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 1v97_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 VLKKLGKDXX XXXXKLDPTY TSATLLFQKH DATA SEQUENCE PPANIQLFQE VPNGQSKEDT VGRPLPHLAA AMQASGEAVY CDDIPRYENE DATA SEQUENCE LFLRLVTSTR AHAKIKSIDV SEAQKVPGFV CFLSADDIPG SNETGLFNDE DATA SEQUENCE TVFAKDTVTC VGHIIGAVVA DTPEHAERAA HVVKVTYEDL PAIITIEDAI DATA SEQUENCE KNNSFYGSEL KIEKGDLKKG FSEADNVVSG ELYIGGQDHF YLETHCTIAI DATA SEQUENCE PKGEEGEMEL FVSTQNAMKT QSFVAKMLGV PVNRILVRVK RMGGGFGGKE DATA SEQUENCE TRSTLVSVAV ALAAYKTGHP VRCMLDRNED MLITGGRHPF LARYKVGFMK DATA SEQUENCE TGTIVALEVD HYSNAGNSRD LSHSIMERAL FHMDNCYKIP NIRGTGRLCK DATA SEQUENCE TNLSSNTAFR GFGGPQALFI AENWMSEVAV TCGLPAEEVR WKNMYKEGDL DATA SEQUENCE THFNQRLEGF SVPRCWDECL KSSQYYARKS EVDKFNKENC WKKRGLCIIP DATA SEQUENCE TKFGISFTVP FLNQAGALIH VYTDGSVLVS HGGTEMGQGL HTKMVQVASK DATA SEQUENCE ALKIPISKIY ISETSTNTVP NSSPTAASVS TDIYGQAVYE ACQTILKRLE DATA SEQUENCE PFKKKNPDGS WEDWVMAAYQ DRVSLSTTGF YRTPNLGYSF ETNSGNAFHY DATA SEQUENCE FTYGVACSEV EIDCLTGDHK NLRTDIVMDV GSSLNPAIDI GQVEGAFVQG DATA SEQUENCE LGLFTLEELH YSPEGSLHTR GPSTYKIPAF GSIPTEFRVS LLRDCPNKKA DATA SEQUENCE IYASKAVGEP PLFLGASVFF AIKDAIRAAR AQHTNNNTKE LFRLDSPATP DATA SEQUENCE EKIRNACVDK FTTLCVTGAP GNCKPWSLRV 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 0.000 177.529 177.584 -0.092 0.000 1.274 3 A CA 0.000 51.961 52.037 -0.127 0.000 0.836 3 A CB 0.000 18.884 19.000 -0.193 0.000 0.831 4 D N 1.215 121.599 120.400 -0.026 0.000 3.134 4 D HA -0.219 4.421 4.640 -0.000 0.000 0.482 4 D C 0.526 176.988 176.300 0.270 0.000 1.049 4 D CA 1.981 56.046 54.000 0.108 0.000 1.379 4 D CB -0.795 40.059 40.800 0.090 0.000 0.865 4 D HN 0.754 nan 8.370 nan 0.000 0.499 5 E N 0.429 120.754 120.200 0.209 0.000 2.480 5 E HA 0.076 4.426 4.350 -0.000 0.000 0.258 5 E C -0.100 176.718 176.600 0.364 0.000 0.984 5 E CA -0.180 56.366 56.400 0.243 0.000 0.930 5 E CB 0.537 30.351 29.700 0.190 0.000 0.936 5 E HN 0.135 nan 8.360 nan 0.000 0.466 6 L N 4.839 126.234 121.223 0.287 0.000 2.272 6 L HA 0.255 4.595 4.340 -0.000 0.000 0.289 6 L C -1.079 176.013 176.870 0.370 0.000 1.032 6 L CA -0.556 54.459 54.840 0.291 0.000 0.810 6 L CB 1.436 43.386 42.059 -0.181 0.000 1.205 6 L HN 0.208 nan 8.230 nan 0.000 0.422 7 V N 7.202 127.457 119.914 0.568 0.000 2.444 7 V HA 0.616 4.736 4.120 -0.000 0.000 0.294 7 V C -0.308 175.981 176.094 0.323 0.000 1.022 7 V CA -0.420 62.051 62.300 0.285 0.000 0.850 7 V CB 0.878 32.852 31.823 0.251 0.000 0.992 7 V HN 0.742 nan 8.190 nan 0.000 0.426 8 F N 2.692 122.630 119.950 -0.019 0.000 2.754 8 F HA 0.899 5.426 4.527 -0.000 0.000 0.320 8 F C -1.866 173.905 175.800 -0.048 0.000 1.156 8 F CA -1.375 56.675 58.000 0.083 0.000 0.950 8 F CB 1.496 40.531 39.000 0.058 0.000 1.388 8 F HN 0.230 nan 8.300 nan 0.000 0.485 9 F N 0.804 120.779 119.950 0.041 0.000 2.546 9 F HA 0.757 5.283 4.527 -0.000 0.000 0.320 9 F C -0.701 175.109 175.800 0.017 0.000 1.076 9 F CA -1.315 56.623 58.000 -0.104 0.000 0.928 9 F CB 2.322 41.249 39.000 -0.122 0.000 1.189 9 F HN 0.367 nan 8.300 nan 0.000 0.465 10 V N 2.841 122.807 119.914 0.087 0.000 2.482 10 V HA 0.295 4.415 4.120 -0.000 0.000 0.295 10 V C -0.617 175.513 176.094 0.061 0.000 1.026 10 V CA -1.322 61.038 62.300 0.101 0.000 0.856 10 V CB 1.431 33.297 31.823 0.073 0.000 1.001 10 V HN 0.815 nan 8.190 nan 0.000 0.424 11 N N 4.038 122.774 118.700 0.061 0.000 2.727 11 N HA -0.222 4.518 4.740 -0.000 0.000 0.249 11 N C 1.233 176.766 175.510 0.039 0.000 1.048 11 N CA 1.671 54.737 53.050 0.026 0.000 0.714 11 N CB -1.061 37.426 38.487 -0.001 0.000 0.959 11 N HN 1.576 nan 8.380 nan 0.000 0.544 12 G N -1.171 107.676 108.800 0.077 0.000 2.234 12 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.260 12 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.260 12 G C 0.057 175.073 174.900 0.193 0.000 0.987 12 G CA 0.893 46.050 45.100 0.095 0.000 0.625 12 G HN 0.678 nan 8.290 nan 0.000 0.532 13 K N 0.888 121.354 120.400 0.109 0.000 2.156 13 K HA 0.518 4.838 4.320 -0.000 0.000 0.271 13 K C 0.345 176.783 176.600 -0.270 0.000 0.995 13 K CA -0.726 55.551 56.287 -0.017 0.000 0.890 13 K CB 0.645 33.102 32.500 -0.072 0.000 1.073 13 K HN 0.157 nan 8.250 nan 0.000 0.454 14 K N 2.861 122.926 120.400 -0.557 0.000 2.298 14 K HA 0.165 4.485 4.320 -0.000 0.000 0.280 14 K C -1.178 174.974 176.600 -0.747 0.000 1.032 14 K CA -0.504 55.032 56.287 -1.253 0.000 0.958 14 K CB 0.911 32.786 32.500 -1.042 0.000 0.978 14 K HN 0.288 nan 8.250 nan 0.000 0.472 15 V N 4.960 124.363 119.914 -0.853 0.000 2.448 15 V HA 0.301 4.421 4.120 -0.000 0.000 0.295 15 V C -0.818 174.985 176.094 -0.484 0.000 1.025 15 V CA -0.916 60.987 62.300 -0.662 0.000 0.859 15 V CB 1.770 32.955 31.823 -1.063 0.000 0.988 15 V HN 0.528 nan 8.190 nan 0.000 0.431 16 V N 3.812 123.576 119.914 -0.250 0.000 2.325 16 V HA 0.412 4.532 4.120 -0.000 0.000 0.280 16 V C -0.274 175.809 176.094 -0.019 0.000 1.016 16 V CA -0.587 61.654 62.300 -0.100 0.000 0.818 16 V CB 1.520 33.305 31.823 -0.063 0.000 1.019 16 V HN 0.911 nan 8.190 nan 0.000 0.434 17 E N 4.067 124.284 120.200 0.029 0.000 2.035 17 E HA 0.332 4.682 4.350 -0.000 0.000 0.271 17 E C 0.853 177.494 176.600 0.069 0.000 0.953 17 E CA -0.181 56.260 56.400 0.069 0.000 0.777 17 E CB 1.019 30.754 29.700 0.058 0.000 1.104 17 E HN 0.515 nan 8.360 nan 0.000 0.408 18 K N 3.006 123.449 120.400 0.072 0.000 2.365 18 K HA 0.066 4.386 4.320 -0.000 0.000 0.199 18 K C -0.049 176.604 176.600 0.089 0.000 1.045 18 K CA 0.483 56.819 56.287 0.083 0.000 0.962 18 K CB 0.263 32.802 32.500 0.065 0.000 0.759 18 K HN 0.339 nan 8.250 nan 0.000 0.469 19 N N 0.866 119.610 118.700 0.073 0.000 2.679 19 N HA 0.149 4.889 4.740 -0.000 0.000 0.302 19 N C -1.228 174.304 175.510 0.038 0.000 1.941 19 N CA -0.104 52.988 53.050 0.070 0.000 0.875 19 N CB 1.443 39.969 38.487 0.065 0.000 1.278 19 N HN 0.035 nan 8.380 nan 0.000 0.490 20 A N 0.639 123.443 122.820 -0.028 0.000 2.488 20 A HA 0.069 4.389 4.320 -0.000 0.000 0.249 20 A C 0.256 177.771 177.584 -0.116 0.000 1.083 20 A CA 0.208 52.142 52.037 -0.170 0.000 0.768 20 A CB 0.399 19.080 19.000 -0.532 0.000 1.017 20 A HN 0.273 nan 8.150 nan 0.000 0.496 21 D N 3.200 123.543 120.400 -0.096 0.000 2.274 21 D HA 0.324 4.964 4.640 -0.000 0.000 0.239 21 D C -1.826 174.410 176.300 -0.107 0.000 1.104 21 D CA -1.817 52.158 54.000 -0.043 0.000 0.840 21 D CB 1.595 42.391 40.800 -0.006 0.000 1.100 21 D HN 0.133 nan 8.370 nan 0.000 0.477 22 P HA -0.130 nan 4.420 nan 0.000 0.218 22 P C 0.463 177.751 177.300 -0.021 0.000 1.146 22 P CA 1.156 64.227 63.100 -0.048 0.000 0.820 22 P CB 0.315 32.170 31.700 0.257 0.000 0.778 23 E N -1.831 118.378 120.200 0.015 0.000 2.478 23 E HA 0.017 4.367 4.350 -0.000 0.000 0.194 23 E C 0.107 176.695 176.600 -0.021 0.000 1.045 23 E CA 0.310 56.725 56.400 0.025 0.000 0.868 23 E CB -0.304 29.418 29.700 0.036 0.000 0.885 23 E HN 0.216 nan 8.360 nan 0.000 0.505 24 T N 2.416 116.932 114.554 -0.063 0.000 2.779 24 T HA 0.087 4.437 4.350 -0.000 0.000 0.296 24 T C 0.398 175.051 174.700 -0.077 0.000 0.938 24 T CA -0.142 61.927 62.100 -0.052 0.000 1.119 24 T CB 0.903 69.755 68.868 -0.027 0.000 0.891 24 T HN 0.150 nan 8.240 nan 0.000 0.526 25 T N 1.464 116.001 114.554 -0.028 0.000 2.874 25 T HA 0.337 4.687 4.350 -0.000 0.000 0.281 25 T C 1.358 176.052 174.700 -0.010 0.000 0.994 25 T CA -1.020 61.064 62.100 -0.026 0.000 1.015 25 T CB 0.796 69.672 68.868 0.014 0.000 1.028 25 T HN 0.256 nan 8.240 nan 0.000 0.523 26 L N 1.308 122.511 121.223 -0.034 0.000 2.083 26 L HA 0.061 4.401 4.340 -0.000 0.000 0.209 26 L C 2.146 179.062 176.870 0.076 0.000 1.083 26 L CA 1.529 56.365 54.840 -0.007 0.000 0.752 26 L CB -1.333 40.700 42.059 -0.044 0.000 0.899 26 L HN 0.774 nan 8.230 nan 0.000 0.433 27 L N 0.037 121.292 121.223 0.055 0.000 2.012 27 L HA -0.135 4.205 4.340 -0.000 0.000 0.210 27 L C 2.516 179.422 176.870 0.060 0.000 1.073 27 L CA 2.248 57.123 54.840 0.058 0.000 0.748 27 L CB -1.248 40.843 42.059 0.054 0.000 0.891 27 L HN 0.288 nan 8.230 nan 0.000 0.431 28 A N -1.739 121.114 122.820 0.054 0.000 1.902 28 A HA -0.276 4.044 4.320 -0.000 0.000 0.217 28 A C 2.306 179.919 177.584 0.048 0.000 1.181 28 A CA 1.790 53.846 52.037 0.031 0.000 0.623 28 A CB -1.189 17.815 19.000 0.006 0.000 0.818 28 A HN 0.613 nan 8.150 nan 0.000 0.443 29 Y N 0.333 120.623 120.300 -0.018 0.000 2.145 29 Y HA -0.156 4.394 4.550 -0.000 0.000 0.286 29 Y C 2.079 177.994 175.900 0.025 0.000 1.145 29 Y CA 1.846 59.950 58.100 0.006 0.000 1.148 29 Y CB -0.234 38.243 38.460 0.029 0.000 0.981 29 Y HN 0.229 nan 8.280 nan 0.000 0.507 30 L N -0.497 120.827 121.223 0.168 0.000 2.017 30 L HA -0.267 4.073 4.340 -0.000 0.000 0.208 30 L C 2.551 179.422 176.870 0.001 0.000 1.073 30 L CA 1.784 56.679 54.840 0.092 0.000 0.745 30 L CB -0.474 41.642 42.059 0.094 0.000 0.894 30 L HN 0.144 nan 8.230 nan 0.000 0.432 31 R N -0.452 120.049 120.500 0.002 0.000 2.073 31 R HA -0.049 4.291 4.340 -0.000 0.000 0.229 31 R C 2.343 178.620 176.300 -0.037 0.000 1.120 31 R CA 1.045 57.139 56.100 -0.009 0.000 0.967 31 R CB -0.132 30.177 30.300 0.015 0.000 0.862 31 R HN 0.342 nan 8.270 nan 0.000 0.436 32 R N -0.212 120.249 120.500 -0.065 0.000 2.189 32 R HA 0.055 4.395 4.340 -0.000 0.000 0.203 32 R C 1.857 178.066 176.300 -0.153 0.000 1.012 32 R CA 0.583 56.633 56.100 -0.083 0.000 1.015 32 R CB 0.162 30.414 30.300 -0.080 0.000 0.938 32 R HN -0.093 nan 8.270 nan 0.000 0.472 33 K N 0.813 121.044 120.400 -0.281 0.000 2.262 33 K HA 0.175 4.495 4.320 -0.000 0.000 0.200 33 K C 1.519 177.927 176.600 -0.320 0.000 1.058 33 K CA 0.730 56.770 56.287 -0.411 0.000 0.974 33 K CB 0.319 32.261 32.500 -0.931 0.000 0.910 33 K HN -0.005 nan 8.250 nan 0.000 0.484 34 L N -0.368 120.689 121.223 -0.276 0.000 2.567 34 L HA 0.269 4.609 4.340 -0.000 0.000 0.225 34 L C 0.800 177.616 176.870 -0.089 0.000 1.119 34 L CA 0.446 55.198 54.840 -0.146 0.000 0.871 34 L CB -0.110 41.910 42.059 -0.064 0.000 1.036 34 L HN 0.511 nan 8.230 nan 0.000 0.459 35 G N 1.382 110.131 108.800 -0.084 0.000 2.198 35 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.260 35 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.260 35 G C 0.121 174.999 174.900 -0.038 0.000 1.025 35 G CA -0.018 45.048 45.100 -0.057 0.000 0.769 35 G HN 0.291 nan 8.290 nan 0.000 0.507 36 L N -0.204 121.003 121.223 -0.027 0.000 2.353 36 L HA 0.462 4.802 4.340 -0.000 0.000 0.269 36 L C 1.441 178.307 176.870 -0.006 0.000 1.085 36 L CA -0.839 53.992 54.840 -0.014 0.000 0.938 36 L CB 0.992 43.050 42.059 -0.003 0.000 1.312 36 L HN 0.040 nan 8.230 nan 0.000 0.429 37 R N 1.033 121.531 120.500 -0.004 0.000 2.320 37 R HA 0.074 4.414 4.340 -0.000 0.000 0.211 37 R C 1.970 178.270 176.300 -0.000 0.000 0.931 37 R CA 0.351 56.456 56.100 0.008 0.000 1.071 37 R CB 0.084 30.399 30.300 0.025 0.000 1.025 37 R HN 0.714 nan 8.270 nan 0.000 0.495 38 G N -0.090 108.703 108.800 -0.012 0.000 2.408 38 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.217 38 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.217 38 G C 0.417 175.275 174.900 -0.071 0.000 1.150 38 G CA 0.467 45.551 45.100 -0.027 0.000 0.776 38 G HN 0.227 nan 8.290 nan 0.000 0.542 39 T N 2.368 116.889 114.554 -0.054 0.000 2.814 39 T HA 0.422 4.772 4.350 -0.000 0.000 0.297 39 T C -0.005 174.637 174.700 -0.097 0.000 0.956 39 T CA -0.157 61.905 62.100 -0.063 0.000 1.123 39 T CB 1.419 70.277 68.868 -0.016 0.000 0.902 39 T HN 0.012 nan 8.240 nan 0.000 0.528 40 K N 1.956 122.250 120.400 -0.176 0.000 2.211 40 K HA 0.558 4.878 4.320 -0.000 0.000 0.237 40 K C -0.657 175.928 176.600 -0.025 0.000 1.002 40 K CA -1.165 54.987 56.287 -0.225 0.000 0.885 40 K CB 1.687 33.692 32.500 -0.824 0.000 1.136 40 K HN 0.388 nan 8.250 nan 0.000 0.448 41 L N 0.382 121.671 121.223 0.110 0.000 2.280 41 L HA 0.479 4.819 4.340 -0.000 0.000 0.287 41 L C 0.631 177.673 176.870 0.287 0.000 1.023 41 L CA 0.479 55.422 54.840 0.173 0.000 0.819 41 L CB 1.215 43.368 42.059 0.156 0.000 1.212 41 L HN 0.822 nan 8.230 nan 0.000 0.420 42 G N 2.153 111.106 108.800 0.255 0.000 2.759 42 G HA2 0.111 4.071 3.960 -0.000 0.000 0.208 42 G HA3 0.111 4.071 3.960 -0.000 0.000 0.208 42 G C 0.722 175.742 174.900 0.200 0.000 1.076 42 G CA 0.704 45.971 45.100 0.279 0.000 0.789 42 G HN 0.892 nan 8.290 nan 0.000 0.546 43 C N -3.713 115.719 119.300 0.221 0.000 4.914 43 C HA 0.533 4.993 4.460 -0.000 0.000 0.505 43 C C 1.971 177.137 174.990 0.295 0.000 1.350 43 C CA 0.646 59.811 59.018 0.245 0.000 2.421 43 C CB 0.195 28.114 27.740 0.299 0.000 3.334 43 C HN 1.509 nan 8.230 nan 0.000 0.512 44 G N 2.660 111.615 108.800 0.259 0.000 2.155 44 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.257 44 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.257 44 G C 0.171 175.296 174.900 0.376 0.000 0.983 44 G CA 1.146 46.414 45.100 0.281 0.000 0.676 44 G HN 1.161 nan 8.290 nan 0.000 0.528 45 E N -1.802 118.571 120.200 0.289 0.000 2.810 45 E HA 0.454 4.804 4.350 -0.000 0.000 0.214 45 E C 1.429 178.109 176.600 0.133 0.000 0.980 45 E CA 0.175 56.688 56.400 0.189 0.000 1.159 45 E CB 0.324 30.012 29.700 -0.021 0.000 1.047 45 E HN 1.470 nan 8.360 nan 0.000 0.484 46 G N 0.637 109.531 108.800 0.158 0.000 2.184 46 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.264 46 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.264 46 G C 0.923 175.906 174.900 0.140 0.000 0.975 46 G CA 0.172 45.355 45.100 0.139 0.000 0.642 46 G HN 0.563 nan 8.290 nan 0.000 0.536 47 G N -0.392 108.502 108.800 0.157 0.000 2.595 47 G HA2 0.174 4.134 3.960 -0.000 0.000 0.213 47 G HA3 0.174 4.134 3.960 -0.000 0.000 0.213 47 G C 1.950 176.973 174.900 0.204 0.000 1.141 47 G CA 1.963 47.159 45.100 0.160 0.000 0.806 47 G HN 1.483 nan 8.290 nan 0.000 0.530 48 C N -1.122 118.330 119.300 0.254 0.000 2.590 48 C HA 0.520 4.980 4.460 -0.000 0.000 0.272 48 C C 2.386 177.536 174.990 0.267 0.000 1.338 48 C CA 0.627 59.824 59.018 0.299 0.000 1.746 48 C CB -0.363 27.608 27.740 0.385 0.000 2.020 48 C HN 1.113 nan 8.230 nan 0.000 0.531 49 G N 0.772 109.703 108.800 0.219 0.000 2.168 49 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.263 49 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.263 49 G C 1.222 176.225 174.900 0.171 0.000 0.977 49 G CA 0.775 45.992 45.100 0.194 0.000 0.659 49 G HN 1.488 nan 8.290 nan 0.000 0.533 50 A N -0.287 122.634 122.820 0.168 0.000 2.121 50 A HA 0.142 4.462 4.320 -0.000 0.000 0.218 50 A C 2.463 180.063 177.584 0.028 0.000 1.154 50 A CA 2.319 54.410 52.037 0.091 0.000 0.679 50 A CB -0.793 18.268 19.000 0.103 0.000 0.795 50 A HN 1.816 nan 8.150 nan 0.000 0.458 51 C N -1.899 117.442 119.300 0.068 0.000 2.693 51 C HA 0.351 4.811 4.460 -0.000 0.000 0.286 51 C C 0.808 175.830 174.990 0.054 0.000 1.277 51 C CA -0.437 58.610 59.018 0.049 0.000 1.705 51 C CB -2.120 25.664 27.740 0.073 0.000 1.879 51 C HN 0.318 nan 8.230 nan 0.000 0.607 52 T N 2.852 117.446 114.554 0.067 0.000 2.902 52 T HA 0.408 4.758 4.350 -0.000 0.000 0.301 52 T C 0.314 175.037 174.700 0.037 0.000 1.012 52 T CA 0.860 63.000 62.100 0.066 0.000 1.151 52 T CB 0.672 69.593 68.868 0.089 0.000 0.946 52 T HN 0.951 nan 8.240 nan 0.000 0.542 53 V N 1.152 121.082 119.914 0.027 0.000 3.167 53 V HA 0.774 4.894 4.120 -0.000 0.000 0.310 53 V C -0.679 175.407 176.094 -0.013 0.000 1.207 53 V CA -1.465 60.837 62.300 0.003 0.000 1.059 53 V CB 2.362 34.187 31.823 0.003 0.000 1.079 53 V HN 0.857 nan 8.190 nan 0.000 0.446 54 M N 1.976 121.560 119.600 -0.026 0.000 2.436 54 M HA 0.705 5.185 4.480 -0.000 0.000 0.331 54 M C -1.839 174.381 176.300 -0.133 0.000 1.135 54 M CA -0.712 54.552 55.300 -0.060 0.000 0.987 54 M CB 1.661 34.284 32.600 0.037 0.000 1.687 54 M HN 0.751 nan 8.290 nan 0.000 0.445 55 L N 2.694 123.695 121.223 -0.370 0.000 2.362 55 L HA 0.629 4.969 4.340 -0.000 0.000 0.271 55 L C -0.775 175.848 176.870 -0.413 0.000 1.002 55 L CA -0.621 53.944 54.840 -0.457 0.000 0.818 55 L CB 2.336 43.914 42.059 -0.802 0.000 1.298 55 L HN 0.687 nan 8.230 nan 0.000 0.420 56 S N 1.774 117.454 115.700 -0.035 0.000 2.536 56 S HA 0.757 5.227 4.470 -0.000 0.000 0.287 56 S C -1.105 173.672 174.600 0.294 0.000 1.101 56 S CA -0.865 57.434 58.200 0.165 0.000 0.950 56 S CB 2.355 65.831 63.200 0.460 0.000 1.056 56 S HN 0.672 nan 8.310 nan 0.000 0.481 57 K N 0.507 121.002 120.400 0.159 0.000 2.579 57 K HA 0.482 4.802 4.320 -0.000 0.000 0.284 57 K C -1.881 174.671 176.600 -0.081 0.000 0.990 57 K CA -1.016 55.397 56.287 0.210 0.000 0.880 57 K CB 0.769 33.431 32.500 0.269 0.000 1.488 57 K HN 0.454 nan 8.250 nan 0.000 0.425 58 Y N 1.598 121.823 120.300 -0.125 0.000 2.359 58 Y HA 0.260 4.810 4.550 -0.000 0.000 0.334 58 Y C -0.855 174.983 175.900 -0.103 0.000 1.058 58 Y CA -0.297 57.675 58.100 -0.214 0.000 1.244 58 Y CB 1.113 39.494 38.460 -0.132 0.000 1.187 58 Y HN 0.817 nan 8.280 nan 0.000 0.510 59 D N 4.952 124.896 120.400 -0.760 0.000 2.428 59 D HA 0.159 4.799 4.640 -0.000 0.000 0.221 59 D C -0.527 175.288 176.300 -0.807 0.000 1.123 59 D CA -0.630 53.027 54.000 -0.572 0.000 0.869 59 D CB 0.455 41.042 40.800 -0.354 0.000 1.032 59 D HN 0.418 nan 8.370 nan 0.000 0.506 60 R N 4.103 124.274 120.500 -0.548 0.000 3.710 60 R HA 0.283 4.623 4.340 -0.000 0.000 0.201 60 R C -0.627 175.569 176.300 -0.173 0.000 1.641 60 R CA 0.047 55.962 56.100 -0.309 0.000 1.390 60 R CB -0.789 29.505 30.300 -0.009 0.000 1.341 60 R HN 0.592 nan 8.270 nan 0.000 0.728 61 L N 0.284 121.387 121.223 -0.200 0.000 4.293 61 L HA 0.178 4.518 4.340 -0.000 0.000 0.441 61 L C 0.260 177.052 176.870 -0.129 0.000 0.914 61 L CA 0.857 55.621 54.840 -0.126 0.000 1.791 61 L CB 0.259 42.251 42.059 -0.112 0.000 2.207 61 L HN 0.470 nan 8.230 nan 0.000 0.614 62 Q N -0.584 119.106 119.800 -0.183 0.000 2.185 62 Q HA 0.209 4.549 4.340 -0.000 0.000 0.234 62 Q C -0.413 175.488 176.000 -0.166 0.000 0.819 62 Q CA 0.512 56.222 55.803 -0.155 0.000 0.961 62 Q CB 1.176 29.816 28.738 -0.163 0.000 1.140 62 Q HN 0.396 nan 8.270 nan 0.000 0.492 63 D N 1.694 121.949 120.400 -0.240 0.000 2.735 63 D HA -0.205 4.435 4.640 -0.000 0.000 0.235 63 D C -0.779 175.454 176.300 -0.112 0.000 1.175 63 D CA 1.213 55.122 54.000 -0.152 0.000 0.683 63 D CB -0.536 40.274 40.800 0.016 0.000 1.008 63 D HN 0.179 nan 8.370 nan 0.000 0.416 64 K N 0.541 120.752 120.400 -0.315 0.000 2.607 64 K HA 0.409 4.729 4.320 -0.000 0.000 0.287 64 K C -0.995 175.432 176.600 -0.287 0.000 0.996 64 K CA -1.021 55.158 56.287 -0.180 0.000 0.876 64 K CB 0.831 33.239 32.500 -0.154 0.000 1.496 64 K HN 0.003 nan 8.250 nan 0.000 0.415 65 I N 4.505 124.913 120.570 -0.269 0.000 2.441 65 I HA 0.265 4.435 4.170 -0.000 0.000 0.287 65 I C 0.436 176.260 176.117 -0.488 0.000 1.049 65 I CA -0.272 60.744 61.300 -0.473 0.000 1.381 65 I CB 0.241 37.875 38.000 -0.609 0.000 1.409 65 I HN 0.504 nan 8.210 nan 0.000 0.523 66 I N 4.229 124.524 120.570 -0.457 0.000 2.603 66 I HA 0.546 4.716 4.170 -0.000 0.000 0.300 66 I C -0.751 175.162 176.117 -0.340 0.000 1.017 66 I CA -0.595 60.512 61.300 -0.321 0.000 1.098 66 I CB 2.265 40.208 38.000 -0.096 0.000 1.279 66 I HN 0.372 nan 8.210 nan 0.000 0.437 67 H N 5.759 124.887 119.070 0.097 0.000 2.529 67 H HA 0.651 5.207 4.556 -0.000 0.000 0.348 67 H C -1.224 174.204 175.328 0.167 0.000 1.079 67 H CA -0.446 55.635 56.048 0.055 0.000 1.198 67 H CB 1.953 31.697 29.762 -0.030 0.000 1.521 67 H HN 0.747 nan 8.280 nan 0.000 0.514 68 F N -0.611 119.397 119.950 0.097 0.000 2.668 68 F HA 0.528 5.055 4.527 -0.000 0.000 0.309 68 F C -0.467 175.359 175.800 0.042 0.000 1.117 68 F CA -1.209 56.812 58.000 0.034 0.000 0.951 68 F CB 1.073 40.077 39.000 0.006 0.000 1.323 68 F HN 0.375 nan 8.300 nan 0.000 0.451 69 S N 1.353 117.149 115.700 0.159 0.000 2.672 69 S HA 0.962 5.432 4.470 -0.000 0.000 0.276 69 S C -0.530 174.165 174.600 0.158 0.000 1.207 69 S CA -0.022 58.221 58.200 0.071 0.000 1.002 69 S CB 1.518 64.746 63.200 0.046 0.000 0.998 69 S HN 1.817 nan 8.310 nan 0.000 0.542 70 A N 1.246 124.123 122.820 0.095 0.000 2.612 70 A HA 0.611 4.931 4.320 -0.000 0.000 0.293 70 A C -1.294 176.345 177.584 0.092 0.000 1.075 70 A CA -1.052 51.062 52.037 0.129 0.000 0.680 70 A CB 0.893 19.983 19.000 0.150 0.000 1.279 70 A HN 0.777 nan 8.150 nan 0.000 0.411 71 N N 1.349 120.111 118.700 0.104 0.000 2.408 71 N HA 0.345 5.085 4.740 -0.000 0.000 0.257 71 N C 1.125 176.684 175.510 0.082 0.000 1.064 71 N CA 0.555 53.664 53.050 0.098 0.000 0.952 71 N CB 1.760 40.316 38.487 0.115 0.000 1.093 71 N HN 0.786 nan 8.380 nan 0.000 0.490 72 A N 1.785 124.645 122.820 0.067 0.000 2.070 72 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 72 A C 2.235 179.854 177.584 0.058 0.000 1.159 72 A CA 1.142 53.209 52.037 0.051 0.000 0.656 72 A CB -0.587 18.440 19.000 0.044 0.000 0.800 72 A HN 0.882 nan 8.150 nan 0.000 0.453 73 C N -2.224 117.124 119.300 0.081 0.000 2.456 73 C HA 0.297 4.757 4.460 -0.000 0.000 0.279 73 C C 1.983 177.032 174.990 0.099 0.000 1.427 73 C CA 0.647 59.720 59.018 0.092 0.000 1.778 73 C CB -1.396 26.417 27.740 0.122 0.000 1.842 73 C HN 0.452 nan 8.230 nan 0.000 0.531 74 L N 0.520 121.803 121.223 0.100 0.000 2.701 74 L HA 0.356 4.696 4.340 -0.000 0.000 0.238 74 L C 1.546 178.468 176.870 0.087 0.000 1.106 74 L CA 0.249 55.154 54.840 0.109 0.000 0.898 74 L CB -0.196 41.938 42.059 0.125 0.000 1.188 74 L HN 0.225 nan 8.230 nan 0.000 0.508 75 A N 1.653 124.509 122.820 0.061 0.000 2.350 75 A HA 0.459 4.779 4.320 -0.000 0.000 0.293 75 A C -2.399 175.163 177.584 -0.037 0.000 1.231 75 A CA -1.121 50.934 52.037 0.030 0.000 0.883 75 A CB -0.416 18.597 19.000 0.020 0.000 1.133 75 A HN -0.095 nan 8.150 nan 0.000 0.533 76 P HA 0.123 nan 4.420 nan 0.000 0.276 76 P C 1.159 178.254 177.300 -0.342 0.000 1.230 76 P CA -0.336 62.654 63.100 -0.182 0.000 0.776 76 P CB 0.599 32.193 31.700 -0.176 0.000 0.888 77 I N -0.195 120.113 120.570 -0.437 0.000 2.567 77 I HA -0.193 3.977 4.170 -0.000 0.000 0.257 77 I C 1.079 176.767 176.117 -0.714 0.000 1.184 77 I CA 1.367 62.292 61.300 -0.624 0.000 1.451 77 I CB -0.917 36.650 38.000 -0.722 0.000 1.089 77 I HN 0.166 nan 8.210 nan 0.000 0.441 78 C N 1.967 120.745 119.300 -0.869 0.000 2.466 78 C HA -0.025 4.435 4.460 -0.000 0.000 0.283 78 C C 2.707 177.306 174.990 -0.651 0.000 1.472 78 C CA 1.413 59.749 59.018 -1.136 0.000 1.765 78 C CB -1.855 24.708 27.740 -1.961 0.000 1.724 78 C HN 0.732 nan 8.230 nan 0.000 0.560 79 T N -2.851 111.482 114.554 -0.369 0.000 3.086 79 T HA 0.219 4.569 4.350 -0.000 0.000 0.250 79 T C 0.932 175.663 174.700 0.051 0.000 1.074 79 T CA 0.397 62.499 62.100 0.004 0.000 0.988 79 T CB -0.242 68.692 68.868 0.111 0.000 0.988 79 T HN 0.464 nan 8.240 nan 0.000 0.530 80 L N 0.909 122.067 121.223 -0.107 0.000 2.741 80 L HA 0.374 4.714 4.340 -0.000 0.000 0.237 80 L C 0.629 177.570 176.870 0.118 0.000 1.178 80 L CA -0.651 54.150 54.840 -0.066 0.000 0.973 80 L CB -0.754 41.059 42.059 -0.411 0.000 1.255 80 L HN 0.288 nan 8.230 nan 0.000 0.498 81 H N 1.010 120.190 119.070 0.183 0.000 3.070 81 H HA -0.036 4.520 4.556 -0.000 0.000 0.313 81 H C 0.508 176.106 175.328 0.449 0.000 0.997 81 H CA 0.746 56.997 56.048 0.338 0.000 1.438 81 H CB -0.118 29.909 29.762 0.441 0.000 1.455 81 H HN 0.215 nan 8.280 nan 0.000 0.575 82 H N 1.114 120.159 119.070 -0.042 0.000 2.862 82 H HA -0.160 4.396 4.556 -0.000 0.000 0.290 82 H C -0.721 174.721 175.328 0.189 0.000 1.211 82 H CA 0.206 56.276 56.048 0.037 0.000 1.140 82 H CB -1.401 28.333 29.762 -0.047 0.000 1.341 82 H HN 0.173 nan 8.280 nan 0.000 0.392 83 V N 0.140 120.269 119.914 0.358 0.000 2.715 83 V HA 0.700 4.820 4.120 -0.000 0.000 0.310 83 V C 0.203 176.475 176.094 0.297 0.000 1.054 83 V CA -0.225 62.256 62.300 0.302 0.000 0.928 83 V CB 1.955 33.920 31.823 0.235 0.000 1.007 83 V HN 0.384 nan 8.190 nan 0.000 0.437 84 A N 3.783 126.740 122.820 0.228 0.000 2.271 84 A HA 0.780 5.100 4.320 -0.000 0.000 0.317 84 A C -0.661 177.020 177.584 0.162 0.000 1.245 84 A CA -0.437 51.706 52.037 0.177 0.000 0.857 84 A CB 0.953 19.949 19.000 -0.007 0.000 1.175 84 A HN 0.637 nan 8.150 nan 0.000 0.512 85 V N 2.254 122.282 119.914 0.191 0.000 2.539 85 V HA 0.587 4.707 4.120 -0.000 0.000 0.292 85 V C 0.262 176.407 176.094 0.085 0.000 1.045 85 V CA -0.217 62.156 62.300 0.121 0.000 0.945 85 V CB 1.730 33.653 31.823 0.167 0.000 0.993 85 V HN 0.895 nan 8.190 nan 0.000 0.464 86 T N 2.962 117.536 114.554 0.035 0.000 2.840 86 T HA 0.542 4.892 4.350 -0.000 0.000 0.287 86 T C 0.079 174.751 174.700 -0.047 0.000 0.991 86 T CA -0.508 61.586 62.100 -0.010 0.000 0.964 86 T CB 1.457 70.315 68.868 -0.017 0.000 0.954 86 T HN 0.952 nan 8.240 nan 0.000 0.438 87 T N -0.695 113.824 114.554 -0.058 0.000 2.922 87 T HA 0.471 4.821 4.350 -0.000 0.000 0.281 87 T C 1.567 176.194 174.700 -0.123 0.000 1.005 87 T CA -0.620 61.443 62.100 -0.063 0.000 0.982 87 T CB 1.090 69.943 68.868 -0.025 0.000 1.158 87 T HN 0.188 nan 8.240 nan 0.000 0.566 88 V N 1.415 121.268 119.914 -0.100 0.000 2.392 88 V HA -0.153 3.967 4.120 -0.000 0.000 0.249 88 V C 2.552 178.579 176.094 -0.112 0.000 1.059 88 V CA 2.516 64.746 62.300 -0.118 0.000 1.051 88 V CB -1.049 30.736 31.823 -0.063 0.000 0.658 88 V HN 0.954 nan 8.190 nan 0.000 0.455 89 E N 0.060 120.215 120.200 -0.076 0.000 2.418 89 E HA -0.032 4.318 4.350 -0.000 0.000 0.197 89 E C 1.994 178.550 176.600 -0.074 0.000 1.026 89 E CA 1.100 57.464 56.400 -0.059 0.000 0.862 89 E CB -0.587 29.091 29.700 -0.036 0.000 0.799 89 E HN 0.633 nan 8.360 nan 0.000 0.518 90 G N 2.084 110.819 108.800 -0.107 0.000 2.813 90 G HA2 0.046 4.005 3.960 -0.000 0.000 0.209 90 G HA3 0.046 4.005 3.960 -0.000 0.000 0.209 90 G C 1.609 176.411 174.900 -0.163 0.000 1.150 90 G CA 0.413 45.447 45.100 -0.110 0.000 0.785 90 G HN 0.437 nan 8.290 nan 0.000 0.535 91 I N -3.566 116.857 120.570 -0.246 0.000 4.070 91 I HA 0.581 4.751 4.170 -0.000 0.000 0.328 91 I C 0.699 176.777 176.117 -0.065 0.000 1.298 91 I CA 0.214 61.340 61.300 -0.289 0.000 1.173 91 I CB 0.824 38.363 38.000 -0.769 0.000 1.051 91 I HN 0.063 nan 8.210 nan 0.000 0.409 92 G N 0.860 109.632 108.800 -0.047 0.000 2.321 92 G HA2 0.442 4.402 3.960 -0.000 0.000 0.298 92 G HA3 0.442 4.402 3.960 -0.000 0.000 0.298 92 G C -1.299 173.602 174.900 0.002 0.000 1.385 92 G CA 0.034 45.144 45.100 0.015 0.000 0.856 92 G HN 0.585 nan 8.290 nan 0.000 0.584 93 S N -2.342 113.366 115.700 0.014 0.000 2.615 93 S HA 0.645 5.115 4.470 -0.000 0.000 0.268 93 S C 0.951 175.560 174.600 0.014 0.000 1.146 93 S CA 0.876 59.082 58.200 0.009 0.000 0.818 93 S CB 1.068 64.267 63.200 -0.001 0.000 1.111 93 S HN 2.143 nan 8.310 nan 0.000 0.465 94 T N -0.744 113.819 114.554 0.014 0.000 3.035 94 T HA 0.092 4.442 4.350 -0.000 0.000 0.268 94 T C 1.228 175.933 174.700 0.008 0.000 1.109 94 T CA 0.880 62.989 62.100 0.015 0.000 1.119 94 T CB -0.526 68.354 68.868 0.019 0.000 0.900 94 T HN 0.656 nan 8.240 nan 0.000 0.503 95 K N 1.062 121.464 120.400 0.003 0.000 2.167 95 K HA 0.010 4.330 4.320 -0.000 0.000 0.203 95 K C 2.397 178.997 176.600 -0.001 0.000 1.052 95 K CA 1.599 57.884 56.287 -0.003 0.000 0.956 95 K CB -0.062 32.434 32.500 -0.008 0.000 0.735 95 K HN 0.664 nan 8.250 nan 0.000 0.451 96 T N -1.705 112.851 114.554 0.004 0.000 3.507 96 T HA 0.173 4.523 4.350 -0.000 0.000 0.197 96 T C 0.284 174.992 174.700 0.012 0.000 0.847 96 T CA -0.469 61.634 62.100 0.006 0.000 1.531 96 T CB 0.135 69.007 68.868 0.007 0.000 1.834 96 T HN 0.001 nan 8.240 nan 0.000 0.433 97 R N -0.210 120.301 120.500 0.018 0.000 2.604 97 R HA 0.569 4.909 4.340 -0.000 0.000 0.270 97 R C -1.695 174.625 176.300 0.034 0.000 1.052 97 R CA -0.734 55.380 56.100 0.023 0.000 0.902 97 R CB 1.475 31.788 30.300 0.021 0.000 1.233 97 R HN 0.424 nan 8.270 nan 0.000 0.455 98 L N 3.626 124.870 121.223 0.035 0.000 2.417 98 L HA 0.270 4.610 4.340 -0.000 0.000 0.268 98 L C 0.765 177.683 176.870 0.079 0.000 1.158 98 L CA -0.480 54.393 54.840 0.055 0.000 0.819 98 L CB 0.661 42.745 42.059 0.041 0.000 1.112 98 L HN 0.544 nan 8.230 nan 0.000 0.458 99 H N 4.095 123.182 119.070 0.029 0.000 2.615 99 H HA 0.111 4.667 4.556 -0.000 0.000 0.363 99 H C -1.934 173.453 175.328 0.098 0.000 1.148 99 H CA -1.566 54.519 56.048 0.063 0.000 1.401 99 H CB 1.890 31.682 29.762 0.051 0.000 1.461 99 H HN 0.325 nan 8.280 nan 0.000 0.588 100 P HA -0.197 nan 4.420 nan 0.000 0.216 100 P C 1.736 179.270 177.300 0.389 0.000 1.154 100 P CA 1.145 64.297 63.100 0.087 0.000 0.865 100 P CB 0.252 32.027 31.700 0.126 0.000 0.789 101 V N -0.404 119.912 119.914 0.671 0.000 2.287 101 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 101 V C 2.449 178.803 176.094 0.433 0.000 1.053 101 V CA 1.957 64.599 62.300 0.569 0.000 1.027 101 V CB -1.295 30.703 31.823 0.292 0.000 0.646 101 V HN 0.215 nan 8.190 nan 0.000 0.447 102 Q N -0.369 119.606 119.800 0.291 0.000 2.079 102 Q HA -0.244 4.096 4.340 -0.000 0.000 0.200 102 Q C 2.372 178.407 176.000 0.058 0.000 0.974 102 Q CA 1.789 57.687 55.803 0.159 0.000 0.840 102 Q CB -0.237 28.570 28.738 0.115 0.000 0.898 102 Q HN 0.752 nan 8.270 nan 0.000 0.430 103 E N 1.179 121.386 120.200 0.012 0.000 2.077 103 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 103 E C 1.983 178.389 176.600 -0.323 0.000 0.989 103 E CA 0.935 57.262 56.400 -0.121 0.000 0.800 103 E CB 0.144 29.764 29.700 -0.133 0.000 0.746 103 E HN 0.246 nan 8.360 nan 0.000 0.452 104 R N 0.181 120.440 120.500 -0.402 0.000 2.090 104 R HA -0.028 4.312 4.340 -0.000 0.000 0.228 104 R C 2.613 178.648 176.300 -0.442 0.000 1.110 104 R CA 1.175 56.846 56.100 -0.715 0.000 0.973 104 R CB -0.381 29.559 30.300 -0.600 0.000 0.869 104 R HN 0.314 nan 8.270 nan 0.000 0.440 105 I N 0.784 121.231 120.570 -0.206 0.000 2.394 105 I HA -0.197 3.973 4.170 -0.000 0.000 0.251 105 I C 2.190 178.157 176.117 -0.251 0.000 1.136 105 I CA 0.973 62.083 61.300 -0.316 0.000 1.425 105 I CB -0.024 37.881 38.000 -0.159 0.000 1.079 105 I HN 0.135 nan 8.210 nan 0.000 0.425 106 A N 0.724 123.435 122.820 -0.182 0.000 1.854 106 A HA -0.184 4.136 4.320 -0.000 0.000 0.214 106 A C 2.272 179.718 177.584 -0.231 0.000 1.192 106 A CA 1.494 53.444 52.037 -0.145 0.000 0.611 106 A CB -0.475 18.480 19.000 -0.076 0.000 0.832 106 A HN 0.359 nan 8.150 nan 0.000 0.442 107 K N 0.659 120.896 120.400 -0.271 0.000 2.362 107 K HA -0.060 4.260 4.320 -0.000 0.000 0.200 107 K C 1.797 178.062 176.600 -0.557 0.000 1.046 107 K CA 1.266 57.387 56.287 -0.277 0.000 0.952 107 K CB -0.096 32.389 32.500 -0.024 0.000 0.753 107 K HN 0.630 nan 8.250 nan 0.000 0.466 108 S N -0.284 115.012 115.700 -0.673 0.000 2.593 108 S HA -0.019 4.451 4.470 -0.000 0.000 0.217 108 S C -0.000 174.343 174.600 -0.428 0.000 0.966 108 S CA -0.242 57.405 58.200 -0.922 0.000 0.914 108 S CB -0.278 62.326 63.200 -0.994 0.000 0.776 108 S HN 0.294 nan 8.310 nan 0.000 0.523 109 H N -0.584 118.405 119.070 -0.135 0.000 2.903 109 H HA -0.130 4.426 4.556 -0.000 0.000 0.285 109 H C 0.965 176.240 175.328 -0.087 0.000 1.231 109 H CA 0.587 56.600 56.048 -0.058 0.000 1.135 109 H CB -1.875 27.884 29.762 -0.006 0.000 1.328 109 H HN 0.611 nan 8.280 nan 0.000 0.388 110 G N -0.219 108.516 108.800 -0.108 0.000 3.088 110 G HA2 0.191 4.151 3.960 -0.000 0.000 0.212 110 G HA3 0.191 4.151 3.960 -0.000 0.000 0.212 110 G C 0.436 175.285 174.900 -0.085 0.000 1.173 110 G CA 0.753 45.776 45.100 -0.129 0.000 0.779 110 G HN 0.339 nan 8.290 nan 0.000 0.540 111 S N -0.824 114.844 115.700 -0.052 0.000 2.707 111 S HA 0.493 4.962 4.470 -0.000 0.000 0.303 111 S C 0.342 174.907 174.600 -0.059 0.000 1.132 111 S CA -0.634 57.538 58.200 -0.046 0.000 1.046 111 S CB 1.750 64.917 63.200 -0.055 0.000 1.004 111 S HN 0.330 nan 8.310 nan 0.000 0.483 112 Q N 1.699 121.477 119.800 -0.038 0.000 2.453 112 Q HA 0.092 4.432 4.340 -0.000 0.000 0.192 112 Q C 2.253 178.206 176.000 -0.079 0.000 0.965 112 Q CA 0.895 56.682 55.803 -0.026 0.000 0.836 112 Q CB -0.440 28.330 28.738 0.054 0.000 1.069 112 Q HN 0.967 nan 8.270 nan 0.000 0.594 113 C N -0.473 118.847 119.300 0.034 0.000 2.446 113 C HA 0.328 4.788 4.460 -0.000 0.000 0.279 113 C C 1.729 176.830 174.990 0.185 0.000 1.366 113 C CA 0.432 59.505 59.018 0.092 0.000 1.763 113 C CB -1.040 26.765 27.740 0.109 0.000 1.929 113 C HN 0.885 nan 8.230 nan 0.000 0.509 114 G N -0.584 108.296 108.800 0.134 0.000 2.179 114 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.260 114 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.260 114 G C 0.406 175.425 174.900 0.197 0.000 0.977 114 G CA 0.496 45.699 45.100 0.170 0.000 0.641 114 G HN 0.560 nan 8.290 nan 0.000 0.533 115 F N 1.261 121.178 119.950 -0.055 0.000 2.293 115 F HA 0.000 4.527 4.527 -0.000 0.000 0.300 115 F C 2.806 178.562 175.800 -0.073 0.000 1.086 115 F CA 2.218 60.054 58.000 -0.273 0.000 1.375 115 F CB -0.195 38.594 39.000 -0.353 0.000 1.045 115 F HN 0.599 nan 8.300 nan 0.000 0.516 116 C N -1.951 117.425 119.300 0.127 0.000 2.594 116 C HA 0.108 4.568 4.460 -0.000 0.000 0.265 116 C C 2.441 177.491 174.990 0.101 0.000 1.351 116 C CA 0.615 59.709 59.018 0.126 0.000 1.744 116 C CB -1.495 26.363 27.740 0.197 0.000 1.890 116 C HN 0.353 nan 8.230 nan 0.000 0.551 117 T N 2.992 117.591 114.554 0.074 0.000 2.684 117 T HA -0.089 4.261 4.350 -0.000 0.000 0.267 117 T C -0.331 174.422 174.700 0.087 0.000 1.036 117 T CA 2.469 64.621 62.100 0.088 0.000 1.148 117 T CB -1.416 67.492 68.868 0.066 0.000 0.863 117 T HN 0.428 nan 8.240 nan 0.000 0.436 118 P HA -0.055 nan 4.420 nan 0.000 0.215 118 P C 1.790 179.119 177.300 0.050 0.000 1.153 118 P CA 1.280 64.390 63.100 0.017 0.000 0.853 118 P CB -0.506 31.167 31.700 -0.046 0.000 0.788 119 G N -0.370 108.465 108.800 0.057 0.000 2.422 119 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.218 119 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.218 119 G C 1.523 176.540 174.900 0.194 0.000 1.146 119 G CA 0.499 45.664 45.100 0.108 0.000 0.769 119 G HN 0.220 nan 8.290 nan 0.000 0.547 120 I N 0.363 121.083 120.570 0.250 0.000 2.252 120 I HA -0.134 4.036 4.170 -0.000 0.000 0.245 120 I C 2.778 179.139 176.117 0.408 0.000 1.102 120 I CA 0.524 62.054 61.300 0.383 0.000 1.385 120 I CB -0.443 37.762 38.000 0.341 0.000 1.064 120 I HN 0.020 nan 8.210 nan 0.000 0.414 121 V N 0.806 120.893 119.914 0.287 0.000 2.287 121 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 121 V C 2.575 178.747 176.094 0.130 0.000 1.053 121 V CA 1.678 64.115 62.300 0.229 0.000 1.027 121 V CB -0.444 31.462 31.823 0.139 0.000 0.646 121 V HN 0.369 nan 8.190 nan 0.000 0.447 122 M N -0.813 118.845 119.600 0.097 0.000 2.229 122 M HA -0.073 4.407 4.480 -0.000 0.000 0.264 122 M C 2.375 178.719 176.300 0.075 0.000 1.063 122 M CA 1.366 56.705 55.300 0.065 0.000 1.114 122 M CB -1.440 31.177 32.600 0.028 0.000 1.387 122 M HN 0.315 nan 8.290 nan 0.000 0.420 123 S N 0.549 116.309 115.700 0.100 0.000 2.368 123 S HA -0.117 4.353 4.470 -0.000 0.000 0.224 123 S C 1.855 176.363 174.600 -0.153 0.000 1.029 123 S CA 1.291 59.484 58.200 -0.010 0.000 0.988 123 S CB -0.190 63.037 63.200 0.044 0.000 0.838 123 S HN 0.398 nan 8.310 nan 0.000 0.462 124 M N 0.425 119.997 119.600 -0.046 0.000 2.132 124 M HA -0.036 4.443 4.480 -0.000 0.000 0.263 124 M C 1.737 177.851 176.300 -0.310 0.000 1.065 124 M CA 1.452 56.587 55.300 -0.275 0.000 1.122 124 M CB -0.757 31.537 32.600 -0.511 0.000 1.365 124 M HN 0.385 nan 8.290 nan 0.000 0.411 125 Y N 0.348 120.465 120.300 -0.304 0.000 2.165 125 Y HA -0.238 4.312 4.550 -0.000 0.000 0.286 125 Y C 2.045 177.777 175.900 -0.280 0.000 1.155 125 Y CA 2.494 60.394 58.100 -0.333 0.000 1.164 125 Y CB -0.861 37.405 38.460 -0.324 0.000 0.978 125 Y HN 0.295 nan 8.280 nan 0.000 0.513 126 T N 1.194 115.644 114.554 -0.175 0.000 2.746 126 T HA -0.203 4.147 4.350 -0.000 0.000 0.267 126 T C 1.792 176.334 174.700 -0.263 0.000 1.039 126 T CA 1.444 63.422 62.100 -0.203 0.000 1.142 126 T CB -0.669 68.153 68.868 -0.077 0.000 0.866 126 T HN 0.331 nan 8.240 nan 0.000 0.444 127 L N 1.240 122.293 121.223 -0.284 0.000 1.989 127 L HA 0.015 4.355 4.340 -0.000 0.000 0.211 127 L C 2.115 178.810 176.870 -0.291 0.000 1.071 127 L CA 1.685 56.359 54.840 -0.276 0.000 0.749 127 L CB -0.877 40.989 42.059 -0.323 0.000 0.890 127 L HN 0.253 nan 8.230 nan 0.000 0.431 128 L N -0.867 120.122 121.223 -0.390 0.000 2.191 128 L HA -0.168 4.172 4.340 -0.000 0.000 0.212 128 L C 2.630 179.283 176.870 -0.361 0.000 1.103 128 L CA 0.947 55.554 54.840 -0.388 0.000 0.769 128 L CB -0.487 41.272 42.059 -0.501 0.000 0.908 128 L HN 0.258 nan 8.230 nan 0.000 0.438 129 R N 0.157 120.378 120.500 -0.464 0.000 2.189 129 R HA -0.034 4.306 4.340 -0.000 0.000 0.218 129 R C 1.895 178.079 176.300 -0.193 0.000 1.074 129 R CA 0.938 56.779 56.100 -0.430 0.000 0.991 129 R CB -0.133 29.779 30.300 -0.648 0.000 0.883 129 R HN 0.364 nan 8.270 nan 0.000 0.457 130 N N -0.884 117.724 118.700 -0.154 0.000 2.432 130 N HA -0.039 4.701 4.740 -0.000 0.000 0.174 130 N C -0.365 175.098 175.510 -0.079 0.000 1.037 130 N CA 0.414 53.423 53.050 -0.068 0.000 0.892 130 N CB 0.484 38.935 38.487 -0.061 0.000 1.049 130 N HN 0.032 nan 8.380 nan 0.000 0.442 131 Q N 0.698 120.429 119.800 -0.115 0.000 2.589 131 Q HA 0.268 4.608 4.340 -0.000 0.000 0.245 131 Q C -2.345 173.592 176.000 -0.106 0.000 0.931 131 Q CA -1.587 54.161 55.803 -0.091 0.000 0.730 131 Q CB 1.966 30.655 28.738 -0.081 0.000 1.315 131 Q HN -0.068 nan 8.270 nan 0.000 0.469 132 P HA -0.128 nan 4.420 nan 0.000 0.222 132 P C -0.593 176.695 177.300 -0.020 0.000 1.147 132 P CA 1.037 64.094 63.100 -0.071 0.000 0.790 132 P CB 0.515 32.191 31.700 -0.040 0.000 0.780 133 E N 0.670 120.868 120.200 -0.004 0.000 3.374 133 E HA 0.248 4.597 4.350 -0.000 0.000 0.223 133 E C -2.352 174.264 176.600 0.026 0.000 1.210 133 E CA -1.919 54.503 56.400 0.038 0.000 0.987 133 E CB 1.232 30.958 29.700 0.043 0.000 1.322 133 E HN 0.346 nan 8.360 nan 0.000 0.404 134 P HA 0.025 nan 4.420 nan 0.000 0.274 134 P C 0.163 177.492 177.300 0.047 0.000 1.246 134 P CA -0.197 62.907 63.100 0.008 0.000 0.795 134 P CB 1.035 32.717 31.700 -0.030 0.000 1.006 135 T N -2.510 112.065 114.554 0.036 0.000 2.847 135 T HA 0.172 4.522 4.350 -0.000 0.000 0.279 135 T C 1.509 176.256 174.700 0.079 0.000 0.984 135 T CA -0.687 61.446 62.100 0.055 0.000 0.988 135 T CB 0.043 68.934 68.868 0.038 0.000 1.040 135 T HN 0.084 nan 8.240 nan 0.000 0.528 136 V N 0.883 120.854 119.914 0.096 0.000 2.392 136 V HA -0.112 4.008 4.120 -0.000 0.000 0.249 136 V C 2.855 179.020 176.094 0.117 0.000 1.059 136 V CA 2.386 64.763 62.300 0.127 0.000 1.051 136 V CB -1.079 30.818 31.823 0.123 0.000 0.658 136 V HN 1.024 nan 8.190 nan 0.000 0.455 137 E N 0.734 120.984 120.200 0.084 0.000 2.072 137 E HA -0.216 4.134 4.350 -0.000 0.000 0.191 137 E C 2.094 178.713 176.600 0.031 0.000 0.985 137 E CA 1.633 58.075 56.400 0.070 0.000 0.801 137 E CB -0.266 29.467 29.700 0.054 0.000 0.750 137 E HN 0.674 nan 8.360 nan 0.000 0.452 138 E N -0.057 120.148 120.200 0.008 0.000 2.153 138 E HA -0.147 4.203 4.350 -0.000 0.000 0.194 138 E C 2.185 178.745 176.600 -0.067 0.000 0.988 138 E CA 1.152 57.525 56.400 -0.046 0.000 0.811 138 E CB -0.170 29.500 29.700 -0.050 0.000 0.746 138 E HN 0.395 nan 8.360 nan 0.000 0.466 139 I N 1.078 121.658 120.570 0.018 0.000 2.226 139 I HA -0.257 3.912 4.170 -0.000 0.000 0.245 139 I C 2.662 178.854 176.117 0.125 0.000 1.100 139 I CA 1.171 62.517 61.300 0.077 0.000 1.374 139 I CB -0.205 37.938 38.000 0.239 0.000 1.057 139 I HN 0.148 nan 8.210 nan 0.000 0.413 140 E N 1.117 121.409 120.200 0.153 0.000 2.072 140 E HA -0.235 4.115 4.350 -0.000 0.000 0.190 140 E C 1.506 178.120 176.600 0.023 0.000 0.982 140 E CA 1.302 57.820 56.400 0.198 0.000 0.803 140 E CB 0.101 29.927 29.700 0.210 0.000 0.755 140 E HN 0.351 nan 8.360 nan 0.000 0.453 141 D N 0.386 120.745 120.400 -0.067 0.000 2.311 141 D HA -0.118 4.522 4.640 -0.000 0.000 0.212 141 D C 1.569 177.712 176.300 -0.261 0.000 0.972 141 D CA 0.982 54.891 54.000 -0.152 0.000 0.887 141 D CB -0.181 40.522 40.800 -0.161 0.000 0.915 141 D HN 0.294 nan 8.370 nan 0.000 0.497 142 A N -0.422 122.134 122.820 -0.439 0.000 2.121 142 A HA -0.082 4.238 4.320 -0.000 0.000 0.218 142 A C 1.156 178.194 177.584 -0.910 0.000 1.154 142 A CA 0.634 52.227 52.037 -0.740 0.000 0.679 142 A CB -0.518 17.848 19.000 -1.056 0.000 0.795 142 A HN 0.234 nan 8.150 nan 0.000 0.458 143 F N -0.721 119.051 119.950 -0.295 0.000 2.708 143 F HA 0.183 4.710 4.527 -0.000 0.000 0.300 143 F C 1.777 177.455 175.800 -0.203 0.000 1.118 143 F CA -0.362 57.387 58.000 -0.418 0.000 1.307 143 F CB 0.163 38.395 39.000 -1.280 0.000 0.986 143 F HN 0.154 nan 8.300 nan 0.000 0.522 144 Q N 0.543 120.338 119.800 -0.010 0.000 2.297 144 Q HA -0.092 4.248 4.340 -0.000 0.000 0.208 144 Q C 2.038 178.109 176.000 0.118 0.000 0.981 144 Q CA 1.360 57.202 55.803 0.065 0.000 0.876 144 Q CB -0.190 28.554 28.738 0.010 0.000 0.921 144 Q HN 0.576 nan 8.270 nan 0.000 0.446 145 G N 0.189 109.056 108.800 0.111 0.000 3.434 145 G HA2 0.096 4.056 3.960 -0.000 0.000 0.258 145 G HA3 0.096 4.056 3.960 -0.000 0.000 0.258 145 G C -0.325 174.705 174.900 0.216 0.000 1.128 145 G CA -0.322 44.866 45.100 0.147 0.000 0.792 145 G HN 0.145 nan 8.290 nan 0.000 0.539 146 N N -0.067 118.816 118.700 0.305 0.000 2.314 146 N HA 0.629 5.369 4.740 -0.000 0.000 0.294 146 N C -0.987 174.853 175.510 0.549 0.000 1.029 146 N CA -0.454 52.847 53.050 0.419 0.000 0.845 146 N CB 2.553 41.343 38.487 0.505 0.000 1.321 146 N HN -0.068 nan 8.380 nan 0.000 0.481 147 L N 0.927 122.422 121.223 0.454 0.000 2.334 147 L HA 0.695 5.035 4.340 -0.000 0.000 0.276 147 L C -0.745 176.345 176.870 0.368 0.000 1.014 147 L CA -0.981 54.124 54.840 0.443 0.000 0.815 147 L CB 1.757 43.994 42.059 0.298 0.000 1.268 147 L HN 0.538 nan 8.230 nan 0.000 0.428 148 C N 2.361 121.789 119.300 0.214 0.000 2.482 148 C HA 0.513 4.973 4.460 -0.000 0.000 0.317 148 C C 0.884 175.752 174.990 -0.203 0.000 1.197 148 C CA -0.530 58.436 59.018 -0.087 0.000 1.432 148 C CB 1.690 29.184 27.740 -0.409 0.000 2.062 148 C HN 0.984 nan 8.230 nan 0.000 0.471 149 R N 2.458 122.954 120.500 -0.007 0.000 2.265 149 R HA 0.270 4.610 4.340 -0.000 0.000 0.194 149 R C 1.372 177.666 176.300 -0.011 0.000 0.931 149 R CA 1.474 57.555 56.100 -0.032 0.000 1.032 149 R CB -0.605 29.736 30.300 0.070 0.000 0.980 149 R HN 0.870 nan 8.270 nan 0.000 0.497 150 C N -1.251 118.109 119.300 0.099 0.000 2.513 150 C HA 0.130 4.590 4.460 -0.000 0.000 0.292 150 C C 2.462 177.471 174.990 0.032 0.000 1.359 150 C CA 0.793 59.922 59.018 0.185 0.000 1.778 150 C CB -0.287 27.573 27.740 0.200 0.000 2.180 150 C HN 0.640 nan 8.230 nan 0.000 0.509 151 T N -1.307 113.183 114.554 -0.106 0.000 2.857 151 T HA 0.197 4.547 4.350 -0.000 0.000 0.266 151 T C 1.744 176.374 174.700 -0.117 0.000 1.048 151 T CA 1.956 63.976 62.100 -0.133 0.000 1.139 151 T CB -0.608 68.140 68.868 -0.200 0.000 0.874 151 T HN 1.108 nan 8.240 nan 0.000 0.455 152 G N 0.213 108.873 108.800 -0.234 0.000 2.176 152 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.253 152 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.253 152 G C 0.654 175.622 174.900 0.113 0.000 0.979 152 G CA 0.435 45.554 45.100 0.032 0.000 0.641 152 G HN 0.673 nan 8.290 nan 0.000 0.530 153 Y N -2.119 118.116 120.300 -0.109 0.000 3.301 153 Y HA -0.410 4.140 4.550 -0.000 0.000 0.459 153 Y C 2.361 178.230 175.900 -0.052 0.000 1.135 153 Y CA 2.702 60.637 58.100 -0.275 0.000 2.611 153 Y CB -1.413 36.750 38.460 -0.495 0.000 0.841 153 Y HN 0.483 nan 8.280 nan 0.000 0.522 154 R N 1.135 121.782 120.500 0.244 0.000 2.133 154 R HA -0.213 4.127 4.340 -0.000 0.000 0.245 154 R C -0.890 175.503 176.300 0.155 0.000 1.137 154 R CA 2.759 59.001 56.100 0.236 0.000 0.947 154 R CB -1.390 29.041 30.300 0.218 0.000 0.865 154 R HN 0.413 nan 8.270 nan 0.000 0.437 155 P HA -0.124 nan 4.420 nan 0.000 0.220 155 P C 1.616 178.889 177.300 -0.044 0.000 1.148 155 P CA 1.318 64.456 63.100 0.064 0.000 0.803 155 P CB -0.175 31.556 31.700 0.052 0.000 0.782 156 I N -0.570 119.957 120.570 -0.071 0.000 2.202 156 I HA -0.205 3.965 4.170 -0.000 0.000 0.242 156 I C 2.686 178.704 176.117 -0.164 0.000 1.091 156 I CA 1.219 62.376 61.300 -0.240 0.000 1.368 156 I CB -0.669 37.284 38.000 -0.080 0.000 1.058 156 I HN -0.151 nan 8.210 nan 0.000 0.410 157 L N 0.080 121.396 121.223 0.154 0.000 2.056 157 L HA -0.228 4.112 4.340 -0.000 0.000 0.207 157 L C 2.687 179.719 176.870 0.271 0.000 1.078 157 L CA 1.349 56.370 54.840 0.302 0.000 0.749 157 L CB -0.563 41.719 42.059 0.372 0.000 0.901 157 L HN 0.324 nan 8.230 nan 0.000 0.433 158 Q N 0.072 120.006 119.800 0.223 0.000 2.124 158 Q HA -0.150 4.190 4.340 -0.000 0.000 0.202 158 Q C 2.136 178.327 176.000 0.318 0.000 0.977 158 Q CA 1.693 57.664 55.803 0.280 0.000 0.850 158 Q CB -0.158 28.765 28.738 0.308 0.000 0.901 158 Q HN 0.477 nan 8.270 nan 0.000 0.429 159 G N -0.519 108.349 108.800 0.113 0.000 2.394 159 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.215 159 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.215 159 G C 0.873 175.890 174.900 0.195 0.000 1.165 159 G CA 0.299 45.384 45.100 -0.024 0.000 0.784 159 G HN 0.330 nan 8.290 nan 0.000 0.535 160 F N 0.667 120.743 119.950 0.209 0.000 2.456 160 F HA 0.229 4.756 4.527 -0.000 0.000 0.298 160 F C 2.482 178.500 175.800 0.364 0.000 1.104 160 F CA -0.043 58.176 58.000 0.366 0.000 1.435 160 F CB -0.390 38.866 39.000 0.427 0.000 1.078 160 F HN 0.080 nan 8.300 nan 0.000 0.546 161 R N 0.501 121.276 120.500 0.458 0.000 2.152 161 R HA -0.151 4.189 4.340 -0.000 0.000 0.232 161 R C 2.081 178.551 176.300 0.283 0.000 1.117 161 R CA 1.747 58.054 56.100 0.344 0.000 0.981 161 R CB -0.358 30.111 30.300 0.281 0.000 0.870 161 R HN 0.362 nan 8.270 nan 0.000 0.451 162 T N -2.502 112.203 114.554 0.251 0.000 3.025 162 T HA -0.100 4.250 4.350 -0.000 0.000 0.270 162 T C 1.428 176.176 174.700 0.080 0.000 1.126 162 T CA 0.868 63.057 62.100 0.149 0.000 1.105 162 T CB -0.323 68.648 68.868 0.171 0.000 0.884 162 T HN 0.223 nan 8.240 nan 0.000 0.522 163 F N 1.660 121.742 119.950 0.220 0.000 2.615 163 F HA 0.467 4.994 4.527 -0.000 0.000 0.297 163 F C 2.080 177.945 175.800 0.108 0.000 1.124 163 F CA -0.144 57.945 58.000 0.148 0.000 1.451 163 F CB -0.183 38.883 39.000 0.111 0.000 1.103 163 F HN 0.302 nan 8.300 nan 0.000 0.569 164 A N 0.291 123.282 122.820 0.285 0.000 2.336 164 A HA 0.414 4.734 4.320 -0.000 0.000 0.278 164 A C 0.627 178.295 177.584 0.139 0.000 1.371 164 A CA -0.200 51.949 52.037 0.186 0.000 0.842 164 A CB 0.100 19.201 19.000 0.168 0.000 1.363 164 A HN 0.245 nan 8.150 nan 0.000 0.517 193 P HA 0.442 nan 4.420 nan 0.000 0.274 193 P C -0.679 176.443 177.300 -0.297 0.000 1.246 193 P CA -0.402 62.453 63.100 -0.409 0.000 0.795 193 P CB 0.687 32.105 31.700 -0.471 0.000 1.006 194 S N -0.315 115.397 115.700 0.019 0.000 2.578 194 S HA 0.339 4.809 4.470 -0.000 0.000 0.301 194 S C 1.188 175.980 174.600 0.321 0.000 1.091 194 S CA -0.941 57.333 58.200 0.123 0.000 1.032 194 S CB 1.142 64.293 63.200 -0.082 0.000 1.064 194 S HN 0.364 nan 8.310 nan 0.000 0.508 195 L N 0.287 121.656 121.223 0.243 0.000 2.217 195 L HA 0.200 4.540 4.340 -0.000 0.000 0.211 195 L C 0.184 177.322 176.870 0.446 0.000 1.107 195 L CA 0.870 55.859 54.840 0.249 0.000 0.783 195 L CB -0.475 41.725 42.059 0.235 0.000 0.919 195 L HN 0.806 nan 8.230 nan 0.000 0.442 196 F N -3.165 116.887 119.950 0.170 0.000 2.713 196 F HA 0.482 5.009 4.527 -0.000 0.000 0.311 196 F C -0.975 174.807 175.800 -0.029 0.000 1.141 196 F CA -1.648 56.408 58.000 0.092 0.000 0.939 196 F CB 1.057 40.114 39.000 0.096 0.000 1.325 196 F HN -0.325 nan 8.300 nan 0.000 0.453 197 N N 1.818 120.557 118.700 0.064 0.000 2.569 197 N HA 0.518 5.258 4.740 -0.000 0.000 0.254 197 N C -2.441 172.796 175.510 -0.457 0.000 1.004 197 N CA -2.615 50.330 53.050 -0.175 0.000 0.904 197 N CB 1.857 40.286 38.487 -0.096 0.000 1.165 197 N HN 0.270 nan 8.380 nan 0.000 0.513 198 P HA -0.117 nan 4.420 nan 0.000 0.219 198 P C 0.372 177.334 177.300 -0.563 0.000 1.146 198 P CA 1.197 63.734 63.100 -0.939 0.000 0.808 198 P CB 0.325 31.835 31.700 -0.316 0.000 0.779 199 E N -0.030 119.991 120.200 -0.299 0.000 2.265 199 E HA -0.207 4.143 4.350 -0.000 0.000 0.196 199 E C 1.760 178.307 176.600 -0.088 0.000 0.996 199 E CA 0.977 57.293 56.400 -0.141 0.000 0.832 199 E CB -0.325 29.318 29.700 -0.095 0.000 0.756 199 E HN 0.605 nan 8.360 nan 0.000 0.491 200 E N 0.553 120.680 120.200 -0.121 0.000 2.474 200 E HA -0.010 4.340 4.350 -0.000 0.000 0.194 200 E C 0.094 176.806 176.600 0.187 0.000 1.041 200 E CA -0.248 56.166 56.400 0.024 0.000 0.874 200 E CB -0.067 29.660 29.700 0.044 0.000 0.914 200 E HN 0.118 nan 8.360 nan 0.000 0.498 201 F N 2.002 121.965 119.950 0.021 0.000 2.529 201 F HA 0.088 4.615 4.527 -0.000 0.000 0.365 201 F C 0.948 176.746 175.800 -0.004 0.000 1.102 201 F CA -0.948 57.050 58.000 -0.002 0.000 1.271 201 F CB 0.668 39.645 39.000 -0.039 0.000 1.120 201 F HN 0.062 nan 8.300 nan 0.000 0.579 202 M N 6.184 125.889 119.600 0.176 0.000 2.217 202 M HA 0.225 4.705 4.480 -0.000 0.000 0.352 202 M C -2.362 173.990 176.300 0.087 0.000 1.376 202 M CA -1.451 53.906 55.300 0.095 0.000 1.107 202 M CB 0.600 33.228 32.600 0.048 0.000 1.723 202 M HN 0.176 nan 8.290 nan 0.000 0.461 203 P HA 0.050 nan 4.420 nan 0.000 0.269 203 P C -1.158 176.194 177.300 0.086 0.000 1.215 203 P CA -0.426 62.727 63.100 0.088 0.000 0.780 203 P CB 0.418 32.160 31.700 0.071 0.000 0.898 204 L N 2.939 124.247 121.223 0.141 0.000 2.360 204 L HA 0.297 4.637 4.340 -0.000 0.000 0.276 204 L C -0.136 176.773 176.870 0.064 0.000 1.121 204 L CA 0.476 55.388 54.840 0.120 0.000 0.845 204 L CB -0.006 42.185 42.059 0.221 0.000 1.143 204 L HN 0.211 nan 8.230 nan 0.000 0.452 205 D N 6.765 127.182 120.400 0.028 0.000 2.408 205 D HA 0.348 4.988 4.640 -0.000 0.000 0.261 205 D C -1.875 174.441 176.300 0.027 0.000 1.190 205 D CA -1.885 52.131 54.000 0.028 0.000 0.910 205 D CB 1.555 42.369 40.800 0.023 0.000 1.097 205 D HN 0.349 nan 8.370 nan 0.000 0.522 206 P HA -0.157 nan 4.420 nan 0.000 0.221 206 P C 1.164 178.478 177.300 0.024 0.000 1.145 206 P CA 1.027 64.136 63.100 0.015 0.000 0.795 206 P CB -0.111 31.584 31.700 -0.009 0.000 0.775 207 T N -3.537 111.032 114.554 0.025 0.000 3.051 207 T HA -0.079 4.271 4.350 -0.000 0.000 0.269 207 T C 1.600 176.320 174.700 0.034 0.000 1.127 207 T CA 0.782 62.898 62.100 0.027 0.000 1.107 207 T CB -0.656 68.225 68.868 0.022 0.000 0.898 207 T HN 0.251 nan 8.240 nan 0.000 0.517 208 Q N 0.254 120.079 119.800 0.040 0.000 2.247 208 Q HA 0.201 4.541 4.340 -0.000 0.000 0.204 208 Q C -0.040 176.005 176.000 0.074 0.000 0.872 208 Q CA -0.212 55.620 55.803 0.048 0.000 0.951 208 Q CB 0.500 29.262 28.738 0.039 0.000 1.099 208 Q HN 0.525 nan 8.270 nan 0.000 0.501 209 E N 1.925 122.175 120.200 0.084 0.000 2.390 209 E HA 0.161 4.511 4.350 -0.000 0.000 0.261 209 E C -2.182 174.474 176.600 0.093 0.000 1.076 209 E CA -1.859 54.612 56.400 0.119 0.000 0.905 209 E CB 0.026 29.780 29.700 0.090 0.000 0.984 209 E HN 0.010 nan 8.360 nan 0.000 0.427 210 P HA 0.046 nan 4.420 nan 0.000 0.265 210 P C 0.078 177.426 177.300 0.080 0.000 1.193 210 P CA 0.191 63.336 63.100 0.074 0.000 0.765 210 P CB 0.385 32.123 31.700 0.064 0.000 0.823 211 I N 3.457 124.066 120.570 0.064 0.000 2.638 211 I HA 0.178 4.348 4.170 -0.000 0.000 0.286 211 I C 0.037 176.214 176.117 0.100 0.000 1.088 211 I CA -0.713 60.638 61.300 0.084 0.000 1.397 211 I CB 0.315 38.345 38.000 0.049 0.000 1.414 211 I HN 0.149 nan 8.210 nan 0.000 0.566 212 F N 8.966 128.918 119.950 0.004 0.000 2.538 212 F HA 0.322 4.849 4.527 -0.000 0.000 0.371 212 F C -1.953 173.775 175.800 -0.121 0.000 1.087 212 F CA -2.057 55.927 58.000 -0.026 0.000 1.250 212 F CB -0.044 38.956 39.000 -0.000 0.000 1.110 212 F HN 0.330 nan 8.300 nan 0.000 0.570 213 P HA -0.043 nan 4.420 nan 0.000 0.253 213 P C -2.173 174.754 177.300 -0.622 0.000 1.159 213 P CA -0.383 62.214 63.100 -0.839 0.000 0.779 213 P CB 0.279 31.066 31.700 -1.523 0.000 0.745 214 P HA -0.208 nan 4.420 nan 0.000 0.216 214 P C 1.422 178.606 177.300 -0.194 0.000 1.153 214 P CA 1.266 64.267 63.100 -0.164 0.000 0.858 214 P CB 0.035 31.678 31.700 -0.094 0.000 0.789 215 E N -0.448 119.612 120.200 -0.233 0.000 2.118 215 E HA -0.175 4.175 4.350 -0.000 0.000 0.195 215 E C 1.870 178.319 176.600 -0.250 0.000 0.992 215 E CA 0.843 57.145 56.400 -0.163 0.000 0.804 215 E CB -0.494 29.206 29.700 -0.001 0.000 0.741 215 E HN 0.172 nan 8.360 nan 0.000 0.458 216 L N 0.278 121.215 121.223 -0.477 0.000 2.093 216 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 216 L C 2.506 179.292 176.870 -0.139 0.000 1.085 216 L CA 0.294 54.885 54.840 -0.415 0.000 0.755 216 L CB -0.212 41.421 42.059 -0.709 0.000 0.904 216 L HN 0.263 nan 8.230 nan 0.000 0.435 217 L N -0.095 121.090 121.223 -0.063 0.000 2.201 217 L HA -0.156 4.184 4.340 -0.000 0.000 0.212 217 L C 2.629 179.419 176.870 -0.133 0.000 1.105 217 L CA 1.578 56.410 54.840 -0.014 0.000 0.775 217 L CB -0.405 41.675 42.059 0.035 0.000 0.913 217 L HN 0.103 nan 8.230 nan 0.000 0.440 218 R N -1.113 119.314 120.500 -0.122 0.000 2.062 218 R HA -0.029 4.311 4.340 -0.000 0.000 0.229 218 R C 2.171 178.405 176.300 -0.109 0.000 1.128 218 R CA 1.270 57.305 56.100 -0.107 0.000 0.960 218 R CB -0.525 29.726 30.300 -0.081 0.000 0.855 218 R HN 0.297 nan 8.270 nan 0.000 0.432 219 L N 2.015 123.160 121.223 -0.129 0.000 2.261 219 L HA -0.192 4.148 4.340 -0.000 0.000 0.216 219 L C 2.416 179.248 176.870 -0.062 0.000 1.114 219 L CA 1.303 56.076 54.840 -0.112 0.000 0.777 219 L CB -0.523 41.355 42.059 -0.301 0.000 0.910 219 L HN 0.285 nan 8.230 nan 0.000 0.440 220 K N -0.711 119.620 120.400 -0.116 0.000 2.280 220 K HA -0.156 4.164 4.320 -0.000 0.000 0.202 220 K C 0.641 177.178 176.600 -0.104 0.000 1.047 220 K CA 1.411 57.620 56.287 -0.131 0.000 0.942 220 K CB -0.134 32.075 32.500 -0.485 0.000 0.739 220 K HN 0.269 nan 8.250 nan 0.000 0.457 221 D N 1.567 121.906 120.400 -0.102 0.000 2.370 221 D HA 0.072 4.712 4.640 -0.000 0.000 0.230 221 D C -0.699 175.587 176.300 -0.023 0.000 1.143 221 D CA 0.151 54.113 54.000 -0.064 0.000 0.834 221 D CB 0.737 41.493 40.800 -0.074 0.000 0.944 221 D HN -0.008 nan 8.370 nan 0.000 0.504 222 V N 2.010 121.922 119.914 -0.003 0.000 2.409 222 V HA 0.232 4.352 4.120 -0.000 0.000 0.290 222 V C -2.209 173.898 176.094 0.022 0.000 1.017 222 V CA -1.791 60.522 62.300 0.022 0.000 0.841 222 V CB 1.908 33.762 31.823 0.052 0.000 1.003 222 V HN -0.128 nan 8.190 nan 0.000 0.426 223 P HA 0.166 nan 4.420 nan 0.000 0.262 223 P C -2.424 174.879 177.300 0.006 0.000 1.182 223 P CA -0.416 62.689 63.100 0.009 0.000 0.761 223 P CB -0.155 31.555 31.700 0.017 0.000 0.795 224 P HA 0.155 nan 4.420 nan 0.000 0.269 224 P C -0.675 176.662 177.300 0.063 0.000 1.209 224 P CA 0.012 63.072 63.100 -0.068 0.000 0.776 224 P CB 0.450 32.020 31.700 -0.216 0.000 0.876 225 K N 0.129 120.608 120.400 0.132 0.000 2.435 225 K HA 0.404 4.724 4.320 -0.000 0.000 0.251 225 K C -0.696 176.021 176.600 0.196 0.000 0.954 225 K CA -1.112 55.257 56.287 0.136 0.000 0.820 225 K CB 1.139 33.690 32.500 0.084 0.000 1.292 225 K HN 0.291 nan 8.250 nan 0.000 0.436 226 Q N 2.076 121.943 119.800 0.113 0.000 2.315 226 Q HA 0.143 4.483 4.340 -0.000 0.000 0.289 226 Q C -0.982 174.990 176.000 -0.046 0.000 1.044 226 Q CA 0.088 55.916 55.803 0.042 0.000 0.920 226 Q CB 0.401 29.137 28.738 -0.004 0.000 1.214 226 Q HN 0.629 nan 8.270 nan 0.000 0.392 227 L N 3.710 124.833 121.223 -0.166 0.000 2.333 227 L HA 0.657 4.997 4.340 -0.000 0.000 0.269 227 L C -0.279 176.287 176.870 -0.506 0.000 1.010 227 L CA -0.930 53.684 54.840 -0.378 0.000 0.818 227 L CB 2.042 43.767 42.059 -0.555 0.000 1.306 227 L HN 0.635 nan 8.230 nan 0.000 0.430 228 R N 1.638 121.777 120.500 -0.601 0.000 2.532 228 R HA 0.579 4.919 4.340 -0.000 0.000 0.297 228 R C -1.967 174.033 176.300 -0.499 0.000 0.984 228 R CA -0.393 55.450 56.100 -0.429 0.000 0.884 228 R CB 1.393 31.582 30.300 -0.185 0.000 1.182 228 R HN 0.444 nan 8.270 nan 0.000 0.442 229 F N 2.299 122.294 119.950 0.074 0.000 2.495 229 F HA 0.397 4.924 4.527 -0.000 0.000 0.327 229 F C -0.007 175.828 175.800 0.058 0.000 1.103 229 F CA -0.860 57.158 58.000 0.029 0.000 0.949 229 F CB 2.342 41.308 39.000 -0.058 0.000 1.142 229 F HN 0.317 nan 8.300 nan 0.000 0.457 230 E N 1.708 122.043 120.200 0.225 0.000 2.191 230 E HA 0.512 4.862 4.350 -0.000 0.000 0.263 230 E C -0.163 176.507 176.600 0.117 0.000 0.881 230 E CA -0.687 55.798 56.400 0.142 0.000 0.757 230 E CB 2.232 31.989 29.700 0.096 0.000 1.147 230 E HN 0.779 nan 8.360 nan 0.000 0.414 231 G N 1.209 110.073 108.800 0.106 0.000 2.938 231 G HA2 0.065 4.025 3.960 -0.000 0.000 0.258 231 G HA3 0.065 4.025 3.960 -0.000 0.000 0.258 231 G C 0.496 175.441 174.900 0.075 0.000 1.356 231 G CA -0.390 44.758 45.100 0.080 0.000 1.052 231 G HN 0.603 nan 8.290 nan 0.000 0.550 232 E N -0.788 119.455 120.200 0.072 0.000 2.110 232 E HA -0.085 4.265 4.350 -0.000 0.000 0.193 232 E C 1.928 178.568 176.600 0.068 0.000 0.988 232 E CA 0.954 57.401 56.400 0.077 0.000 0.804 232 E CB 0.052 29.814 29.700 0.104 0.000 0.745 232 E HN 0.463 nan 8.360 nan 0.000 0.458 233 R N -0.978 119.563 120.500 0.068 0.000 2.517 233 R HA 0.239 4.579 4.340 -0.000 0.000 0.265 233 R C -0.465 175.875 176.300 0.067 0.000 0.921 233 R CA -0.110 56.025 56.100 0.058 0.000 1.054 233 R CB 1.921 32.250 30.300 0.049 0.000 1.340 233 R HN -0.095 nan 8.270 nan 0.000 0.551 234 V N 1.005 120.973 119.914 0.090 0.000 2.823 234 V HA 0.395 4.515 4.120 -0.000 0.000 0.312 234 V C -0.279 175.898 176.094 0.139 0.000 1.072 234 V CA -0.687 61.685 62.300 0.120 0.000 0.937 234 V CB 2.273 34.195 31.823 0.166 0.000 1.013 234 V HN -0.025 nan 8.190 nan 0.000 0.430 235 T N 4.047 118.677 114.554 0.128 0.000 2.779 235 T HA 0.369 4.719 4.350 -0.000 0.000 0.280 235 T C -1.108 173.702 174.700 0.184 0.000 0.987 235 T CA -0.215 61.962 62.100 0.130 0.000 0.966 235 T CB 0.882 69.774 68.868 0.039 0.000 0.933 235 T HN 0.668 nan 8.240 nan 0.000 0.442 236 W N 5.898 127.215 121.300 0.029 0.000 2.475 236 W HA 0.618 5.278 4.660 -0.000 0.000 0.317 236 W C -1.903 174.564 176.519 -0.087 0.000 1.046 236 W CA -1.434 55.923 57.345 0.021 0.000 1.215 236 W CB 0.586 30.136 29.460 0.150 0.000 1.335 236 W HN 0.515 nan 8.180 nan 0.000 0.471 237 I N 5.482 125.948 120.570 -0.173 0.000 2.382 237 I HA 0.039 4.209 4.170 -0.000 0.000 0.286 237 I C -0.176 175.768 176.117 -0.288 0.000 1.002 237 I CA -0.764 60.426 61.300 -0.183 0.000 1.135 237 I CB 1.945 39.834 38.000 -0.185 0.000 1.288 237 I HN 0.257 nan 8.210 nan 0.000 0.448 238 Q N 5.551 125.236 119.800 -0.193 0.000 2.406 238 Q HA 0.486 4.826 4.340 -0.000 0.000 0.242 238 Q C -0.365 175.462 176.000 -0.289 0.000 1.036 238 Q CA -0.302 55.309 55.803 -0.320 0.000 0.904 238 Q CB 1.175 29.618 28.738 -0.492 0.000 1.244 238 Q HN 0.725 nan 8.270 nan 0.000 0.478 239 A N 2.849 125.536 122.820 -0.222 0.000 2.409 239 A HA 0.342 4.662 4.320 -0.000 0.000 0.262 239 A C 0.944 178.561 177.584 0.055 0.000 1.113 239 A CA 0.252 52.240 52.037 -0.081 0.000 0.790 239 A CB 0.359 19.310 19.000 -0.082 0.000 1.046 239 A HN 0.946 nan 8.150 nan 0.000 0.496 240 S N 1.436 117.232 115.700 0.160 0.000 2.470 240 S HA 0.105 4.575 4.470 -0.000 0.000 0.222 240 S C 0.867 175.576 174.600 0.181 0.000 1.024 240 S CA 0.901 59.283 58.200 0.304 0.000 0.931 240 S CB -0.394 62.979 63.200 0.289 0.000 0.791 240 S HN 1.345 nan 8.310 nan 0.000 0.513 241 T N -1.498 113.116 114.554 0.100 0.000 2.901 241 T HA 0.628 4.978 4.350 -0.000 0.000 0.293 241 T C 0.539 175.260 174.700 0.034 0.000 1.084 241 T CA -0.723 61.416 62.100 0.064 0.000 1.008 241 T CB 1.381 70.276 68.868 0.046 0.000 1.170 241 T HN -0.005 nan 8.240 nan 0.000 0.509 242 L N 1.355 122.591 121.223 0.022 0.000 2.046 242 L HA 0.116 4.456 4.340 -0.000 0.000 0.208 242 L C 2.591 179.460 176.870 -0.003 0.000 1.077 242 L CA 2.048 56.890 54.840 0.004 0.000 0.747 242 L CB -0.922 41.136 42.059 -0.002 0.000 0.896 242 L HN 0.931 nan 8.230 nan 0.000 0.432 243 K N -0.380 120.021 120.400 0.002 0.000 2.063 243 K HA -0.231 4.089 4.320 -0.000 0.000 0.208 243 K C 1.869 178.467 176.600 -0.004 0.000 1.048 243 K CA 2.012 58.297 56.287 -0.002 0.000 0.928 243 K CB -0.179 32.322 32.500 0.001 0.000 0.713 243 K HN 0.544 nan 8.250 nan 0.000 0.442 244 E N 0.605 120.806 120.200 0.001 0.000 2.077 244 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 244 E C 2.070 178.661 176.600 -0.016 0.000 0.989 244 E CA 1.080 57.478 56.400 -0.003 0.000 0.800 244 E CB -0.176 29.527 29.700 0.004 0.000 0.746 244 E HN 0.225 nan 8.360 nan 0.000 0.452 245 L N 1.249 122.459 121.223 -0.022 0.000 2.012 245 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 245 L C 2.068 178.918 176.870 -0.033 0.000 1.073 245 L CA 1.665 56.481 54.840 -0.039 0.000 0.748 245 L CB -0.378 41.656 42.059 -0.040 0.000 0.891 245 L HN 0.106 nan 8.230 nan 0.000 0.431 246 L N -0.795 120.413 121.223 -0.025 0.000 2.093 246 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 246 L C 2.266 179.123 176.870 -0.021 0.000 1.085 246 L CA 1.149 55.974 54.840 -0.025 0.000 0.755 246 L CB -0.933 41.113 42.059 -0.022 0.000 0.904 246 L HN 0.307 nan 8.230 nan 0.000 0.435 247 D N 0.374 120.764 120.400 -0.016 0.000 2.117 247 D HA -0.130 4.510 4.640 -0.000 0.000 0.198 247 D C 2.438 178.734 176.300 -0.007 0.000 0.982 247 D CA 1.114 55.105 54.000 -0.014 0.000 0.828 247 D CB -0.094 40.701 40.800 -0.009 0.000 0.967 247 D HN 0.251 nan 8.370 nan 0.000 0.464 248 L N 0.704 121.928 121.223 0.002 0.000 2.017 248 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 248 L C 2.399 179.292 176.870 0.038 0.000 1.073 248 L CA 1.057 55.918 54.840 0.035 0.000 0.745 248 L CB -0.261 41.797 42.059 -0.001 0.000 0.894 248 L HN -0.088 nan 8.230 nan 0.000 0.432 249 K N -0.023 120.376 120.400 -0.002 0.000 2.211 249 K HA -0.046 4.274 4.320 -0.000 0.000 0.203 249 K C 2.099 178.688 176.600 -0.019 0.000 1.050 249 K CA 1.273 57.555 56.287 -0.010 0.000 0.945 249 K CB -0.281 32.201 32.500 -0.030 0.000 0.732 249 K HN 0.286 nan 8.250 nan 0.000 0.451 250 A N 1.217 124.019 122.820 -0.030 0.000 1.929 250 A HA -0.145 4.174 4.320 -0.000 0.000 0.216 250 A C 2.005 179.541 177.584 -0.079 0.000 1.176 250 A CA 1.096 53.105 52.037 -0.046 0.000 0.628 250 A CB -0.188 18.788 19.000 -0.040 0.000 0.816 250 A HN 0.352 nan 8.150 nan 0.000 0.444 251 Q N -1.413 118.323 119.800 -0.107 0.000 2.302 251 Q HA 0.041 4.381 4.340 -0.000 0.000 0.202 251 Q C -0.202 175.514 176.000 -0.474 0.000 0.936 251 Q CA 0.609 56.256 55.803 -0.259 0.000 0.886 251 Q CB 0.279 28.863 28.738 -0.256 0.000 0.986 251 Q HN 0.700 nan 8.270 nan 0.000 0.487 252 H N -0.624 118.429 119.070 -0.029 0.000 2.448 252 H HA 0.192 4.748 4.556 -0.000 0.000 0.237 252 H C -2.083 173.225 175.328 -0.034 0.000 1.391 252 H CA -1.791 54.240 56.048 -0.028 0.000 1.477 252 H CB 1.312 31.055 29.762 -0.032 0.000 1.520 252 H HN 0.053 nan 8.280 nan 0.000 0.502 253 P HA -0.184 nan 4.420 nan 0.000 0.219 253 P C 1.756 179.068 177.300 0.020 0.000 1.146 253 P CA 1.067 64.174 63.100 0.012 0.000 0.808 253 P CB 0.466 32.163 31.700 -0.006 0.000 0.779 254 E N 0.441 120.672 120.200 0.051 0.000 2.204 254 E HA -0.077 4.273 4.350 -0.000 0.000 0.194 254 E C 0.758 177.377 176.600 0.030 0.000 0.989 254 E CA 0.428 56.859 56.400 0.052 0.000 0.824 254 E CB -1.183 28.564 29.700 0.078 0.000 0.756 254 E HN 0.048 nan 8.360 nan 0.000 0.477 255 A N 2.247 125.079 122.820 0.020 0.000 2.580 255 A HA -0.003 4.317 4.320 -0.000 0.000 0.244 255 A C 0.297 177.818 177.584 -0.106 0.000 1.045 255 A CA 0.124 52.134 52.037 -0.045 0.000 0.761 255 A CB 0.087 19.053 19.000 -0.055 0.000 0.962 255 A HN -0.003 nan 8.150 nan 0.000 0.512 256 K N 2.499 122.801 120.400 -0.163 0.000 2.276 256 K HA 0.339 4.659 4.320 -0.000 0.000 0.285 256 K C -0.594 175.817 176.600 -0.314 0.000 1.062 256 K CA -0.384 55.722 56.287 -0.303 0.000 0.918 256 K CB 0.719 32.885 32.500 -0.557 0.000 1.055 256 K HN 0.585 nan 8.250 nan 0.000 0.477 257 L N 3.352 124.410 121.223 -0.275 0.000 2.397 257 L HA 0.230 4.570 4.340 -0.000 0.000 0.271 257 L C -0.215 176.490 176.870 -0.275 0.000 1.148 257 L CA 0.065 54.748 54.840 -0.262 0.000 0.825 257 L CB 1.142 43.091 42.059 -0.183 0.000 1.117 257 L HN 0.225 nan 8.230 nan 0.000 0.456 258 V N 4.282 124.018 119.914 -0.297 0.000 2.668 258 V HA 0.411 4.531 4.120 -0.000 0.000 0.304 258 V C 0.077 176.083 176.094 -0.146 0.000 1.071 258 V CA -0.424 61.745 62.300 -0.219 0.000 0.894 258 V CB 1.901 33.562 31.823 -0.269 0.000 1.008 258 V HN 0.589 nan 8.190 nan 0.000 0.425 259 V N 3.266 123.151 119.914 -0.049 0.000 3.669 259 V HA 0.297 4.417 4.120 -0.000 0.000 0.203 259 V C 2.034 178.164 176.094 0.059 0.000 1.149 259 V CA 1.241 63.539 62.300 -0.004 0.000 1.346 259 V CB -0.118 31.697 31.823 -0.014 0.000 1.510 259 V HN 0.849 nan 8.190 nan 0.000 0.506 260 G N -0.525 108.307 108.800 0.053 0.000 2.623 260 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.214 260 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.214 260 G C 0.791 175.752 174.900 0.102 0.000 1.138 260 G CA 0.878 46.026 45.100 0.080 0.000 0.794 260 G HN 0.651 nan 8.290 nan 0.000 0.535 261 N N -0.497 118.260 118.700 0.094 0.000 2.778 261 N HA -0.240 4.500 4.740 -0.000 0.000 0.249 261 N C 1.480 177.057 175.510 0.113 0.000 1.069 261 N CA 1.891 55.009 53.050 0.113 0.000 0.831 261 N CB -1.668 36.913 38.487 0.157 0.000 1.142 261 N HN 0.406 nan 8.380 nan 0.000 0.573 262 T N -4.143 110.472 114.554 0.100 0.000 3.072 262 T HA 0.014 4.364 4.350 -0.000 0.000 0.266 262 T C 1.340 176.099 174.700 0.099 0.000 1.127 262 T CA 1.387 63.550 62.100 0.105 0.000 1.107 262 T CB 0.165 69.095 68.868 0.103 0.000 0.910 262 T HN 0.402 nan 8.240 nan 0.000 0.513 263 E N 0.815 121.068 120.200 0.089 0.000 2.207 263 E HA 0.194 4.544 4.350 -0.000 0.000 0.197 263 E C 1.940 178.607 176.600 0.112 0.000 0.914 263 E CA -0.012 56.438 56.400 0.084 0.000 0.914 263 E CB -0.416 29.318 29.700 0.057 0.000 0.893 263 E HN 0.282 nan 8.360 nan 0.000 0.479 264 I N 1.591 122.220 120.570 0.098 0.000 2.264 264 I HA -0.118 4.052 4.170 -0.000 0.000 0.248 264 I C 2.293 178.531 176.117 0.202 0.000 1.111 264 I CA 1.705 63.088 61.300 0.139 0.000 1.382 264 I CB -1.608 36.431 38.000 0.066 0.000 1.060 264 I HN 0.336 nan 8.210 nan 0.000 0.418 265 G N 1.168 110.074 108.800 0.177 0.000 2.432 265 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.219 265 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.219 265 G C 1.622 176.666 174.900 0.240 0.000 1.135 265 G CA 0.299 45.513 45.100 0.190 0.000 0.767 265 G HN 0.210 nan 8.290 nan 0.000 0.550 266 I N 0.943 121.664 120.570 0.251 0.000 2.233 266 I HA -0.046 4.124 4.170 -0.000 0.000 0.243 266 I C 2.556 178.882 176.117 0.348 0.000 1.093 266 I CA 0.871 62.378 61.300 0.345 0.000 1.380 266 I CB -1.249 36.855 38.000 0.173 0.000 1.067 266 I HN 0.316 nan 8.210 nan 0.000 0.413 267 E N 0.379 120.731 120.200 0.253 0.000 2.085 267 E HA -0.223 4.127 4.350 -0.000 0.000 0.194 267 E C 2.301 179.015 176.600 0.190 0.000 0.994 267 E CA 1.368 57.911 56.400 0.238 0.000 0.801 267 E CB -0.105 29.767 29.700 0.288 0.000 0.743 267 E HN 0.450 nan 8.360 nan 0.000 0.453 268 M N 0.096 119.809 119.600 0.188 0.000 2.236 268 M HA -0.095 4.385 4.480 -0.000 0.000 0.266 268 M C 2.271 178.583 176.300 0.020 0.000 1.070 268 M CA 1.026 56.379 55.300 0.088 0.000 1.137 268 M CB 0.043 32.716 32.600 0.123 0.000 1.378 268 M HN -0.135 nan 8.290 nan 0.000 0.426 269 K N 0.472 120.896 120.400 0.041 0.000 2.137 269 K HA 0.002 4.322 4.320 -0.000 0.000 0.202 269 K C 1.078 177.457 176.600 -0.368 0.000 1.052 269 K CA 1.568 57.745 56.287 -0.182 0.000 0.961 269 K CB 0.026 32.383 32.500 -0.239 0.000 0.741 269 K HN 0.201 nan 8.250 nan 0.000 0.452 270 F N -0.103 119.876 119.950 0.050 0.000 2.694 270 F HA 0.280 4.807 4.527 -0.000 0.000 0.292 270 F C 1.145 176.974 175.800 0.049 0.000 1.121 270 F CA -0.038 57.996 58.000 0.056 0.000 1.352 270 F CB 0.549 39.596 39.000 0.079 0.000 1.107 270 F HN -0.189 nan 8.300 nan 0.000 0.597 271 K N 0.067 120.586 120.400 0.198 0.000 2.373 271 K HA 0.190 4.510 4.320 -0.000 0.000 0.202 271 K C -0.097 176.524 176.600 0.035 0.000 1.025 271 K CA 0.051 56.418 56.287 0.133 0.000 1.115 271 K CB -0.392 32.198 32.500 0.151 0.000 0.858 271 K HN 0.111 nan 8.250 nan 0.000 0.525 272 N N 1.840 120.511 118.700 -0.048 0.000 2.714 272 N HA -0.157 4.583 4.740 -0.000 0.000 0.250 272 N C -0.557 174.873 175.510 -0.134 0.000 1.117 272 N CA 0.842 53.800 53.050 -0.154 0.000 0.719 272 N CB -0.746 37.616 38.487 -0.208 0.000 1.081 272 N HN 0.321 nan 8.380 nan 0.000 0.557 273 Q N 0.414 120.136 119.800 -0.129 0.000 2.299 273 Q HA 0.518 4.858 4.340 -0.000 0.000 0.246 273 Q C 0.111 175.853 176.000 -0.430 0.000 0.935 273 Q CA -0.276 55.346 55.803 -0.302 0.000 0.887 273 Q CB 1.650 30.221 28.738 -0.279 0.000 1.223 273 Q HN 0.363 nan 8.270 nan 0.000 0.439 274 L N 2.615 123.456 121.223 -0.636 0.000 2.439 274 L HA 0.474 4.814 4.340 -0.000 0.000 0.270 274 L C -1.825 174.681 176.870 -0.608 0.000 0.972 274 L CA -0.232 54.331 54.840 -0.461 0.000 0.836 274 L CB 1.102 43.036 42.059 -0.207 0.000 1.255 274 L HN 0.445 nan 8.230 nan 0.000 0.404 275 F N 6.994 126.960 119.950 0.027 0.000 2.366 275 F HA 0.484 5.011 4.527 -0.000 0.000 0.366 275 F C -1.293 174.517 175.800 0.016 0.000 1.096 275 F CA -1.348 56.660 58.000 0.014 0.000 1.060 275 F CB 1.177 40.179 39.000 0.004 0.000 1.282 275 F HN 0.446 nan 8.300 nan 0.000 0.450 276 P HA -0.184 nan 4.420 nan 0.000 0.219 276 P C 0.206 177.547 177.300 0.068 0.000 1.146 276 P CA 1.326 64.473 63.100 0.078 0.000 0.808 276 P CB 0.683 32.410 31.700 0.045 0.000 0.779 277 M N -0.130 119.506 119.600 0.059 0.000 2.197 277 M HA 0.434 4.914 4.480 -0.000 0.000 0.301 277 M C -1.475 174.796 176.300 -0.048 0.000 0.987 277 M CA -0.862 54.427 55.300 -0.018 0.000 0.921 277 M CB 1.783 34.321 32.600 -0.102 0.000 1.569 277 M HN -0.312 nan 8.290 nan 0.000 0.431 278 I N 5.270 125.774 120.570 -0.111 0.000 2.603 278 I HA 0.533 4.703 4.170 -0.000 0.000 0.300 278 I C -0.966 174.863 176.117 -0.481 0.000 1.017 278 I CA -0.851 60.273 61.300 -0.293 0.000 1.098 278 I CB 2.422 40.218 38.000 -0.341 0.000 1.279 278 I HN 0.671 nan 8.210 nan 0.000 0.437 279 I N 4.919 125.174 120.570 -0.525 0.000 2.447 279 I HA 0.263 4.433 4.170 -0.000 0.000 0.287 279 I C -0.827 174.933 176.117 -0.595 0.000 1.023 279 I CA -0.478 60.516 61.300 -0.510 0.000 1.083 279 I CB 1.978 39.803 38.000 -0.293 0.000 1.245 279 I HN 0.513 nan 8.210 nan 0.000 0.434 280 C N 9.164 128.049 119.300 -0.692 0.000 2.251 280 C HA 0.522 4.982 4.460 -0.000 0.000 0.323 280 C C -1.535 173.270 174.990 -0.308 0.000 1.241 280 C CA -1.494 57.226 59.018 -0.496 0.000 1.601 280 C CB 0.596 28.097 27.740 -0.398 0.000 2.251 280 C HN 0.610 nan 8.230 nan 0.000 0.488 281 P HA 0.160 nan 4.420 nan 0.000 0.266 281 P C 0.997 178.274 177.300 -0.038 0.000 1.381 281 P CA 0.357 63.389 63.100 -0.113 0.000 0.940 281 P CB 0.230 31.874 31.700 -0.093 0.000 1.435 282 A N -0.132 122.659 122.820 -0.048 0.000 1.986 282 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 282 A C 1.748 179.462 177.584 0.218 0.000 1.171 282 A CA 1.259 53.330 52.037 0.056 0.000 0.640 282 A CB -1.602 17.437 19.000 0.066 0.000 0.811 282 A HN 0.199 nan 8.150 nan 0.000 0.451 283 W N -0.036 121.291 121.300 0.046 0.000 2.467 283 W HA 0.197 4.857 4.660 -0.000 0.000 0.275 283 W C 0.612 177.145 176.519 0.022 0.000 1.239 283 W CA -0.714 56.659 57.345 0.048 0.000 1.266 283 W CB -0.890 28.609 29.460 0.065 0.000 1.112 283 W HN 0.129 nan 8.180 nan 0.000 0.576 284 I N 4.590 125.298 120.570 0.229 0.000 2.752 284 I HA -0.145 4.025 4.170 -0.000 0.000 0.286 284 I C -0.599 175.564 176.117 0.076 0.000 1.180 284 I CA -0.672 60.701 61.300 0.123 0.000 1.404 284 I CB 0.401 38.441 38.000 0.065 0.000 1.389 284 I HN -0.299 nan 8.210 nan 0.000 0.549 285 P HA -0.195 nan 4.420 nan 0.000 0.216 285 P C 1.042 178.342 177.300 0.001 0.000 1.153 285 P CA 1.482 64.594 63.100 0.021 0.000 0.858 285 P CB 0.262 31.969 31.700 0.012 0.000 0.789 286 E N -0.259 119.940 120.200 -0.001 0.000 2.204 286 E HA -0.063 4.287 4.350 -0.000 0.000 0.195 286 E C 1.954 178.541 176.600 -0.022 0.000 0.990 286 E CA 0.689 57.078 56.400 -0.018 0.000 0.821 286 E CB -0.786 28.902 29.700 -0.019 0.000 0.750 286 E HN 0.271 nan 8.360 nan 0.000 0.477 287 L N 0.646 121.864 121.223 -0.008 0.000 2.599 287 L HA 0.077 4.417 4.340 -0.000 0.000 0.230 287 L C 1.009 177.875 176.870 -0.007 0.000 1.141 287 L CA 0.300 55.134 54.840 -0.010 0.000 0.877 287 L CB 0.080 42.137 42.059 -0.003 0.000 1.009 287 L HN 0.150 nan 8.230 nan 0.000 0.447 288 N N -0.293 118.402 118.700 -0.008 0.000 2.143 288 N HA 0.180 4.920 4.740 -0.000 0.000 0.222 288 N C 0.360 175.851 175.510 -0.032 0.000 1.264 288 N CA 0.014 53.057 53.050 -0.011 0.000 0.897 288 N CB 1.228 39.712 38.487 -0.004 0.000 1.092 288 N HN 0.066 nan 8.380 nan 0.000 0.516 289 A N 1.128 123.919 122.820 -0.049 0.000 2.388 289 A HA 0.474 4.794 4.320 -0.000 0.000 0.257 289 A C 0.186 177.683 177.584 -0.145 0.000 1.095 289 A CA 0.015 52.002 52.037 -0.083 0.000 0.791 289 A CB 0.622 19.574 19.000 -0.080 0.000 1.029 289 A HN -0.044 nan 8.150 nan 0.000 0.489 290 V N 3.346 123.143 119.914 -0.195 0.000 2.378 290 V HA 0.360 4.480 4.120 -0.000 0.000 0.288 290 V C -0.335 175.549 176.094 -0.349 0.000 1.016 290 V CA -0.375 61.692 62.300 -0.389 0.000 0.840 290 V CB 1.096 32.697 31.823 -0.370 0.000 0.994 290 V HN 0.981 nan 8.190 nan 0.000 0.431 291 E N 3.706 123.643 120.200 -0.439 0.000 2.199 291 E HA 0.452 4.802 4.350 -0.000 0.000 0.265 291 E C -1.050 175.320 176.600 -0.384 0.000 0.882 291 E CA -0.763 55.466 56.400 -0.284 0.000 0.759 291 E CB 1.822 31.408 29.700 -0.189 0.000 1.148 291 E HN 0.670 nan 8.360 nan 0.000 0.412 292 H N 2.311 121.279 119.070 -0.171 0.000 2.761 292 H HA 0.264 4.820 4.556 -0.000 0.000 0.284 292 H C 0.214 175.522 175.328 -0.034 0.000 1.105 292 H CA -0.294 55.692 56.048 -0.103 0.000 1.352 292 H CB 1.123 30.859 29.762 -0.043 0.000 1.423 292 H HN 0.632 nan 8.280 nan 0.000 0.464 293 G N 2.934 111.749 108.800 0.026 0.000 2.613 293 G HA2 0.176 4.136 3.960 -0.000 0.000 0.303 293 G HA3 0.176 4.136 3.960 -0.000 0.000 0.303 293 G C -1.382 173.624 174.900 0.176 0.000 1.312 293 G CA -1.264 43.867 45.100 0.052 0.000 1.036 293 G HN 0.285 nan 8.290 nan 0.000 0.513 294 P HA 0.010 nan 4.420 nan 0.000 0.225 294 P C 0.741 178.193 177.300 0.253 0.000 1.156 294 P CA 0.931 64.134 63.100 0.171 0.000 0.787 294 P CB 0.545 32.288 31.700 0.071 0.000 0.802 295 E N -0.289 119.999 120.200 0.147 0.000 2.415 295 E HA 0.263 4.613 4.350 -0.000 0.000 0.197 295 E C 1.392 177.953 176.600 -0.065 0.000 1.007 295 E CA 0.580 57.038 56.400 0.096 0.000 0.890 295 E CB 0.566 30.264 29.700 -0.004 0.000 0.891 295 E HN 0.304 nan 8.360 nan 0.000 0.496 296 G N 0.362 108.955 108.800 -0.344 0.000 2.336 296 G HA2 0.313 4.273 3.960 -0.000 0.000 0.286 296 G HA3 0.313 4.273 3.960 -0.000 0.000 0.286 296 G C -1.551 172.989 174.900 -0.599 0.000 1.269 296 G CA -0.942 43.608 45.100 -0.916 0.000 0.873 296 G HN -0.011 nan 8.290 nan 0.000 0.494 297 I N 1.385 121.671 120.570 -0.473 0.000 2.378 297 I HA 0.514 4.684 4.170 -0.000 0.000 0.291 297 I C 0.221 176.014 176.117 -0.540 0.000 0.992 297 I CA -0.680 60.275 61.300 -0.575 0.000 1.154 297 I CB 1.894 39.457 38.000 -0.728 0.000 1.315 297 I HN 0.404 nan 8.210 nan 0.000 0.448 298 S N 6.226 121.563 115.700 -0.604 0.000 2.508 298 S HA 0.671 5.141 4.470 -0.000 0.000 0.284 298 S C -0.952 173.262 174.600 -0.643 0.000 1.192 298 S CA -0.310 57.620 58.200 -0.449 0.000 1.070 298 S CB 0.384 63.405 63.200 -0.298 0.000 1.004 298 S HN 0.322 nan 8.310 nan 0.000 0.493 299 F N 2.140 121.945 119.950 -0.242 0.000 2.507 299 F HA 0.537 5.064 4.527 -0.000 0.000 0.325 299 F C 1.059 176.757 175.800 -0.171 0.000 1.116 299 F CA -0.731 57.143 58.000 -0.210 0.000 0.930 299 F CB 1.658 40.527 39.000 -0.218 0.000 1.146 299 F HN 0.723 nan 8.300 nan 0.000 0.447 300 G N 0.814 109.630 108.800 0.026 0.000 2.491 300 G HA2 0.353 4.313 3.960 -0.000 0.000 0.242 300 G HA3 0.353 4.313 3.960 -0.000 0.000 0.242 300 G C 0.836 175.735 174.900 -0.001 0.000 1.266 300 G CA -0.003 45.090 45.100 -0.011 0.000 0.844 300 G HN 0.975 nan 8.290 nan 0.000 0.571 301 A N 1.941 124.745 122.820 -0.026 0.000 2.024 301 A HA 0.086 4.406 4.320 -0.000 0.000 0.220 301 A C 2.552 180.120 177.584 -0.027 0.000 1.164 301 A CA 2.316 54.334 52.037 -0.033 0.000 0.643 301 A CB -0.294 18.684 19.000 -0.036 0.000 0.806 301 A HN 1.305 nan 8.150 nan 0.000 0.451 302 A N -1.482 121.326 122.820 -0.020 0.000 2.169 302 A HA 0.204 4.524 4.320 -0.000 0.000 0.212 302 A C 1.017 178.584 177.584 -0.029 0.000 1.153 302 A CA 0.235 52.261 52.037 -0.018 0.000 0.756 302 A CB -0.911 18.087 19.000 -0.003 0.000 0.813 302 A HN 0.482 nan 8.150 nan 0.000 0.471 303 C N 1.535 120.819 119.300 -0.027 0.000 2.538 303 C HA 0.382 4.842 4.460 -0.000 0.000 0.408 303 C C 1.409 176.341 174.990 -0.098 0.000 1.421 303 C CA -0.456 58.536 59.018 -0.043 0.000 1.642 303 C CB -1.322 26.431 27.740 0.021 0.000 2.553 303 C HN 0.636 nan 8.230 nan 0.000 0.604 304 A N 4.182 126.926 122.820 -0.127 0.000 2.386 304 A HA 0.365 4.685 4.320 -0.000 0.000 0.248 304 A C 1.135 178.601 177.584 -0.198 0.000 1.082 304 A CA -0.369 51.575 52.037 -0.155 0.000 0.789 304 A CB 0.150 19.030 19.000 -0.199 0.000 1.025 304 A HN 0.951 nan 8.150 nan 0.000 0.490 305 L N 1.791 122.889 121.223 -0.208 0.000 2.127 305 L HA -0.217 4.123 4.340 -0.000 0.000 0.211 305 L C 2.815 179.513 176.870 -0.287 0.000 1.089 305 L CA 1.794 56.460 54.840 -0.291 0.000 0.757 305 L CB -0.520 41.323 42.059 -0.360 0.000 0.899 305 L HN 0.977 nan 8.230 nan 0.000 0.434 306 S N -1.502 114.062 115.700 -0.227 0.000 2.382 306 S HA -0.151 4.319 4.470 -0.000 0.000 0.228 306 S C 2.073 176.561 174.600 -0.186 0.000 1.027 306 S CA 1.333 59.414 58.200 -0.198 0.000 0.991 306 S CB -0.322 62.780 63.200 -0.164 0.000 0.823 306 S HN 0.331 nan 8.310 nan 0.000 0.469 307 S N 1.433 117.023 115.700 -0.184 0.000 2.371 307 S HA 0.023 4.493 4.470 -0.000 0.000 0.224 307 S C 1.990 176.507 174.600 -0.139 0.000 1.029 307 S CA 1.097 59.219 58.200 -0.130 0.000 0.978 307 S CB -0.572 62.571 63.200 -0.095 0.000 0.833 307 S HN 0.425 nan 8.310 nan 0.000 0.466 308 V N 1.931 121.653 119.914 -0.321 0.000 2.332 308 V HA -0.210 3.910 4.120 -0.000 0.000 0.248 308 V C 2.480 178.344 176.094 -0.384 0.000 1.055 308 V CA 2.017 63.929 62.300 -0.646 0.000 1.038 308 V CB -0.605 30.718 31.823 -0.833 0.000 0.651 308 V HN 0.529 nan 8.190 nan 0.000 0.450 309 E N 0.301 120.323 120.200 -0.296 0.000 2.077 309 E HA -0.291 4.059 4.350 -0.000 0.000 0.193 309 E C 2.326 178.837 176.600 -0.147 0.000 0.989 309 E CA 1.676 57.943 56.400 -0.223 0.000 0.800 309 E CB -0.108 29.457 29.700 -0.225 0.000 0.746 309 E HN 0.581 nan 8.360 nan 0.000 0.452 310 K N -0.337 119.989 120.400 -0.122 0.000 2.026 310 K HA -0.124 4.196 4.320 -0.000 0.000 0.208 310 K C 2.054 178.631 176.600 -0.039 0.000 1.048 310 K CA 1.893 58.134 56.287 -0.077 0.000 0.929 310 K CB -0.093 32.364 32.500 -0.071 0.000 0.713 310 K HN 0.072 nan 8.250 nan 0.000 0.439 311 T N 1.550 116.102 114.554 -0.003 0.000 2.746 311 T HA -0.109 4.241 4.350 -0.000 0.000 0.267 311 T C 1.653 176.356 174.700 0.004 0.000 1.039 311 T CA 1.010 63.146 62.100 0.060 0.000 1.142 311 T CB -0.096 68.905 68.868 0.221 0.000 0.866 311 T HN 0.058 nan 8.240 nan 0.000 0.444 312 L N 0.602 121.785 121.223 -0.067 0.000 2.093 312 L HA 0.114 4.454 4.340 -0.000 0.000 0.208 312 L C 2.264 179.101 176.870 -0.055 0.000 1.085 312 L CA 1.239 55.983 54.840 -0.160 0.000 0.755 312 L CB -0.900 41.036 42.059 -0.206 0.000 0.904 312 L HN 0.263 nan 8.230 nan 0.000 0.435 313 L N -1.049 120.148 121.223 -0.043 0.000 2.046 313 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 313 L C 2.455 179.330 176.870 0.008 0.000 1.077 313 L CA 1.269 56.100 54.840 -0.016 0.000 0.747 313 L CB -0.447 41.590 42.059 -0.037 0.000 0.896 313 L HN 0.332 nan 8.230 nan 0.000 0.432 314 E N 0.049 120.251 120.200 0.003 0.000 2.051 314 E HA -0.232 4.118 4.350 -0.000 0.000 0.192 314 E C 2.304 178.930 176.600 0.042 0.000 0.991 314 E CA 1.172 57.580 56.400 0.014 0.000 0.799 314 E CB -0.225 29.480 29.700 0.007 0.000 0.748 314 E HN 0.504 nan 8.360 nan 0.000 0.449 315 A N 1.063 123.921 122.820 0.063 0.000 1.908 315 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 315 A C 2.511 180.202 177.584 0.179 0.000 1.181 315 A CA 1.367 53.488 52.037 0.140 0.000 0.627 315 A CB -0.728 18.348 19.000 0.126 0.000 0.818 315 A HN 0.134 nan 8.150 nan 0.000 0.445 316 V N -0.482 119.528 119.914 0.160 0.000 2.626 316 V HA -0.178 3.942 4.120 -0.000 0.000 0.252 316 V C 2.849 178.997 176.094 0.090 0.000 1.067 316 V CA 1.757 64.147 62.300 0.151 0.000 1.081 316 V CB -0.920 30.979 31.823 0.127 0.000 0.686 316 V HN 0.617 nan 8.190 nan 0.000 0.468 317 A N -0.693 122.164 122.820 0.063 0.000 2.072 317 A HA -0.033 4.287 4.320 -0.000 0.000 0.216 317 A C 2.227 179.830 177.584 0.031 0.000 1.156 317 A CA 1.005 53.065 52.037 0.039 0.000 0.701 317 A CB -0.097 18.918 19.000 0.024 0.000 0.816 317 A HN 0.538 nan 8.150 nan 0.000 0.458 318 K N -1.009 119.414 120.400 0.038 0.000 2.313 318 K HA 0.330 4.650 4.320 -0.000 0.000 0.197 318 K C -0.010 176.602 176.600 0.019 0.000 1.061 318 K CA -0.016 56.283 56.287 0.020 0.000 0.980 318 K CB 0.147 32.651 32.500 0.008 0.000 0.888 318 K HN 0.334 nan 8.250 nan 0.000 0.502 319 L N 2.240 123.490 121.223 0.046 0.000 2.399 319 L HA 0.306 4.646 4.340 -0.000 0.000 0.265 319 L C -2.254 174.623 176.870 0.011 0.000 1.089 319 L CA -2.366 52.487 54.840 0.021 0.000 0.802 319 L CB 0.197 42.289 42.059 0.056 0.000 1.180 319 L HN -0.183 nan 8.230 nan 0.000 0.454 320 P HA 0.052 nan 4.420 nan 0.000 0.269 320 P C 0.498 177.793 177.300 -0.007 0.000 1.209 320 P CA -0.085 63.003 63.100 -0.021 0.000 0.776 320 P CB 0.571 32.243 31.700 -0.047 0.000 0.876 321 T N 0.668 115.227 114.554 0.009 0.000 2.699 321 T HA -0.229 4.121 4.350 -0.000 0.000 0.268 321 T C 1.622 176.328 174.700 0.010 0.000 1.036 321 T CA 1.555 63.670 62.100 0.025 0.000 1.147 321 T CB -0.420 68.471 68.868 0.039 0.000 0.862 321 T HN 0.448 nan 8.240 nan 0.000 0.446 322 Q N 0.621 120.415 119.800 -0.010 0.000 2.364 322 Q HA -0.017 4.323 4.340 -0.000 0.000 0.209 322 Q C 1.790 177.734 176.000 -0.094 0.000 0.977 322 Q CA 1.156 56.933 55.803 -0.043 0.000 0.885 322 Q CB -0.022 28.685 28.738 -0.052 0.000 0.941 322 Q HN 0.228 nan 8.270 nan 0.000 0.464 323 K N -1.064 119.277 120.400 -0.099 0.000 2.361 323 K HA 0.104 4.424 4.320 -0.000 0.000 0.194 323 K C 0.978 177.462 176.600 -0.194 0.000 1.032 323 K CA 1.033 57.232 56.287 -0.146 0.000 1.048 323 K CB 0.578 32.956 32.500 -0.203 0.000 0.842 323 K HN 0.315 nan 8.250 nan 0.000 0.526 324 T N -1.786 112.685 114.554 -0.138 0.000 3.248 324 T HA 0.228 4.578 4.350 -0.000 0.000 0.271 324 T C 0.963 175.583 174.700 -0.134 0.000 1.005 324 T CA -0.370 61.620 62.100 -0.183 0.000 0.902 324 T CB 0.441 69.383 68.868 0.123 0.000 1.102 324 T HN -0.130 nan 8.240 nan 0.000 0.548 325 E N 1.336 121.453 120.200 -0.139 0.000 2.051 325 E HA -0.073 4.277 4.350 -0.000 0.000 0.192 325 E C 2.156 178.698 176.600 -0.098 0.000 0.991 325 E CA 1.005 57.395 56.400 -0.018 0.000 0.799 325 E CB -0.227 29.503 29.700 0.050 0.000 0.748 325 E HN 0.473 nan 8.360 nan 0.000 0.449 326 V N 1.102 120.797 119.914 -0.365 0.000 2.453 326 V HA -0.193 3.926 4.120 -0.000 0.000 0.247 326 V C 2.159 178.113 176.094 -0.233 0.000 1.048 326 V CA 1.239 63.150 62.300 -0.648 0.000 1.049 326 V CB -0.599 30.835 31.823 -0.648 0.000 0.672 326 V HN 0.075 nan 8.190 nan 0.000 0.457 327 F N 0.847 120.708 119.950 -0.147 0.000 2.134 327 F HA -0.114 4.413 4.527 -0.000 0.000 0.299 327 F C 2.563 178.326 175.800 -0.062 0.000 1.097 327 F CA 1.363 59.317 58.000 -0.077 0.000 1.264 327 F CB -1.117 37.879 39.000 -0.006 0.000 1.001 327 F HN 0.053 nan 8.300 nan 0.000 0.479 328 R N 0.239 120.833 120.500 0.157 0.000 2.105 328 R HA -0.084 4.255 4.340 -0.000 0.000 0.239 328 R C 2.542 178.883 176.300 0.068 0.000 1.135 328 R CA 1.319 57.480 56.100 0.101 0.000 0.967 328 R CB -1.123 29.235 30.300 0.097 0.000 0.861 328 R HN 0.343 nan 8.270 nan 0.000 0.442 329 G N -0.944 107.901 108.800 0.075 0.000 2.408 329 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.217 329 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.217 329 G C 1.363 176.276 174.900 0.021 0.000 1.150 329 G CA 0.819 45.989 45.100 0.117 0.000 0.776 329 G HN 0.205 nan 8.290 nan 0.000 0.542 330 V N 0.970 120.873 119.914 -0.018 0.000 2.343 330 V HA -0.110 4.010 4.120 -0.000 0.000 0.247 330 V C 2.901 178.946 176.094 -0.081 0.000 1.051 330 V CA 1.336 63.598 62.300 -0.064 0.000 1.036 330 V CB -0.422 31.387 31.823 -0.022 0.000 0.654 330 V HN 0.331 nan 8.190 nan 0.000 0.451 331 L N -0.090 121.103 121.223 -0.049 0.000 2.046 331 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 331 L C 2.653 179.485 176.870 -0.063 0.000 1.077 331 L CA 1.828 56.625 54.840 -0.071 0.000 0.747 331 L CB -0.565 41.473 42.059 -0.034 0.000 0.896 331 L HN 0.378 nan 8.230 nan 0.000 0.432 332 E N -0.067 120.119 120.200 -0.023 0.000 2.110 332 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 332 E C 2.213 178.827 176.600 0.023 0.000 0.988 332 E CA 1.301 57.705 56.400 0.007 0.000 0.804 332 E CB 0.023 29.720 29.700 -0.004 0.000 0.745 332 E HN 0.318 nan 8.360 nan 0.000 0.458 333 Q N -0.235 119.563 119.800 -0.004 0.000 2.172 333 Q HA -0.018 4.322 4.340 -0.000 0.000 0.200 333 Q C 2.274 178.336 176.000 0.102 0.000 0.964 333 Q CA 0.862 56.696 55.803 0.050 0.000 0.855 333 Q CB -0.093 28.648 28.738 0.005 0.000 0.918 333 Q HN 0.404 nan 8.270 nan 0.000 0.444 334 L N 0.172 121.363 121.223 -0.053 0.000 2.478 334 L HA -0.040 4.300 4.340 -0.000 0.000 0.223 334 L C 2.420 179.201 176.870 -0.148 0.000 1.140 334 L CA 0.262 55.000 54.840 -0.170 0.000 0.842 334 L CB -0.178 41.691 42.059 -0.317 0.000 0.953 334 L HN 0.124 nan 8.230 nan 0.000 0.452 335 R N 0.049 120.433 120.500 -0.193 0.000 2.070 335 R HA -0.157 4.183 4.340 -0.000 0.000 0.233 335 R C 0.264 176.104 176.300 -0.767 0.000 1.137 335 R CA 1.592 57.372 56.100 -0.533 0.000 0.945 335 R CB -0.183 29.740 30.300 -0.627 0.000 0.845 335 R HN 0.343 nan 8.270 nan 0.000 0.430 336 W N -0.127 121.172 121.300 -0.001 0.000 1.770 336 W HA 0.294 4.954 4.660 -0.000 0.000 0.299 336 W C -0.774 175.790 176.519 0.075 0.000 0.803 336 W CA -0.715 56.623 57.345 -0.011 0.000 2.429 336 W CB -0.056 29.358 29.460 -0.076 0.000 2.381 336 W HN -0.079 nan 8.180 nan 0.000 0.496 337 F N 2.173 122.126 119.950 0.006 0.000 2.443 337 F HA 0.682 5.209 4.527 -0.000 0.000 0.369 337 F C 0.770 176.560 175.800 -0.017 0.000 1.090 337 F CA -0.915 57.085 58.000 -0.001 0.000 1.129 337 F CB 0.083 39.057 39.000 -0.043 0.000 1.367 337 F HN 0.186 nan 8.300 nan 0.000 0.465 338 A N 2.786 125.735 122.820 0.215 0.000 6.923 338 A HA 0.038 4.358 4.320 -0.000 0.000 0.267 338 A C 0.590 178.261 177.584 0.144 0.000 2.116 338 A CA 0.441 52.588 52.037 0.183 0.000 0.821 338 A CB -1.571 17.582 19.000 0.255 0.000 1.086 338 A HN 1.391 nan 8.150 nan 0.000 0.409 339 G N -1.141 107.722 108.800 0.105 0.000 2.537 339 G HA2 0.496 4.456 3.960 -0.000 0.000 0.297 339 G HA3 0.496 4.456 3.960 -0.000 0.000 0.297 339 G C 0.697 175.614 174.900 0.028 0.000 1.310 339 G CA 0.165 45.297 45.100 0.053 0.000 1.027 339 G HN 0.849 nan 8.290 nan 0.000 0.505 340 K N -0.471 119.917 120.400 -0.020 0.000 2.097 340 K HA -0.109 4.211 4.320 -0.000 0.000 0.206 340 K C 2.552 179.168 176.600 0.028 0.000 1.049 340 K CA 1.213 57.482 56.287 -0.030 0.000 0.933 340 K CB -0.458 31.996 32.500 -0.076 0.000 0.717 340 K HN 0.503 nan 8.250 nan 0.000 0.442 341 Q N 0.428 120.261 119.800 0.054 0.000 2.096 341 Q HA -0.100 4.240 4.340 -0.000 0.000 0.204 341 Q C 2.213 178.278 176.000 0.108 0.000 0.982 341 Q CA 1.356 57.216 55.803 0.095 0.000 0.850 341 Q CB -0.415 28.382 28.738 0.099 0.000 0.901 341 Q HN 0.041 nan 8.270 nan 0.000 0.422 342 V N 0.535 120.509 119.914 0.101 0.000 2.407 342 V HA -0.165 3.955 4.120 -0.000 0.000 0.245 342 V C 1.865 178.011 176.094 0.087 0.000 1.041 342 V CA 1.503 63.871 62.300 0.113 0.000 1.040 342 V CB -0.337 31.572 31.823 0.142 0.000 0.671 342 V HN 0.285 nan 8.190 nan 0.000 0.455 343 K N 0.132 120.563 120.400 0.051 0.000 2.283 343 K HA -0.076 4.244 4.320 -0.000 0.000 0.202 343 K C 2.195 178.750 176.600 -0.074 0.000 1.048 343 K CA 1.349 57.612 56.287 -0.040 0.000 0.948 343 K CB -0.158 32.278 32.500 -0.107 0.000 0.742 343 K HN 0.345 nan 8.250 nan 0.000 0.458 344 S N 0.415 116.096 115.700 -0.032 0.000 2.522 344 S HA -0.051 4.419 4.470 -0.000 0.000 0.227 344 S C 1.779 176.297 174.600 -0.137 0.000 0.986 344 S CA 0.969 59.114 58.200 -0.092 0.000 0.929 344 S CB 0.256 63.489 63.200 0.055 0.000 0.769 344 S HN 0.287 nan 8.310 nan 0.000 0.529 345 V N -2.474 117.432 119.914 -0.013 0.000 3.473 345 V HA 0.581 4.701 4.120 -0.000 0.000 0.253 345 V C 0.675 176.777 176.094 0.013 0.000 1.340 345 V CA -0.021 62.287 62.300 0.014 0.000 1.103 345 V CB -0.610 31.285 31.823 0.119 0.000 0.881 345 V HN 0.248 nan 8.190 nan 0.000 0.451 346 A N 2.613 125.447 122.820 0.023 0.000 2.492 346 A HA 0.605 4.925 4.320 -0.000 0.000 0.254 346 A C 0.716 178.293 177.584 -0.011 0.000 1.091 346 A CA 0.722 52.781 52.037 0.037 0.000 0.768 346 A CB -0.210 18.843 19.000 0.089 0.000 1.028 346 A HN 1.018 nan 8.150 nan 0.000 0.498 347 S N 2.858 118.556 115.700 -0.002 0.000 2.652 347 S HA 0.428 4.898 4.470 -0.000 0.000 0.270 347 S C 1.083 175.671 174.600 -0.020 0.000 1.243 347 S CA -0.656 57.526 58.200 -0.029 0.000 0.999 347 S CB 0.901 64.090 63.200 -0.019 0.000 0.973 347 S HN 0.707 nan 8.310 nan 0.000 0.544 348 L N 1.427 122.619 121.223 -0.052 0.000 2.005 348 L HA 0.055 4.395 4.340 -0.000 0.000 0.207 348 L C 2.546 179.431 176.870 0.025 0.000 1.072 348 L CA 1.957 56.777 54.840 -0.034 0.000 0.744 348 L CB -1.326 40.664 42.059 -0.115 0.000 0.895 348 L HN 1.023 nan 8.230 nan 0.000 0.433 349 G N -0.941 107.857 108.800 -0.003 0.000 2.442 349 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.219 349 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.219 349 G C 1.456 176.386 174.900 0.049 0.000 1.141 349 G CA 0.703 45.812 45.100 0.015 0.000 0.763 349 G HN 0.559 nan 8.290 nan 0.000 0.554 350 G N 0.749 109.572 108.800 0.037 0.000 2.418 350 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.217 350 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.217 350 G C 1.640 176.590 174.900 0.084 0.000 1.158 350 G CA 1.210 46.337 45.100 0.045 0.000 0.771 350 G HN 0.562 nan 8.290 nan 0.000 0.545 351 N N 0.132 118.901 118.700 0.115 0.000 2.142 351 N HA -0.026 4.714 4.740 -0.000 0.000 0.186 351 N C 2.210 177.832 175.510 0.187 0.000 1.023 351 N CA 1.025 54.166 53.050 0.153 0.000 0.852 351 N CB -0.189 38.415 38.487 0.194 0.000 0.998 351 N HN 0.386 nan 8.380 nan 0.000 0.424 352 I N 0.337 121.047 120.570 0.234 0.000 2.179 352 I HA -0.226 3.943 4.170 -0.000 0.000 0.242 352 I C 1.560 177.894 176.117 0.362 0.000 1.088 352 I CA 0.705 62.209 61.300 0.340 0.000 1.357 352 I CB -0.233 37.939 38.000 0.286 0.000 1.051 352 I HN 0.243 nan 8.210 nan 0.000 0.409 353 I N 0.356 121.060 120.570 0.224 0.000 2.439 353 I HA -0.170 4.000 4.170 -0.000 0.000 0.251 353 I C 2.530 178.720 176.117 0.120 0.000 1.139 353 I CA 1.416 62.817 61.300 0.167 0.000 1.438 353 I CB -1.677 36.368 38.000 0.076 0.000 1.085 353 I HN 0.219 nan 8.210 nan 0.000 0.427 354 T N 1.477 116.091 114.554 0.099 0.000 2.803 354 T HA -0.089 4.261 4.350 -0.000 0.000 0.269 354 T C 1.351 176.076 174.700 0.043 0.000 1.052 354 T CA 1.198 63.327 62.100 0.048 0.000 1.136 354 T CB -0.343 68.552 68.868 0.046 0.000 0.864 354 T HN 0.549 nan 8.240 nan 0.000 0.467 355 A N 1.545 124.442 122.820 0.127 0.000 2.704 355 A HA -0.158 4.162 4.320 -0.000 0.000 0.299 355 A C 0.968 178.517 177.584 -0.059 0.000 1.507 355 A CA 0.722 52.825 52.037 0.110 0.000 0.776 355 A CB -2.182 16.972 19.000 0.256 0.000 1.027 355 A HN 0.559 nan 8.150 nan 0.000 0.475 356 S N -0.460 115.208 115.700 -0.054 0.000 2.562 356 S HA 0.442 4.912 4.470 -0.000 0.000 0.281 356 S C -0.531 174.030 174.600 -0.066 0.000 1.333 356 S CA -0.592 57.574 58.200 -0.056 0.000 1.052 356 S CB 0.643 63.826 63.200 -0.028 0.000 0.884 356 S HN 0.288 nan 8.310 nan 0.000 0.506 357 P HA -0.056 nan 4.420 nan 0.000 0.219 357 P C 0.582 177.869 177.300 -0.023 0.000 1.146 357 P CA 0.903 64.005 63.100 0.004 0.000 0.808 357 P CB -0.130 31.626 31.700 0.092 0.000 0.779 358 I N -5.306 115.251 120.570 -0.021 0.000 3.856 358 I HA 0.269 4.439 4.170 -0.000 0.000 0.333 358 I C 0.400 176.484 176.117 -0.056 0.000 1.525 358 I CA -1.024 60.259 61.300 -0.028 0.000 1.173 358 I CB -0.807 37.181 38.000 -0.018 0.000 1.175 358 I HN -0.295 nan 8.210 nan 0.000 0.424 359 S N 1.077 116.735 115.700 -0.070 0.000 2.549 359 S HA 0.050 4.520 4.470 -0.000 0.000 0.286 359 S C 0.901 175.461 174.600 -0.066 0.000 1.314 359 S CA 0.029 58.190 58.200 -0.066 0.000 1.062 359 S CB 0.295 63.458 63.200 -0.061 0.000 0.865 359 S HN 0.464 nan 8.310 nan 0.000 0.498 360 D N 3.843 124.217 120.400 -0.043 0.000 2.348 360 D HA 0.084 4.724 4.640 -0.000 0.000 0.211 360 D C 1.519 177.765 176.300 -0.089 0.000 0.998 360 D CA 0.518 54.500 54.000 -0.030 0.000 0.873 360 D CB 0.221 41.042 40.800 0.035 0.000 0.925 360 D HN 0.508 nan 8.370 nan 0.000 0.524 361 L N 0.423 121.567 121.223 -0.132 0.000 2.221 361 L HA 0.023 4.363 4.340 -0.000 0.000 0.202 361 L C 2.008 178.501 176.870 -0.628 0.000 1.074 361 L CA 0.305 54.860 54.840 -0.476 0.000 0.795 361 L CB -0.223 41.581 42.059 -0.424 0.000 0.960 361 L HN -0.152 nan 8.230 nan 0.000 0.458 362 N N 0.494 119.061 118.700 -0.223 0.000 2.149 362 N HA -0.141 4.599 4.740 -0.000 0.000 0.188 362 N C -0.862 174.636 175.510 -0.019 0.000 1.019 362 N CA 1.441 54.483 53.050 -0.013 0.000 0.857 362 N CB -1.302 37.162 38.487 -0.039 0.000 0.997 362 N HN 0.228 nan 8.380 nan 0.000 0.426 363 P HA -0.039 nan 4.420 nan 0.000 0.218 363 P C 1.707 179.000 177.300 -0.010 0.000 1.149 363 P CA 0.600 63.671 63.100 -0.049 0.000 0.817 363 P CB 0.201 31.847 31.700 -0.089 0.000 0.785 364 V N -1.371 118.498 119.914 -0.074 0.000 2.379 364 V HA -0.184 3.936 4.120 -0.000 0.000 0.245 364 V C 2.097 178.286 176.094 0.158 0.000 1.044 364 V CA 1.628 63.972 62.300 0.075 0.000 1.036 364 V CB -1.228 30.529 31.823 -0.111 0.000 0.664 364 V HN 0.074 nan 8.190 nan 0.000 0.453 365 F N -0.959 119.030 119.950 0.065 0.000 2.186 365 F HA -0.225 4.302 4.527 -0.000 0.000 0.299 365 F C 2.460 178.292 175.800 0.053 0.000 1.090 365 F CA 1.581 59.594 58.000 0.022 0.000 1.307 365 F CB -0.188 38.819 39.000 0.012 0.000 1.019 365 F HN 0.137 nan 8.300 nan 0.000 0.489 366 M N 0.399 120.170 119.600 0.283 0.000 2.123 366 M HA -0.114 4.366 4.480 -0.000 0.000 0.263 366 M C 2.400 178.812 176.300 0.187 0.000 1.069 366 M CA 1.762 57.201 55.300 0.232 0.000 1.133 366 M CB -0.195 32.558 32.600 0.254 0.000 1.356 366 M HN 0.104 nan 8.290 nan 0.000 0.415 367 A N -0.166 122.768 122.820 0.188 0.000 2.019 367 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 367 A C 2.027 179.774 177.584 0.273 0.000 1.164 367 A CA 1.899 54.047 52.037 0.186 0.000 0.644 367 A CB -0.761 18.305 19.000 0.110 0.000 0.805 367 A HN 0.706 nan 8.150 nan 0.000 0.449 368 S N -2.062 113.798 115.700 0.267 0.000 2.556 368 S HA 0.401 4.871 4.470 -0.000 0.000 0.216 368 S C 1.238 175.874 174.600 0.061 0.000 0.970 368 S CA 0.820 59.101 58.200 0.135 0.000 0.912 368 S CB -0.329 62.827 63.200 -0.072 0.000 0.790 368 S HN 1.829 nan 8.310 nan 0.000 0.504 369 G N 1.775 110.624 108.800 0.081 0.000 2.305 369 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.287 369 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.287 369 G C 0.098 174.983 174.900 -0.024 0.000 1.036 369 G CA 0.360 45.479 45.100 0.031 0.000 0.887 369 G HN 0.561 nan 8.290 nan 0.000 0.505 370 T N 0.666 115.206 114.554 -0.024 0.000 2.933 370 T HA 0.213 4.563 4.350 -0.000 0.000 0.306 370 T C 0.987 175.580 174.700 -0.179 0.000 1.045 370 T CA 0.513 62.543 62.100 -0.118 0.000 1.143 370 T CB 0.562 69.314 68.868 -0.194 0.000 1.003 370 T HN 0.427 nan 8.240 nan 0.000 0.540 371 K N 3.242 123.533 120.400 -0.182 0.000 2.276 371 K HA 0.361 4.681 4.320 -0.000 0.000 0.283 371 K C -0.393 176.073 176.600 -0.224 0.000 1.044 371 K CA -0.291 55.888 56.287 -0.180 0.000 0.944 371 K CB 0.643 33.061 32.500 -0.137 0.000 1.012 371 K HN 0.453 nan 8.250 nan 0.000 0.472 372 L N 2.743 123.827 121.223 -0.233 0.000 2.305 372 L HA 0.288 4.628 4.340 -0.000 0.000 0.284 372 L C -0.176 176.602 176.870 -0.154 0.000 1.013 372 L CA -0.709 53.989 54.840 -0.237 0.000 0.819 372 L CB 1.801 43.649 42.059 -0.351 0.000 1.227 372 L HN 0.549 nan 8.230 nan 0.000 0.417 373 T N 4.716 119.195 114.554 -0.125 0.000 2.733 373 T HA 0.571 4.921 4.350 -0.000 0.000 0.294 373 T C -0.024 174.635 174.700 -0.067 0.000 0.956 373 T CA -0.116 61.931 62.100 -0.088 0.000 0.987 373 T CB 0.500 69.317 68.868 -0.083 0.000 0.920 373 T HN 0.264 nan 8.240 nan 0.000 0.470 374 I N 4.141 124.682 120.570 -0.048 0.000 2.404 374 I HA 0.625 4.795 4.170 -0.000 0.000 0.293 374 I C 0.046 176.147 176.117 -0.028 0.000 0.992 374 I CA -1.094 60.190 61.300 -0.027 0.000 1.149 374 I CB 1.710 39.709 38.000 -0.002 0.000 1.315 374 I HN 0.357 nan 8.210 nan 0.000 0.446 375 V N 1.840 121.737 119.914 -0.027 0.000 3.102 375 V HA 0.899 5.019 4.120 -0.000 0.000 0.312 375 V C -0.557 175.521 176.094 -0.026 0.000 1.135 375 V CA -0.439 61.845 62.300 -0.027 0.000 1.022 375 V CB 1.890 33.696 31.823 -0.029 0.000 1.056 375 V HN 0.769 nan 8.190 nan 0.000 0.436 376 S N 0.630 116.314 115.700 -0.026 0.000 2.625 376 S HA 0.541 5.011 4.470 -0.000 0.000 0.271 376 S C -0.728 173.857 174.600 -0.024 0.000 1.161 376 S CA -0.950 57.234 58.200 -0.026 0.000 0.820 376 S CB 1.980 65.165 63.200 -0.026 0.000 1.137 376 S HN 1.198 nan 8.310 nan 0.000 0.470 377 R N 0.792 121.277 120.500 -0.024 0.000 2.446 377 R HA 0.401 4.741 4.340 -0.000 0.000 0.325 377 R C 1.218 177.505 176.300 -0.021 0.000 0.997 377 R CA 1.640 57.726 56.100 -0.022 0.000 1.010 377 R CB -0.623 29.663 30.300 -0.023 0.000 0.946 377 R HN 1.265 nan 8.270 nan 0.000 0.422 378 G N 2.551 111.339 108.800 -0.020 0.000 2.176 378 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.253 378 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.253 378 G C 0.018 174.907 174.900 -0.019 0.000 0.979 378 G CA 0.454 45.543 45.100 -0.019 0.000 0.641 378 G HN 0.835 nan 8.290 nan 0.000 0.530 379 T N -2.868 111.674 114.554 -0.021 0.000 2.906 379 T HA 0.784 5.134 4.350 -0.000 0.000 0.295 379 T C -0.697 173.989 174.700 -0.023 0.000 1.075 379 T CA -0.133 61.954 62.100 -0.021 0.000 1.005 379 T CB 2.894 71.750 68.868 -0.021 0.000 1.136 379 T HN 0.992 nan 8.240 nan 0.000 0.498 380 R N 0.985 121.471 120.500 -0.023 0.000 2.560 380 R HA 0.547 4.887 4.340 -0.000 0.000 0.267 380 R C -1.386 174.898 176.300 -0.027 0.000 1.150 380 R CA -0.687 55.398 56.100 -0.026 0.000 0.997 380 R CB 1.264 31.547 30.300 -0.028 0.000 1.250 380 R HN 1.049 nan 8.270 nan 0.000 0.433 381 R N 1.342 121.825 120.500 -0.029 0.000 2.707 381 R HA 0.566 4.906 4.340 -0.000 0.000 0.272 381 R C -1.625 174.651 176.300 -0.040 0.000 1.011 381 R CA -0.973 55.108 56.100 -0.030 0.000 0.893 381 R CB 2.326 32.612 30.300 -0.023 0.000 1.233 381 R HN 0.401 nan 8.270 nan 0.000 0.464 382 T N 1.795 116.321 114.554 -0.045 0.000 2.840 382 T HA 0.475 4.825 4.350 -0.000 0.000 0.287 382 T C -0.700 173.963 174.700 -0.063 0.000 0.991 382 T CA -0.647 61.416 62.100 -0.063 0.000 0.964 382 T CB 1.484 70.312 68.868 -0.066 0.000 0.954 382 T HN 0.548 nan 8.240 nan 0.000 0.438 383 V N 1.707 121.571 119.914 -0.083 0.000 2.789 383 V HA 0.862 4.982 4.120 -0.000 0.000 0.311 383 V C -2.929 173.092 176.094 -0.123 0.000 1.073 383 V CA -3.024 59.229 62.300 -0.079 0.000 0.921 383 V CB 2.176 33.969 31.823 -0.051 0.000 1.009 383 V HN 0.575 nan 8.190 nan 0.000 0.426 384 P HA 0.268 nan 4.420 nan 0.000 0.279 384 P C -0.400 176.828 177.300 -0.120 0.000 1.239 384 P CA -0.476 62.563 63.100 -0.101 0.000 0.789 384 P CB 1.258 32.928 31.700 -0.049 0.000 0.933 385 M N 3.890 123.392 119.600 -0.162 0.000 2.217 385 M HA 0.091 4.571 4.480 -0.000 0.000 0.352 385 M C 0.026 176.338 176.300 0.020 0.000 1.376 385 M CA 0.756 55.954 55.300 -0.170 0.000 1.107 385 M CB 0.023 32.525 32.600 -0.163 0.000 1.723 385 M HN 0.461 nan 8.290 nan 0.000 0.461 386 D N 3.657 124.104 120.400 0.078 0.000 2.732 386 D HA 0.111 4.751 4.640 -0.000 0.000 0.292 386 D C 0.726 177.159 176.300 0.221 0.000 1.135 386 D CA -0.329 53.768 54.000 0.161 0.000 1.071 386 D CB 0.044 40.920 40.800 0.127 0.000 1.457 386 D HN 0.801 nan 8.370 nan 0.000 0.547 387 H N -0.965 118.211 119.070 0.177 0.000 2.457 387 H HA -0.120 4.436 4.556 -0.000 0.000 0.297 387 H C 1.335 176.786 175.328 0.204 0.000 1.092 387 H CA 2.160 58.332 56.048 0.206 0.000 1.309 387 H CB -1.064 28.785 29.762 0.145 0.000 1.382 387 H HN 0.496 nan 8.280 nan 0.000 0.535 388 T N -2.584 111.676 114.554 -0.491 0.000 3.085 388 T HA -0.106 4.244 4.350 -0.000 0.000 0.263 388 T C 1.768 176.407 174.700 -0.101 0.000 1.127 388 T CA 0.268 62.181 62.100 -0.312 0.000 1.103 388 T CB -0.905 67.755 68.868 -0.346 0.000 0.921 388 T HN 0.238 nan 8.240 nan 0.000 0.510 389 F N 1.706 121.532 119.950 -0.207 0.000 2.269 389 F HA 0.280 4.807 4.527 -0.000 0.000 0.301 389 F C -0.060 175.408 175.800 -0.554 0.000 1.082 389 F CA -0.338 57.423 58.000 -0.398 0.000 1.360 389 F CB -0.127 38.545 39.000 -0.548 0.000 1.041 389 F HN 0.156 nan 8.300 nan 0.000 0.512 390 F N 0.883 120.827 119.950 -0.010 0.000 2.363 390 F HA 0.344 4.871 4.527 -0.000 0.000 0.366 390 F C -1.718 174.062 175.800 -0.034 0.000 1.083 390 F CA -2.199 55.765 58.000 -0.060 0.000 1.176 390 F CB 0.438 39.474 39.000 0.060 0.000 1.432 390 F HN -0.206 nan 8.300 nan 0.000 0.482 391 P HA -0.096 nan 4.420 nan 0.000 0.215 391 P C 0.057 177.403 177.300 0.076 0.000 1.157 391 P CA 1.278 64.393 63.100 0.026 0.000 0.868 391 P CB 0.303 31.979 31.700 -0.039 0.000 0.788 392 S N -4.394 111.360 115.700 0.089 0.000 2.727 392 S HA 0.292 4.762 4.470 -0.000 0.000 0.278 392 S C -1.171 173.522 174.600 0.156 0.000 1.186 392 S CA -0.968 57.305 58.200 0.121 0.000 0.836 392 S CB -0.050 63.210 63.200 0.100 0.000 1.186 392 S HN -0.048 nan 8.310 nan 0.000 0.499 393 Y N 3.249 123.578 120.300 0.049 0.000 2.887 393 Y HA 0.091 4.641 4.550 -0.000 0.000 0.350 393 Y C 1.376 177.309 175.900 0.055 0.000 1.294 393 Y CA 1.006 59.133 58.100 0.046 0.000 1.622 393 Y CB -0.203 38.279 38.460 0.035 0.000 1.201 393 Y HN 0.769 nan 8.280 nan 0.000 0.546 394 R N 1.997 122.243 120.500 -0.424 0.000 3.953 394 R HA -0.248 4.092 4.340 -0.000 0.000 0.340 394 R C -0.650 175.574 176.300 -0.125 0.000 1.195 394 R CA 1.192 57.067 56.100 -0.375 0.000 0.929 394 R CB -1.749 28.168 30.300 -0.638 0.000 1.402 394 R HN 0.684 nan 8.270 nan 0.000 0.540 395 K N 0.479 120.858 120.400 -0.036 0.000 2.267 395 K HA 0.509 4.829 4.320 -0.000 0.000 0.246 395 K C 0.480 177.021 176.600 -0.098 0.000 0.954 395 K CA -0.273 55.982 56.287 -0.052 0.000 0.824 395 K CB 2.141 34.613 32.500 -0.047 0.000 1.167 395 K HN 0.156 nan 8.250 nan 0.000 0.431 396 T N -2.201 112.184 114.554 -0.281 0.000 2.907 396 T HA 0.389 4.739 4.350 -0.000 0.000 0.290 396 T C 0.269 174.555 174.700 -0.690 0.000 1.066 396 T CA -0.955 60.698 62.100 -0.746 0.000 1.012 396 T CB 0.586 68.932 68.868 -0.870 0.000 1.184 396 T HN 0.385 nan 8.240 nan 0.000 0.522 397 L N 1.328 121.938 121.223 -1.021 0.000 2.919 397 L HA 0.325 4.665 4.340 -0.000 0.000 0.242 397 L C -0.446 176.256 176.870 -0.281 0.000 1.366 397 L CA -0.146 54.397 54.840 -0.496 0.000 1.212 397 L CB -0.786 41.064 42.059 -0.348 0.000 1.604 397 L HN 0.366 nan 8.230 nan 0.000 0.433 398 L N -0.137 120.938 121.223 -0.247 0.000 2.329 398 L HA 0.540 4.880 4.340 -0.000 0.000 0.279 398 L C 0.871 177.687 176.870 -0.090 0.000 1.014 398 L CA -0.543 54.230 54.840 -0.111 0.000 0.814 398 L CB 1.808 43.821 42.059 -0.077 0.000 1.257 398 L HN 0.174 nan 8.230 nan 0.000 0.424 399 G N 1.848 110.613 108.800 -0.059 0.000 2.569 399 G HA2 0.255 4.215 3.960 -0.000 0.000 0.249 399 G HA3 0.255 4.215 3.960 -0.000 0.000 0.249 399 G C -1.442 173.431 174.900 -0.046 0.000 1.216 399 G CA -0.845 44.225 45.100 -0.050 0.000 0.845 399 G HN 0.514 nan 8.290 nan 0.000 0.568 400 P HA -0.094 nan 4.420 nan 0.000 0.219 400 P C 0.782 178.062 177.300 -0.033 0.000 1.146 400 P CA 1.177 64.257 63.100 -0.034 0.000 0.808 400 P CB 0.441 32.127 31.700 -0.023 0.000 0.779 401 E N -0.557 119.624 120.200 -0.032 0.000 2.474 401 E HA 0.048 4.398 4.350 -0.000 0.000 0.194 401 E C 0.529 177.109 176.600 -0.033 0.000 1.041 401 E CA 0.174 56.555 56.400 -0.031 0.000 0.874 401 E CB -0.066 29.615 29.700 -0.031 0.000 0.914 401 E HN 0.492 nan 8.360 nan 0.000 0.498 402 E N 0.466 120.646 120.200 -0.034 0.000 2.319 402 E HA 0.407 4.757 4.350 -0.000 0.000 0.268 402 E C -0.342 176.238 176.600 -0.033 0.000 1.050 402 E CA -0.595 55.787 56.400 -0.031 0.000 0.878 402 E CB 1.290 30.974 29.700 -0.026 0.000 1.066 402 E HN 0.032 nan 8.360 nan 0.000 0.406 403 I N -1.246 119.306 120.570 -0.030 0.000 2.865 403 I HA 0.342 4.512 4.170 -0.000 0.000 0.302 403 I C -1.245 174.858 176.117 -0.023 0.000 1.140 403 I CA -1.295 59.986 61.300 -0.032 0.000 1.021 403 I CB 1.094 39.068 38.000 -0.043 0.000 1.233 403 I HN 0.282 nan 8.210 nan 0.000 0.427 404 L N 4.560 125.772 121.223 -0.018 0.000 2.315 404 L HA 0.364 4.704 4.340 -0.000 0.000 0.283 404 L C 0.383 177.231 176.870 -0.037 0.000 1.089 404 L CA 0.075 54.903 54.840 -0.020 0.000 0.833 404 L CB 0.937 42.993 42.059 -0.006 0.000 1.170 404 L HN 0.884 nan 8.230 nan 0.000 0.442 405 L N 3.946 125.142 121.223 -0.045 0.000 2.145 405 L HA 0.322 4.662 4.340 -0.000 0.000 0.201 405 L C 0.653 177.489 176.870 -0.056 0.000 1.075 405 L CA 1.388 56.200 54.840 -0.047 0.000 0.773 405 L CB -0.035 41.996 42.059 -0.047 0.000 0.936 405 L HN 0.858 nan 8.230 nan 0.000 0.451 406 S N -1.794 113.861 115.700 -0.074 0.000 2.596 406 S HA 0.662 5.132 4.470 -0.000 0.000 0.270 406 S C -1.021 173.506 174.600 -0.122 0.000 1.155 406 S CA -0.802 57.346 58.200 -0.086 0.000 0.827 406 S CB 1.578 64.724 63.200 -0.090 0.000 1.130 406 S HN -0.066 nan 8.310 nan 0.000 0.467 407 I N 1.049 121.541 120.570 -0.130 0.000 2.499 407 I HA 0.484 4.654 4.170 -0.000 0.000 0.288 407 I C -0.426 175.591 176.117 -0.167 0.000 1.048 407 I CA -0.205 60.970 61.300 -0.207 0.000 1.062 407 I CB 1.962 39.770 38.000 -0.319 0.000 1.238 407 I HN 0.866 nan 8.210 nan 0.000 0.426 408 E N 6.808 126.890 120.200 -0.196 0.000 2.092 408 E HA 0.482 4.832 4.350 -0.000 0.000 0.271 408 E C -0.976 175.527 176.600 -0.161 0.000 0.919 408 E CA -0.520 55.776 56.400 -0.172 0.000 0.760 408 E CB 0.895 30.492 29.700 -0.171 0.000 1.106 408 E HN 0.514 nan 8.360 nan 0.000 0.408 409 I N 7.598 128.115 120.570 -0.089 0.000 2.396 409 I HA 0.197 4.367 4.170 -0.000 0.000 0.289 409 I C -1.822 174.325 176.117 0.049 0.000 1.056 409 I CA -1.975 59.328 61.300 0.005 0.000 1.365 409 I CB 0.698 38.783 38.000 0.143 0.000 1.407 409 I HN 0.364 nan 8.210 nan 0.000 0.509 410 P HA 0.024 nan 4.420 nan 0.000 0.271 410 P C -1.033 176.075 177.300 -0.319 0.000 1.218 410 P CA 0.087 63.089 63.100 -0.165 0.000 0.780 410 P CB 0.531 32.155 31.700 -0.127 0.000 0.901 411 Y N 0.090 120.255 120.300 -0.224 0.000 2.326 411 Y HA 0.111 4.661 4.550 -0.000 0.000 0.333 411 Y C 1.833 177.522 175.900 -0.352 0.000 1.240 411 Y CA -0.144 57.710 58.100 -0.409 0.000 1.365 411 Y CB 0.803 39.150 38.460 -0.188 0.000 1.289 411 Y HN 0.324 nan 8.280 nan 0.000 0.548 412 S N 2.345 117.921 115.700 -0.206 0.000 2.584 412 S HA 0.398 4.867 4.470 -0.000 0.000 0.273 412 S C -0.189 174.332 174.600 -0.132 0.000 1.311 412 S CA -0.668 57.422 58.200 -0.182 0.000 1.034 412 S CB 0.401 63.483 63.200 -0.197 0.000 0.939 412 S HN 0.614 nan 8.310 nan 0.000 0.513 413 R N 1.419 121.837 120.500 -0.137 0.000 2.700 413 R HA 0.417 4.757 4.340 -0.000 0.000 0.253 413 R C -0.241 175.954 176.300 -0.175 0.000 1.091 413 R CA -0.994 55.031 56.100 -0.125 0.000 1.104 413 R CB 0.391 30.634 30.300 -0.095 0.000 1.202 413 R HN 0.609 nan 8.270 nan 0.000 0.532 414 E N 1.706 121.822 120.200 -0.140 0.000 2.398 414 E HA -0.058 4.292 4.350 -0.000 0.000 0.263 414 E C -0.259 176.224 176.600 -0.195 0.000 1.046 414 E CA 0.556 56.865 56.400 -0.151 0.000 0.908 414 E CB 0.228 29.877 29.700 -0.085 0.000 0.963 414 E HN 0.554 nan 8.360 nan 0.000 0.431 415 D N 0.722 120.967 120.400 -0.258 0.000 3.059 415 D HA -0.216 4.424 4.640 -0.000 0.000 0.220 415 D C -0.055 176.004 176.300 -0.402 0.000 1.169 415 D CA 1.149 55.023 54.000 -0.210 0.000 0.902 415 D CB -0.696 40.111 40.800 0.012 0.000 1.116 415 D HN 0.527 nan 8.370 nan 0.000 0.417 416 E N -0.350 119.411 120.200 -0.731 0.000 2.199 416 E HA 0.513 4.863 4.350 -0.000 0.000 0.265 416 E C -0.925 175.202 176.600 -0.788 0.000 0.882 416 E CA -0.518 55.551 56.400 -0.552 0.000 0.759 416 E CB 1.074 30.620 29.700 -0.257 0.000 1.148 416 E HN -0.112 nan 8.360 nan 0.000 0.412 417 F N 3.168 123.168 119.950 0.084 0.000 2.561 417 F HA 0.596 5.123 4.527 -0.000 0.000 0.321 417 F C -0.606 175.358 175.800 0.275 0.000 1.065 417 F CA -0.944 57.131 58.000 0.124 0.000 0.934 417 F CB 1.498 40.516 39.000 0.031 0.000 1.215 417 F HN 0.371 nan 8.300 nan 0.000 0.471 418 F N 0.345 120.464 119.950 0.282 0.000 2.588 418 F HA 0.731 5.258 4.527 -0.000 0.000 0.310 418 F C -0.751 175.122 175.800 0.122 0.000 1.082 418 F CA -0.341 57.761 58.000 0.169 0.000 0.929 418 F CB 2.044 41.057 39.000 0.022 0.000 1.254 418 F HN 0.389 nan 8.300 nan 0.000 0.455 419 S N 2.319 117.748 115.700 -0.452 0.000 2.541 419 S HA 0.901 5.371 4.470 -0.000 0.000 0.271 419 S C -1.523 172.580 174.600 -0.829 0.000 1.133 419 S CA -0.624 57.307 58.200 -0.449 0.000 0.876 419 S CB 1.850 64.927 63.200 -0.204 0.000 1.105 419 S HN 0.874 nan 8.310 nan 0.000 0.470 420 A N 2.166 124.496 122.820 -0.817 0.000 2.398 420 A HA 0.895 5.215 4.320 -0.000 0.000 0.301 420 A C -1.524 175.488 177.584 -0.953 0.000 1.041 420 A CA -0.510 51.129 52.037 -0.665 0.000 0.711 420 A CB 0.618 19.490 19.000 -0.213 0.000 1.240 420 A HN 0.605 nan 8.150 nan 0.000 0.420 421 F N 0.856 120.544 119.950 -0.435 0.000 2.588 421 F HA 0.757 5.284 4.527 -0.000 0.000 0.314 421 F C 0.150 175.584 175.800 -0.610 0.000 1.069 421 F CA -0.605 56.990 58.000 -0.674 0.000 0.931 421 F CB 2.637 40.787 39.000 -1.417 0.000 1.260 421 F HN 0.575 nan 8.300 nan 0.000 0.465 422 K N 1.952 122.229 120.400 -0.204 0.000 2.550 422 K HA 0.489 4.809 4.320 -0.000 0.000 0.252 422 K C -1.998 174.717 176.600 0.192 0.000 0.943 422 K CA -0.712 55.584 56.287 0.016 0.000 0.806 422 K CB 2.086 34.614 32.500 0.046 0.000 1.289 422 K HN 0.592 nan 8.250 nan 0.000 0.435 423 Q N 2.966 122.957 119.800 0.318 0.000 2.303 423 Q HA 0.614 4.954 4.340 -0.000 0.000 0.267 423 Q C -1.790 174.317 176.000 0.179 0.000 1.011 423 Q CA -0.319 55.657 55.803 0.288 0.000 0.740 423 Q CB 1.995 30.946 28.738 0.355 0.000 1.250 423 Q HN 0.752 nan 8.270 nan 0.000 0.458 424 A N 2.056 124.958 122.820 0.135 0.000 2.889 424 A HA 0.727 5.047 4.320 -0.000 0.000 0.235 424 A C 0.492 178.151 177.584 0.124 0.000 1.307 424 A CA -0.010 52.093 52.037 0.109 0.000 0.917 424 A CB 0.665 19.698 19.000 0.055 0.000 1.546 424 A HN 0.700 nan 8.150 nan 0.000 0.472 425 S N -0.892 114.858 115.700 0.084 0.000 2.388 425 S HA 0.091 4.561 4.470 -0.000 0.000 0.223 425 S C 1.018 175.627 174.600 0.016 0.000 1.034 425 S CA 0.865 59.104 58.200 0.065 0.000 0.963 425 S CB -0.080 63.149 63.200 0.048 0.000 0.827 425 S HN 0.583 nan 8.310 nan 0.000 0.481 426 R N 0.587 121.081 120.500 -0.011 0.000 2.621 426 R HA 0.428 4.768 4.340 -0.000 0.000 0.292 426 R C 0.886 177.144 176.300 -0.070 0.000 0.969 426 R CA -0.706 55.365 56.100 -0.049 0.000 0.887 426 R CB 0.997 31.260 30.300 -0.060 0.000 1.180 426 R HN 0.036 nan 8.270 nan 0.000 0.450 427 R N 1.582 121.985 120.500 -0.161 0.000 2.080 427 R HA -0.127 4.213 4.340 -0.000 0.000 0.236 427 R C -0.344 175.890 176.300 -0.111 0.000 1.137 427 R CA 1.725 57.628 56.100 -0.328 0.000 0.943 427 R CB 0.024 29.916 30.300 -0.681 0.000 0.846 427 R HN 0.570 nan 8.270 nan 0.000 0.431 428 E N 1.064 121.283 120.200 0.033 0.000 2.366 428 E HA 0.027 4.377 4.350 -0.000 0.000 0.266 428 E C -0.700 175.985 176.600 0.141 0.000 1.051 428 E CA -0.055 56.489 56.400 0.240 0.000 0.884 428 E CB 0.684 30.512 29.700 0.215 0.000 1.006 428 E HN 0.146 nan 8.360 nan 0.000 0.417 429 D N 1.758 122.253 120.400 0.158 0.000 3.783 429 D HA -0.228 4.412 4.640 -0.000 0.000 0.188 429 D C -1.243 175.080 176.300 0.038 0.000 1.235 429 D CA 1.070 55.122 54.000 0.088 0.000 0.815 429 D CB -0.435 40.420 40.800 0.091 0.000 0.923 429 D HN 0.401 nan 8.370 nan 0.000 0.462 430 D N 1.799 122.206 120.400 0.011 0.000 2.803 430 D HA 0.295 4.935 4.640 -0.000 0.000 0.218 430 D C -0.364 175.914 176.300 -0.038 0.000 1.245 430 D CA -0.650 53.344 54.000 -0.009 0.000 0.821 430 D CB 0.930 41.732 40.800 0.004 0.000 1.626 430 D HN 0.220 nan 8.370 nan 0.000 0.487 431 I N 1.938 122.486 120.570 -0.037 0.000 2.668 431 I HA 0.248 4.418 4.170 -0.000 0.000 0.285 431 I C 0.924 177.033 176.117 -0.013 0.000 1.168 431 I CA -0.122 61.150 61.300 -0.047 0.000 1.424 431 I CB 0.664 38.647 38.000 -0.027 0.000 1.377 431 I HN 0.448 nan 8.210 nan 0.000 0.560 432 A N 7.550 130.357 122.820 -0.022 0.000 2.425 432 A HA 0.215 4.535 4.320 -0.000 0.000 0.249 432 A C 0.918 178.521 177.584 0.032 0.000 1.084 432 A CA -0.283 51.767 52.037 0.021 0.000 0.781 432 A CB 0.459 19.470 19.000 0.019 0.000 1.019 432 A HN 0.854 nan 8.150 nan 0.000 0.490 433 K N 1.206 121.639 120.400 0.055 0.000 1.997 433 K HA 0.138 4.458 4.320 -0.000 0.000 0.212 433 K C 0.039 176.652 176.600 0.022 0.000 1.033 433 K CA 0.887 57.193 56.287 0.031 0.000 0.950 433 K CB -0.233 32.287 32.500 0.032 0.000 0.751 433 K HN 0.485 nan 8.250 nan 0.000 0.444 434 V N 1.116 121.051 119.914 0.034 0.000 2.532 434 V HA 0.302 4.422 4.120 -0.000 0.000 0.295 434 V C -0.143 176.114 176.094 0.271 0.000 1.041 434 V CA -0.529 61.845 62.300 0.124 0.000 0.926 434 V CB 1.577 33.427 31.823 0.045 0.000 0.992 434 V HN 0.405 nan 8.190 nan 0.000 0.457 435 T N 3.296 117.997 114.554 0.245 0.000 2.923 435 T HA 0.678 5.028 4.350 -0.000 0.000 0.311 435 T C -0.943 173.800 174.700 0.072 0.000 1.183 435 T CA -0.229 61.950 62.100 0.132 0.000 1.020 435 T CB 1.134 70.028 68.868 0.043 0.000 1.165 435 T HN 1.224 nan 8.240 nan 0.000 0.482 436 C N 1.151 120.396 119.300 -0.092 0.000 3.318 436 C HA 1.036 5.496 4.460 -0.000 0.000 0.322 436 C C 0.041 174.843 174.990 -0.315 0.000 1.398 436 C CA -0.473 58.394 59.018 -0.253 0.000 1.339 436 C CB 0.952 28.409 27.740 -0.473 0.000 1.668 436 C HN 1.244 nan 8.230 nan 0.000 0.462 437 G N 1.056 109.630 108.800 -0.376 0.000 2.643 437 G HA2 0.711 4.671 3.960 -0.000 0.000 0.305 437 G HA3 0.711 4.671 3.960 -0.000 0.000 0.305 437 G C -1.256 173.248 174.900 -0.661 0.000 1.387 437 G CA -0.630 44.220 45.100 -0.417 0.000 0.982 437 G HN 0.854 nan 8.290 nan 0.000 0.501 438 M N 1.952 120.869 119.600 -1.138 0.000 2.327 438 M HA 0.541 5.021 4.480 -0.000 0.000 0.298 438 M C -0.405 175.147 176.300 -1.247 0.000 1.065 438 M CA -0.750 53.863 55.300 -1.145 0.000 0.916 438 M CB 3.352 35.040 32.600 -1.519 0.000 1.630 438 M HN 0.523 nan 8.290 nan 0.000 0.442 439 R N 1.809 122.001 120.500 -0.513 0.000 2.673 439 R HA 0.870 5.210 4.340 -0.000 0.000 0.281 439 R C -2.190 174.222 176.300 0.187 0.000 0.991 439 R CA -0.694 55.387 56.100 -0.031 0.000 0.896 439 R CB 2.662 33.079 30.300 0.196 0.000 1.201 439 R HN 0.629 nan 8.270 nan 0.000 0.457 440 V N 5.351 125.398 119.914 0.220 0.000 2.808 440 V HA 0.611 4.731 4.120 -0.000 0.000 0.308 440 V C -1.927 174.043 176.094 -0.208 0.000 1.099 440 V CA -0.825 61.452 62.300 -0.039 0.000 0.920 440 V CB 1.976 33.634 31.823 -0.274 0.000 1.014 440 V HN 0.717 nan 8.190 nan 0.000 0.425 441 L N 6.875 127.909 121.223 -0.315 0.000 2.376 441 L HA 0.741 5.081 4.340 -0.000 0.000 0.275 441 L C -1.333 175.345 176.870 -0.321 0.000 0.987 441 L CA 0.082 54.779 54.840 -0.238 0.000 0.828 441 L CB 1.471 43.463 42.059 -0.112 0.000 1.249 441 L HN 0.577 nan 8.230 nan 0.000 0.409 442 F N 2.120 122.044 119.950 -0.044 0.000 2.450 442 F HA 0.545 5.072 4.527 -0.000 0.000 0.328 442 F C 0.718 176.495 175.800 -0.038 0.000 1.068 442 F CA -0.564 57.418 58.000 -0.031 0.000 1.007 442 F CB 0.796 39.789 39.000 -0.013 0.000 1.251 442 F HN 0.394 nan 8.300 nan 0.000 0.492 443 Q N 1.235 121.137 119.800 0.170 0.000 2.421 443 Q HA 0.151 4.491 4.340 -0.000 0.000 0.255 443 Q C -2.308 173.745 176.000 0.088 0.000 1.013 443 Q CA -1.708 54.144 55.803 0.082 0.000 0.895 443 Q CB -0.004 28.762 28.738 0.048 0.000 1.271 443 Q HN 0.179 nan 8.270 nan 0.000 0.460 444 P HA -0.121 nan 4.420 nan 0.000 0.255 444 P C 0.425 177.748 177.300 0.039 0.000 1.151 444 P CA 1.460 64.582 63.100 0.037 0.000 0.767 444 P CB -0.050 31.664 31.700 0.023 0.000 0.736 445 G N 2.428 111.247 108.800 0.032 0.000 2.269 445 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.277 445 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.277 445 G C 0.396 175.302 174.900 0.011 0.000 1.008 445 G CA 0.609 45.719 45.100 0.018 0.000 0.774 445 G HN 0.763 nan 8.290 nan 0.000 0.511 446 S N -1.869 113.843 115.700 0.020 0.000 2.798 446 S HA 0.806 5.276 4.470 -0.000 0.000 0.312 446 S C 0.790 175.315 174.600 -0.125 0.000 1.122 446 S CA -0.495 57.717 58.200 0.021 0.000 0.949 446 S CB 1.585 64.839 63.200 0.089 0.000 1.235 446 S HN 0.155 nan 8.310 nan 0.000 0.552 447 M N 0.428 120.006 119.600 -0.037 0.000 2.484 447 M HA 0.288 4.767 4.480 -0.000 0.000 0.307 447 M C 0.216 176.627 176.300 0.184 0.000 1.149 447 M CA -0.002 55.194 55.300 -0.173 0.000 0.972 447 M CB 0.386 33.032 32.600 0.076 0.000 1.400 447 M HN 0.718 nan 8.290 nan 0.000 0.508 448 Q N 2.014 121.838 119.800 0.039 0.000 2.331 448 Q HA 0.331 4.671 4.340 -0.000 0.000 0.257 448 Q C -0.755 175.321 176.000 0.126 0.000 0.957 448 Q CA -0.402 55.203 55.803 -0.331 0.000 0.923 448 Q CB 1.369 29.656 28.738 -0.752 0.000 1.212 448 Q HN 0.104 nan 8.270 nan 0.000 0.443 449 V N 5.427 125.410 119.914 0.116 0.000 2.540 449 V HA -0.082 4.038 4.120 -0.000 0.000 0.297 449 V C 1.089 177.156 176.094 -0.045 0.000 1.024 449 V CA 0.751 63.043 62.300 -0.013 0.000 1.105 449 V CB 0.846 32.721 31.823 0.086 0.000 0.938 449 V HN 0.889 nan 8.190 nan 0.000 0.482 450 K N 3.492 123.841 120.400 -0.084 0.000 2.240 450 K HA 0.230 4.550 4.320 -0.000 0.000 0.202 450 K C 0.362 176.939 176.600 -0.037 0.000 1.053 450 K CA 0.392 56.654 56.287 -0.042 0.000 0.973 450 K CB 0.567 33.049 32.500 -0.030 0.000 0.924 450 K HN 0.829 nan 8.250 nan 0.000 0.477 451 E N 0.514 120.674 120.200 -0.067 0.000 2.340 451 E HA 0.361 4.711 4.350 -0.000 0.000 0.273 451 E C -1.874 174.714 176.600 -0.020 0.000 0.891 451 E CA -0.854 55.531 56.400 -0.027 0.000 0.757 451 E CB 2.502 32.192 29.700 -0.017 0.000 1.231 451 E HN -0.023 nan 8.360 nan 0.000 0.439 452 L N 1.445 122.694 121.223 0.043 0.000 2.505 452 L HA 0.727 5.067 4.340 -0.000 0.000 0.266 452 L C -1.952 174.976 176.870 0.098 0.000 0.954 452 L CA -0.296 54.612 54.840 0.112 0.000 0.852 452 L CB 1.926 44.099 42.059 0.191 0.000 1.282 452 L HN 0.681 nan 8.230 nan 0.000 0.403 453 A N 5.974 128.846 122.820 0.087 0.000 2.353 453 A HA 0.802 5.122 4.320 -0.000 0.000 0.299 453 A C -1.650 175.918 177.584 -0.026 0.000 1.089 453 A CA -0.358 51.705 52.037 0.044 0.000 0.736 453 A CB 1.004 20.035 19.000 0.052 0.000 1.195 453 A HN 0.636 nan 8.150 nan 0.000 0.447 454 L N 2.577 123.794 121.223 -0.010 0.000 2.353 454 L HA 0.377 4.717 4.340 -0.000 0.000 0.270 454 L C -0.974 175.840 176.870 -0.094 0.000 1.003 454 L CA -0.406 54.377 54.840 -0.094 0.000 0.862 454 L CB 1.242 43.343 42.059 0.071 0.000 1.221 454 L HN 0.688 nan 8.230 nan 0.000 0.430 455 C N 2.320 121.483 119.300 -0.227 0.000 2.329 455 C HA 0.663 5.123 4.460 -0.000 0.000 0.329 455 C C -0.289 174.556 174.990 -0.240 0.000 1.275 455 C CA -0.819 58.141 59.018 -0.098 0.000 1.726 455 C CB 0.405 28.138 27.740 -0.011 0.000 2.291 455 C HN 0.495 nan 8.230 nan 0.000 0.514 456 Y N 0.588 120.898 120.300 0.017 0.000 2.485 456 Y HA 0.676 5.226 4.550 -0.000 0.000 0.345 456 Y C 0.679 176.575 175.900 -0.006 0.000 0.998 456 Y CA -0.215 57.895 58.100 0.016 0.000 1.059 456 Y CB 1.776 40.253 38.460 0.029 0.000 1.234 456 Y HN 0.838 nan 8.280 nan 0.000 0.461 457 G N -0.633 108.266 108.800 0.165 0.000 2.511 457 G HA2 0.470 4.430 3.960 -0.000 0.000 0.318 457 G HA3 0.470 4.430 3.960 -0.000 0.000 0.318 457 G C 0.501 175.451 174.900 0.082 0.000 1.210 457 G CA -0.580 44.559 45.100 0.065 0.000 0.969 457 G HN 1.252 nan 8.290 nan 0.000 0.484 458 G N -0.130 108.692 108.800 0.037 0.000 2.168 458 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.263 458 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.263 458 G C 0.916 175.815 174.900 -0.002 0.000 0.977 458 G CA 0.922 46.034 45.100 0.020 0.000 0.659 458 G HN 0.525 nan 8.290 nan 0.000 0.533 459 M N -0.353 119.249 119.600 0.003 0.000 2.347 459 M HA 0.657 5.137 4.480 -0.000 0.000 0.302 459 M C 0.811 177.097 176.300 -0.025 0.000 1.051 459 M CA 0.669 55.946 55.300 -0.040 0.000 0.988 459 M CB 0.057 32.605 32.600 -0.087 0.000 1.475 459 M HN 1.175 nan 8.290 nan 0.000 0.530 460 A N 0.544 123.364 122.820 0.001 0.000 2.438 460 A HA 0.474 4.794 4.320 -0.000 0.000 0.301 460 A C -0.908 176.696 177.584 0.033 0.000 1.101 460 A CA -0.412 51.632 52.037 0.012 0.000 0.621 460 A CB 0.076 19.092 19.000 0.026 0.000 1.350 460 A HN 0.248 nan 8.150 nan 0.000 0.496 461 D N -0.103 120.328 120.400 0.053 0.000 2.344 461 D HA 0.283 4.923 4.640 -0.000 0.000 0.242 461 D C 0.401 176.816 176.300 0.191 0.000 1.159 461 D CA 0.356 54.428 54.000 0.121 0.000 0.859 461 D CB -0.414 40.432 40.800 0.076 0.000 0.925 461 D HN 0.762 nan 8.370 nan 0.000 0.510 462 R N -3.527 117.029 120.500 0.094 0.000 2.774 462 R HA 0.381 4.721 4.340 -0.000 0.000 0.279 462 R C -1.358 174.925 176.300 -0.029 0.000 1.022 462 R CA -0.938 55.181 56.100 0.031 0.000 0.855 462 R CB -0.279 30.078 30.300 0.095 0.000 1.279 462 R HN -0.188 nan 8.270 nan 0.000 0.485 463 T N 2.511 116.958 114.554 -0.178 0.000 2.870 463 T HA 0.392 4.742 4.350 -0.000 0.000 0.300 463 T C 0.504 175.224 174.700 0.034 0.000 0.989 463 T CA -0.103 61.915 62.100 -0.137 0.000 1.139 463 T CB -0.100 68.552 68.868 -0.360 0.000 0.920 463 T HN 0.428 nan 8.240 nan 0.000 0.537 464 I N -0.757 119.872 120.570 0.098 0.000 3.108 464 I HA 0.864 5.034 4.170 -0.000 0.000 0.312 464 I C -0.371 175.850 176.117 0.172 0.000 1.095 464 I CA -1.087 60.303 61.300 0.151 0.000 1.000 464 I CB 2.444 40.516 38.000 0.121 0.000 1.229 464 I HN 0.485 nan 8.210 nan 0.000 0.454 465 S N 1.812 117.608 115.700 0.160 0.000 2.502 465 S HA 0.723 5.193 4.470 -0.000 0.000 0.304 465 S C -0.089 174.564 174.600 0.088 0.000 1.097 465 S CA -0.469 57.809 58.200 0.131 0.000 1.045 465 S CB 1.582 64.849 63.200 0.111 0.000 1.019 465 S HN 0.947 nan 8.310 nan 0.000 0.481 466 A N 5.985 128.875 122.820 0.117 0.000 3.077 466 A HA 0.333 4.652 4.320 -0.000 0.000 0.255 466 A C 1.251 178.844 177.584 0.014 0.000 1.728 466 A CA -0.274 51.802 52.037 0.065 0.000 1.383 466 A CB -1.002 18.058 19.000 0.102 0.000 1.097 466 A HN 0.943 nan 8.150 nan 0.000 0.634 467 L N -0.208 120.998 121.223 -0.027 0.000 2.042 467 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 467 L C 2.512 179.358 176.870 -0.041 0.000 1.076 467 L CA 1.701 56.505 54.840 -0.061 0.000 0.749 467 L CB -0.393 41.570 42.059 -0.160 0.000 0.893 467 L HN 0.539 nan 8.230 nan 0.000 0.432 468 K N -0.653 119.724 120.400 -0.038 0.000 2.057 468 K HA -0.136 4.184 4.320 -0.000 0.000 0.207 468 K C 2.099 178.683 176.600 -0.026 0.000 1.049 468 K CA 1.850 58.120 56.287 -0.029 0.000 0.931 468 K CB -0.300 32.184 32.500 -0.027 0.000 0.714 468 K HN 0.290 nan 8.250 nan 0.000 0.440 469 T N 0.512 115.047 114.554 -0.032 0.000 2.777 469 T HA -0.125 4.225 4.350 -0.000 0.000 0.266 469 T C 2.134 176.812 174.700 -0.035 0.000 1.040 469 T CA 1.896 63.968 62.100 -0.047 0.000 1.141 469 T CB -0.380 68.445 68.868 -0.073 0.000 0.868 469 T HN 0.496 nan 8.240 nan 0.000 0.444 470 T N 0.668 115.215 114.554 -0.011 0.000 2.857 470 T HA -0.076 4.274 4.350 -0.000 0.000 0.266 470 T C 1.965 176.681 174.700 0.026 0.000 1.048 470 T CA 0.610 62.723 62.100 0.022 0.000 1.139 470 T CB -0.293 68.603 68.868 0.047 0.000 0.874 470 T HN 0.108 nan 8.240 nan 0.000 0.455 471 Q N 1.550 121.355 119.800 0.010 0.000 2.135 471 Q HA -0.033 4.306 4.340 -0.000 0.000 0.204 471 Q C 2.196 178.207 176.000 0.018 0.000 0.981 471 Q CA 1.385 57.195 55.803 0.012 0.000 0.856 471 Q CB -0.315 28.423 28.738 0.000 0.000 0.902 471 Q HN 0.645 nan 8.270 nan 0.000 0.425 472 K N 0.207 120.613 120.400 0.011 0.000 2.442 472 K HA -0.083 4.237 4.320 -0.000 0.000 0.198 472 K C 1.600 178.218 176.600 0.030 0.000 1.042 472 K CA 0.550 56.846 56.287 0.014 0.000 0.958 472 K CB 0.258 32.758 32.500 -0.000 0.000 0.766 472 K HN 0.105 nan 8.250 nan 0.000 0.474 473 Q N 0.239 120.064 119.800 0.042 0.000 2.282 473 Q HA 0.155 4.495 4.340 -0.000 0.000 0.206 473 Q C 0.260 176.310 176.000 0.083 0.000 0.878 473 Q CA 0.154 56.001 55.803 0.074 0.000 0.944 473 Q CB 0.358 29.154 28.738 0.098 0.000 1.100 473 Q HN 0.305 nan 8.270 nan 0.000 0.509 474 L N 0.986 122.243 121.223 0.057 0.000 2.513 474 L HA -0.016 4.324 4.340 -0.000 0.000 0.272 474 L C 0.781 177.671 176.870 0.034 0.000 1.187 474 L CA 0.241 55.105 54.840 0.041 0.000 0.895 474 L CB 0.195 42.272 42.059 0.029 0.000 1.147 474 L HN 0.166 nan 8.230 nan 0.000 0.483 475 S N 0.040 115.744 115.700 0.007 0.000 2.488 475 S HA -0.148 4.322 4.470 -0.000 0.000 0.258 475 S C 0.331 174.909 174.600 -0.036 0.000 1.281 475 S CA 0.969 59.156 58.200 -0.022 0.000 1.334 475 S CB -0.740 62.475 63.200 0.024 0.000 1.647 475 S HN 0.656 nan 8.310 nan 0.000 0.635 476 K N 0.498 120.921 120.400 0.038 0.000 2.090 476 K HA 0.718 5.038 4.320 -0.000 0.000 0.250 476 K C -0.122 176.542 176.600 0.105 0.000 1.004 476 K CA -0.083 56.293 56.287 0.149 0.000 0.919 476 K CB 0.238 32.844 32.500 0.176 0.000 1.045 476 K HN 0.103 nan 8.250 nan 0.000 0.471 477 F N 0.153 120.243 119.950 0.234 0.000 2.399 477 F HA 0.249 4.776 4.527 -0.000 0.000 0.328 477 F C 0.282 176.321 175.800 0.399 0.000 1.084 477 F CA -0.644 57.542 58.000 0.311 0.000 1.053 477 F CB 0.778 39.903 39.000 0.208 0.000 1.209 477 F HN 0.353 nan 8.300 nan 0.000 0.502 478 W N 5.771 127.325 121.300 0.424 0.000 2.666 478 W HA 0.116 4.776 4.660 -0.000 0.000 0.365 478 W C -0.836 175.894 176.519 0.352 0.000 1.224 478 W CA 0.017 57.599 57.345 0.395 0.000 1.515 478 W CB -0.184 29.455 29.460 0.298 0.000 1.562 478 W HN 0.742 nan 8.180 nan 0.000 0.455 479 N N 0.797 119.682 118.700 0.309 0.000 2.972 479 N HA 0.091 4.831 4.740 -0.000 0.000 0.262 479 N C 0.395 176.002 175.510 0.162 0.000 1.478 479 N CA -0.607 52.609 53.050 0.275 0.000 0.841 479 N CB 0.450 39.057 38.487 0.201 0.000 1.512 479 N HN 0.022 nan 8.380 nan 0.000 0.548 480 E N 0.021 120.302 120.200 0.135 0.000 2.130 480 E HA -0.202 4.148 4.350 -0.000 0.000 0.196 480 E C 1.222 177.781 176.600 -0.069 0.000 0.998 480 E CA 1.566 57.967 56.400 0.001 0.000 0.806 480 E CB -0.003 29.726 29.700 0.048 0.000 0.738 480 E HN 0.479 nan 8.360 nan 0.000 0.459 481 K N 0.240 120.633 120.400 -0.012 0.000 2.057 481 K HA -0.099 4.221 4.320 -0.000 0.000 0.207 481 K C 2.292 178.866 176.600 -0.044 0.000 1.049 481 K CA 1.100 57.377 56.287 -0.018 0.000 0.931 481 K CB -0.660 31.852 32.500 0.021 0.000 0.714 481 K HN 0.369 nan 8.250 nan 0.000 0.440 482 L N 0.816 122.013 121.223 -0.042 0.000 2.083 482 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 482 L C 2.302 179.080 176.870 -0.153 0.000 1.083 482 L CA 0.975 55.772 54.840 -0.071 0.000 0.752 482 L CB -0.301 41.727 42.059 -0.053 0.000 0.899 482 L HN 0.104 nan 8.230 nan 0.000 0.433 483 L N -0.076 120.966 121.223 -0.301 0.000 2.017 483 L HA -0.265 4.075 4.340 -0.000 0.000 0.208 483 L C 2.494 179.298 176.870 -0.110 0.000 1.073 483 L CA 1.922 56.580 54.840 -0.304 0.000 0.745 483 L CB -0.715 40.898 42.059 -0.744 0.000 0.894 483 L HN 0.387 nan 8.230 nan 0.000 0.432 484 Q N -0.737 118.988 119.800 -0.126 0.000 2.050 484 Q HA -0.209 4.131 4.340 -0.000 0.000 0.202 484 Q C 1.886 177.836 176.000 -0.083 0.000 0.980 484 Q CA 1.722 57.470 55.803 -0.092 0.000 0.840 484 Q CB -0.296 28.391 28.738 -0.085 0.000 0.898 484 Q HN 0.549 nan 8.270 nan 0.000 0.424 485 D N 0.159 120.510 120.400 -0.083 0.000 2.117 485 D HA -0.116 4.524 4.640 -0.000 0.000 0.197 485 D C 2.013 178.243 176.300 -0.117 0.000 0.987 485 D CA 0.866 54.819 54.000 -0.078 0.000 0.829 485 D CB -0.166 40.601 40.800 -0.054 0.000 0.961 485 D HN 0.025 nan 8.370 nan 0.000 0.460 486 V N 0.461 120.267 119.914 -0.180 0.000 2.343 486 V HA -0.256 3.864 4.120 -0.000 0.000 0.247 486 V C 2.666 178.593 176.094 -0.277 0.000 1.051 486 V CA 1.238 63.337 62.300 -0.335 0.000 1.036 486 V CB -0.444 30.919 31.823 -0.767 0.000 0.654 486 V HN 0.297 nan 8.190 nan 0.000 0.451 487 C N 0.177 119.381 119.300 -0.159 0.000 2.429 487 C HA -0.108 4.352 4.460 -0.000 0.000 0.277 487 C C 3.080 178.029 174.990 -0.069 0.000 1.262 487 C CA 0.824 59.809 59.018 -0.055 0.000 1.733 487 C CB -1.340 26.430 27.740 0.050 0.000 2.010 487 C HN 0.639 nan 8.230 nan 0.000 0.483 488 A N 0.684 123.457 122.820 -0.077 0.000 1.902 488 A HA 0.070 4.390 4.320 -0.000 0.000 0.217 488 A C 2.406 179.946 177.584 -0.074 0.000 1.181 488 A CA 2.076 54.072 52.037 -0.068 0.000 0.623 488 A CB -1.205 17.758 19.000 -0.062 0.000 0.818 488 A HN 0.544 nan 8.150 nan 0.000 0.443 489 G N -0.240 108.505 108.800 -0.090 0.000 2.402 489 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.216 489 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.216 489 G C 1.559 176.402 174.900 -0.094 0.000 1.162 489 G CA 0.969 46.017 45.100 -0.087 0.000 0.777 489 G HN 0.419 nan 8.290 nan 0.000 0.539 490 L N 0.701 121.853 121.223 -0.119 0.000 2.046 490 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 490 L C 3.401 180.196 176.870 -0.124 0.000 1.077 490 L CA 1.032 55.794 54.840 -0.130 0.000 0.747 490 L CB -0.398 41.578 42.059 -0.139 0.000 0.896 490 L HN 0.310 nan 8.230 nan 0.000 0.432 491 A N -0.502 122.260 122.820 -0.097 0.000 1.972 491 A HA -0.248 4.072 4.320 -0.000 0.000 0.219 491 A C 2.279 179.819 177.584 -0.073 0.000 1.169 491 A CA 1.964 53.952 52.037 -0.082 0.000 0.635 491 A CB -0.368 18.596 19.000 -0.060 0.000 0.810 491 A HN 0.521 nan 8.150 nan 0.000 0.446 492 E N -0.688 119.471 120.200 -0.067 0.000 2.075 492 E HA -0.124 4.226 4.350 -0.000 0.000 0.190 492 E C 2.005 178.571 176.600 -0.055 0.000 0.969 492 E CA 0.791 57.159 56.400 -0.054 0.000 0.815 492 E CB -0.167 29.506 29.700 -0.045 0.000 0.776 492 E HN 0.697 nan 8.360 nan 0.000 0.457 493 E N 0.247 120.410 120.200 -0.062 0.000 2.204 493 E HA -0.103 4.247 4.350 -0.000 0.000 0.194 493 E C 1.329 177.888 176.600 -0.067 0.000 0.989 493 E CA 0.649 57.016 56.400 -0.056 0.000 0.824 493 E CB 0.176 29.845 29.700 -0.052 0.000 0.756 493 E HN 0.295 nan 8.360 nan 0.000 0.477 494 L N 1.709 122.871 121.223 -0.101 0.000 2.872 494 L HA 0.219 4.559 4.340 -0.000 0.000 0.245 494 L C 0.418 177.220 176.870 -0.112 0.000 1.211 494 L CA -0.527 54.236 54.840 -0.128 0.000 1.013 494 L CB 0.367 42.287 42.059 -0.231 0.000 1.326 494 L HN 0.024 nan 8.230 nan 0.000 0.525 495 S N 0.905 116.556 115.700 -0.081 0.000 2.563 495 S HA 0.341 4.811 4.470 -0.000 0.000 0.284 495 S C -0.239 174.326 174.600 -0.059 0.000 1.331 495 S CA -0.177 57.984 58.200 -0.066 0.000 1.047 495 S CB 0.895 64.066 63.200 -0.048 0.000 0.859 495 S HN 0.225 nan 8.310 nan 0.000 0.514 496 L N 2.075 123.266 121.223 -0.054 0.000 2.346 496 L HA 0.458 4.798 4.340 -0.000 0.000 0.274 496 L C 0.239 177.090 176.870 -0.032 0.000 1.007 496 L CA -0.783 54.030 54.840 -0.045 0.000 0.818 496 L CB 2.128 44.157 42.059 -0.050 0.000 1.284 496 L HN 0.680 nan 8.230 nan 0.000 0.424 497 S N 2.060 117.744 115.700 -0.027 0.000 2.584 497 S HA 0.204 4.674 4.470 -0.000 0.000 0.273 497 S C -1.742 172.848 174.600 -0.017 0.000 1.311 497 S CA -0.976 57.213 58.200 -0.020 0.000 1.034 497 S CB 1.417 64.606 63.200 -0.018 0.000 0.939 497 S HN 0.451 nan 8.310 nan 0.000 0.513 498 P HA -0.145 nan 4.420 nan 0.000 0.220 498 P C 0.747 178.043 177.300 -0.005 0.000 1.144 498 P CA 1.030 64.127 63.100 -0.006 0.000 0.800 498 P CB 0.018 31.717 31.700 -0.002 0.000 0.772 499 D N -1.755 118.640 120.400 -0.008 0.000 2.349 499 D HA 0.090 4.730 4.640 -0.000 0.000 0.214 499 D C 0.437 176.726 176.300 -0.018 0.000 1.063 499 D CA -0.220 53.775 54.000 -0.008 0.000 0.847 499 D CB -0.405 40.392 40.800 -0.006 0.000 0.933 499 D HN -0.030 nan 8.370 nan 0.000 0.513 500 A N 2.043 124.848 122.820 -0.024 0.000 2.584 500 A HA 0.203 4.523 4.320 -0.000 0.000 0.239 500 A C -2.136 175.421 177.584 -0.044 0.000 1.043 500 A CA -0.550 51.466 52.037 -0.034 0.000 0.756 500 A CB -0.438 18.541 19.000 -0.036 0.000 0.963 500 A HN 0.068 nan 8.150 nan 0.000 0.511 501 P HA 0.287 nan 4.420 nan 0.000 0.266 501 P C 1.183 178.430 177.300 -0.089 0.000 1.195 501 P CA 1.654 64.707 63.100 -0.077 0.000 0.768 501 P CB 0.694 32.343 31.700 -0.085 0.000 0.838 502 G N 1.457 110.180 108.800 -0.128 0.000 2.284 502 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.230 502 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.230 502 G C 0.695 175.521 174.900 -0.124 0.000 1.021 502 G CA 0.142 45.159 45.100 -0.139 0.000 0.619 502 G HN 1.011 nan 8.290 nan 0.000 0.510 503 G N 0.243 108.996 108.800 -0.080 0.000 2.552 503 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.265 503 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.265 503 G C 0.783 175.675 174.900 -0.013 0.000 1.234 503 G CA 0.928 46.000 45.100 -0.046 0.000 0.944 503 G HN 1.833 nan 8.290 nan 0.000 0.568 504 M N -1.415 118.199 119.600 0.023 0.000 2.169 504 M HA -0.222 4.258 4.480 -0.000 0.000 0.196 504 M C 1.373 177.725 176.300 0.086 0.000 0.355 504 M CA 0.763 56.124 55.300 0.100 0.000 0.396 504 M CB -1.542 31.169 32.600 0.186 0.000 1.125 504 M HN 0.508 nan 8.290 nan 0.000 0.939 505 I N 0.546 121.141 120.570 0.041 0.000 2.179 505 I HA -0.229 3.941 4.170 -0.000 0.000 0.242 505 I C 2.161 178.289 176.117 0.018 0.000 1.088 505 I CA 2.301 63.608 61.300 0.011 0.000 1.357 505 I CB -0.244 37.756 38.000 -0.000 0.000 1.051 505 I HN 0.386 nan 8.210 nan 0.000 0.409 506 E N -0.222 120.009 120.200 0.051 0.000 2.072 506 E HA -0.227 4.123 4.350 -0.000 0.000 0.191 506 E C 2.043 178.703 176.600 0.100 0.000 0.985 506 E CA 1.136 57.569 56.400 0.056 0.000 0.801 506 E CB -0.683 29.054 29.700 0.062 0.000 0.750 506 E HN 0.392 nan 8.360 nan 0.000 0.452 507 F N 1.923 121.847 119.950 -0.044 0.000 2.102 507 F HA -0.108 4.419 4.527 -0.000 0.000 0.298 507 F C 1.952 177.695 175.800 -0.096 0.000 1.105 507 F CA 1.539 59.503 58.000 -0.059 0.000 1.239 507 F CB -0.144 38.834 39.000 -0.038 0.000 0.991 507 F HN -0.167 nan 8.300 nan 0.000 0.474 508 R N -0.043 120.339 120.500 -0.197 0.000 2.096 508 R HA -0.111 4.229 4.340 -0.000 0.000 0.235 508 R C 2.350 178.478 176.300 -0.287 0.000 1.127 508 R CA 1.552 57.448 56.100 -0.341 0.000 0.968 508 R CB -0.311 29.875 30.300 -0.189 0.000 0.861 508 R HN 0.321 nan 8.270 nan 0.000 0.440 509 R N -0.410 119.984 120.500 -0.177 0.000 2.075 509 R HA -0.051 4.289 4.340 -0.000 0.000 0.232 509 R C 2.240 178.436 176.300 -0.172 0.000 1.126 509 R CA 1.702 57.706 56.100 -0.162 0.000 0.963 509 R CB -0.452 29.791 30.300 -0.095 0.000 0.858 509 R HN 0.143 nan 8.270 nan 0.000 0.435 510 T N 1.722 116.191 114.554 -0.142 0.000 2.788 510 T HA -0.064 4.286 4.350 -0.000 0.000 0.268 510 T C 1.858 176.384 174.700 -0.290 0.000 1.044 510 T CA 0.968 62.992 62.100 -0.127 0.000 1.139 510 T CB -0.091 68.766 68.868 -0.019 0.000 0.867 510 T HN 0.127 nan 8.240 nan 0.000 0.454 511 L N 1.235 122.173 121.223 -0.475 0.000 2.093 511 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 511 L C 3.105 179.563 176.870 -0.687 0.000 1.085 511 L CA 1.618 55.969 54.840 -0.815 0.000 0.755 511 L CB -1.106 40.316 42.059 -1.061 0.000 0.904 511 L HN 0.466 nan 8.230 nan 0.000 0.435 512 T N -1.952 112.380 114.554 -0.371 0.000 2.788 512 T HA -0.167 4.183 4.350 -0.000 0.000 0.268 512 T C 1.817 176.522 174.700 0.008 0.000 1.044 512 T CA 0.997 63.004 62.100 -0.155 0.000 1.139 512 T CB -0.395 68.199 68.868 -0.456 0.000 0.867 512 T HN 0.217 nan 8.240 nan 0.000 0.454 513 L N 0.702 121.867 121.223 -0.097 0.000 2.095 513 L HA 0.023 4.363 4.340 -0.000 0.000 0.204 513 L C 3.187 179.965 176.870 -0.153 0.000 1.080 513 L CA 1.197 56.032 54.840 -0.008 0.000 0.759 513 L CB -0.861 41.222 42.059 0.039 0.000 0.914 513 L HN 0.310 nan 8.230 nan 0.000 0.439 514 S N -0.002 115.453 115.700 -0.409 0.000 2.370 514 S HA -0.134 4.336 4.470 -0.000 0.000 0.226 514 S C 1.887 176.329 174.600 -0.263 0.000 1.033 514 S CA 1.403 59.259 58.200 -0.574 0.000 1.011 514 S CB -0.368 62.505 63.200 -0.545 0.000 0.852 514 S HN 0.285 nan 8.310 nan 0.000 0.457 515 F N 0.036 119.839 119.950 -0.246 0.000 2.146 515 F HA -0.104 4.423 4.527 -0.000 0.000 0.298 515 F C 2.163 177.866 175.800 -0.161 0.000 1.096 515 F CA 0.735 58.510 58.000 -0.376 0.000 1.275 515 F CB -0.262 38.685 39.000 -0.089 0.000 1.008 515 F HN 0.206 nan 8.300 nan 0.000 0.480 516 F N 0.267 120.338 119.950 0.202 0.000 2.186 516 F HA -0.235 4.292 4.527 -0.000 0.000 0.299 516 F C 2.102 178.087 175.800 0.309 0.000 1.090 516 F CA 0.986 59.169 58.000 0.305 0.000 1.307 516 F CB -0.738 38.429 39.000 0.278 0.000 1.019 516 F HN -0.052 nan 8.300 nan 0.000 0.489 517 F N 1.583 121.459 119.950 -0.125 0.000 2.126 517 F HA -0.161 4.366 4.527 -0.000 0.000 0.299 517 F C 2.252 177.936 175.800 -0.194 0.000 1.096 517 F CA 1.870 59.736 58.000 -0.224 0.000 1.255 517 F CB -0.720 37.958 39.000 -0.537 0.000 0.997 517 F HN -0.131 nan 8.300 nan 0.000 0.479 518 K N -0.886 119.312 120.400 -0.336 0.000 2.097 518 K HA -0.212 4.108 4.320 -0.000 0.000 0.206 518 K C 2.142 178.703 176.600 -0.065 0.000 1.049 518 K CA 1.666 57.734 56.287 -0.366 0.000 0.933 518 K CB -0.722 31.456 32.500 -0.538 0.000 0.717 518 K HN 0.322 nan 8.250 nan 0.000 0.442 519 F N 0.974 120.868 119.950 -0.094 0.000 2.102 519 F HA -0.245 4.282 4.527 -0.000 0.000 0.298 519 F C 2.227 178.030 175.800 0.004 0.000 1.105 519 F CA 1.149 59.185 58.000 0.060 0.000 1.239 519 F CB -0.746 38.306 39.000 0.085 0.000 0.991 519 F HN 0.032 nan 8.300 nan 0.000 0.474 520 Y N 0.778 120.853 120.300 -0.375 0.000 2.128 520 Y HA -0.254 4.296 4.550 -0.000 0.000 0.284 520 Y C 2.117 177.979 175.900 -0.063 0.000 1.154 520 Y CA 2.260 60.216 58.100 -0.239 0.000 1.149 520 Y CB -0.720 37.462 38.460 -0.464 0.000 0.976 520 Y HN 0.128 nan 8.280 nan 0.000 0.505 521 L N -1.100 119.939 121.223 -0.307 0.000 2.056 521 L HA -0.212 4.128 4.340 -0.000 0.000 0.207 521 L C 2.329 179.040 176.870 -0.266 0.000 1.078 521 L CA 1.752 56.390 54.840 -0.337 0.000 0.749 521 L CB -0.955 40.884 42.059 -0.367 0.000 0.901 521 L HN 0.193 nan 8.230 nan 0.000 0.433 522 T N -0.535 113.895 114.554 -0.207 0.000 2.788 522 T HA -0.139 4.211 4.350 -0.000 0.000 0.268 522 T C 1.992 176.501 174.700 -0.319 0.000 1.044 522 T CA 1.203 63.204 62.100 -0.164 0.000 1.139 522 T CB -0.145 68.719 68.868 -0.008 0.000 0.867 522 T HN 0.061 nan 8.240 nan 0.000 0.454 523 V N 1.314 120.948 119.914 -0.468 0.000 2.427 523 V HA -0.053 4.067 4.120 -0.000 0.000 0.248 523 V C 2.442 178.124 176.094 -0.688 0.000 1.051 523 V CA 1.188 63.043 62.300 -0.742 0.000 1.048 523 V CB -0.602 30.588 31.823 -1.056 0.000 0.666 523 V HN 0.439 nan 8.190 nan 0.000 0.456 524 L N -0.128 120.822 121.223 -0.456 0.000 2.046 524 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 524 L C 2.605 179.281 176.870 -0.323 0.000 1.077 524 L CA 1.964 56.593 54.840 -0.351 0.000 0.747 524 L CB -0.534 41.345 42.059 -0.300 0.000 0.896 524 L HN 0.325 nan 8.230 nan 0.000 0.432 525 K N 0.557 120.783 120.400 -0.290 0.000 2.057 525 K HA -0.201 4.119 4.320 -0.000 0.000 0.207 525 K C 2.078 178.515 176.600 -0.272 0.000 1.049 525 K CA 1.437 57.593 56.287 -0.219 0.000 0.931 525 K CB 0.089 32.495 32.500 -0.156 0.000 0.714 525 K HN 0.200 nan 8.250 nan 0.000 0.440 526 K N 0.344 120.490 120.400 -0.423 0.000 2.217 526 K HA -0.050 4.270 4.320 -0.000 0.000 0.202 526 K C 1.839 178.089 176.600 -0.582 0.000 1.051 526 K CA 0.810 56.776 56.287 -0.536 0.000 0.952 526 K CB 0.044 31.999 32.500 -0.908 0.000 0.736 526 K HN 0.187 nan 8.250 nan 0.000 0.453 527 L N 0.067 120.913 121.223 -0.629 0.000 2.610 527 L HA 0.015 4.355 4.340 -0.000 0.000 0.232 527 L C 1.500 178.216 176.870 -0.258 0.000 1.149 527 L CA 0.131 54.691 54.840 -0.466 0.000 0.872 527 L CB 0.108 41.831 42.059 -0.560 0.000 0.992 527 L HN 0.173 nan 8.230 nan 0.000 0.447 528 G N -1.035 107.633 108.800 -0.220 0.000 3.814 528 G HA2 0.143 4.103 3.960 -0.000 0.000 0.293 528 G HA3 0.143 4.103 3.960 -0.000 0.000 0.293 528 G C 0.648 175.492 174.900 -0.093 0.000 1.243 528 G CA -0.291 44.728 45.100 -0.136 0.000 1.053 528 G HN 0.014 nan 8.290 nan 0.000 0.562 529 K N -0.325 120.026 120.400 -0.081 0.000 10.479 529 K HA -0.251 4.069 4.320 -0.000 0.000 0.489 529 K C 0.569 177.148 176.600 -0.036 0.000 0.452 529 K CA 1.942 58.204 56.287 -0.042 0.000 1.755 529 K CB -1.614 30.866 32.500 -0.033 0.000 0.798 529 K HN 0.521 nan 8.250 nan 0.000 1.199 538 L N 1.897 123.107 121.223 -0.021 0.000 3.288 538 L HA 0.356 4.696 4.340 -0.000 0.000 0.293 538 L C -1.188 175.664 176.870 -0.029 0.000 1.294 538 L CA -0.216 54.608 54.840 -0.028 0.000 1.006 538 L CB 0.555 42.589 42.059 -0.041 0.000 1.407 538 L HN 0.304 nan 8.230 nan 0.000 0.592 539 D N -2.669 117.723 120.400 -0.014 0.000 3.279 539 D HA 0.094 4.734 4.640 -0.000 0.000 0.170 539 D C -2.777 173.548 176.300 0.040 0.000 1.215 539 D CA -0.715 53.275 54.000 -0.016 0.000 1.618 539 D CB -0.105 40.668 40.800 -0.045 0.000 1.028 539 D HN -0.133 nan 8.370 nan 0.000 0.783 540 P HA 0.200 nan 4.420 nan 0.000 0.273 540 P C 0.789 178.178 177.300 0.148 0.000 1.258 540 P CA 0.198 63.341 63.100 0.071 0.000 0.802 540 P CB 0.476 32.197 31.700 0.035 0.000 1.040 541 T N -3.105 111.525 114.554 0.128 0.000 10.222 541 T HA -0.267 4.083 4.350 -0.000 0.000 0.382 541 T C 0.879 175.769 174.700 0.316 0.000 1.698 541 T CA 1.928 64.125 62.100 0.163 0.000 2.662 541 T CB -1.823 67.160 68.868 0.190 0.000 2.712 541 T HN 0.404 nan 8.240 nan 0.000 1.066 542 Y N 0.553 120.941 120.300 0.147 0.000 2.498 542 Y HA 0.143 4.693 4.550 -0.000 0.000 0.259 542 Y C 2.570 178.570 175.900 0.167 0.000 1.086 542 Y CA 0.879 59.147 58.100 0.281 0.000 1.287 542 Y CB -0.311 38.319 38.460 0.284 0.000 1.146 542 Y HN 0.542 nan 8.280 nan 0.000 0.523 543 T N -1.835 112.860 114.554 0.235 0.000 2.653 543 T HA -0.281 4.069 4.350 -0.000 0.000 0.268 543 T C 2.115 176.879 174.700 0.107 0.000 1.035 543 T CA 1.854 64.031 62.100 0.128 0.000 1.154 543 T CB -0.996 67.922 68.868 0.084 0.000 0.862 543 T HN 0.361 nan 8.240 nan 0.000 0.441 544 S N 2.087 117.854 115.700 0.112 0.000 2.500 544 S HA 0.203 4.673 4.470 -0.000 0.000 0.239 544 S C 2.204 176.879 174.600 0.125 0.000 0.989 544 S CA 0.623 58.889 58.200 0.110 0.000 0.951 544 S CB -0.735 62.527 63.200 0.102 0.000 0.759 544 S HN 0.809 nan 8.310 nan 0.000 0.523 545 A N 1.589 124.485 122.820 0.127 0.000 2.167 545 A HA 0.122 4.442 4.320 -0.000 0.000 0.214 545 A C 2.255 179.845 177.584 0.010 0.000 1.151 545 A CA 1.250 53.326 52.037 0.065 0.000 0.735 545 A CB -0.819 18.162 19.000 -0.031 0.000 0.802 545 A HN 0.754 nan 8.150 nan 0.000 0.467 546 T N -2.927 111.652 114.554 0.042 0.000 3.023 546 T HA 0.418 4.768 4.350 -0.000 0.000 0.253 546 T C 0.410 175.173 174.700 0.104 0.000 1.038 546 T CA -0.305 61.829 62.100 0.055 0.000 0.962 546 T CB -0.380 68.496 68.868 0.013 0.000 1.018 546 T HN 0.171 nan 8.240 nan 0.000 0.521 547 L N 2.283 123.570 121.223 0.107 0.000 2.380 547 L HA 0.400 4.740 4.340 -0.000 0.000 0.273 547 L C -0.144 176.819 176.870 0.155 0.000 1.138 547 L CA -1.013 53.897 54.840 0.116 0.000 0.832 547 L CB 0.473 42.592 42.059 0.099 0.000 1.124 547 L HN 0.086 nan 8.230 nan 0.000 0.454 548 L N 2.744 124.067 121.223 0.167 0.000 2.439 548 L HA 0.230 4.570 4.340 -0.000 0.000 0.261 548 L C 0.044 177.071 176.870 0.261 0.000 1.153 548 L CA 0.067 55.043 54.840 0.227 0.000 0.808 548 L CB 0.082 42.267 42.059 0.210 0.000 1.126 548 L HN 0.267 nan 8.230 nan 0.000 0.460 549 F N 1.803 121.871 119.950 0.197 0.000 2.579 549 F HA 0.029 4.556 4.527 -0.000 0.000 0.397 549 F C 0.310 176.241 175.800 0.219 0.000 1.027 549 F CA 0.327 58.452 58.000 0.208 0.000 1.217 549 F CB 0.076 39.248 39.000 0.288 0.000 0.986 549 F HN 0.453 nan 8.300 nan 0.000 0.551 550 Q N 5.220 124.781 119.800 -0.398 0.000 2.333 550 Q HA 0.341 4.681 4.340 -0.000 0.000 0.267 550 Q C -0.984 174.800 176.000 -0.360 0.000 1.012 550 Q CA -0.830 54.874 55.803 -0.165 0.000 0.824 550 Q CB 1.458 30.156 28.738 -0.066 0.000 1.290 550 Q HN 0.396 nan 8.270 nan 0.000 0.449 551 K N 2.064 122.523 120.400 0.098 0.000 2.227 551 K HA 0.229 4.549 4.320 -0.000 0.000 0.280 551 K C -1.098 175.615 176.600 0.188 0.000 1.041 551 K CA -0.503 55.929 56.287 0.242 0.000 0.905 551 K CB 0.604 33.364 32.500 0.434 0.000 1.068 551 K HN 0.671 nan 8.250 nan 0.000 0.470 552 H N 3.771 122.875 119.070 0.058 0.000 2.481 552 H HA 0.330 4.886 4.556 -0.000 0.000 0.339 552 H C -1.992 173.390 175.328 0.090 0.000 1.131 552 H CA -1.537 54.541 56.048 0.050 0.000 1.301 552 H CB 0.895 30.667 29.762 0.016 0.000 1.476 552 H HN 0.391 nan 8.280 nan 0.000 0.529 553 P HA 0.086 nan 4.420 nan 0.000 0.268 553 P C -2.662 174.639 177.300 0.003 0.000 1.204 553 P CA -1.200 61.843 63.100 -0.094 0.000 0.768 553 P CB 0.295 31.896 31.700 -0.165 0.000 0.842 554 P HA 0.245 nan 4.420 nan 0.000 0.271 554 P C -1.035 176.335 177.300 0.116 0.000 1.216 554 P CA -0.194 62.988 63.100 0.137 0.000 0.776 554 P CB 0.768 32.572 31.700 0.174 0.000 0.881 555 A N 3.168 126.069 122.820 0.134 0.000 2.446 555 A HA 0.514 4.834 4.320 -0.000 0.000 0.282 555 A C -0.924 176.738 177.584 0.131 0.000 1.102 555 A CA -0.651 51.454 52.037 0.112 0.000 0.737 555 A CB 0.658 19.715 19.000 0.097 0.000 1.212 555 A HN 0.540 nan 8.150 nan 0.000 0.434 556 N N 2.591 121.361 118.700 0.116 0.000 2.352 556 N HA 0.547 5.286 4.740 -0.000 0.000 0.291 556 N C -1.356 174.189 175.510 0.058 0.000 1.040 556 N CA -0.402 52.712 53.050 0.107 0.000 0.864 556 N CB 2.074 40.639 38.487 0.130 0.000 1.440 556 N HN 0.423 nan 8.380 nan 0.000 0.483 557 I N 1.847 122.436 120.570 0.031 0.000 2.498 557 I HA 0.297 4.467 4.170 -0.000 0.000 0.290 557 I C -0.498 175.616 176.117 -0.005 0.000 1.032 557 I CA -0.608 60.699 61.300 0.012 0.000 1.073 557 I CB 1.960 39.966 38.000 0.010 0.000 1.251 557 I HN 0.310 nan 8.210 nan 0.000 0.426 558 Q N 5.805 125.616 119.800 0.018 0.000 2.330 558 Q HA 0.694 5.034 4.340 -0.000 0.000 0.269 558 Q C -1.153 174.914 176.000 0.112 0.000 1.022 558 Q CA -0.230 55.602 55.803 0.049 0.000 0.796 558 Q CB 2.950 31.731 28.738 0.072 0.000 1.271 558 Q HN 0.465 nan 8.270 nan 0.000 0.450 559 L N 4.512 125.798 121.223 0.105 0.000 2.333 559 L HA 0.739 5.079 4.340 -0.000 0.000 0.280 559 L C -0.836 176.143 176.870 0.182 0.000 1.004 559 L CA -0.853 54.028 54.840 0.068 0.000 0.820 559 L CB 0.536 42.595 42.059 0.000 0.000 1.247 559 L HN 0.671 nan 8.230 nan 0.000 0.416 560 F N 0.247 120.174 119.950 -0.039 0.000 2.715 560 F HA 0.583 5.110 4.527 -0.000 0.000 0.318 560 F C -0.756 175.027 175.800 -0.029 0.000 1.141 560 F CA -1.127 56.852 58.000 -0.034 0.000 0.950 560 F CB 1.667 40.644 39.000 -0.039 0.000 1.374 560 F HN 0.354 nan 8.300 nan 0.000 0.477 561 Q N 1.367 121.223 119.800 0.093 0.000 2.241 561 Q HA 0.256 4.596 4.340 -0.000 0.000 0.254 561 Q C -0.643 175.355 176.000 -0.005 0.000 0.917 561 Q CA -0.674 55.114 55.803 -0.026 0.000 0.919 561 Q CB 1.299 30.053 28.738 0.026 0.000 1.237 561 Q HN 0.578 nan 8.270 nan 0.000 0.434 562 E N 1.462 121.604 120.200 -0.096 0.000 2.390 562 E HA 0.104 4.454 4.350 -0.000 0.000 0.261 562 E C -0.375 176.227 176.600 0.004 0.000 1.076 562 E CA -0.103 56.268 56.400 -0.049 0.000 0.905 562 E CB 1.211 30.858 29.700 -0.088 0.000 0.984 562 E HN 0.549 nan 8.360 nan 0.000 0.427 563 V N 0.288 120.216 119.914 0.022 0.000 3.003 563 V HA 0.314 4.434 4.120 -0.000 0.000 0.305 563 V C -2.185 173.907 176.094 -0.004 0.000 1.078 563 V CA -1.727 60.580 62.300 0.012 0.000 1.083 563 V CB -0.071 31.759 31.823 0.012 0.000 1.039 563 V HN 0.500 nan 8.190 nan 0.000 0.481 564 P HA 0.040 nan 4.420 nan 0.000 0.264 564 P C 0.908 178.202 177.300 -0.011 0.000 1.183 564 P CA 0.256 63.349 63.100 -0.011 0.000 0.763 564 P CB 0.218 31.910 31.700 -0.012 0.000 0.807 565 N N 2.582 121.275 118.700 -0.011 0.000 2.192 565 N HA -0.147 4.593 4.740 -0.000 0.000 0.188 565 N C 1.590 177.096 175.510 -0.007 0.000 1.013 565 N CA 1.937 54.981 53.050 -0.010 0.000 0.863 565 N CB -0.329 38.151 38.487 -0.011 0.000 0.990 565 N HN 0.570 nan 8.380 nan 0.000 0.430 566 G N -0.078 108.718 108.800 -0.006 0.000 2.880 566 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.209 566 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.209 566 G C 0.600 175.497 174.900 -0.005 0.000 1.157 566 G CA -0.310 44.788 45.100 -0.004 0.000 0.779 566 G HN 0.466 nan 8.290 nan 0.000 0.539 567 Q N 1.433 121.227 119.800 -0.010 0.000 2.286 567 Q HA 0.238 4.578 4.340 -0.000 0.000 0.290 567 Q C 0.502 176.495 176.000 -0.011 0.000 1.049 567 Q CA -0.262 55.531 55.803 -0.016 0.000 0.923 567 Q CB 0.388 29.112 28.738 -0.023 0.000 1.183 567 Q HN 0.166 nan 8.270 nan 0.000 0.383 568 S N 2.824 118.516 115.700 -0.013 0.000 2.568 568 S HA -0.039 4.431 4.470 -0.000 0.000 0.282 568 S C 0.988 175.582 174.600 -0.009 0.000 1.338 568 S CA -0.275 57.920 58.200 -0.008 0.000 1.045 568 S CB 0.856 64.051 63.200 -0.007 0.000 0.873 568 S HN 0.838 nan 8.310 nan 0.000 0.516 569 K N 2.972 123.370 120.400 -0.003 0.000 2.147 569 K HA -0.088 4.232 4.320 -0.000 0.000 0.205 569 K C 1.390 177.987 176.600 -0.005 0.000 1.049 569 K CA 1.663 57.950 56.287 0.000 0.000 0.936 569 K CB -0.224 32.278 32.500 0.005 0.000 0.722 569 K HN 0.799 nan 8.250 nan 0.000 0.446 570 E N 0.587 120.780 120.200 -0.011 0.000 2.347 570 E HA -0.110 4.240 4.350 -0.000 0.000 0.196 570 E C -0.015 176.567 176.600 -0.029 0.000 1.008 570 E CA 0.149 56.537 56.400 -0.020 0.000 0.852 570 E CB 0.060 29.744 29.700 -0.027 0.000 0.783 570 E HN 0.202 nan 8.360 nan 0.000 0.505 571 D N 0.942 121.322 120.400 -0.033 0.000 2.393 571 D HA -0.018 4.622 4.640 -0.000 0.000 0.232 571 D C 0.779 177.052 176.300 -0.045 0.000 1.192 571 D CA 0.060 54.028 54.000 -0.053 0.000 0.882 571 D CB 0.967 41.727 40.800 -0.067 0.000 1.038 571 D HN -0.021 nan 8.370 nan 0.000 0.499 572 T N 0.087 114.617 114.554 -0.039 0.000 3.129 572 T HA 0.071 4.421 4.350 -0.000 0.000 0.251 572 T C 0.917 175.597 174.700 -0.033 0.000 1.117 572 T CA -0.309 61.778 62.100 -0.021 0.000 1.034 572 T CB -0.120 68.745 68.868 -0.005 0.000 0.968 572 T HN 0.083 nan 8.240 nan 0.000 0.526 573 V N 2.332 122.204 119.914 -0.071 0.000 2.458 573 V HA 0.449 4.569 4.120 -0.000 0.000 0.287 573 V C 1.681 177.739 176.094 -0.061 0.000 1.009 573 V CA 1.161 63.409 62.300 -0.086 0.000 1.091 573 V CB -0.338 31.358 31.823 -0.212 0.000 0.960 573 V HN 0.851 nan 8.190 nan 0.000 0.476 574 G N 4.756 113.539 108.800 -0.029 0.000 2.195 574 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.224 574 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.224 574 G C 0.258 175.174 174.900 0.026 0.000 0.990 574 G CA -0.137 44.962 45.100 -0.001 0.000 0.639 574 G HN 0.602 nan 8.290 nan 0.000 0.514 575 R N 0.990 121.498 120.500 0.013 0.000 2.536 575 R HA 0.475 4.815 4.340 -0.000 0.000 0.279 575 R C -2.254 174.040 176.300 -0.010 0.000 1.001 575 R CA -1.671 54.452 56.100 0.037 0.000 1.027 575 R CB 1.407 31.732 30.300 0.041 0.000 1.096 575 R HN 0.033 nan 8.270 nan 0.000 0.502 576 P HA 0.005 nan 4.420 nan 0.000 0.225 576 P C -0.642 176.695 177.300 0.062 0.000 1.768 576 P CA -0.138 62.905 63.100 -0.096 0.000 0.943 576 P CB -0.095 31.523 31.700 -0.138 0.000 1.936 577 L N 3.737 124.992 121.223 0.054 0.000 2.418 577 L HA 0.297 4.637 4.340 -0.000 0.000 0.274 577 L C -2.127 174.854 176.870 0.184 0.000 1.135 577 L CA -1.946 52.961 54.840 0.112 0.000 0.870 577 L CB -0.200 41.894 42.059 0.058 0.000 1.154 577 L HN 0.037 nan 8.230 nan 0.000 0.462 578 P HA -0.041 nan 4.420 nan 0.000 0.269 578 P C -0.597 176.834 177.300 0.217 0.000 1.215 578 P CA -0.150 63.135 63.100 0.309 0.000 0.780 578 P CB 0.281 32.051 31.700 0.117 0.000 0.898 579 H N 2.497 121.646 119.070 0.131 0.000 3.167 579 H HA -0.043 4.513 4.556 -0.000 0.000 0.306 579 H C 1.218 176.587 175.328 0.069 0.000 0.965 579 H CA 0.584 56.680 56.048 0.081 0.000 1.408 579 H CB 0.305 30.110 29.762 0.072 0.000 1.406 579 H HN 0.334 nan 8.280 nan 0.000 0.576 580 L N 4.082 125.387 121.223 0.136 0.000 2.261 580 L HA -0.187 4.153 4.340 -0.000 0.000 0.216 580 L C 2.139 179.150 176.870 0.234 0.000 1.114 580 L CA 1.461 56.395 54.840 0.156 0.000 0.777 580 L CB -0.303 41.797 42.059 0.069 0.000 0.910 580 L HN 0.616 nan 8.230 nan 0.000 0.440 581 A N -1.004 122.068 122.820 0.420 0.000 2.390 581 A HA 0.450 4.770 4.320 -0.000 0.000 0.232 581 A C 2.266 179.908 177.584 0.096 0.000 1.233 581 A CA 0.585 52.755 52.037 0.221 0.000 0.907 581 A CB -0.086 19.035 19.000 0.202 0.000 0.967 581 A HN 0.250 nan 8.150 nan 0.000 0.512 582 A N 0.544 123.422 122.820 0.098 0.000 1.917 582 A HA 0.037 4.357 4.320 -0.000 0.000 0.219 582 A C 2.432 180.025 177.584 0.014 0.000 1.182 582 A CA 2.163 54.200 52.037 -0.001 0.000 0.633 582 A CB -0.904 18.111 19.000 0.026 0.000 0.819 582 A HN 1.108 nan 8.150 nan 0.000 0.448 583 A N -0.664 122.178 122.820 0.037 0.000 1.902 583 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 583 A C 2.255 179.859 177.584 0.034 0.000 1.181 583 A CA 1.878 53.933 52.037 0.030 0.000 0.623 583 A CB -0.535 18.486 19.000 0.036 0.000 0.818 583 A HN 0.550 nan 8.150 nan 0.000 0.443 584 M N -1.103 118.522 119.600 0.042 0.000 2.319 584 M HA -0.151 4.329 4.480 -0.000 0.000 0.265 584 M C 2.260 178.584 176.300 0.041 0.000 1.068 584 M CA 1.192 56.515 55.300 0.038 0.000 1.118 584 M CB -0.307 32.318 32.600 0.040 0.000 1.395 584 M HN 0.501 nan 8.290 nan 0.000 0.435 585 Q N 0.094 119.919 119.800 0.042 0.000 2.137 585 Q HA -0.008 4.332 4.340 -0.000 0.000 0.198 585 Q C 2.200 178.237 176.000 0.061 0.000 0.960 585 Q CA 1.352 57.200 55.803 0.074 0.000 0.847 585 Q CB -0.114 28.657 28.738 0.055 0.000 0.915 585 Q HN 0.558 nan 8.270 nan 0.000 0.448 586 A N 0.825 123.670 122.820 0.041 0.000 2.066 586 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 586 A C 2.064 179.671 177.584 0.039 0.000 1.157 586 A CA 1.391 53.456 52.037 0.047 0.000 0.670 586 A CB -0.184 18.843 19.000 0.046 0.000 0.804 586 A HN 0.368 nan 8.150 nan 0.000 0.453 587 S N -2.345 113.373 115.700 0.031 0.000 2.535 587 S HA 0.391 4.861 4.470 -0.000 0.000 0.214 587 S C 1.382 175.988 174.600 0.009 0.000 0.980 587 S CA 1.024 59.233 58.200 0.015 0.000 0.907 587 S CB -0.134 63.076 63.200 0.016 0.000 0.790 587 S HN 1.814 nan 8.310 nan 0.000 0.510 588 G N 1.325 110.140 108.800 0.025 0.000 2.148 588 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.254 588 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.254 588 G C 0.465 175.385 174.900 0.034 0.000 0.981 588 G CA 0.537 45.653 45.100 0.026 0.000 0.670 588 G HN 0.599 nan 8.290 nan 0.000 0.528 589 E N 0.000 120.218 120.200 0.029 0.000 2.318 589 E HA 0.396 4.746 4.350 -0.000 0.000 0.193 589 E C 1.761 178.369 176.600 0.013 0.000 0.998 589 E CA 0.317 56.728 56.400 0.017 0.000 0.859 589 E CB 0.187 29.893 29.700 0.011 0.000 0.812 589 E HN 0.777 nan 8.360 nan 0.000 0.492 590 A N 1.720 124.551 122.820 0.018 0.000 2.524 590 A HA 0.155 4.475 4.320 -0.000 0.000 0.250 590 A C 0.168 177.688 177.584 -0.107 0.000 1.078 590 A CA -0.068 51.931 52.037 -0.062 0.000 0.761 590 A CB 0.239 19.190 19.000 -0.082 0.000 1.012 590 A HN -0.003 nan 8.150 nan 0.000 0.500 591 V N 4.414 124.229 119.914 -0.165 0.000 2.406 591 V HA 0.295 4.415 4.120 -0.000 0.000 0.272 591 V C -0.437 175.516 176.094 -0.235 0.000 1.043 591 V CA -0.075 62.161 62.300 -0.107 0.000 0.915 591 V CB -0.061 31.725 31.823 -0.062 0.000 0.988 591 V HN 0.748 nan 8.190 nan 0.000 0.466 592 Y N 1.741 122.099 120.300 0.097 0.000 2.568 592 Y HA 0.334 4.884 4.550 -0.000 0.000 0.327 592 Y C 1.575 177.521 175.900 0.078 0.000 1.163 592 Y CA -0.316 57.856 58.100 0.120 0.000 1.219 592 Y CB 0.737 39.353 38.460 0.261 0.000 1.308 592 Y HN 0.655 nan 8.280 nan 0.000 0.503 593 C N 0.804 120.228 119.300 0.208 0.000 2.336 593 C HA -0.308 4.152 4.460 -0.000 0.000 0.272 593 C C 2.521 177.573 174.990 0.104 0.000 1.160 593 C CA 2.579 61.673 59.018 0.126 0.000 1.783 593 C CB -0.827 26.979 27.740 0.110 0.000 2.050 593 C HN 1.096 nan 8.230 nan 0.000 0.443 594 D N -0.409 120.078 120.400 0.145 0.000 2.350 594 D HA -0.073 4.567 4.640 -0.000 0.000 0.216 594 D C 1.515 177.882 176.300 0.111 0.000 0.968 594 D CA 0.950 55.028 54.000 0.129 0.000 0.894 594 D CB -0.337 40.558 40.800 0.159 0.000 0.909 594 D HN 0.558 nan 8.370 nan 0.000 0.520 595 D N -0.328 120.151 120.400 0.131 0.000 2.317 595 D HA -0.007 4.633 4.640 -0.000 0.000 0.211 595 D C 0.591 176.893 176.300 0.004 0.000 0.966 595 D CA 0.164 54.218 54.000 0.090 0.000 0.876 595 D CB 0.085 40.970 40.800 0.142 0.000 0.927 595 D HN 0.365 nan 8.370 nan 0.000 0.519 596 I N 2.499 123.043 120.570 -0.043 0.000 2.683 596 I HA 0.008 4.178 4.170 -0.000 0.000 0.286 596 I C -1.949 174.078 176.117 -0.150 0.000 1.175 596 I CA -1.475 59.733 61.300 -0.153 0.000 1.429 596 I CB 0.220 38.047 38.000 -0.288 0.000 1.371 596 I HN -0.301 nan 8.210 nan 0.000 0.569 597 P HA 0.019 nan 4.420 nan 0.000 0.267 597 P C -0.890 176.278 177.300 -0.219 0.000 1.200 597 P CA -0.186 62.812 63.100 -0.169 0.000 0.772 597 P CB 0.381 31.966 31.700 -0.191 0.000 0.855 598 R N 2.203 122.627 120.500 -0.128 0.000 2.459 598 R HA 0.361 4.701 4.340 -0.000 0.000 0.281 598 R C -0.567 175.660 176.300 -0.121 0.000 1.050 598 R CA -0.570 55.471 56.100 -0.099 0.000 1.055 598 R CB 0.216 30.526 30.300 0.017 0.000 1.045 598 R HN 0.333 nan 8.270 nan 0.000 0.495 599 Y N 1.114 121.381 120.300 -0.054 0.000 2.357 599 Y HA -0.074 4.476 4.550 -0.000 0.000 0.340 599 Y C 1.722 177.608 175.900 -0.024 0.000 1.260 599 Y CA 0.367 58.441 58.100 -0.043 0.000 1.425 599 Y CB 1.065 39.495 38.460 -0.049 0.000 1.326 599 Y HN 0.807 nan 8.280 nan 0.000 0.580 600 E N 0.133 120.432 120.200 0.165 0.000 2.160 600 E HA -0.268 4.082 4.350 -0.000 0.000 0.195 600 E C 0.628 177.284 176.600 0.093 0.000 0.991 600 E CA 1.720 58.177 56.400 0.096 0.000 0.810 600 E CB -0.285 29.456 29.700 0.067 0.000 0.742 600 E HN 0.674 nan 8.360 nan 0.000 0.466 601 N N 0.921 119.668 118.700 0.078 0.000 2.251 601 N HA 0.008 4.747 4.740 -0.000 0.000 0.217 601 N C -0.575 175.014 175.510 0.130 0.000 1.124 601 N CA -0.127 52.960 53.050 0.061 0.000 0.843 601 N CB 0.260 38.650 38.487 -0.161 0.000 1.024 601 N HN 0.253 nan 8.380 nan 0.000 0.501 602 E N 0.998 121.255 120.200 0.096 0.000 2.316 602 E HA 0.247 4.597 4.350 -0.000 0.000 0.275 602 E C -0.507 176.023 176.600 -0.116 0.000 1.029 602 E CA -0.345 56.056 56.400 0.002 0.000 0.871 602 E CB 0.705 30.382 29.700 -0.039 0.000 1.022 602 E HN 0.242 nan 8.360 nan 0.000 0.418 603 L N 3.515 124.641 121.223 -0.161 0.000 2.331 603 L HA 0.518 4.858 4.340 -0.000 0.000 0.268 603 L C -0.587 176.018 176.870 -0.442 0.000 1.015 603 L CA -1.019 53.725 54.840 -0.161 0.000 0.807 603 L CB 0.792 42.818 42.059 -0.055 0.000 1.293 603 L HN 0.513 nan 8.230 nan 0.000 0.451 604 F N 0.978 120.954 119.950 0.044 0.000 2.495 604 F HA 0.575 5.102 4.527 -0.000 0.000 0.327 604 F C -0.161 175.666 175.800 0.044 0.000 1.103 604 F CA -0.506 57.524 58.000 0.050 0.000 0.949 604 F CB 1.789 40.818 39.000 0.049 0.000 1.142 604 F HN 0.170 nan 8.300 nan 0.000 0.457 605 L N 3.412 124.754 121.223 0.198 0.000 2.334 605 L HA 0.782 5.122 4.340 -0.000 0.000 0.276 605 L C -0.976 175.994 176.870 0.168 0.000 1.014 605 L CA -0.832 54.096 54.840 0.147 0.000 0.815 605 L CB 1.457 43.580 42.059 0.107 0.000 1.268 605 L HN 0.688 nan 8.230 nan 0.000 0.428 606 R N 4.383 124.975 120.500 0.153 0.000 2.502 606 R HA 0.544 4.884 4.340 -0.000 0.000 0.300 606 R C -1.684 174.707 176.300 0.152 0.000 0.984 606 R CA -0.420 55.772 56.100 0.153 0.000 0.882 606 R CB 1.162 31.555 30.300 0.155 0.000 1.180 606 R HN 0.686 nan 8.270 nan 0.000 0.444 607 L N 3.757 125.071 121.223 0.152 0.000 2.426 607 L HA 0.341 4.681 4.340 -0.000 0.000 0.271 607 L C -0.246 176.720 176.870 0.160 0.000 1.169 607 L CA -0.639 54.297 54.840 0.160 0.000 0.836 607 L CB 1.154 43.314 42.059 0.169 0.000 1.112 607 L HN 0.324 nan 8.230 nan 0.000 0.465 608 V N 1.846 121.856 119.914 0.160 0.000 2.347 608 V HA 0.386 4.506 4.120 -0.000 0.000 0.280 608 V C 0.329 176.518 176.094 0.158 0.000 1.021 608 V CA -0.437 61.967 62.300 0.173 0.000 0.847 608 V CB 1.474 33.451 31.823 0.256 0.000 0.990 608 V HN 0.934 nan 8.190 nan 0.000 0.444 609 T N 1.193 115.843 114.554 0.159 0.000 2.942 609 T HA 0.562 4.912 4.350 -0.000 0.000 0.289 609 T C 0.067 174.879 174.700 0.187 0.000 1.044 609 T CA -0.652 61.552 62.100 0.172 0.000 1.023 609 T CB 1.791 70.762 68.868 0.171 0.000 1.123 609 T HN 0.543 nan 8.240 nan 0.000 0.512 610 S N 0.393 116.220 115.700 0.211 0.000 2.562 610 S HA 0.291 4.761 4.470 -0.000 0.000 0.281 610 S C 1.231 175.910 174.600 0.133 0.000 1.333 610 S CA 0.067 58.411 58.200 0.241 0.000 1.052 610 S CB -0.002 63.346 63.200 0.247 0.000 0.884 610 S HN 1.020 nan 8.310 nan 0.000 0.506 611 T N 2.402 116.979 114.554 0.038 0.000 3.134 611 T HA 0.399 4.749 4.350 -0.000 0.000 0.260 611 T C 0.211 174.793 174.700 -0.196 0.000 1.027 611 T CA -0.539 61.534 62.100 -0.045 0.000 0.913 611 T CB 0.008 68.875 68.868 -0.003 0.000 1.046 611 T HN 0.412 nan 8.240 nan 0.000 0.553 612 R N 0.326 120.642 120.500 -0.306 0.000 2.670 612 R HA 0.773 5.113 4.340 -0.000 0.000 0.289 612 R C 0.925 177.182 176.300 -0.072 0.000 0.965 612 R CA -0.356 55.572 56.100 -0.288 0.000 0.899 612 R CB 1.365 31.319 30.300 -0.577 0.000 1.173 612 R HN 0.138 nan 8.270 nan 0.000 0.456 613 A N 1.159 123.969 122.820 -0.016 0.000 1.968 613 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 613 A C 0.387 178.050 177.584 0.132 0.000 1.169 613 A CA 1.323 53.388 52.037 0.046 0.000 0.638 613 A CB -0.085 18.934 19.000 0.031 0.000 0.812 613 A HN 0.723 nan 8.150 nan 0.000 0.446 614 H N -2.214 116.854 119.070 -0.003 0.000 3.188 614 H HA 0.510 5.065 4.556 -0.000 0.000 0.325 614 H C -1.176 174.172 175.328 0.034 0.000 1.033 614 H CA -0.206 55.861 56.048 0.032 0.000 1.443 614 H CB 0.908 30.681 29.762 0.017 0.000 1.968 614 H HN 0.492 nan 8.280 nan 0.000 0.449 615 A N 4.209 127.096 122.820 0.112 0.000 2.586 615 A HA 0.377 4.697 4.320 -0.000 0.000 0.291 615 A C -1.528 176.127 177.584 0.118 0.000 1.062 615 A CA -1.010 51.050 52.037 0.039 0.000 0.666 615 A CB 1.614 20.674 19.000 0.101 0.000 1.281 615 A HN 0.559 nan 8.150 nan 0.000 0.421 616 K N 0.523 120.970 120.400 0.078 0.000 2.185 616 K HA 0.547 4.867 4.320 -0.000 0.000 0.271 616 K C -0.840 175.817 176.600 0.095 0.000 1.013 616 K CA -0.072 56.259 56.287 0.073 0.000 0.943 616 K CB 1.118 33.635 32.500 0.028 0.000 0.998 616 K HN 0.506 nan 8.250 nan 0.000 0.468 617 I N 4.139 124.735 120.570 0.043 0.000 2.291 617 I HA 0.021 4.191 4.170 -0.000 0.000 0.292 617 I C 1.242 177.320 176.117 -0.064 0.000 1.064 617 I CA -0.196 61.071 61.300 -0.056 0.000 1.269 617 I CB 0.716 38.680 38.000 -0.060 0.000 1.418 617 I HN 0.487 nan 8.210 nan 0.000 0.485 618 K N 3.616 123.962 120.400 -0.090 0.000 2.076 618 K HA 0.067 4.387 4.320 -0.000 0.000 0.204 618 K C 0.622 177.175 176.600 -0.078 0.000 1.051 618 K CA 0.702 56.951 56.287 -0.063 0.000 0.949 618 K CB 0.162 32.633 32.500 -0.048 0.000 0.726 618 K HN 0.744 nan 8.250 nan 0.000 0.443 619 S N -0.648 114.977 115.700 -0.125 0.000 2.587 619 S HA 0.560 5.029 4.470 -0.000 0.000 0.269 619 S C -0.965 173.538 174.600 -0.161 0.000 1.154 619 S CA -1.047 57.085 58.200 -0.114 0.000 0.824 619 S CB 1.415 64.560 63.200 -0.092 0.000 1.118 619 S HN 0.046 nan 8.310 nan 0.000 0.462 620 I N 1.630 122.115 120.570 -0.141 0.000 2.468 620 I HA 0.400 4.570 4.170 -0.000 0.000 0.285 620 I C -1.559 174.434 176.117 -0.206 0.000 1.039 620 I CA -0.334 60.850 61.300 -0.194 0.000 1.074 620 I CB 1.937 39.838 38.000 -0.166 0.000 1.228 620 I HN 0.705 nan 8.210 nan 0.000 0.436 621 D N 5.929 126.192 120.400 -0.229 0.000 2.349 621 D HA 0.297 4.937 4.640 -0.000 0.000 0.232 621 D C 0.458 176.591 176.300 -0.279 0.000 1.071 621 D CA -0.380 53.494 54.000 -0.209 0.000 0.832 621 D CB 1.998 42.703 40.800 -0.158 0.000 1.086 621 D HN 0.344 nan 8.370 nan 0.000 0.504 622 V N 1.778 121.519 119.914 -0.289 0.000 3.483 622 V HA 0.110 4.230 4.120 -0.000 0.000 0.301 622 V C 1.689 177.609 176.094 -0.291 0.000 1.389 622 V CA 0.710 62.806 62.300 -0.339 0.000 1.101 622 V CB -0.388 31.226 31.823 -0.349 0.000 0.971 622 V HN 0.476 nan 8.190 nan 0.000 0.434 623 S N 0.967 116.537 115.700 -0.216 0.000 2.374 623 S HA -0.247 4.223 4.470 -0.000 0.000 0.227 623 S C 1.751 176.224 174.600 -0.211 0.000 1.037 623 S CA 1.817 59.904 58.200 -0.189 0.000 1.024 623 S CB -0.526 62.596 63.200 -0.131 0.000 0.861 623 S HN 0.657 nan 8.310 nan 0.000 0.456 624 E N 1.929 122.013 120.200 -0.194 0.000 2.107 624 E HA 0.124 4.474 4.350 -0.000 0.000 0.191 624 E C 2.531 178.997 176.600 -0.223 0.000 0.982 624 E CA 1.086 57.385 56.400 -0.169 0.000 0.809 624 E CB -0.865 28.764 29.700 -0.119 0.000 0.756 624 E HN 0.666 nan 8.360 nan 0.000 0.459 625 A N 1.579 124.226 122.820 -0.287 0.000 1.940 625 A HA -0.240 4.080 4.320 -0.000 0.000 0.219 625 A C 2.084 179.224 177.584 -0.741 0.000 1.176 625 A CA 1.517 53.342 52.037 -0.354 0.000 0.631 625 A CB -0.594 18.232 19.000 -0.289 0.000 0.814 625 A HN 0.235 nan 8.150 nan 0.000 0.446 626 Q N -0.453 118.785 119.800 -0.937 0.000 2.364 626 Q HA -0.141 4.199 4.340 -0.000 0.000 0.209 626 Q C 1.633 177.370 176.000 -0.438 0.000 0.977 626 Q CA 1.381 56.558 55.803 -1.044 0.000 0.885 626 Q CB -0.154 28.240 28.738 -0.574 0.000 0.941 626 Q HN 0.664 nan 8.270 nan 0.000 0.464 627 K N 0.057 120.279 120.400 -0.296 0.000 2.305 627 K HA 0.068 4.388 4.320 -0.000 0.000 0.199 627 K C 0.273 176.807 176.600 -0.110 0.000 1.047 627 K CA 0.056 56.251 56.287 -0.153 0.000 0.976 627 K CB 0.481 32.910 32.500 -0.119 0.000 0.765 627 K HN -0.043 nan 8.250 nan 0.000 0.474 628 V N 4.046 123.890 119.914 -0.116 0.000 2.585 628 V HA 0.023 4.143 4.120 -0.000 0.000 0.296 628 V C -2.198 173.838 176.094 -0.097 0.000 1.035 628 V CA -1.433 60.824 62.300 -0.072 0.000 1.084 628 V CB 0.304 32.125 31.823 -0.003 0.000 0.953 628 V HN 0.065 nan 8.190 nan 0.000 0.483 629 P HA 0.177 nan 4.420 nan 0.000 0.264 629 P C 0.968 178.005 177.300 -0.438 0.000 1.183 629 P CA 1.412 64.321 63.100 -0.317 0.000 0.763 629 P CB 0.491 31.957 31.700 -0.391 0.000 0.807 630 G N 2.068 110.796 108.800 -0.121 0.000 2.179 630 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.260 630 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.260 630 G C 0.157 175.125 174.900 0.113 0.000 0.977 630 G CA -0.311 44.814 45.100 0.043 0.000 0.641 630 G HN 0.565 nan 8.290 nan 0.000 0.533 631 F N 1.091 121.027 119.950 -0.023 0.000 2.608 631 F HA 0.401 4.928 4.527 -0.000 0.000 0.380 631 F C 1.317 177.131 175.800 0.023 0.000 1.083 631 F CA 0.926 58.937 58.000 0.018 0.000 1.266 631 F CB 0.977 39.978 39.000 0.002 0.000 1.076 631 F HN -0.074 nan 8.300 nan 0.000 0.574 632 V N 4.494 123.999 119.914 -0.680 0.000 2.743 632 V HA 0.103 4.223 4.120 -0.000 0.000 0.237 632 V C 0.352 176.020 176.094 -0.710 0.000 1.113 632 V CA 1.056 63.067 62.300 -0.481 0.000 1.141 632 V CB 0.392 32.026 31.823 -0.315 0.000 0.873 632 V HN 1.043 nan 8.190 nan 0.000 0.486 633 C N -1.835 116.825 119.300 -1.067 0.000 3.253 633 C HA 0.655 5.115 4.460 -0.000 0.000 0.342 633 C C -1.408 173.393 174.990 -0.315 0.000 1.306 633 C CA -1.339 57.316 59.018 -0.605 0.000 1.207 633 C CB 0.737 28.349 27.740 -0.212 0.000 1.479 633 C HN 0.300 nan 8.230 nan 0.000 0.469 634 F N 1.942 121.891 119.950 -0.001 0.000 2.458 634 F HA 0.845 5.372 4.527 -0.000 0.000 0.336 634 F C -0.834 174.949 175.800 -0.028 0.000 1.114 634 F CA -1.296 56.741 58.000 0.062 0.000 0.987 634 F CB 0.915 40.021 39.000 0.178 0.000 1.130 634 F HN 0.727 nan 8.300 nan 0.000 0.458 635 L N 5.776 126.471 121.223 -0.879 0.000 2.334 635 L HA 0.701 5.041 4.340 -0.000 0.000 0.276 635 L C -0.264 175.854 176.870 -1.253 0.000 1.014 635 L CA -0.540 53.870 54.840 -0.717 0.000 0.815 635 L CB 1.868 43.745 42.059 -0.304 0.000 1.268 635 L HN 0.825 nan 8.230 nan 0.000 0.428 636 S N 0.801 116.074 115.700 -0.711 0.000 2.794 636 S HA 0.619 5.088 4.470 -0.000 0.000 0.299 636 S C 0.645 175.237 174.600 -0.013 0.000 1.179 636 S CA -0.109 57.725 58.200 -0.611 0.000 0.838 636 S CB 1.328 64.346 63.200 -0.304 0.000 1.206 636 S HN 0.603 nan 8.310 nan 0.000 0.523 637 A N 0.876 123.766 122.820 0.117 0.000 1.917 637 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 637 A C 1.512 179.168 177.584 0.120 0.000 1.182 637 A CA 2.324 54.485 52.037 0.206 0.000 0.633 637 A CB -1.457 17.625 19.000 0.138 0.000 0.819 637 A HN 0.810 nan 8.150 nan 0.000 0.448 638 D N 0.163 120.607 120.400 0.073 0.000 2.309 638 D HA -0.082 4.558 4.640 -0.000 0.000 0.212 638 D C 1.014 177.353 176.300 0.065 0.000 0.968 638 D CA 0.966 55.001 54.000 0.058 0.000 0.882 638 D CB -0.280 40.548 40.800 0.047 0.000 0.918 638 D HN 0.483 nan 8.370 nan 0.000 0.503 639 D N 0.005 120.453 120.400 0.080 0.000 2.323 639 D HA 0.006 4.646 4.640 -0.000 0.000 0.209 639 D C 0.824 177.193 176.300 0.116 0.000 0.973 639 D CA 0.042 54.102 54.000 0.100 0.000 0.874 639 D CB 0.673 41.528 40.800 0.091 0.000 0.930 639 D HN 0.281 nan 8.370 nan 0.000 0.521 640 I N 3.739 124.359 120.570 0.084 0.000 2.662 640 I HA -0.050 4.120 4.170 -0.000 0.000 0.285 640 I C -0.835 175.261 176.117 -0.034 0.000 1.161 640 I CA -0.848 60.454 61.300 0.004 0.000 1.415 640 I CB 0.937 38.925 38.000 -0.020 0.000 1.385 640 I HN -0.134 nan 8.210 nan 0.000 0.552 641 P HA 0.008 nan 4.420 nan 0.000 0.224 641 P C 0.910 178.135 177.300 -0.125 0.000 1.157 641 P CA 0.731 63.754 63.100 -0.128 0.000 0.799 641 P CB 0.556 32.067 31.700 -0.315 0.000 0.809 642 G N -0.042 108.663 108.800 -0.157 0.000 2.992 642 G HA2 0.221 4.181 3.960 -0.000 0.000 0.201 642 G HA3 0.221 4.181 3.960 -0.000 0.000 0.201 642 G C -0.340 174.507 174.900 -0.088 0.000 2.057 642 G CA 0.157 45.186 45.100 -0.118 0.000 0.800 642 G HN 0.329 nan 8.290 nan 0.000 0.700 643 S N -0.639 115.002 115.700 -0.097 0.000 2.503 643 S HA 0.380 4.850 4.470 -0.000 0.000 0.301 643 S C 0.094 174.634 174.600 -0.100 0.000 1.087 643 S CA -0.609 57.540 58.200 -0.085 0.000 1.042 643 S CB 1.711 64.859 63.200 -0.087 0.000 1.043 643 S HN 0.350 nan 8.310 nan 0.000 0.489 644 N N 2.519 121.175 118.700 -0.074 0.000 2.270 644 N HA 0.090 4.830 4.740 -0.000 0.000 0.198 644 N C -0.144 175.319 175.510 -0.080 0.000 1.117 644 N CA -0.044 52.962 53.050 -0.074 0.000 0.845 644 N CB 0.294 38.769 38.487 -0.020 0.000 0.980 644 N HN 0.769 nan 8.380 nan 0.000 0.486 645 E N 0.137 120.280 120.200 -0.095 0.000 2.115 645 E HA 0.234 4.584 4.350 -0.000 0.000 0.282 645 E C -0.822 175.662 176.600 -0.193 0.000 0.987 645 E CA -0.210 56.128 56.400 -0.104 0.000 0.797 645 E CB 0.770 30.424 29.700 -0.077 0.000 1.086 645 E HN 0.069 nan 8.360 nan 0.000 0.397 646 T N 2.295 116.711 114.554 -0.230 0.000 2.669 646 T HA 0.765 5.115 4.350 -0.000 0.000 0.283 646 T C -0.629 173.839 174.700 -0.386 0.000 1.019 646 T CA 0.392 62.225 62.100 -0.445 0.000 1.039 646 T CB 1.267 69.876 68.868 -0.432 0.000 1.374 646 T HN 0.917 nan 8.240 nan 0.000 0.523 647 G N 0.618 109.067 108.800 -0.585 0.000 2.675 647 G HA2 -0.020 3.939 3.960 -0.000 0.000 0.686 647 G HA3 -0.020 3.939 3.960 -0.000 0.000 0.686 647 G C 0.221 175.146 174.900 0.041 0.000 1.215 647 G CA -0.161 44.867 45.100 -0.119 0.000 0.777 647 G HN 1.013 nan 8.290 nan 0.000 0.638 648 L N 0.400 121.819 121.223 0.328 0.000 2.089 648 L HA 0.123 4.463 4.340 -0.000 0.000 0.213 648 L C 1.972 178.793 176.870 -0.081 0.000 1.079 648 L CA 2.381 57.368 54.840 0.245 0.000 0.758 648 L CB -0.448 41.762 42.059 0.253 0.000 0.891 648 L HN 0.575 nan 8.230 nan 0.000 0.433 649 F N -0.792 119.185 119.950 0.046 0.000 2.772 649 F HA 0.264 4.791 4.527 -0.000 0.000 0.302 649 F C 0.964 176.744 175.800 -0.033 0.000 1.136 649 F CA -0.553 57.448 58.000 0.002 0.000 1.322 649 F CB -0.798 38.185 39.000 -0.028 0.000 0.967 649 F HN 0.044 nan 8.300 nan 0.000 0.513 650 N N 0.634 119.353 118.700 0.032 0.000 2.710 650 N HA -0.271 4.469 4.740 -0.000 0.000 0.249 650 N C 0.552 176.072 175.510 0.016 0.000 1.059 650 N CA 0.840 53.871 53.050 -0.032 0.000 0.720 650 N CB -0.649 37.818 38.487 -0.032 0.000 0.983 650 N HN 0.255 nan 8.380 nan 0.000 0.544 651 D N 0.018 120.444 120.400 0.043 0.000 2.354 651 D HA 0.029 4.669 4.640 -0.000 0.000 0.209 651 D C 0.497 176.809 176.300 0.020 0.000 1.015 651 D CA 0.759 54.783 54.000 0.039 0.000 0.867 651 D CB 0.481 41.300 40.800 0.032 0.000 0.933 651 D HN 0.674 nan 8.370 nan 0.000 0.520 652 E N -1.376 118.824 120.200 -0.001 0.000 2.431 652 E HA 0.484 4.834 4.350 -0.000 0.000 0.268 652 E C -0.512 176.094 176.600 0.010 0.000 0.953 652 E CA -0.939 55.469 56.400 0.013 0.000 0.810 652 E CB 0.990 30.693 29.700 0.005 0.000 1.369 652 E HN -0.049 nan 8.360 nan 0.000 0.440 653 T N -2.204 112.395 114.554 0.074 0.000 2.925 653 T HA 0.322 4.672 4.350 -0.000 0.000 0.285 653 T C 0.857 175.569 174.700 0.020 0.000 1.021 653 T CA -0.807 61.330 62.100 0.063 0.000 1.042 653 T CB 1.518 70.473 68.868 0.145 0.000 1.037 653 T HN 0.236 nan 8.240 nan 0.000 0.481 654 V N 0.296 120.160 119.914 -0.084 0.000 2.407 654 V HA 0.234 4.354 4.120 -0.000 0.000 0.245 654 V C 0.205 176.141 176.094 -0.264 0.000 1.041 654 V CA 0.964 63.108 62.300 -0.260 0.000 1.040 654 V CB -0.602 30.965 31.823 -0.428 0.000 0.671 654 V HN 0.846 nan 8.190 nan 0.000 0.455 655 F N -0.790 119.165 119.950 0.008 0.000 2.539 655 F HA 0.683 5.210 4.527 -0.000 0.000 0.318 655 F C 0.342 176.123 175.800 -0.031 0.000 1.135 655 F CA -1.032 56.959 58.000 -0.015 0.000 0.915 655 F CB 1.275 40.247 39.000 -0.046 0.000 1.176 655 F HN 0.003 nan 8.300 nan 0.000 0.440 656 A N 3.288 126.158 122.820 0.084 0.000 2.587 656 A HA 0.217 4.537 4.320 -0.000 0.000 0.235 656 A C -0.360 177.230 177.584 0.010 0.000 1.044 656 A CA 0.303 52.275 52.037 -0.108 0.000 0.754 656 A CB 0.234 18.961 19.000 -0.455 0.000 0.968 656 A HN 0.590 nan 8.150 nan 0.000 0.509 657 K N 2.032 122.456 120.400 0.039 0.000 2.463 657 K HA 0.444 4.764 4.320 -0.000 0.000 0.255 657 K C -0.009 176.623 176.600 0.053 0.000 0.942 657 K CA 0.050 56.367 56.287 0.050 0.000 0.814 657 K CB 0.768 33.304 32.500 0.061 0.000 1.122 657 K HN 0.724 nan 8.250 nan 0.000 0.425 658 D N 0.404 120.827 120.400 0.040 0.000 3.322 658 D HA -0.221 4.418 4.640 -0.000 0.000 0.190 658 D C -0.100 176.236 176.300 0.060 0.000 1.485 658 D CA 2.461 56.487 54.000 0.043 0.000 2.184 658 D CB -0.944 39.886 40.800 0.049 0.000 1.315 658 D HN 0.707 nan 8.370 nan 0.000 0.435 659 T N -2.034 112.575 114.554 0.091 0.000 2.900 659 T HA 0.625 4.975 4.350 -0.000 0.000 0.303 659 T C -0.242 174.570 174.700 0.186 0.000 1.142 659 T CA -0.423 61.764 62.100 0.145 0.000 1.007 659 T CB 2.865 71.841 68.868 0.180 0.000 1.156 659 T HN 0.374 nan 8.240 nan 0.000 0.490 660 V N 0.100 120.171 119.914 0.263 0.000 2.547 660 V HA 0.814 4.934 4.120 -0.000 0.000 0.299 660 V C 0.712 177.081 176.094 0.460 0.000 1.040 660 V CA -0.208 62.313 62.300 0.370 0.000 0.913 660 V CB 1.150 33.156 31.823 0.305 0.000 0.992 660 V HN 1.221 nan 8.190 nan 0.000 0.449 661 T N -1.179 113.676 114.554 0.501 0.000 3.132 661 T HA 0.433 4.783 4.350 -0.000 0.000 0.274 661 T C 0.191 174.902 174.700 0.017 0.000 1.011 661 T CA 0.316 62.488 62.100 0.120 0.000 0.899 661 T CB -0.718 68.129 68.868 -0.034 0.000 1.089 661 T HN 1.788 nan 8.240 nan 0.000 0.543 662 C N -0.941 118.426 119.300 0.112 0.000 3.249 662 C HA 0.664 5.124 4.460 -0.000 0.000 0.358 662 C C -0.667 174.396 174.990 0.121 0.000 1.187 662 C CA -1.221 57.836 59.018 0.064 0.000 1.170 662 C CB 0.714 28.455 27.740 0.002 0.000 1.478 662 C HN 0.154 nan 8.230 nan 0.000 0.508 663 V N 3.195 123.162 119.914 0.088 0.000 2.521 663 V HA 0.554 4.674 4.120 -0.000 0.000 0.286 663 V C 1.571 177.740 176.094 0.125 0.000 1.034 663 V CA 2.284 64.640 62.300 0.093 0.000 1.045 663 V CB 0.479 32.345 31.823 0.071 0.000 0.974 663 V HN 2.358 nan 8.190 nan 0.000 0.480 664 G N 3.250 112.141 108.800 0.152 0.000 2.201 664 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.212 664 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.212 664 G C 0.254 175.287 174.900 0.220 0.000 0.994 664 G CA 0.149 45.347 45.100 0.162 0.000 0.644 664 G HN 0.909 nan 8.290 nan 0.000 0.508 665 H N 0.914 120.053 119.070 0.116 0.000 3.107 665 H HA 0.342 4.898 4.556 -0.000 0.000 0.301 665 H C 0.798 176.218 175.328 0.154 0.000 0.981 665 H CA -0.423 55.701 56.048 0.127 0.000 1.443 665 H CB 0.163 30.002 29.762 0.129 0.000 1.479 665 H HN 0.266 nan 8.280 nan 0.000 0.564 666 I N 7.650 128.453 120.570 0.389 0.000 2.494 666 I HA -0.142 4.028 4.170 -0.000 0.000 0.289 666 I C 0.996 177.228 176.117 0.193 0.000 1.106 666 I CA 0.325 61.791 61.300 0.277 0.000 1.369 666 I CB 0.529 38.723 38.000 0.323 0.000 1.410 666 I HN 0.707 nan 8.210 nan 0.000 0.523 667 I N 4.882 125.515 120.570 0.105 0.000 2.731 667 I HA 0.202 4.372 4.170 -0.000 0.000 0.260 667 I C 1.318 177.334 176.117 -0.169 0.000 1.138 667 I CA 0.421 61.730 61.300 0.014 0.000 1.461 667 I CB 0.026 38.053 38.000 0.045 0.000 1.128 667 I HN 0.760 nan 8.210 nan 0.000 0.438 668 G N 0.049 108.668 108.800 -0.302 0.000 2.500 668 G HA2 0.737 4.697 3.960 -0.000 0.000 0.299 668 G HA3 0.737 4.697 3.960 -0.000 0.000 0.299 668 G C -2.025 172.530 174.900 -0.577 0.000 1.242 668 G CA 0.154 44.623 45.100 -1.052 0.000 0.859 668 G HN 0.237 nan 8.290 nan 0.000 0.481 669 A N -1.478 120.963 122.820 -0.632 0.000 2.594 669 A HA 0.708 5.028 4.320 -0.000 0.000 0.296 669 A C -1.461 176.092 177.584 -0.052 0.000 1.061 669 A CA -0.343 51.611 52.037 -0.138 0.000 0.689 669 A CB 1.472 20.476 19.000 0.007 0.000 1.280 669 A HN 1.549 nan 8.150 nan 0.000 0.406 670 V N 1.339 121.341 119.914 0.147 0.000 2.532 670 V HA 0.603 4.723 4.120 -0.000 0.000 0.295 670 V C -0.233 175.894 176.094 0.055 0.000 1.041 670 V CA -0.491 61.916 62.300 0.179 0.000 0.926 670 V CB 1.651 33.662 31.823 0.314 0.000 0.992 670 V HN 0.730 nan 8.190 nan 0.000 0.457 671 V N 3.659 123.523 119.914 -0.083 0.000 2.495 671 V HA 0.926 5.046 4.120 -0.000 0.000 0.298 671 V C 0.209 176.229 176.094 -0.124 0.000 1.031 671 V CA -0.146 62.110 62.300 -0.074 0.000 0.871 671 V CB 1.437 33.187 31.823 -0.121 0.000 0.988 671 V HN 1.094 nan 8.190 nan 0.000 0.432 672 A N 2.856 125.699 122.820 0.038 0.000 2.564 672 A HA 0.698 5.018 4.320 -0.000 0.000 0.288 672 A C 0.471 178.177 177.584 0.202 0.000 1.164 672 A CA -0.070 52.022 52.037 0.091 0.000 0.712 672 A CB 1.399 20.512 19.000 0.189 0.000 1.303 672 A HN 0.755 nan 8.150 nan 0.000 0.418 673 D N -0.387 120.149 120.400 0.227 0.000 2.269 673 D HA 0.025 4.665 4.640 -0.000 0.000 0.208 673 D C 0.718 177.221 176.300 0.338 0.000 0.963 673 D CA 1.758 55.921 54.000 0.272 0.000 0.864 673 D CB -0.258 40.674 40.800 0.221 0.000 0.936 673 D HN 0.750 nan 8.370 nan 0.000 0.505 674 T N -5.127 109.538 114.554 0.185 0.000 2.896 674 T HA 0.471 4.821 4.350 -0.000 0.000 0.297 674 T C -2.505 171.990 174.700 -0.341 0.000 1.108 674 T CA -1.731 60.222 62.100 -0.245 0.000 1.004 674 T CB 2.452 71.100 68.868 -0.366 0.000 1.159 674 T HN -0.401 nan 8.240 nan 0.000 0.499 675 P HA -0.011 nan 4.420 nan 0.000 0.217 675 P C 1.101 178.307 177.300 -0.157 0.000 1.150 675 P CA 1.042 63.918 63.100 -0.373 0.000 0.832 675 P CB 0.123 31.552 31.700 -0.452 0.000 0.787 676 E N -1.436 118.633 120.200 -0.218 0.000 2.051 676 E HA -0.188 4.162 4.350 -0.000 0.000 0.192 676 E C 1.993 178.598 176.600 0.008 0.000 0.991 676 E CA 1.327 57.650 56.400 -0.129 0.000 0.799 676 E CB -1.102 28.478 29.700 -0.200 0.000 0.748 676 E HN 0.511 nan 8.360 nan 0.000 0.449 677 H N -0.533 118.537 119.070 0.000 0.000 2.389 677 H HA 0.014 4.570 4.556 -0.000 0.000 0.299 677 H C 1.940 177.328 175.328 0.099 0.000 1.081 677 H CA 0.646 56.727 56.048 0.056 0.000 1.345 677 H CB 0.069 29.873 29.762 0.069 0.000 1.393 677 H HN 0.217 nan 8.280 nan 0.000 0.520 678 A N 0.920 123.870 122.820 0.216 0.000 1.930 678 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 678 A C 2.165 179.853 177.584 0.174 0.000 1.175 678 A CA 1.651 53.807 52.037 0.198 0.000 0.627 678 A CB -0.323 18.788 19.000 0.185 0.000 0.815 678 A HN 0.491 nan 8.150 nan 0.000 0.443 679 E N -0.297 119.978 120.200 0.125 0.000 2.047 679 E HA -0.192 4.158 4.350 -0.000 0.000 0.191 679 E C 2.305 178.980 176.600 0.125 0.000 0.987 679 E CA 1.018 57.480 56.400 0.103 0.000 0.799 679 E CB -0.078 29.645 29.700 0.037 0.000 0.752 679 E HN 0.593 nan 8.360 nan 0.000 0.449 680 R N 0.088 120.658 120.500 0.118 0.000 2.081 680 R HA -0.106 4.234 4.340 -0.000 0.000 0.235 680 R C 2.398 178.789 176.300 0.151 0.000 1.131 680 R CA 1.166 57.337 56.100 0.117 0.000 0.960 680 R CB -0.301 30.065 30.300 0.110 0.000 0.856 680 R HN 0.148 nan 8.270 nan 0.000 0.436 681 A N 1.341 124.264 122.820 0.171 0.000 1.873 681 A HA -0.081 4.239 4.320 -0.000 0.000 0.215 681 A C 2.406 180.084 177.584 0.157 0.000 1.186 681 A CA 1.567 53.705 52.037 0.167 0.000 0.616 681 A CB -0.724 18.465 19.000 0.315 0.000 0.823 681 A HN 0.383 nan 8.150 nan 0.000 0.442 682 A N -1.172 121.765 122.820 0.195 0.000 1.908 682 A HA -0.270 4.050 4.320 -0.000 0.000 0.218 682 A C 2.127 179.788 177.584 0.128 0.000 1.181 682 A CA 1.836 53.978 52.037 0.175 0.000 0.627 682 A CB -1.026 18.087 19.000 0.188 0.000 0.818 682 A HN 0.761 nan 8.150 nan 0.000 0.445 683 H N -0.385 118.722 119.070 0.061 0.000 2.456 683 H HA -0.027 4.529 4.556 -0.000 0.000 0.296 683 H C 1.142 176.480 175.328 0.016 0.000 1.079 683 H CA 1.804 57.877 56.048 0.042 0.000 1.322 683 H CB 0.200 29.983 29.762 0.035 0.000 1.388 683 H HN 0.264 nan 8.280 nan 0.000 0.538 684 V N 1.408 121.322 119.914 0.001 0.000 3.596 684 V HA 0.036 4.156 4.120 -0.000 0.000 0.289 684 V C 0.750 176.768 176.094 -0.127 0.000 1.336 684 V CA 0.047 62.305 62.300 -0.071 0.000 1.137 684 V CB 0.510 32.326 31.823 -0.011 0.000 0.966 684 V HN 0.024 nan 8.190 nan 0.000 0.428 685 V N 1.979 121.813 119.914 -0.134 0.000 2.479 685 V HA 0.107 4.227 4.120 -0.000 0.000 0.281 685 V C 0.418 176.394 176.094 -0.197 0.000 1.031 685 V CA 0.044 62.215 62.300 -0.216 0.000 1.038 685 V CB 0.909 32.578 31.823 -0.257 0.000 0.981 685 V HN 0.402 nan 8.190 nan 0.000 0.478 686 K N 4.666 124.943 120.400 -0.206 0.000 2.234 686 K HA 0.560 4.880 4.320 -0.000 0.000 0.277 686 K C -1.149 175.332 176.600 -0.197 0.000 1.038 686 K CA -0.444 55.744 56.287 -0.165 0.000 0.888 686 K CB 1.319 33.738 32.500 -0.135 0.000 1.091 686 K HN 0.510 nan 8.250 nan 0.000 0.467 687 V N 3.666 123.460 119.914 -0.199 0.000 2.417 687 V HA 0.255 4.375 4.120 -0.000 0.000 0.291 687 V C -0.257 175.583 176.094 -0.424 0.000 1.024 687 V CA -0.768 61.316 62.300 -0.360 0.000 0.861 687 V CB 1.817 33.351 31.823 -0.482 0.000 0.985 687 V HN 0.799 nan 8.190 nan 0.000 0.436 688 T N 5.222 119.543 114.554 -0.389 0.000 2.767 688 T HA 0.639 4.989 4.350 -0.000 0.000 0.284 688 T C -0.830 173.687 174.700 -0.305 0.000 0.973 688 T CA -0.011 61.949 62.100 -0.234 0.000 0.996 688 T CB 0.381 69.176 68.868 -0.122 0.000 0.927 688 T HN 0.448 nan 8.240 nan 0.000 0.456 689 Y N 0.988 121.280 120.300 -0.012 0.000 2.621 689 Y HA 0.602 5.152 4.550 -0.000 0.000 0.334 689 Y C 0.597 176.490 175.900 -0.011 0.000 1.074 689 Y CA -1.391 56.705 58.100 -0.007 0.000 1.149 689 Y CB 1.440 39.902 38.460 0.003 0.000 1.302 689 Y HN 0.518 nan 8.280 nan 0.000 0.501 690 E N 1.358 121.664 120.200 0.176 0.000 2.409 690 E HA 0.189 4.539 4.350 -0.000 0.000 0.259 690 E C -1.660 174.967 176.600 0.044 0.000 0.932 690 E CA -0.664 55.781 56.400 0.075 0.000 0.809 690 E CB 0.559 30.281 29.700 0.035 0.000 1.341 690 E HN 0.560 nan 8.360 nan 0.000 0.405 691 D N 3.148 123.561 120.400 0.022 0.000 2.478 691 D HA 0.081 4.721 4.640 -0.000 0.000 0.234 691 D C -0.024 176.228 176.300 -0.080 0.000 1.154 691 D CA 0.793 54.777 54.000 -0.027 0.000 0.874 691 D CB 0.845 41.630 40.800 -0.024 0.000 1.198 691 D HN 0.403 nan 8.370 nan 0.000 0.455 692 L N 2.194 123.316 121.223 -0.167 0.000 2.323 692 L HA 0.361 4.701 4.340 -0.000 0.000 0.265 692 L C -2.277 174.499 176.870 -0.157 0.000 1.012 692 L CA -2.125 52.551 54.840 -0.274 0.000 0.820 692 L CB 1.960 43.605 42.059 -0.691 0.000 1.334 692 L HN 0.070 nan 8.230 nan 0.000 0.427 693 P HA 0.073 nan 4.420 nan 0.000 0.261 693 P C -1.107 176.298 177.300 0.175 0.000 1.183 693 P CA 0.123 63.244 63.100 0.034 0.000 0.761 693 P CB 0.611 32.325 31.700 0.024 0.000 0.785 694 A N 4.174 127.065 122.820 0.119 0.000 2.325 694 A HA 0.694 5.014 4.320 -0.000 0.000 0.333 694 A C -0.446 177.148 177.584 0.017 0.000 1.155 694 A CA -0.713 51.393 52.037 0.115 0.000 0.814 694 A CB 0.662 19.712 19.000 0.084 0.000 1.206 694 A HN 0.489 nan 8.150 nan 0.000 0.482 695 I N 3.418 123.966 120.570 -0.037 0.000 2.411 695 I HA 0.223 4.393 4.170 -0.000 0.000 0.284 695 I C -0.075 175.986 176.117 -0.093 0.000 1.012 695 I CA -0.356 60.896 61.300 -0.080 0.000 1.119 695 I CB 1.339 39.264 38.000 -0.124 0.000 1.261 695 I HN 0.574 nan 8.210 nan 0.000 0.448 696 I N 2.769 123.290 120.570 -0.082 0.000 2.899 696 I HA 0.041 4.211 4.170 -0.000 0.000 0.257 696 I C 1.523 177.576 176.117 -0.107 0.000 1.115 696 I CA 0.976 62.218 61.300 -0.096 0.000 1.451 696 I CB -0.616 37.336 38.000 -0.080 0.000 1.251 696 I HN 0.504 nan 8.210 nan 0.000 0.456 697 T N -1.066 113.436 114.554 -0.087 0.000 2.881 697 T HA 0.481 4.831 4.350 -0.000 0.000 0.278 697 T C 1.438 176.104 174.700 -0.058 0.000 0.982 697 T CA -0.457 61.600 62.100 -0.071 0.000 0.989 697 T CB 1.779 70.607 68.868 -0.067 0.000 1.058 697 T HN 0.044 nan 8.240 nan 0.000 0.529 698 I N 0.401 120.962 120.570 -0.016 0.000 2.226 698 I HA -0.135 4.035 4.170 -0.000 0.000 0.245 698 I C 2.596 178.679 176.117 -0.055 0.000 1.100 698 I CA 1.373 62.677 61.300 0.006 0.000 1.374 698 I CB -0.381 37.669 38.000 0.083 0.000 1.057 698 I HN 0.691 nan 8.210 nan 0.000 0.413 699 E N 0.912 121.071 120.200 -0.069 0.000 2.077 699 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 699 E C 1.772 178.317 176.600 -0.093 0.000 0.989 699 E CA 1.251 57.597 56.400 -0.089 0.000 0.800 699 E CB -0.261 29.394 29.700 -0.076 0.000 0.746 699 E HN 0.389 nan 8.360 nan 0.000 0.452 700 D N 0.053 120.399 120.400 -0.090 0.000 2.092 700 D HA -0.165 4.475 4.640 -0.000 0.000 0.193 700 D C 1.858 178.071 176.300 -0.145 0.000 0.994 700 D CA 1.657 55.597 54.000 -0.099 0.000 0.828 700 D CB -0.483 40.263 40.800 -0.090 0.000 0.963 700 D HN 0.211 nan 8.370 nan 0.000 0.450 701 A N 0.835 123.550 122.820 -0.175 0.000 1.883 701 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 701 A C 2.444 179.775 177.584 -0.420 0.000 1.186 701 A CA 1.208 53.062 52.037 -0.306 0.000 0.624 701 A CB -0.830 18.011 19.000 -0.265 0.000 0.822 701 A HN 0.219 nan 8.150 nan 0.000 0.444 702 I N -0.597 119.846 120.570 -0.213 0.000 2.179 702 I HA -0.283 3.887 4.170 -0.000 0.000 0.242 702 I C 2.563 178.629 176.117 -0.084 0.000 1.088 702 I CA 1.965 63.228 61.300 -0.062 0.000 1.357 702 I CB -0.314 37.662 38.000 -0.039 0.000 1.051 702 I HN 0.404 nan 8.210 nan 0.000 0.409 703 K N 0.992 121.334 120.400 -0.097 0.000 2.103 703 K HA -0.185 4.135 4.320 -0.000 0.000 0.207 703 K C 1.440 177.986 176.600 -0.089 0.000 1.048 703 K CA 1.603 57.847 56.287 -0.073 0.000 0.930 703 K CB -0.011 32.448 32.500 -0.068 0.000 0.716 703 K HN 0.332 nan 8.250 nan 0.000 0.444 704 N N 1.035 119.646 118.700 -0.149 0.000 2.270 704 N HA -0.068 4.672 4.740 -0.000 0.000 0.198 704 N C -0.387 174.995 175.510 -0.213 0.000 1.117 704 N CA 0.280 53.238 53.050 -0.154 0.000 0.845 704 N CB 0.182 38.578 38.487 -0.153 0.000 0.980 704 N HN 0.264 nan 8.380 nan 0.000 0.486 705 N N 0.719 119.246 118.700 -0.289 0.000 2.727 705 N HA -0.201 4.539 4.740 -0.000 0.000 0.249 705 N C -1.080 174.087 175.510 -0.571 0.000 1.048 705 N CA 0.355 53.204 53.050 -0.335 0.000 0.714 705 N CB -1.249 37.219 38.487 -0.033 0.000 0.959 705 N HN 0.006 nan 8.380 nan 0.000 0.544 706 S N 1.138 116.307 115.700 -0.884 0.000 2.543 706 S HA 0.616 5.086 4.470 -0.000 0.000 0.299 706 S C -0.712 173.380 174.600 -0.847 0.000 1.125 706 S CA -0.531 57.273 58.200 -0.661 0.000 1.098 706 S CB -0.293 62.636 63.200 -0.451 0.000 1.063 706 S HN 0.314 nan 8.310 nan 0.000 0.493 707 F N 2.229 122.070 119.950 -0.182 0.000 2.640 707 F HA 0.490 5.017 4.527 -0.000 0.000 0.324 707 F C -0.677 174.982 175.800 -0.234 0.000 1.077 707 F CA -1.308 56.577 58.000 -0.192 0.000 0.965 707 F CB 1.308 40.277 39.000 -0.051 0.000 1.351 707 F HN 0.274 nan 8.300 nan 0.000 0.487 708 Y N 0.940 121.354 120.300 0.190 0.000 2.353 708 Y HA 0.511 5.061 4.550 -0.000 0.000 0.340 708 Y C 0.736 176.662 175.900 0.042 0.000 0.972 708 Y CA -0.287 57.847 58.100 0.058 0.000 1.157 708 Y CB 1.162 39.619 38.460 -0.006 0.000 1.157 708 Y HN 0.890 nan 8.280 nan 0.000 0.495 709 G N 1.989 110.890 108.800 0.168 0.000 2.752 709 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.234 709 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.234 709 G C -0.255 174.680 174.900 0.058 0.000 1.367 709 G CA -0.376 44.768 45.100 0.074 0.000 0.879 709 G HN 0.902 nan 8.290 nan 0.000 0.563 710 S N -0.967 114.743 115.700 0.017 0.000 2.707 710 S HA 0.633 5.103 4.470 -0.000 0.000 0.276 710 S C 0.336 174.900 174.600 -0.059 0.000 1.179 710 S CA 0.348 58.537 58.200 -0.018 0.000 0.992 710 S CB 1.809 65.002 63.200 -0.011 0.000 1.030 710 S HN 1.115 nan 8.310 nan 0.000 0.554 711 E N -0.106 120.031 120.200 -0.106 0.000 2.442 711 E HA 0.131 4.480 4.350 -0.000 0.000 0.262 711 E C -1.037 175.497 176.600 -0.109 0.000 1.004 711 E CA -0.130 56.182 56.400 -0.145 0.000 0.928 711 E CB 0.305 29.921 29.700 -0.141 0.000 0.937 711 E HN 0.527 nan 8.360 nan 0.000 0.446 712 L N 4.270 125.400 121.223 -0.155 0.000 2.334 712 L HA 0.494 4.834 4.340 -0.000 0.000 0.275 712 L C -0.142 176.675 176.870 -0.089 0.000 1.036 712 L CA -0.359 54.365 54.840 -0.194 0.000 0.807 712 L CB 1.276 43.121 42.059 -0.358 0.000 1.231 712 L HN 0.583 nan 8.230 nan 0.000 0.438 713 K N 3.442 123.852 120.400 0.017 0.000 2.572 713 K HA 0.561 4.881 4.320 -0.000 0.000 0.263 713 K C -1.935 174.819 176.600 0.257 0.000 0.932 713 K CA -0.547 55.810 56.287 0.118 0.000 0.838 713 K CB 1.912 34.458 32.500 0.077 0.000 1.366 713 K HN 0.484 nan 8.250 nan 0.000 0.425 714 I N 2.663 123.371 120.570 0.230 0.000 2.478 714 I HA 0.335 4.505 4.170 -0.000 0.000 0.287 714 I C -1.056 175.185 176.117 0.206 0.000 1.042 714 I CA -0.590 60.856 61.300 0.244 0.000 1.067 714 I CB 2.103 40.257 38.000 0.256 0.000 1.233 714 I HN 0.642 nan 8.210 nan 0.000 0.431 715 E N 6.872 127.174 120.200 0.170 0.000 2.275 715 E HA 0.488 4.838 4.350 -0.000 0.000 0.270 715 E C -1.528 175.141 176.600 0.114 0.000 0.882 715 E CA -0.813 55.666 56.400 0.132 0.000 0.758 715 E CB 2.533 32.293 29.700 0.100 0.000 1.195 715 E HN 0.513 nan 8.360 nan 0.000 0.419 716 K N 3.134 123.594 120.400 0.099 0.000 2.464 716 K HA 0.649 4.969 4.320 -0.000 0.000 0.253 716 K C -0.211 176.409 176.600 0.034 0.000 0.933 716 K CA 0.189 56.520 56.287 0.073 0.000 0.801 716 K CB 1.665 34.224 32.500 0.098 0.000 1.271 716 K HN 0.749 nan 8.250 nan 0.000 0.430 717 G N 2.224 111.035 108.800 0.018 0.000 2.632 717 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.224 717 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.224 717 G C -1.307 173.589 174.900 -0.007 0.000 1.341 717 G CA -0.072 45.024 45.100 -0.006 0.000 0.880 717 G HN 0.684 nan 8.290 nan 0.000 0.566 718 D N 0.527 120.912 120.400 -0.025 0.000 2.461 718 D HA 0.482 5.122 4.640 -0.000 0.000 0.240 718 D C 1.796 178.073 176.300 -0.038 0.000 1.094 718 D CA -0.472 53.518 54.000 -0.016 0.000 0.868 718 D CB 0.876 41.669 40.800 -0.013 0.000 1.062 718 D HN 0.355 nan 8.370 nan 0.000 0.530 719 L N 3.210 124.424 121.223 -0.015 0.000 1.994 719 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 719 L C 2.519 179.434 176.870 0.075 0.000 1.071 719 L CA 1.130 55.957 54.840 -0.022 0.000 0.745 719 L CB -0.209 41.910 42.059 0.099 0.000 0.892 719 L HN 0.377 nan 8.230 nan 0.000 0.431 720 K N 0.261 120.734 120.400 0.123 0.000 2.074 720 K HA -0.267 4.053 4.320 -0.000 0.000 0.209 720 K C 2.364 179.020 176.600 0.094 0.000 1.048 720 K CA 1.590 57.962 56.287 0.141 0.000 0.926 720 K CB -0.058 32.489 32.500 0.079 0.000 0.713 720 K HN 0.021 nan 8.250 nan 0.000 0.444 721 K N 0.299 120.718 120.400 0.031 0.000 2.025 721 K HA -0.100 4.220 4.320 -0.000 0.000 0.207 721 K C 2.076 178.660 176.600 -0.026 0.000 1.049 721 K CA 1.837 58.126 56.287 0.003 0.000 0.933 721 K CB -0.679 31.814 32.500 -0.013 0.000 0.714 721 K HN 0.326 nan 8.250 nan 0.000 0.438 722 G N 0.300 109.044 108.800 -0.093 0.000 2.440 722 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.218 722 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.218 722 G C 1.591 176.382 174.900 -0.182 0.000 1.154 722 G CA 0.700 45.686 45.100 -0.191 0.000 0.767 722 G HN 0.327 nan 8.290 nan 0.000 0.552 723 F N 1.784 121.705 119.950 -0.048 0.000 2.234 723 F HA -0.073 4.454 4.527 -0.000 0.000 0.299 723 F C 3.139 178.902 175.800 -0.061 0.000 1.087 723 F CA 1.163 59.127 58.000 -0.060 0.000 1.340 723 F CB 0.083 39.051 39.000 -0.053 0.000 1.031 723 F HN 0.263 nan 8.300 nan 0.000 0.500 724 S N 0.207 115.984 115.700 0.128 0.000 2.447 724 S HA -0.196 4.274 4.470 -0.000 0.000 0.233 724 S C 1.449 176.060 174.600 0.018 0.000 1.006 724 S CA 1.202 59.436 58.200 0.057 0.000 0.957 724 S CB -0.648 62.574 63.200 0.037 0.000 0.773 724 S HN 0.695 nan 8.310 nan 0.000 0.507 725 E N 1.009 121.210 120.200 0.000 0.000 2.476 725 E HA 0.476 4.826 4.350 -0.000 0.000 0.199 725 E C 0.683 177.261 176.600 -0.036 0.000 1.021 725 E CA 0.092 56.478 56.400 -0.022 0.000 0.907 725 E CB 0.015 29.696 29.700 -0.032 0.000 0.974 725 E HN 0.526 nan 8.360 nan 0.000 0.489 726 A N 1.589 124.388 122.820 -0.036 0.000 2.425 726 A HA 0.055 4.375 4.320 -0.000 0.000 0.249 726 A C 0.401 177.922 177.584 -0.104 0.000 1.084 726 A CA -0.274 51.719 52.037 -0.074 0.000 0.781 726 A CB 0.435 19.396 19.000 -0.065 0.000 1.019 726 A HN 0.090 nan 8.150 nan 0.000 0.490 727 D N 0.577 120.888 120.400 -0.149 0.000 2.162 727 D HA -0.017 4.623 4.640 -0.000 0.000 0.203 727 D C -0.010 176.149 176.300 -0.235 0.000 0.967 727 D CA 1.240 55.151 54.000 -0.149 0.000 0.840 727 D CB 0.122 40.855 40.800 -0.112 0.000 0.972 727 D HN 0.599 nan 8.370 nan 0.000 0.482 728 N N -0.173 118.246 118.700 -0.469 0.000 2.265 728 N HA 0.385 5.125 4.740 -0.000 0.000 0.300 728 N C -1.090 174.017 175.510 -0.673 0.000 1.148 728 N CA -0.455 52.223 53.050 -0.619 0.000 0.772 728 N CB 3.282 41.225 38.487 -0.906 0.000 1.434 728 N HN -0.273 nan 8.380 nan 0.000 0.481 729 V N 1.365 121.081 119.914 -0.331 0.000 2.524 729 V HA 0.348 4.468 4.120 -0.000 0.000 0.297 729 V C -0.501 175.609 176.094 0.027 0.000 1.035 729 V CA -0.718 61.521 62.300 -0.103 0.000 0.867 729 V CB 2.052 33.832 31.823 -0.071 0.000 1.004 729 V HN 0.363 nan 8.190 nan 0.000 0.426 730 V N 3.682 123.726 119.914 0.217 0.000 2.459 730 V HA 0.669 4.789 4.120 -0.000 0.000 0.295 730 V C 0.089 176.254 176.094 0.118 0.000 1.029 730 V CA -0.162 62.272 62.300 0.224 0.000 0.874 730 V CB 2.023 34.083 31.823 0.396 0.000 0.985 730 V HN 0.848 nan 8.190 nan 0.000 0.438 731 S N 2.662 118.349 115.700 -0.022 0.000 2.536 731 S HA 0.969 5.439 4.470 -0.000 0.000 0.298 731 S C -0.134 174.247 174.600 -0.365 0.000 1.083 731 S CA 0.266 58.338 58.200 -0.214 0.000 0.995 731 S CB 1.789 64.885 63.200 -0.173 0.000 1.058 731 S HN 1.282 nan 8.310 nan 0.000 0.488 732 G N 1.508 109.825 108.800 -0.805 0.000 2.488 732 G HA2 0.496 4.456 3.960 -0.000 0.000 0.301 732 G HA3 0.496 4.456 3.960 -0.000 0.000 0.301 732 G C -2.021 172.522 174.900 -0.595 0.000 1.339 732 G CA -0.590 44.125 45.100 -0.642 0.000 0.803 732 G HN 0.728 nan 8.290 nan 0.000 0.482 733 E N -1.153 118.994 120.200 -0.088 0.000 2.317 733 E HA 0.710 5.060 4.350 -0.000 0.000 0.270 733 E C -1.928 174.872 176.600 0.334 0.000 0.885 733 E CA -0.757 55.725 56.400 0.138 0.000 0.760 733 E CB 2.536 32.291 29.700 0.090 0.000 1.227 733 E HN 0.525 nan 8.360 nan 0.000 0.434 734 L N 3.638 125.099 121.223 0.396 0.000 2.424 734 L HA 0.576 4.916 4.340 -0.000 0.000 0.258 734 L C -2.127 175.008 176.870 0.442 0.000 0.995 734 L CA -0.642 54.437 54.840 0.398 0.000 0.821 734 L CB 1.957 44.223 42.059 0.346 0.000 1.383 734 L HN 0.676 nan 8.230 nan 0.000 0.410 735 Y N 3.865 124.348 120.300 0.305 0.000 2.477 735 Y HA 0.726 5.275 4.550 -0.000 0.000 0.347 735 Y C -1.474 174.590 175.900 0.273 0.000 0.981 735 Y CA -0.926 57.338 58.100 0.274 0.000 1.033 735 Y CB 1.828 40.406 38.460 0.197 0.000 1.245 735 Y HN 0.613 nan 8.280 nan 0.000 0.455 736 I N 5.495 125.783 120.570 -0.470 0.000 2.439 736 I HA 0.658 4.828 4.170 -0.000 0.000 0.285 736 I C 0.112 175.811 176.117 -0.697 0.000 1.021 736 I CA -0.258 60.788 61.300 -0.422 0.000 1.091 736 I CB 0.998 38.864 38.000 -0.222 0.000 1.242 736 I HN 0.816 nan 8.210 nan 0.000 0.439 737 G N 4.458 113.007 108.800 -0.418 0.000 2.667 737 G HA2 0.427 4.387 3.960 -0.000 0.000 0.250 737 G HA3 0.427 4.387 3.960 -0.000 0.000 0.250 737 G C 0.401 175.206 174.900 -0.159 0.000 1.212 737 G CA 0.003 44.993 45.100 -0.182 0.000 0.874 737 G HN 0.851 nan 8.290 nan 0.000 0.561 738 G N -1.513 107.269 108.800 -0.031 0.000 2.489 738 G HA2 0.494 4.454 3.960 -0.000 0.000 0.271 738 G HA3 0.494 4.454 3.960 -0.000 0.000 0.271 738 G C -0.224 174.630 174.900 -0.077 0.000 1.427 738 G CA -0.153 44.925 45.100 -0.036 0.000 1.057 738 G HN 0.757 nan 8.290 nan 0.000 0.532 739 Q N -1.310 118.452 119.800 -0.063 0.000 2.403 739 Q HA 0.172 4.511 4.340 -0.000 0.000 0.267 739 Q C -2.212 173.852 176.000 0.106 0.000 0.991 739 Q CA -0.663 55.121 55.803 -0.031 0.000 0.906 739 Q CB 2.267 30.753 28.738 -0.419 0.000 1.422 739 Q HN 0.627 nan 8.270 nan 0.000 0.400 740 D N 1.384 121.853 120.400 0.116 0.000 2.198 740 D HA 0.136 4.776 4.640 -0.000 0.000 0.245 740 D C 0.330 176.703 176.300 0.122 0.000 1.079 740 D CA -0.007 53.968 54.000 -0.042 0.000 0.854 740 D CB 0.902 41.450 40.800 -0.419 0.000 1.148 740 D HN 0.725 nan 8.370 nan 0.000 0.456 741 H N 3.224 122.232 119.070 -0.102 0.000 2.353 741 H HA -0.117 4.439 4.556 -0.000 0.000 0.298 741 H C 0.599 175.697 175.328 -0.383 0.000 1.103 741 H CA 1.063 56.763 56.048 -0.580 0.000 1.293 741 H CB -0.272 28.989 29.762 -0.835 0.000 1.372 741 H HN 0.522 nan 8.280 nan 0.000 0.501 742 F N 0.391 120.063 119.950 -0.463 0.000 3.004 742 F HA -0.275 4.252 4.527 -0.000 0.000 0.264 742 F C -0.782 174.909 175.800 -0.182 0.000 0.979 742 F CA -0.567 57.276 58.000 -0.262 0.000 0.896 742 F CB -1.635 37.372 39.000 0.011 0.000 0.813 742 F HN 0.122 nan 8.300 nan 0.000 0.804 743 Y N -0.175 120.224 120.300 0.164 0.000 2.497 743 Y HA 0.208 4.758 4.550 -0.000 0.000 0.334 743 Y C 1.117 177.030 175.900 0.021 0.000 1.199 743 Y CA -1.408 56.837 58.100 0.242 0.000 1.425 743 Y CB 0.067 38.579 38.460 0.086 0.000 1.291 743 Y HN 0.081 nan 8.280 nan 0.000 0.562 744 L N 1.004 122.386 121.223 0.265 0.000 2.131 744 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 744 L C 1.024 177.806 176.870 -0.147 0.000 1.092 744 L CA 1.520 56.473 54.840 0.188 0.000 0.759 744 L CB -0.596 41.689 42.059 0.378 0.000 0.903 744 L HN 0.865 nan 8.230 nan 0.000 0.435 745 E N 0.674 120.515 120.200 -0.598 0.000 2.146 745 E HA 0.169 4.519 4.350 -0.000 0.000 0.282 745 E C -0.051 176.268 176.600 -0.467 0.000 0.989 745 E CA -0.311 55.431 56.400 -1.097 0.000 0.799 745 E CB 1.066 29.869 29.700 -1.494 0.000 1.088 745 E HN 0.232 nan 8.360 nan 0.000 0.397 746 T N 1.481 115.871 114.554 -0.274 0.000 2.732 746 T HA 0.114 4.464 4.350 -0.000 0.000 0.287 746 T C 0.610 175.127 174.700 -0.304 0.000 0.993 746 T CA -0.576 61.437 62.100 -0.146 0.000 0.966 746 T CB 0.396 69.286 68.868 0.036 0.000 1.047 746 T HN 0.453 nan 8.240 nan 0.000 0.527 747 H N -0.876 118.060 119.070 -0.222 0.000 3.001 747 H HA 0.302 4.858 4.556 -0.000 0.000 0.334 747 H C 0.005 175.281 175.328 -0.087 0.000 1.034 747 H CA 0.186 56.120 56.048 -0.189 0.000 1.420 747 H CB 0.412 30.112 29.762 -0.103 0.000 1.405 747 H HN 0.703 nan 8.280 nan 0.000 0.593 748 C N 3.050 122.369 119.300 0.031 0.000 2.985 748 C HA 0.444 4.904 4.460 -0.000 0.000 0.332 748 C C -0.692 174.338 174.990 0.067 0.000 1.164 748 C CA -0.177 58.874 59.018 0.055 0.000 1.347 748 C CB 1.442 29.201 27.740 0.033 0.000 1.764 748 C HN 0.887 nan 8.230 nan 0.000 0.489 749 T N 5.296 119.902 114.554 0.087 0.000 2.993 749 T HA 0.576 4.926 4.350 -0.000 0.000 0.312 749 T C -1.247 173.518 174.700 0.108 0.000 1.115 749 T CA -0.210 61.946 62.100 0.094 0.000 1.027 749 T CB 1.140 70.053 68.868 0.076 0.000 1.116 749 T HN 0.583 nan 8.240 nan 0.000 0.464 750 I N 2.340 123.003 120.570 0.155 0.000 2.436 750 I HA 0.706 4.876 4.170 -0.000 0.000 0.289 750 I C -0.153 176.085 176.117 0.203 0.000 1.010 750 I CA -0.953 60.452 61.300 0.176 0.000 1.098 750 I CB 1.701 39.838 38.000 0.229 0.000 1.266 750 I HN 0.702 nan 8.210 nan 0.000 0.434 751 A N 7.808 130.711 122.820 0.138 0.000 2.318 751 A HA 0.777 5.097 4.320 -0.000 0.000 0.317 751 A C -0.787 176.863 177.584 0.110 0.000 1.159 751 A CA -0.456 51.644 52.037 0.106 0.000 0.799 751 A CB 0.847 19.887 19.000 0.066 0.000 1.194 751 A HN 0.519 nan 8.150 nan 0.000 0.479 752 I N 4.716 125.351 120.570 0.110 0.000 2.359 752 I HA 0.314 4.484 4.170 -0.000 0.000 0.284 752 I C -2.456 173.671 176.117 0.017 0.000 1.018 752 I CA -2.538 58.806 61.300 0.074 0.000 1.173 752 I CB 1.248 39.339 38.000 0.152 0.000 1.326 752 I HN 0.384 nan 8.210 nan 0.000 0.462 753 P HA 0.231 nan 4.420 nan 0.000 0.287 753 P C 0.102 177.380 177.300 -0.036 0.000 1.281 753 P CA -0.447 62.653 63.100 -0.001 0.000 0.781 753 P CB 1.596 33.302 31.700 0.010 0.000 0.903 754 K N 2.575 122.962 120.400 -0.022 0.000 2.167 754 K HA 0.061 4.381 4.320 -0.000 0.000 0.203 754 K C 1.578 178.156 176.600 -0.036 0.000 1.052 754 K CA 1.136 57.402 56.287 -0.035 0.000 0.956 754 K CB -0.834 31.655 32.500 -0.019 0.000 0.735 754 K HN 0.817 nan 8.250 nan 0.000 0.451 755 G N 1.401 110.189 108.800 -0.020 0.000 2.175 755 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.244 755 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.244 755 G C -0.271 174.623 174.900 -0.010 0.000 0.982 755 G CA 0.035 45.123 45.100 -0.022 0.000 0.641 755 G HN 0.356 nan 8.290 nan 0.000 0.527 756 E N 0.472 120.670 120.200 -0.004 0.000 2.176 756 E HA 0.464 4.814 4.350 -0.000 0.000 0.267 756 E C 0.243 176.848 176.600 0.008 0.000 0.893 756 E CA -0.822 55.578 56.400 -0.000 0.000 0.761 756 E CB 0.900 30.597 29.700 -0.005 0.000 1.133 756 E HN 0.167 nan 8.360 nan 0.000 0.409 757 E N 1.475 121.682 120.200 0.012 0.000 2.494 757 E HA -0.297 4.053 4.350 -0.000 0.000 0.249 757 E C 0.699 177.311 176.600 0.021 0.000 1.184 757 E CA 1.217 57.626 56.400 0.014 0.000 0.727 757 E CB -1.377 28.326 29.700 0.006 0.000 1.281 757 E HN 1.124 nan 8.360 nan 0.000 0.405 758 G N 0.012 108.835 108.800 0.038 0.000 2.162 758 G HA2 -0.372 3.587 3.960 -0.000 0.000 0.260 758 G HA3 -0.372 3.587 3.960 -0.000 0.000 0.260 758 G C 0.139 175.061 174.900 0.035 0.000 0.976 758 G CA 0.631 45.763 45.100 0.054 0.000 0.655 758 G HN 0.406 nan 8.290 nan 0.000 0.533 759 E N -0.336 119.876 120.200 0.020 0.000 2.413 759 E HA 0.453 4.803 4.350 -0.000 0.000 0.263 759 E C 0.352 176.957 176.600 0.008 0.000 1.015 759 E CA 0.460 56.864 56.400 0.006 0.000 0.916 759 E CB 0.506 30.205 29.700 -0.001 0.000 0.947 759 E HN 0.447 nan 8.360 nan 0.000 0.440 760 M N 2.643 122.241 119.600 -0.005 0.000 2.371 760 M HA 0.207 4.687 4.480 -0.000 0.000 0.287 760 M C -1.671 174.604 176.300 -0.041 0.000 1.149 760 M CA -0.398 54.897 55.300 -0.007 0.000 0.929 760 M CB 2.048 34.653 32.600 0.009 0.000 1.683 760 M HN 0.412 nan 8.290 nan 0.000 0.470 761 E N 4.045 124.213 120.200 -0.054 0.000 2.176 761 E HA 0.621 4.971 4.350 -0.000 0.000 0.267 761 E C -2.026 174.449 176.600 -0.209 0.000 0.893 761 E CA -0.637 55.673 56.400 -0.150 0.000 0.761 761 E CB 1.390 31.013 29.700 -0.128 0.000 1.133 761 E HN 0.580 nan 8.360 nan 0.000 0.409 762 L N 4.213 125.247 121.223 -0.316 0.000 2.362 762 L HA 0.501 4.841 4.340 -0.000 0.000 0.271 762 L C -1.047 175.545 176.870 -0.464 0.000 1.002 762 L CA -0.473 54.218 54.840 -0.248 0.000 0.818 762 L CB 1.236 43.240 42.059 -0.092 0.000 1.298 762 L HN 0.499 nan 8.230 nan 0.000 0.420 763 F N 2.222 122.182 119.950 0.017 0.000 2.402 763 F HA 0.726 5.253 4.527 -0.000 0.000 0.355 763 F C -0.113 175.690 175.800 0.006 0.000 1.123 763 F CA -0.863 57.143 58.000 0.010 0.000 1.021 763 F CB 1.608 40.619 39.000 0.018 0.000 1.160 763 F HN 0.031 nan 8.300 nan 0.000 0.451 764 V N 1.363 121.337 119.914 0.100 0.000 2.925 764 V HA 0.374 4.494 4.120 -0.000 0.000 0.311 764 V C -0.355 175.747 176.094 0.014 0.000 1.104 764 V CA -1.042 61.289 62.300 0.051 0.000 0.954 764 V CB 2.187 34.015 31.823 0.007 0.000 1.022 764 V HN 0.655 nan 8.190 nan 0.000 0.427 765 S N 2.481 118.170 115.700 -0.018 0.000 2.955 765 S HA 0.506 4.976 4.470 -0.000 0.000 0.294 765 S C -0.189 174.330 174.600 -0.135 0.000 1.198 765 S CA 0.006 58.150 58.200 -0.093 0.000 1.008 765 S CB -0.368 62.733 63.200 -0.165 0.000 1.279 765 S HN 0.993 nan 8.310 nan 0.000 0.508 766 T N 2.985 117.477 114.554 -0.105 0.000 2.894 766 T HA 0.355 4.705 4.350 -0.000 0.000 0.309 766 T C 0.105 174.749 174.700 -0.094 0.000 1.208 766 T CA -0.537 61.503 62.100 -0.100 0.000 1.016 766 T CB 1.645 70.478 68.868 -0.058 0.000 1.192 766 T HN 0.516 nan 8.240 nan 0.000 0.491 767 Q N 1.512 121.261 119.800 -0.084 0.000 2.319 767 Q HA 0.275 4.615 4.340 -0.000 0.000 0.202 767 Q C 0.115 176.094 176.000 -0.034 0.000 0.896 767 Q CA -0.048 55.719 55.803 -0.060 0.000 0.942 767 Q CB 0.344 29.056 28.738 -0.043 0.000 1.083 767 Q HN 0.308 nan 8.270 nan 0.000 0.510 768 N N 0.110 118.780 118.700 -0.050 0.000 2.790 768 N HA 0.283 5.023 4.740 -0.000 0.000 0.256 768 N C -0.226 175.230 175.510 -0.090 0.000 1.409 768 N CA -0.060 52.952 53.050 -0.063 0.000 0.799 768 N CB 1.025 39.464 38.487 -0.081 0.000 1.170 768 N HN 0.123 nan 8.380 nan 0.000 0.507 769 A N 2.611 125.387 122.820 -0.074 0.000 1.972 769 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 769 A C 2.128 179.658 177.584 -0.091 0.000 1.169 769 A CA 1.041 53.030 52.037 -0.081 0.000 0.635 769 A CB -0.275 18.681 19.000 -0.073 0.000 0.810 769 A HN 0.657 nan 8.150 nan 0.000 0.446 770 M N -0.926 118.624 119.600 -0.084 0.000 2.067 770 M HA -0.165 4.315 4.480 -0.000 0.000 0.260 770 M C 1.849 178.059 176.300 -0.151 0.000 1.069 770 M CA 1.839 57.087 55.300 -0.086 0.000 1.117 770 M CB -0.153 32.413 32.600 -0.056 0.000 1.334 770 M HN 0.141 nan 8.290 nan 0.000 0.407 771 K N -0.258 119.998 120.400 -0.241 0.000 2.097 771 K HA -0.058 4.262 4.320 -0.000 0.000 0.205 771 K C 1.889 178.183 176.600 -0.511 0.000 1.050 771 K CA 1.790 57.775 56.287 -0.503 0.000 0.938 771 K CB -0.819 31.289 32.500 -0.654 0.000 0.718 771 K HN 0.443 nan 8.250 nan 0.000 0.442 772 T N 1.663 116.050 114.554 -0.279 0.000 2.708 772 T HA -0.196 4.154 4.350 -0.000 0.000 0.266 772 T C 1.928 176.582 174.700 -0.076 0.000 1.037 772 T CA 1.498 63.509 62.100 -0.148 0.000 1.146 772 T CB -0.080 68.734 68.868 -0.090 0.000 0.865 772 T HN 0.366 nan 8.240 nan 0.000 0.435 773 Q N 0.910 120.660 119.800 -0.083 0.000 2.020 773 Q HA -0.162 4.177 4.340 -0.000 0.000 0.202 773 Q C 2.530 178.525 176.000 -0.008 0.000 0.982 773 Q CA 2.120 57.895 55.803 -0.046 0.000 0.838 773 Q CB -0.213 28.493 28.738 -0.053 0.000 0.899 773 Q HN 0.655 nan 8.270 nan 0.000 0.423 774 S N -0.410 115.285 115.700 -0.008 0.000 2.383 774 S HA -0.110 4.360 4.470 -0.000 0.000 0.227 774 S C 1.786 176.518 174.600 0.220 0.000 1.026 774 S CA 0.863 59.106 58.200 0.072 0.000 0.981 774 S CB -0.583 62.656 63.200 0.065 0.000 0.818 774 S HN 0.364 nan 8.310 nan 0.000 0.472 775 F N 1.946 121.868 119.950 -0.046 0.000 2.186 775 F HA 0.086 4.613 4.527 -0.000 0.000 0.299 775 F C 2.613 178.373 175.800 -0.067 0.000 1.090 775 F CA -0.373 57.595 58.000 -0.053 0.000 1.307 775 F CB -1.189 37.784 39.000 -0.045 0.000 1.019 775 F HN 0.095 nan 8.300 nan 0.000 0.489 776 V N -0.148 119.847 119.914 0.135 0.000 2.358 776 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 776 V C 2.621 178.710 176.094 -0.007 0.000 1.047 776 V CA 1.608 63.928 62.300 0.033 0.000 1.035 776 V CB -1.300 30.530 31.823 0.012 0.000 0.658 776 V HN 0.306 nan 8.190 nan 0.000 0.452 777 A N -0.294 122.529 122.820 0.006 0.000 1.902 777 A HA -0.273 4.047 4.320 -0.000 0.000 0.217 777 A C 2.338 179.901 177.584 -0.036 0.000 1.181 777 A CA 2.224 54.249 52.037 -0.019 0.000 0.623 777 A CB -0.478 18.519 19.000 -0.006 0.000 0.818 777 A HN 0.519 nan 8.150 nan 0.000 0.443 778 K N -1.062 119.328 120.400 -0.017 0.000 2.057 778 K HA -0.136 4.184 4.320 -0.000 0.000 0.207 778 K C 2.141 178.686 176.600 -0.092 0.000 1.049 778 K CA 1.582 57.839 56.287 -0.050 0.000 0.931 778 K CB -0.223 32.245 32.500 -0.053 0.000 0.714 778 K HN 0.443 nan 8.250 nan 0.000 0.440 779 M N 1.094 120.633 119.600 -0.103 0.000 2.175 779 M HA -0.125 4.355 4.480 -0.000 0.000 0.264 779 M C 1.652 177.848 176.300 -0.173 0.000 1.063 779 M CA 1.562 56.778 55.300 -0.140 0.000 1.119 779 M CB -0.335 32.177 32.600 -0.147 0.000 1.377 779 M HN 0.220 nan 8.290 nan 0.000 0.415 780 L N -0.302 120.814 121.223 -0.177 0.000 2.313 780 L HA 0.086 4.426 4.340 -0.000 0.000 0.214 780 L C 1.393 178.131 176.870 -0.219 0.000 1.119 780 L CA 0.654 55.333 54.840 -0.267 0.000 0.809 780 L CB -0.673 41.258 42.059 -0.213 0.000 0.933 780 L HN 0.617 nan 8.230 nan 0.000 0.449 781 G N 0.970 109.689 108.800 -0.136 0.000 2.182 781 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.248 781 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.248 781 G C 0.029 174.886 174.900 -0.072 0.000 1.042 781 G CA 0.221 45.263 45.100 -0.097 0.000 0.775 781 G HN 0.293 nan 8.290 nan 0.000 0.501 782 V N -3.723 116.152 119.914 -0.064 0.000 3.046 782 V HA 0.967 5.087 4.120 -0.000 0.000 0.316 782 V C -2.156 173.920 176.094 -0.030 0.000 1.104 782 V CA -2.877 59.399 62.300 -0.041 0.000 1.006 782 V CB 1.878 33.680 31.823 -0.034 0.000 1.058 782 V HN 0.044 nan 8.190 nan 0.000 0.440 783 P HA 0.253 nan 4.420 nan 0.000 0.269 783 P C 0.973 178.262 177.300 -0.018 0.000 1.215 783 P CA -0.125 62.963 63.100 -0.019 0.000 0.780 783 P CB 0.894 32.585 31.700 -0.016 0.000 0.898 784 V N 1.646 121.550 119.914 -0.016 0.000 2.469 784 V HA -0.247 3.873 4.120 -0.000 0.000 0.251 784 V C 1.864 177.948 176.094 -0.018 0.000 1.064 784 V CA 2.263 64.554 62.300 -0.015 0.000 1.066 784 V CB -1.361 30.454 31.823 -0.013 0.000 0.667 784 V HN 0.699 nan 8.190 nan 0.000 0.461 785 N N 0.494 119.184 118.700 -0.016 0.000 2.609 785 N HA -0.165 4.575 4.740 -0.000 0.000 0.190 785 N C 1.508 177.008 175.510 -0.016 0.000 1.157 785 N CA 0.849 53.889 53.050 -0.015 0.000 0.918 785 N CB -0.352 38.127 38.487 -0.013 0.000 0.978 785 N HN 0.306 nan 8.380 nan 0.000 0.448 786 R N -0.230 120.261 120.500 -0.016 0.000 2.265 786 R HA 0.257 4.597 4.340 -0.000 0.000 0.194 786 R C -0.034 176.254 176.300 -0.020 0.000 0.931 786 R CA -0.022 56.070 56.100 -0.014 0.000 1.032 786 R CB 0.331 30.625 30.300 -0.010 0.000 0.980 786 R HN 0.245 nan 8.270 nan 0.000 0.497 787 I N 1.917 122.471 120.570 -0.026 0.000 2.377 787 I HA 0.259 4.429 4.170 -0.000 0.000 0.293 787 I C -0.292 175.794 176.117 -0.051 0.000 0.987 787 I CA -1.551 59.728 61.300 -0.036 0.000 1.185 787 I CB 1.348 39.329 38.000 -0.031 0.000 1.341 787 I HN -0.163 nan 8.210 nan 0.000 0.455 788 L N 8.258 129.437 121.223 -0.074 0.000 2.325 788 L HA 0.614 4.954 4.340 -0.000 0.000 0.281 788 L C -0.873 175.906 176.870 -0.152 0.000 1.004 788 L CA -0.364 54.415 54.840 -0.101 0.000 0.823 788 L CB 1.704 43.700 42.059 -0.105 0.000 1.236 788 L HN 0.280 nan 8.230 nan 0.000 0.415 789 V N 5.870 125.700 119.914 -0.139 0.000 2.495 789 V HA 0.634 4.754 4.120 -0.000 0.000 0.298 789 V C -0.207 175.786 176.094 -0.170 0.000 1.031 789 V CA -0.617 61.586 62.300 -0.162 0.000 0.871 789 V CB 1.746 33.504 31.823 -0.109 0.000 0.988 789 V HN 0.726 nan 8.190 nan 0.000 0.432 790 R N 3.271 123.635 120.500 -0.226 0.000 2.534 790 R HA 0.781 5.121 4.340 -0.000 0.000 0.301 790 R C -1.603 174.663 176.300 -0.057 0.000 0.961 790 R CA -0.697 55.310 56.100 -0.155 0.000 0.871 790 R CB 2.478 32.649 30.300 -0.215 0.000 1.170 790 R HN 0.486 nan 8.270 nan 0.000 0.446 791 V N 3.753 123.649 119.914 -0.031 0.000 2.409 791 V HA 0.176 4.296 4.120 -0.000 0.000 0.290 791 V C 0.595 176.695 176.094 0.009 0.000 1.017 791 V CA -0.713 61.584 62.300 -0.005 0.000 0.841 791 V CB 1.456 33.256 31.823 -0.039 0.000 1.003 791 V HN 0.704 nan 8.190 nan 0.000 0.426 792 K N 4.170 124.591 120.400 0.035 0.000 2.005 792 K HA 0.169 4.489 4.320 -0.000 0.000 0.206 792 K C 0.722 177.325 176.600 0.006 0.000 1.044 792 K CA 1.242 57.537 56.287 0.015 0.000 0.942 792 K CB 0.351 32.855 32.500 0.007 0.000 0.727 792 K HN 0.858 nan 8.250 nan 0.000 0.439 793 R N -1.634 118.853 120.500 -0.021 0.000 2.728 793 R HA 0.398 4.738 4.340 -0.000 0.000 0.274 793 R C -1.199 175.103 176.300 0.004 0.000 1.032 793 R CA -0.671 55.411 56.100 -0.029 0.000 0.866 793 R CB 0.691 30.941 30.300 -0.083 0.000 1.263 793 R HN -0.133 nan 8.270 nan 0.000 0.475 794 M N 0.718 120.327 119.600 0.014 0.000 2.465 794 M HA 0.412 4.892 4.480 -0.000 0.000 0.316 794 M C 0.380 176.734 176.300 0.091 0.000 1.121 794 M CA -0.711 54.588 55.300 -0.001 0.000 0.934 794 M CB 2.499 35.010 32.600 -0.148 0.000 1.692 794 M HN 0.932 nan 8.290 nan 0.000 0.444 795 G N 1.714 110.530 108.800 0.026 0.000 3.541 795 G HA2 0.507 4.467 3.960 -0.000 0.000 0.253 795 G HA3 0.507 4.467 3.960 -0.000 0.000 0.253 795 G C 0.306 175.142 174.900 -0.108 0.000 1.017 795 G CA 0.216 45.282 45.100 -0.056 0.000 1.832 795 G HN 1.090 nan 8.290 nan 0.000 0.649 796 G N -1.319 107.410 108.800 -0.119 0.000 2.784 796 G HA2 0.377 4.337 3.960 -0.000 0.000 0.686 796 G HA3 0.377 4.337 3.960 -0.000 0.000 0.686 796 G C 0.480 175.175 174.900 -0.342 0.000 1.156 796 G CA -0.337 44.610 45.100 -0.256 0.000 0.757 796 G HN 1.177 nan 8.290 nan 0.000 0.642 797 G N -0.488 107.936 108.800 -0.626 0.000 2.645 797 G HA2 0.541 4.501 3.960 -0.000 0.000 0.208 797 G HA3 0.541 4.501 3.960 -0.000 0.000 0.208 797 G C 0.841 175.677 174.900 -0.106 0.000 1.264 797 G CA 0.845 45.747 45.100 -0.330 0.000 0.586 797 G HN 1.730 nan 8.290 nan 0.000 0.952 798 F N 1.024 120.983 119.950 0.014 0.000 3.100 798 F HA -0.187 4.340 4.527 -0.000 0.000 0.284 798 F C 1.963 177.772 175.800 0.016 0.000 0.875 798 F CA 0.958 58.961 58.000 0.004 0.000 1.039 798 F CB -1.510 37.440 39.000 -0.084 0.000 1.111 798 F HN 1.130 nan 8.300 nan 0.000 0.575 799 G N -1.123 107.743 108.800 0.109 0.000 2.258 799 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.233 799 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.233 799 G C 1.178 176.103 174.900 0.041 0.000 1.006 799 G CA 0.147 45.350 45.100 0.171 0.000 0.620 799 G HN 1.238 nan 8.290 nan 0.000 0.511 800 G N 0.034 108.616 108.800 -0.363 0.000 2.559 800 G HA2 0.179 4.139 3.960 -0.000 0.000 0.216 800 G HA3 0.179 4.139 3.960 -0.000 0.000 0.216 800 G C 1.157 175.975 174.900 -0.136 0.000 1.126 800 G CA 1.373 46.021 45.100 -0.754 0.000 0.778 800 G HN 0.533 nan 8.290 nan 0.000 0.543 801 K N -0.267 120.054 120.400 -0.131 0.000 2.537 801 K HA 0.192 4.512 4.320 -0.000 0.000 0.206 801 K C 1.310 177.899 176.600 -0.018 0.000 1.041 801 K CA -0.146 56.084 56.287 -0.094 0.000 1.090 801 K CB 0.742 33.059 32.500 -0.305 0.000 0.833 801 K HN 0.300 nan 8.250 nan 0.000 0.493 802 E N 0.750 120.975 120.200 0.041 0.000 2.158 802 E HA -0.124 4.226 4.350 -0.000 0.000 0.191 802 E C 1.196 177.837 176.600 0.069 0.000 0.982 802 E CA 1.768 58.212 56.400 0.074 0.000 0.823 802 E CB 0.464 30.257 29.700 0.155 0.000 0.766 802 E HN 0.312 nan 8.360 nan 0.000 0.468 803 T N -3.131 111.483 114.554 0.100 0.000 3.336 803 T HA 0.162 4.512 4.350 -0.000 0.000 0.273 803 T C 1.508 176.272 174.700 0.106 0.000 0.932 803 T CA -0.574 61.578 62.100 0.087 0.000 0.995 803 T CB -0.218 68.740 68.868 0.150 0.000 1.213 803 T HN -0.097 nan 8.240 nan 0.000 0.502 804 R N 2.855 123.432 120.500 0.128 0.000 2.341 804 R HA 0.109 4.449 4.340 -0.000 0.000 0.213 804 R C 2.501 178.791 176.300 -0.016 0.000 1.082 804 R CA 1.185 57.331 56.100 0.075 0.000 1.017 804 R CB -1.245 29.100 30.300 0.075 0.000 0.860 804 R HN 0.765 nan 8.270 nan 0.000 0.473 805 S N -0.021 115.742 115.700 0.105 0.000 2.447 805 S HA -0.128 4.342 4.470 -0.000 0.000 0.233 805 S C 1.898 176.531 174.600 0.055 0.000 1.006 805 S CA 1.328 59.617 58.200 0.149 0.000 0.957 805 S CB -0.523 62.782 63.200 0.174 0.000 0.773 805 S HN 0.460 nan 8.310 nan 0.000 0.507 806 T N 0.990 115.580 114.554 0.060 0.000 2.962 806 T HA 0.117 4.467 4.350 -0.000 0.000 0.270 806 T C 1.739 176.483 174.700 0.073 0.000 1.088 806 T CA 0.766 62.924 62.100 0.097 0.000 1.127 806 T CB -0.829 68.186 68.868 0.245 0.000 0.883 806 T HN 0.400 nan 8.240 nan 0.000 0.493 807 L N 0.529 121.773 121.223 0.034 0.000 2.043 807 L HA -0.087 4.253 4.340 -0.000 0.000 0.212 807 L C 2.888 179.760 176.870 0.004 0.000 1.075 807 L CA 1.181 56.027 54.840 0.010 0.000 0.752 807 L CB -0.708 41.343 42.059 -0.013 0.000 0.891 807 L HN 0.215 nan 8.230 nan 0.000 0.432 808 V N -1.430 118.483 119.914 -0.001 0.000 2.379 808 V HA -0.166 3.954 4.120 -0.000 0.000 0.243 808 V C 2.520 178.638 176.094 0.039 0.000 1.035 808 V CA 1.586 63.905 62.300 0.033 0.000 1.035 808 V CB 0.066 31.917 31.823 0.045 0.000 0.673 808 V HN 0.324 nan 8.190 nan 0.000 0.457 809 S N 0.388 116.111 115.700 0.039 0.000 2.365 809 S HA -0.205 4.265 4.470 -0.000 0.000 0.225 809 S C 2.005 176.616 174.600 0.019 0.000 1.039 809 S CA 1.764 59.985 58.200 0.036 0.000 1.033 809 S CB -0.323 62.897 63.200 0.034 0.000 0.887 809 S HN 0.381 nan 8.310 nan 0.000 0.447 810 V N 1.716 121.631 119.914 0.002 0.000 2.427 810 V HA -0.141 3.979 4.120 -0.000 0.000 0.248 810 V C 2.558 178.590 176.094 -0.102 0.000 1.051 810 V CA 1.516 63.787 62.300 -0.049 0.000 1.048 810 V CB -1.188 30.590 31.823 -0.075 0.000 0.666 810 V HN 0.538 nan 8.190 nan 0.000 0.456 811 A N -0.082 122.684 122.820 -0.091 0.000 1.898 811 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 811 A C 2.373 179.993 177.584 0.061 0.000 1.181 811 A CA 1.910 53.922 52.037 -0.041 0.000 0.620 811 A CB -0.617 18.441 19.000 0.096 0.000 0.819 811 A HN 0.327 nan 8.150 nan 0.000 0.442 812 V N -0.062 119.886 119.914 0.057 0.000 2.427 812 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 812 V C 3.028 179.156 176.094 0.057 0.000 1.051 812 V CA 1.806 64.145 62.300 0.065 0.000 1.048 812 V CB -1.201 30.660 31.823 0.063 0.000 0.666 812 V HN 0.607 nan 8.190 nan 0.000 0.456 813 A N -0.004 122.840 122.820 0.039 0.000 1.902 813 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 813 A C 2.168 179.796 177.584 0.073 0.000 1.181 813 A CA 2.072 54.135 52.037 0.042 0.000 0.623 813 A CB -0.577 18.430 19.000 0.012 0.000 0.818 813 A HN 0.459 nan 8.150 nan 0.000 0.443 814 L N -0.170 121.085 121.223 0.053 0.000 2.046 814 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 814 L C 2.637 179.608 176.870 0.168 0.000 1.077 814 L CA 2.242 57.148 54.840 0.109 0.000 0.747 814 L CB -0.766 41.336 42.059 0.071 0.000 0.896 814 L HN 0.340 nan 8.230 nan 0.000 0.432 815 A N -0.510 122.379 122.820 0.114 0.000 1.902 815 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 815 A C 2.445 180.061 177.584 0.052 0.000 1.181 815 A CA 1.844 53.924 52.037 0.071 0.000 0.623 815 A CB -1.151 17.880 19.000 0.051 0.000 0.818 815 A HN 0.589 nan 8.150 nan 0.000 0.443 816 A N -1.436 121.427 122.820 0.072 0.000 1.898 816 A HA -0.052 4.268 4.320 -0.000 0.000 0.216 816 A C 2.134 179.760 177.584 0.070 0.000 1.181 816 A CA 1.599 53.673 52.037 0.063 0.000 0.620 816 A CB -0.805 18.234 19.000 0.066 0.000 0.819 816 A HN 0.785 nan 8.150 nan 0.000 0.442 817 Y N 0.590 120.893 120.300 0.004 0.000 2.145 817 Y HA -0.201 4.349 4.550 -0.000 0.000 0.286 817 Y C 2.256 178.158 175.900 0.003 0.000 1.145 817 Y CA 2.472 60.573 58.100 0.001 0.000 1.148 817 Y CB -0.292 38.167 38.460 -0.002 0.000 0.981 817 Y HN 0.195 nan 8.280 nan 0.000 0.507 818 K N -0.116 120.207 120.400 -0.128 0.000 2.057 818 K HA -0.101 4.219 4.320 -0.000 0.000 0.206 818 K C 2.223 178.710 176.600 -0.189 0.000 1.050 818 K CA 2.100 58.260 56.287 -0.212 0.000 0.935 818 K CB -0.688 31.810 32.500 -0.003 0.000 0.715 818 K HN 0.593 nan 8.250 nan 0.000 0.439 819 T N -4.312 110.172 114.554 -0.117 0.000 3.035 819 T HA 0.155 4.505 4.350 -0.000 0.000 0.259 819 T C 1.510 176.210 174.700 -0.000 0.000 1.078 819 T CA 0.720 62.750 62.100 -0.116 0.000 1.132 819 T CB -0.028 68.730 68.868 -0.183 0.000 0.900 819 T HN 0.298 nan 8.240 nan 0.000 0.480 820 G N 1.048 109.848 108.800 0.001 0.000 2.159 820 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.256 820 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.256 820 G C -0.007 174.962 174.900 0.115 0.000 0.977 820 G CA 0.304 45.424 45.100 0.034 0.000 0.652 820 G HN 0.781 nan 8.290 nan 0.000 0.531 821 H N 0.768 119.791 119.070 -0.079 0.000 2.616 821 H HA 0.392 4.948 4.556 -0.000 0.000 0.353 821 H C -2.314 172.970 175.328 -0.073 0.000 1.170 821 H CA -1.919 54.081 56.048 -0.080 0.000 1.212 821 H CB 2.356 32.079 29.762 -0.065 0.000 1.653 821 H HN 0.102 nan 8.280 nan 0.000 0.537 822 P HA 0.056 nan 4.420 nan 0.000 0.271 822 P C -0.667 176.643 177.300 0.017 0.000 1.218 822 P CA -0.108 63.004 63.100 0.019 0.000 0.780 822 P CB 1.322 33.036 31.700 0.023 0.000 0.901 823 V N 2.805 122.720 119.914 0.003 0.000 3.049 823 V HA 0.625 4.745 4.120 -0.000 0.000 0.309 823 V C 0.166 176.229 176.094 -0.052 0.000 1.148 823 V CA -0.735 61.529 62.300 -0.060 0.000 0.990 823 V CB 2.481 34.294 31.823 -0.016 0.000 1.039 823 V HN 0.736 nan 8.190 nan 0.000 0.430 824 R N 1.366 121.793 120.500 -0.122 0.000 2.799 824 R HA 0.929 5.269 4.340 -0.000 0.000 0.270 824 R C -1.586 174.744 176.300 0.051 0.000 1.010 824 R CA -0.645 55.436 56.100 -0.031 0.000 0.916 824 R CB 1.828 32.096 30.300 -0.053 0.000 1.228 824 R HN 0.772 nan 8.270 nan 0.000 0.469 825 C N 2.650 122.013 119.300 0.105 0.000 2.832 825 C HA 0.578 5.038 4.460 -0.000 0.000 0.383 825 C C -1.199 173.870 174.990 0.133 0.000 1.046 825 C CA -0.541 58.563 59.018 0.145 0.000 1.242 825 C CB 1.266 29.084 27.740 0.128 0.000 1.693 825 C HN 0.987 nan 8.230 nan 0.000 0.497 826 M N 6.863 126.550 119.600 0.146 0.000 2.253 826 M HA 0.588 5.068 4.480 -0.000 0.000 0.314 826 M C -1.249 175.121 176.300 0.116 0.000 1.019 826 M CA -0.565 54.806 55.300 0.118 0.000 0.932 826 M CB 1.198 33.870 32.600 0.119 0.000 1.606 826 M HN 0.708 nan 8.290 nan 0.000 0.430 827 L N 3.842 125.132 121.223 0.112 0.000 2.426 827 L HA 0.235 4.575 4.340 -0.000 0.000 0.271 827 L C 0.108 177.041 176.870 0.105 0.000 1.169 827 L CA -0.454 54.455 54.840 0.115 0.000 0.836 827 L CB 0.349 42.488 42.059 0.135 0.000 1.112 827 L HN 0.651 nan 8.230 nan 0.000 0.465 828 D N 1.017 121.477 120.400 0.100 0.000 2.358 828 D HA 0.061 4.701 4.640 -0.000 0.000 0.244 828 D C 0.926 177.297 176.300 0.118 0.000 1.163 828 D CA -0.329 53.731 54.000 0.100 0.000 0.945 828 D CB 1.043 41.886 40.800 0.072 0.000 1.152 828 D HN 0.337 nan 8.370 nan 0.000 0.451 829 R N 1.478 122.056 120.500 0.130 0.000 2.096 829 R HA -0.198 4.142 4.340 -0.000 0.000 0.240 829 R C 1.749 178.126 176.300 0.129 0.000 1.139 829 R CA 1.907 58.065 56.100 0.097 0.000 0.952 829 R CB -0.293 30.082 30.300 0.126 0.000 0.854 829 R HN 0.561 nan 8.270 nan 0.000 0.436 830 N N 0.330 119.153 118.700 0.205 0.000 2.166 830 N HA -0.205 4.535 4.740 -0.000 0.000 0.186 830 N C 1.196 176.794 175.510 0.147 0.000 1.019 830 N CA 1.854 55.023 53.050 0.198 0.000 0.856 830 N CB -0.376 38.288 38.487 0.295 0.000 0.993 830 N HN 0.479 nan 8.380 nan 0.000 0.426 831 E N 0.476 120.759 120.200 0.138 0.000 2.047 831 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 831 E C 1.511 178.184 176.600 0.122 0.000 0.987 831 E CA 0.869 57.344 56.400 0.125 0.000 0.799 831 E CB -0.107 29.665 29.700 0.120 0.000 0.752 831 E HN 0.405 nan 8.360 nan 0.000 0.449 832 D N 0.750 121.229 120.400 0.133 0.000 2.104 832 D HA -0.174 4.466 4.640 -0.000 0.000 0.194 832 D C 2.012 178.400 176.300 0.146 0.000 0.994 832 D CA 1.212 55.316 54.000 0.173 0.000 0.830 832 D CB 0.057 40.990 40.800 0.222 0.000 0.959 832 D HN 0.152 nan 8.370 nan 0.000 0.452 833 M N -0.131 119.522 119.600 0.089 0.000 2.213 833 M HA -0.153 4.327 4.480 -0.000 0.000 0.263 833 M C 2.311 178.643 176.300 0.055 0.000 1.062 833 M CA 0.690 56.013 55.300 0.038 0.000 1.105 833 M CB -0.082 32.510 32.600 -0.015 0.000 1.385 833 M HN 0.070 nan 8.290 nan 0.000 0.417 834 L N 0.517 121.787 121.223 0.078 0.000 2.068 834 L HA -0.030 4.310 4.340 -0.000 0.000 0.204 834 L C 1.965 178.899 176.870 0.107 0.000 1.076 834 L CA 1.758 56.651 54.840 0.089 0.000 0.753 834 L CB -0.189 41.929 42.059 0.098 0.000 0.910 834 L HN 0.177 nan 8.230 nan 0.000 0.439 835 I N -1.073 119.560 120.570 0.105 0.000 2.429 835 I HA -0.120 4.050 4.170 -0.000 0.000 0.247 835 I C 2.141 178.304 176.117 0.078 0.000 1.099 835 I CA 1.216 62.573 61.300 0.095 0.000 1.422 835 I CB -0.771 37.282 38.000 0.089 0.000 1.112 835 I HN 0.348 nan 8.210 nan 0.000 0.430 836 T N -0.808 113.793 114.554 0.078 0.000 3.113 836 T HA 0.283 4.633 4.350 -0.000 0.000 0.263 836 T C 1.050 175.848 174.700 0.163 0.000 1.143 836 T CA 0.392 62.532 62.100 0.067 0.000 1.090 836 T CB -0.658 68.236 68.868 0.043 0.000 0.922 836 T HN 0.601 nan 8.240 nan 0.000 0.521 837 G N -0.845 108.056 108.800 0.168 0.000 2.758 837 G HA2 0.374 4.334 3.960 -0.000 0.000 0.686 837 G HA3 0.374 4.334 3.960 -0.000 0.000 0.686 837 G C -0.121 174.941 174.900 0.270 0.000 1.389 837 G CA -0.592 44.616 45.100 0.180 0.000 0.845 837 G HN 1.150 nan 8.290 nan 0.000 0.572 838 G N -0.591 108.316 108.800 0.178 0.000 3.058 838 G HA2 0.780 4.740 3.960 -0.000 0.000 0.282 838 G HA3 0.780 4.740 3.960 -0.000 0.000 0.282 838 G C -0.028 174.963 174.900 0.152 0.000 1.248 838 G CA 0.042 45.206 45.100 0.108 0.000 0.822 838 G HN 0.890 nan 8.290 nan 0.000 0.579 839 R N -0.275 120.323 120.500 0.165 0.000 2.641 839 R HA 0.234 4.574 4.340 -0.000 0.000 0.269 839 R C -0.646 175.711 176.300 0.095 0.000 1.074 839 R CA -0.312 55.873 56.100 0.143 0.000 1.133 839 R CB 0.052 30.242 30.300 -0.185 0.000 1.029 839 R HN 0.575 nan 8.270 nan 0.000 0.488 840 H N 4.021 123.157 119.070 0.111 0.000 2.819 840 H HA 0.187 4.743 4.556 -0.000 0.000 0.303 840 H C -2.033 173.422 175.328 0.212 0.000 1.058 840 H CA -1.315 54.835 56.048 0.171 0.000 1.471 840 H CB 0.794 30.718 29.762 0.269 0.000 1.480 840 H HN 0.430 nan 8.280 nan 0.000 0.517 841 P HA 0.097 nan 4.420 nan 0.000 0.275 841 P C -0.814 176.624 177.300 0.230 0.000 1.228 841 P CA 0.133 63.285 63.100 0.087 0.000 0.786 841 P CB 0.650 32.396 31.700 0.076 0.000 0.927 842 F N 1.819 121.682 119.950 -0.145 0.000 2.551 842 F HA 0.514 5.041 4.527 -0.000 0.000 0.316 842 F C -0.342 175.509 175.800 0.085 0.000 1.089 842 F CA -1.012 57.014 58.000 0.044 0.000 0.915 842 F CB 1.681 40.740 39.000 0.099 0.000 1.186 842 F HN 0.082 nan 8.300 nan 0.000 0.456 843 L N 3.661 125.107 121.223 0.373 0.000 2.362 843 L HA 0.914 5.254 4.340 -0.000 0.000 0.275 843 L C -1.200 175.933 176.870 0.438 0.000 0.998 843 L CA -0.370 54.733 54.840 0.437 0.000 0.820 843 L CB 1.524 43.809 42.059 0.376 0.000 1.270 843 L HN 0.608 nan 8.230 nan 0.000 0.415 844 A N 4.987 128.044 122.820 0.395 0.000 2.414 844 A HA 0.882 5.202 4.320 -0.000 0.000 0.306 844 A C -0.936 176.845 177.584 0.328 0.000 1.054 844 A CA -0.728 51.507 52.037 0.330 0.000 0.724 844 A CB 1.285 20.444 19.000 0.264 0.000 1.267 844 A HN 0.717 nan 8.150 nan 0.000 0.418 845 R N 1.235 121.894 120.500 0.265 0.000 2.409 845 R HA 0.555 4.895 4.340 -0.000 0.000 0.313 845 R C -1.471 174.921 176.300 0.154 0.000 0.953 845 R CA -0.360 55.836 56.100 0.160 0.000 0.849 845 R CB 1.472 31.853 30.300 0.134 0.000 1.171 845 R HN 0.811 nan 8.270 nan 0.000 0.458 846 Y N -0.484 119.852 120.300 0.059 0.000 2.633 846 Y HA 0.692 5.242 4.550 -0.000 0.000 0.339 846 Y C -0.893 175.019 175.900 0.020 0.000 1.045 846 Y CA -1.369 56.749 58.100 0.031 0.000 1.098 846 Y CB 1.883 40.379 38.460 0.059 0.000 1.296 846 Y HN 0.264 nan 8.280 nan 0.000 0.494 847 K N 2.111 122.590 120.400 0.131 0.000 2.619 847 K HA 0.596 4.916 4.320 -0.000 0.000 0.251 847 K C -2.611 174.121 176.600 0.220 0.000 0.987 847 K CA -0.699 55.635 56.287 0.078 0.000 0.844 847 K CB 2.485 34.952 32.500 -0.054 0.000 1.237 847 K HN 0.815 nan 8.250 nan 0.000 0.447 848 V N 3.099 123.148 119.914 0.226 0.000 2.588 848 V HA 0.808 4.928 4.120 -0.000 0.000 0.304 848 V C -0.513 175.799 176.094 0.364 0.000 1.042 848 V CA -0.219 62.162 62.300 0.135 0.000 0.877 848 V CB 1.660 33.350 31.823 -0.221 0.000 0.996 848 V HN 0.842 nan 8.190 nan 0.000 0.425 849 G N 5.830 114.779 108.800 0.249 0.000 2.379 849 G HA2 0.763 4.723 3.960 -0.000 0.000 0.327 849 G HA3 0.763 4.723 3.960 -0.000 0.000 0.327 849 G C -1.187 173.798 174.900 0.141 0.000 1.145 849 G CA -0.525 44.670 45.100 0.158 0.000 0.905 849 G HN 1.035 nan 8.290 nan 0.000 0.466 850 F N 0.230 120.162 119.950 -0.030 0.000 2.685 850 F HA 0.761 5.288 4.527 -0.000 0.000 0.315 850 F C -0.550 175.237 175.800 -0.021 0.000 1.126 850 F CA -1.844 56.128 58.000 -0.047 0.000 0.950 850 F CB 1.339 40.318 39.000 -0.036 0.000 1.360 850 F HN 0.228 nan 8.300 nan 0.000 0.469 851 M N 1.228 120.913 119.600 0.142 0.000 2.494 851 M HA 0.378 4.858 4.480 -0.000 0.000 0.300 851 M C 0.931 177.311 176.300 0.133 0.000 1.189 851 M CA -0.594 54.739 55.300 0.055 0.000 0.982 851 M CB 1.333 33.957 32.600 0.039 0.000 1.534 851 M HN 0.807 nan 8.290 nan 0.000 0.488 852 K N 0.213 120.654 120.400 0.069 0.000 2.281 852 K HA -0.130 4.190 4.320 -0.000 0.000 0.203 852 K C 1.503 178.171 176.600 0.112 0.000 1.046 852 K CA 1.819 58.162 56.287 0.093 0.000 0.938 852 K CB -0.326 32.204 32.500 0.049 0.000 0.737 852 K HN 0.864 nan 8.250 nan 0.000 0.458 853 T N -3.297 111.314 114.554 0.094 0.000 3.085 853 T HA 0.098 4.448 4.350 -0.000 0.000 0.263 853 T C 1.437 176.188 174.700 0.086 0.000 1.127 853 T CA 0.728 62.875 62.100 0.079 0.000 1.103 853 T CB 0.301 69.201 68.868 0.054 0.000 0.921 853 T HN 0.342 nan 8.240 nan 0.000 0.510 854 G N 0.654 109.533 108.800 0.131 0.000 2.179 854 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.220 854 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.220 854 G C 0.159 175.084 174.900 0.041 0.000 0.990 854 G CA -0.067 45.082 45.100 0.082 0.000 0.646 854 G HN 0.662 nan 8.290 nan 0.000 0.517 855 T N 1.797 116.388 114.554 0.062 0.000 2.814 855 T HA 0.516 4.866 4.350 -0.000 0.000 0.297 855 T C 0.592 175.321 174.700 0.049 0.000 0.956 855 T CA 0.139 62.248 62.100 0.015 0.000 1.123 855 T CB 1.237 70.104 68.868 -0.001 0.000 0.902 855 T HN 0.250 nan 8.240 nan 0.000 0.528 856 I N 3.888 124.453 120.570 -0.008 0.000 2.441 856 I HA 0.109 4.279 4.170 -0.000 0.000 0.287 856 I C 1.055 177.126 176.117 -0.077 0.000 1.049 856 I CA 0.312 61.599 61.300 -0.022 0.000 1.381 856 I CB 1.332 39.270 38.000 -0.102 0.000 1.409 856 I HN 0.450 nan 8.210 nan 0.000 0.523 857 V N 4.720 124.573 119.914 -0.102 0.000 3.562 857 V HA 0.558 4.677 4.120 -0.000 0.000 0.270 857 V C 0.384 176.307 176.094 -0.285 0.000 1.418 857 V CA 0.429 62.634 62.300 -0.158 0.000 1.033 857 V CB 0.113 31.861 31.823 -0.124 0.000 0.820 857 V HN 0.813 nan 8.190 nan 0.000 0.441 858 A N 0.708 123.288 122.820 -0.400 0.000 2.589 858 A HA 0.842 5.162 4.320 -0.000 0.000 0.296 858 A C -2.047 175.187 177.584 -0.583 0.000 1.062 858 A CA -0.368 51.251 52.037 -0.697 0.000 0.686 858 A CB 2.372 20.462 19.000 -1.517 0.000 1.282 858 A HN 0.233 nan 8.150 nan 0.000 0.404 859 L N 0.762 121.719 121.223 -0.443 0.000 2.543 859 L HA 0.683 5.023 4.340 -0.000 0.000 0.265 859 L C -1.256 175.578 176.870 -0.059 0.000 0.945 859 L CA 0.109 54.789 54.840 -0.266 0.000 0.869 859 L CB 2.014 43.828 42.059 -0.407 0.000 1.294 859 L HN 0.775 nan 8.230 nan 0.000 0.405 860 E N 4.516 124.769 120.200 0.087 0.000 2.224 860 E HA 0.719 5.069 4.350 -0.000 0.000 0.265 860 E C -1.534 175.127 176.600 0.101 0.000 0.878 860 E CA -0.846 55.631 56.400 0.128 0.000 0.759 860 E CB 2.856 32.679 29.700 0.205 0.000 1.164 860 E HN 0.364 nan 8.360 nan 0.000 0.414 861 V N 2.705 122.671 119.914 0.088 0.000 2.569 861 V HA 0.244 4.364 4.120 -0.000 0.000 0.301 861 V C -1.069 175.012 176.094 -0.023 0.000 1.044 861 V CA -1.003 61.319 62.300 0.037 0.000 0.874 861 V CB 2.070 33.889 31.823 -0.006 0.000 1.002 861 V HN 0.642 nan 8.190 nan 0.000 0.424 862 D N 2.822 123.200 120.400 -0.035 0.000 2.349 862 D HA 0.459 5.099 4.640 -0.000 0.000 0.232 862 D C -0.516 175.703 176.300 -0.135 0.000 1.071 862 D CA -0.266 53.702 54.000 -0.054 0.000 0.832 862 D CB 1.296 42.123 40.800 0.045 0.000 1.086 862 D HN 0.597 nan 8.370 nan 0.000 0.504 863 H N 1.128 120.116 119.070 -0.137 0.000 2.472 863 H HA 0.431 4.987 4.556 -0.000 0.000 0.335 863 H C -0.727 174.317 175.328 -0.472 0.000 1.136 863 H CA -0.241 55.769 56.048 -0.064 0.000 1.264 863 H CB 0.847 30.684 29.762 0.126 0.000 1.486 863 H HN 0.304 nan 8.280 nan 0.000 0.517 864 Y N 0.261 120.554 120.300 -0.011 0.000 2.386 864 Y HA 0.362 4.912 4.550 -0.000 0.000 0.334 864 Y C -0.371 175.307 175.900 -0.371 0.000 1.002 864 Y CA -0.902 57.128 58.100 -0.117 0.000 1.068 864 Y CB 1.934 40.411 38.460 0.028 0.000 1.203 864 Y HN 0.693 nan 8.280 nan 0.000 0.443 865 S N 1.848 117.353 115.700 -0.325 0.000 2.537 865 S HA 0.441 4.911 4.470 -0.000 0.000 0.301 865 S C -0.849 173.750 174.600 -0.002 0.000 1.092 865 S CA -0.972 56.975 58.200 -0.423 0.000 1.048 865 S CB 1.731 64.568 63.200 -0.605 0.000 1.053 865 S HN 0.634 nan 8.310 nan 0.000 0.501 866 N N 1.416 120.157 118.700 0.069 0.000 2.469 866 N HA 0.353 5.093 4.740 -0.000 0.000 0.239 866 N C 0.721 176.284 175.510 0.087 0.000 1.053 866 N CA -0.195 52.900 53.050 0.074 0.000 0.937 866 N CB 1.239 39.751 38.487 0.041 0.000 1.163 866 N HN 0.795 nan 8.380 nan 0.000 0.509 867 A N 2.569 125.488 122.820 0.165 0.000 2.072 867 A HA 0.376 4.696 4.320 -0.000 0.000 0.216 867 A C 1.157 178.818 177.584 0.128 0.000 1.156 867 A CA 0.992 53.165 52.037 0.227 0.000 0.701 867 A CB -0.580 18.677 19.000 0.427 0.000 0.816 867 A HN 0.897 nan 8.150 nan 0.000 0.458 868 G N 0.327 109.186 108.800 0.098 0.000 2.587 868 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.212 868 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.212 868 G C 0.120 175.102 174.900 0.135 0.000 1.327 868 G CA 0.192 45.325 45.100 0.055 0.000 0.898 868 G HN 1.013 nan 8.290 nan 0.000 0.551 869 N N 0.230 118.966 118.700 0.061 0.000 2.434 869 N HA 0.290 5.030 4.740 -0.000 0.000 0.196 869 N C 0.604 176.174 175.510 0.100 0.000 1.183 869 N CA 1.298 54.383 53.050 0.059 0.000 0.849 869 N CB -0.011 38.425 38.487 -0.084 0.000 0.992 869 N HN 1.811 nan 8.380 nan 0.000 0.460 870 S N -1.635 114.109 115.700 0.073 0.000 2.588 870 S HA 0.477 4.947 4.470 -0.000 0.000 0.269 870 S C 0.373 174.719 174.600 -0.424 0.000 1.157 870 S CA -0.959 57.166 58.200 -0.126 0.000 0.824 870 S CB 1.766 64.934 63.200 -0.052 0.000 1.126 870 S HN 0.001 nan 8.310 nan 0.000 0.464 871 R N 0.645 120.776 120.500 -0.615 0.000 2.057 871 R HA 0.110 4.450 4.340 -0.000 0.000 0.229 871 R C 0.870 177.062 176.300 -0.180 0.000 1.136 871 R CA 1.384 57.082 56.100 -0.670 0.000 0.952 871 R CB -0.793 28.986 30.300 -0.868 0.000 0.848 871 R HN 0.897 nan 8.270 nan 0.000 0.430 872 D N -0.803 119.633 120.400 0.060 0.000 3.574 872 D HA -0.291 4.348 4.640 -0.000 0.000 0.153 872 D C 0.228 176.722 176.300 0.322 0.000 0.965 872 D CA 2.112 56.259 54.000 0.245 0.000 1.047 872 D CB -0.808 40.107 40.800 0.191 0.000 0.492 872 D HN 0.098 nan 8.370 nan 0.000 0.492 873 L N 0.283 121.683 121.223 0.294 0.000 2.653 873 L HA 0.241 4.581 4.340 -0.000 0.000 0.231 873 L C 2.055 178.991 176.870 0.110 0.000 1.153 873 L CA 0.208 55.234 54.840 0.310 0.000 0.933 873 L CB -0.023 42.281 42.059 0.408 0.000 1.175 873 L HN 0.161 nan 8.230 nan 0.000 0.473 874 S N -0.488 115.256 115.700 0.074 0.000 2.387 874 S HA -0.271 4.199 4.470 -0.000 0.000 0.230 874 S C 1.872 176.400 174.600 -0.119 0.000 1.035 874 S CA 1.638 59.797 58.200 -0.069 0.000 1.014 874 S CB -0.250 63.027 63.200 0.128 0.000 0.836 874 S HN 0.576 nan 8.310 nan 0.000 0.466 875 H N 1.178 120.185 119.070 -0.105 0.000 2.333 875 H HA 0.070 4.626 4.556 -0.000 0.000 0.302 875 H C 2.235 177.550 175.328 -0.023 0.000 1.075 875 H CA 1.764 57.757 56.048 -0.091 0.000 1.348 875 H CB -0.249 29.454 29.762 -0.098 0.000 1.393 875 H HN 0.237 nan 8.280 nan 0.000 0.509 876 S N -0.146 115.666 115.700 0.186 0.000 2.382 876 S HA -0.122 4.348 4.470 -0.000 0.000 0.228 876 S C 2.233 176.943 174.600 0.183 0.000 1.027 876 S CA 1.321 59.701 58.200 0.300 0.000 0.991 876 S CB -0.195 63.349 63.200 0.573 0.000 0.823 876 S HN 0.375 nan 8.310 nan 0.000 0.469 877 I N 0.813 121.239 120.570 -0.242 0.000 2.226 877 I HA -0.198 3.972 4.170 -0.000 0.000 0.245 877 I C 2.458 178.455 176.117 -0.199 0.000 1.100 877 I CA 1.126 62.090 61.300 -0.559 0.000 1.374 877 I CB -0.244 37.234 38.000 -0.870 0.000 1.057 877 I HN 0.299 nan 8.210 nan 0.000 0.413 878 M N 0.892 120.364 119.600 -0.214 0.000 2.229 878 M HA -0.172 4.308 4.480 -0.000 0.000 0.264 878 M C 1.985 178.168 176.300 -0.194 0.000 1.063 878 M CA 1.778 56.980 55.300 -0.164 0.000 1.114 878 M CB -0.475 31.952 32.600 -0.289 0.000 1.387 878 M HN 0.124 nan 8.290 nan 0.000 0.420 879 E N -0.711 119.359 120.200 -0.218 0.000 2.077 879 E HA -0.236 4.114 4.350 -0.000 0.000 0.193 879 E C 2.192 178.767 176.600 -0.042 0.000 0.989 879 E CA 1.287 57.581 56.400 -0.177 0.000 0.800 879 E CB -0.348 29.345 29.700 -0.012 0.000 0.746 879 E HN 0.538 nan 8.360 nan 0.000 0.452 880 R N 0.814 121.455 120.500 0.235 0.000 2.115 880 R HA -0.104 4.236 4.340 -0.000 0.000 0.230 880 R C 2.233 178.721 176.300 0.313 0.000 1.111 880 R CA 1.128 57.497 56.100 0.448 0.000 0.976 880 R CB -0.131 30.426 30.300 0.428 0.000 0.870 880 R HN 0.137 nan 8.270 nan 0.000 0.445 881 A N 1.162 124.031 122.820 0.081 0.000 1.858 881 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 881 A C 2.158 179.732 177.584 -0.017 0.000 1.190 881 A CA 1.299 53.319 52.037 -0.029 0.000 0.617 881 A CB -0.653 18.280 19.000 -0.111 0.000 0.827 881 A HN 0.343 nan 8.150 nan 0.000 0.443 882 L N -1.835 119.324 121.223 -0.106 0.000 2.079 882 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 882 L C 2.460 179.426 176.870 0.159 0.000 1.081 882 L CA 1.368 56.176 54.840 -0.052 0.000 0.752 882 L CB -0.604 41.392 42.059 -0.106 0.000 0.896 882 L HN 0.442 nan 8.230 nan 0.000 0.433 883 F N -0.961 119.045 119.950 0.093 0.000 2.408 883 F HA -0.184 4.343 4.527 -0.000 0.000 0.300 883 F C 1.633 177.438 175.800 0.008 0.000 1.090 883 F CA 0.653 58.559 58.000 -0.156 0.000 1.427 883 F CB -0.083 38.724 39.000 -0.322 0.000 1.070 883 F HN 0.224 nan 8.300 nan 0.000 0.549 884 H N -1.085 118.186 119.070 0.335 0.000 2.581 884 H HA 0.141 4.697 4.556 -0.000 0.000 0.275 884 H C 1.675 177.083 175.328 0.133 0.000 1.126 884 H CA -0.063 56.122 56.048 0.228 0.000 1.097 884 H CB -0.122 29.678 29.762 0.063 0.000 1.626 884 H HN 0.237 nan 8.280 nan 0.000 0.565 885 M N -0.243 119.486 119.600 0.214 0.000 2.630 885 M HA -0.013 4.467 4.480 -0.000 0.000 0.254 885 M C 0.542 176.904 176.300 0.103 0.000 1.092 885 M CA 1.251 56.648 55.300 0.163 0.000 1.087 885 M CB 0.192 32.925 32.600 0.220 0.000 1.453 885 M HN 0.077 nan 8.290 nan 0.000 0.509 886 D N -0.828 119.580 120.400 0.014 0.000 2.355 886 D HA -0.005 4.635 4.640 -0.000 0.000 0.206 886 D C 0.860 177.210 176.300 0.084 0.000 1.010 886 D CA 0.289 54.318 54.000 0.049 0.000 0.875 886 D CB -0.399 40.416 40.800 0.025 0.000 0.966 886 D HN 0.478 nan 8.370 nan 0.000 0.512 887 N N 0.234 118.973 118.700 0.065 0.000 1.347 887 N HA -0.292 4.448 4.740 -0.000 0.000 0.141 887 N C -0.255 175.220 175.510 -0.059 0.000 0.677 887 N CA 2.624 55.652 53.050 -0.037 0.000 1.016 887 N CB -1.345 37.041 38.487 -0.169 0.000 1.268 887 N HN 0.349 nan 8.380 nan 0.000 0.487 888 C N 0.082 119.090 119.300 -0.486 0.000 2.647 888 C HA 0.463 4.923 4.460 -0.000 0.000 0.296 888 C C -0.755 173.794 174.990 -0.735 0.000 1.403 888 C CA -0.542 58.283 59.018 -0.322 0.000 1.781 888 C CB -2.003 25.584 27.740 -0.255 0.000 2.464 888 C HN 0.340 nan 8.230 nan 0.000 0.559 889 Y N 0.515 120.603 120.300 -0.354 0.000 2.393 889 Y HA 0.466 5.016 4.550 -0.000 0.000 0.341 889 Y C 0.233 175.513 175.900 -1.033 0.000 0.988 889 Y CA -1.041 56.695 58.100 -0.606 0.000 1.078 889 Y CB 0.928 39.234 38.460 -0.257 0.000 1.203 889 Y HN -0.138 nan 8.280 nan 0.000 0.453 890 K N 3.892 123.747 120.400 -0.907 0.000 2.349 890 K HA 0.427 4.747 4.320 -0.000 0.000 0.289 890 K C -1.420 175.013 176.600 -0.279 0.000 1.064 890 K CA 0.288 56.158 56.287 -0.694 0.000 0.947 890 K CB -0.116 32.126 32.500 -0.431 0.000 1.007 890 K HN 0.687 nan 8.250 nan 0.000 0.478 891 I N 8.298 128.766 120.570 -0.170 0.000 2.466 891 I HA 0.221 4.391 4.170 -0.000 0.000 0.279 891 I C -1.755 174.313 176.117 -0.081 0.000 1.033 891 I CA -2.309 58.923 61.300 -0.113 0.000 1.123 891 I CB 1.804 39.746 38.000 -0.096 0.000 1.237 891 I HN 0.580 nan 8.210 nan 0.000 0.460 892 P HA -0.147 nan 4.420 nan 0.000 0.215 892 P C -0.220 177.038 177.300 -0.071 0.000 1.163 892 P CA 1.534 64.590 63.100 -0.074 0.000 0.894 892 P CB 0.147 31.795 31.700 -0.087 0.000 0.791 893 N N -0.121 118.509 118.700 -0.117 0.000 2.443 893 N HA 0.440 5.180 4.740 -0.000 0.000 0.269 893 N C -0.668 174.756 175.510 -0.143 0.000 0.985 893 N CA -0.308 52.666 53.050 -0.125 0.000 0.921 893 N CB 2.054 40.430 38.487 -0.184 0.000 1.195 893 N HN 0.060 nan 8.380 nan 0.000 0.492 894 I N 0.565 121.099 120.570 -0.059 0.000 2.827 894 I HA 0.443 4.613 4.170 -0.000 0.000 0.298 894 I C -1.521 174.621 176.117 0.042 0.000 1.235 894 I CA -0.741 60.540 61.300 -0.032 0.000 1.021 894 I CB 2.620 40.614 38.000 -0.010 0.000 1.259 894 I HN 0.342 nan 8.210 nan 0.000 0.427 895 R N 4.640 125.175 120.500 0.059 0.000 2.515 895 R HA 0.654 4.994 4.340 -0.000 0.000 0.291 895 R C -1.437 174.938 176.300 0.125 0.000 1.046 895 R CA -0.613 55.548 56.100 0.101 0.000 0.914 895 R CB 2.037 32.393 30.300 0.093 0.000 1.191 895 R HN 0.844 nan 8.270 nan 0.000 0.435 896 G N 1.794 110.692 108.800 0.163 0.000 2.590 896 G HA2 0.484 4.444 3.960 -0.000 0.000 0.310 896 G HA3 0.484 4.444 3.960 -0.000 0.000 0.310 896 G C -0.733 174.271 174.900 0.174 0.000 1.347 896 G CA -0.413 44.814 45.100 0.213 0.000 0.963 896 G HN 0.536 nan 8.290 nan 0.000 0.494 897 T N -0.968 113.684 114.554 0.163 0.000 2.924 897 T HA 0.859 5.209 4.350 -0.000 0.000 0.291 897 T C 0.013 174.723 174.700 0.017 0.000 1.045 897 T CA -0.614 61.513 62.100 0.045 0.000 1.015 897 T CB 2.382 71.229 68.868 -0.035 0.000 1.103 897 T HN 1.231 nan 8.240 nan 0.000 0.496 898 G N 1.034 109.754 108.800 -0.134 0.000 2.682 898 G HA2 0.649 4.609 3.960 -0.000 0.000 0.300 898 G HA3 0.649 4.609 3.960 -0.000 0.000 0.300 898 G C -1.399 173.306 174.900 -0.324 0.000 1.391 898 G CA -0.868 44.099 45.100 -0.221 0.000 0.990 898 G HN 0.630 nan 8.290 nan 0.000 0.501 899 R N 1.233 121.489 120.500 -0.407 0.000 2.621 899 R HA 0.388 4.728 4.340 -0.000 0.000 0.284 899 R C -0.850 175.369 176.300 -0.135 0.000 0.998 899 R CA -0.813 55.067 56.100 -0.366 0.000 0.895 899 R CB 2.038 31.966 30.300 -0.620 0.000 1.195 899 R HN 0.484 nan 8.270 nan 0.000 0.450 900 L N 2.797 124.028 121.223 0.013 0.000 2.257 900 L HA 0.434 4.774 4.340 -0.000 0.000 0.290 900 L C -0.043 177.002 176.870 0.292 0.000 1.044 900 L CA -0.795 54.135 54.840 0.150 0.000 0.810 900 L CB 1.266 43.461 42.059 0.227 0.000 1.193 900 L HN 0.420 nan 8.230 nan 0.000 0.425 901 C N 3.373 122.820 119.300 0.245 0.000 2.482 901 C HA 0.148 4.608 4.460 -0.000 0.000 0.378 901 C C 0.847 175.786 174.990 -0.085 0.000 1.284 901 C CA -0.740 58.362 59.018 0.140 0.000 1.826 901 C CB 0.085 27.897 27.740 0.119 0.000 2.473 901 C HN 0.674 nan 8.230 nan 0.000 0.562 902 K N 3.548 123.714 120.400 -0.389 0.000 2.284 902 K HA 0.392 4.712 4.320 -0.000 0.000 0.287 902 K C 0.282 176.689 176.600 -0.322 0.000 1.081 902 K CA 0.234 56.128 56.287 -0.655 0.000 0.910 902 K CB 0.417 32.287 32.500 -1.049 0.000 1.088 902 K HN 0.914 nan 8.250 nan 0.000 0.478 903 T N 0.447 114.896 114.554 -0.175 0.000 2.887 903 T HA 0.296 4.646 4.350 -0.000 0.000 0.292 903 T C -0.223 174.404 174.700 -0.122 0.000 1.087 903 T CA -1.069 60.944 62.100 -0.144 0.000 1.009 903 T CB 0.988 69.789 68.868 -0.111 0.000 1.203 903 T HN 0.533 nan 8.240 nan 0.000 0.518 904 N N 0.611 119.233 118.700 -0.130 0.000 3.331 904 N HA 0.509 5.249 4.740 -0.000 0.000 0.303 904 N C -0.935 174.532 175.510 -0.071 0.000 1.326 904 N CA -0.223 52.757 53.050 -0.116 0.000 1.207 904 N CB -0.224 38.192 38.487 -0.119 0.000 1.477 904 N HN 0.380 nan 8.380 nan 0.000 0.541 905 L N -0.549 120.634 121.223 -0.065 0.000 2.359 905 L HA 0.461 4.801 4.340 -0.000 0.000 0.256 905 L C 0.017 176.877 176.870 -0.017 0.000 1.026 905 L CA -1.122 53.690 54.840 -0.048 0.000 0.828 905 L CB 1.861 43.851 42.059 -0.116 0.000 1.406 905 L HN 0.084 nan 8.230 nan 0.000 0.413 906 S N 0.654 116.369 115.700 0.024 0.000 2.558 906 S HA -0.034 4.436 4.470 -0.000 0.000 0.293 906 S C 0.238 174.848 174.600 0.016 0.000 1.292 906 S CA -0.036 58.184 58.200 0.032 0.000 1.063 906 S CB 0.701 63.947 63.200 0.078 0.000 0.831 906 S HN 0.554 nan 8.310 nan 0.000 0.499 907 S N 3.499 119.208 115.700 0.014 0.000 2.515 907 S HA 0.033 4.503 4.470 -0.000 0.000 0.285 907 S C 0.310 174.919 174.600 0.016 0.000 1.265 907 S CA -0.598 57.614 58.200 0.021 0.000 1.079 907 S CB -0.313 62.905 63.200 0.031 0.000 0.877 907 S HN 0.606 nan 8.310 nan 0.000 0.493 908 N N 2.982 121.630 118.700 -0.086 0.000 2.467 908 N HA 0.350 5.090 4.740 -0.000 0.000 0.262 908 N C 0.325 175.839 175.510 0.007 0.000 1.234 908 N CA -0.046 52.885 53.050 -0.198 0.000 0.952 908 N CB 1.487 39.552 38.487 -0.704 0.000 1.158 908 N HN 0.713 nan 8.380 nan 0.000 0.463 909 T N -1.362 113.314 114.554 0.203 0.000 2.572 909 T HA 0.633 4.983 4.350 -0.000 0.000 0.274 909 T C -1.204 173.773 174.700 0.461 0.000 0.949 909 T CA -0.471 61.858 62.100 0.381 0.000 1.126 909 T CB 0.263 69.326 68.868 0.326 0.000 1.478 909 T HN 0.461 nan 8.240 nan 0.000 0.492 910 A N 0.999 124.105 122.820 0.476 0.000 2.462 910 A HA 0.623 4.943 4.320 -0.000 0.000 0.243 910 A C -0.781 177.212 177.584 0.682 0.000 1.076 910 A CA -0.096 52.300 52.037 0.598 0.000 0.773 910 A CB -0.651 18.785 19.000 0.726 0.000 1.010 910 A HN 0.723 nan 8.150 nan 0.000 0.493 911 F N 1.916 122.150 119.950 0.472 0.000 2.630 911 F HA 0.401 4.928 4.527 -0.000 0.000 0.325 911 F C 0.413 176.396 175.800 0.305 0.000 1.184 911 F CA -1.053 57.188 58.000 0.402 0.000 1.011 911 F CB 1.146 40.244 39.000 0.163 0.000 1.268 911 F HN 0.786 nan 8.300 nan 0.000 0.480 912 R N 4.046 125.018 120.500 0.787 0.000 3.958 912 R HA -0.009 4.331 4.340 -0.000 0.000 0.186 912 R C 0.919 177.408 176.300 0.316 0.000 0.520 912 R CA 2.102 58.494 56.100 0.486 0.000 0.917 912 R CB -0.592 30.002 30.300 0.489 0.000 1.014 912 R HN 1.153 nan 8.270 nan 0.000 0.296 913 G N 3.594 112.550 108.800 0.261 0.000 2.541 913 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.201 913 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.201 913 G C 0.207 175.379 174.900 0.453 0.000 1.026 913 G CA -0.134 45.108 45.100 0.238 0.000 0.687 913 G HN 0.762 nan 8.290 nan 0.000 0.492 914 F N 1.109 121.185 119.950 0.211 0.000 2.866 914 F HA 0.069 4.596 4.527 -0.000 0.000 0.254 914 F C 1.798 177.652 175.800 0.090 0.000 1.009 914 F CA 2.592 60.703 58.000 0.185 0.000 0.907 914 F CB -0.963 38.157 39.000 0.200 0.000 0.859 914 F HN 2.061 nan 8.300 nan 0.000 0.842 915 G N -0.108 108.685 108.800 -0.012 0.000 2.284 915 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.247 915 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.247 915 G C 1.500 176.298 174.900 -0.170 0.000 1.012 915 G CA 0.754 45.758 45.100 -0.160 0.000 0.618 915 G HN 1.547 nan 8.290 nan 0.000 0.521 916 G N 1.708 110.483 108.800 -0.042 0.000 2.433 916 G HA2 0.073 4.032 3.960 -0.000 0.000 0.216 916 G HA3 0.073 4.032 3.960 -0.000 0.000 0.216 916 G C 0.106 174.948 174.900 -0.096 0.000 1.186 916 G CA 1.938 46.962 45.100 -0.127 0.000 0.779 916 G HN 0.540 nan 8.290 nan 0.000 0.543 917 P HA -0.130 nan 4.420 nan 0.000 0.216 917 P C 1.792 179.147 177.300 0.091 0.000 1.153 917 P CA 1.491 64.672 63.100 0.134 0.000 0.858 917 P CB -0.018 31.739 31.700 0.096 0.000 0.789 918 Q N -0.678 119.027 119.800 -0.159 0.000 2.050 918 Q HA -0.090 4.250 4.340 -0.000 0.000 0.202 918 Q C 2.305 178.232 176.000 -0.122 0.000 0.980 918 Q CA 1.991 57.638 55.803 -0.260 0.000 0.840 918 Q CB -1.289 26.859 28.738 -0.983 0.000 0.898 918 Q HN 0.169 nan 8.270 nan 0.000 0.424 919 A N 0.313 123.012 122.820 -0.201 0.000 1.930 919 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 919 A C 2.054 179.609 177.584 -0.048 0.000 1.175 919 A CA 1.056 53.086 52.037 -0.013 0.000 0.627 919 A CB -0.648 18.343 19.000 -0.014 0.000 0.815 919 A HN 0.321 nan 8.150 nan 0.000 0.443 920 L N -2.011 119.067 121.223 -0.241 0.000 2.093 920 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 920 L C 2.454 179.051 176.870 -0.455 0.000 1.085 920 L CA 1.411 55.871 54.840 -0.634 0.000 0.755 920 L CB -0.537 40.605 42.059 -1.529 0.000 0.904 920 L HN 0.507 nan 8.230 nan 0.000 0.435 921 F N 1.059 120.909 119.950 -0.168 0.000 2.102 921 F HA -0.214 4.313 4.527 -0.000 0.000 0.298 921 F C 2.246 178.038 175.800 -0.012 0.000 1.105 921 F CA 1.458 59.545 58.000 0.145 0.000 1.239 921 F CB -0.242 38.854 39.000 0.160 0.000 0.991 921 F HN -0.113 nan 8.300 nan 0.000 0.474 922 I N 0.340 120.827 120.570 -0.139 0.000 2.226 922 I HA -0.313 3.857 4.170 -0.000 0.000 0.245 922 I C 2.692 178.538 176.117 -0.452 0.000 1.100 922 I CA 1.203 62.355 61.300 -0.246 0.000 1.374 922 I CB -1.003 37.032 38.000 0.058 0.000 1.057 922 I HN 0.265 nan 8.210 nan 0.000 0.413 923 A N 0.417 122.977 122.820 -0.433 0.000 1.858 923 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 923 A C 2.233 178.983 177.584 -1.390 0.000 1.190 923 A CA 1.465 52.955 52.037 -0.912 0.000 0.617 923 A CB -0.437 18.335 19.000 -0.379 0.000 0.827 923 A HN 0.308 nan 8.150 nan 0.000 0.443 924 E N -0.064 119.676 120.200 -0.766 0.000 2.204 924 E HA -0.182 4.168 4.350 -0.000 0.000 0.195 924 E C 1.752 177.849 176.600 -0.838 0.000 0.990 924 E CA 1.237 57.157 56.400 -0.801 0.000 0.821 924 E CB -0.490 28.799 29.700 -0.684 0.000 0.750 924 E HN 0.733 nan 8.360 nan 0.000 0.477 925 N N 1.096 119.418 118.700 -0.631 0.000 2.080 925 N HA -0.154 4.585 4.740 -0.000 0.000 0.189 925 N C 1.916 177.222 175.510 -0.340 0.000 1.036 925 N CA 1.952 54.795 53.050 -0.346 0.000 0.846 925 N CB -0.367 37.829 38.487 -0.484 0.000 1.015 925 N HN 0.374 nan 8.380 nan 0.000 0.423 926 W N -0.693 120.346 121.300 -0.436 0.000 2.425 926 W HA -0.024 4.636 4.660 -0.000 0.000 0.277 926 W C 1.624 177.958 176.519 -0.308 0.000 1.231 926 W CA 0.139 57.262 57.345 -0.370 0.000 1.248 926 W CB -0.766 28.435 29.460 -0.431 0.000 1.117 926 W HN 0.155 nan 8.180 nan 0.000 0.568 927 M N 3.333 122.625 119.600 -0.514 0.000 2.175 927 M HA -0.173 4.307 4.480 -0.000 0.000 0.264 927 M C 2.528 178.636 176.300 -0.320 0.000 1.063 927 M CA 2.732 57.746 55.300 -0.475 0.000 1.119 927 M CB -0.825 31.220 32.600 -0.923 0.000 1.377 927 M HN 0.062 nan 8.290 nan 0.000 0.415 928 S N -0.711 114.800 115.700 -0.314 0.000 2.402 928 S HA -0.129 4.341 4.470 -0.000 0.000 0.229 928 S C 1.732 176.279 174.600 -0.089 0.000 1.021 928 S CA 1.370 59.469 58.200 -0.168 0.000 0.974 928 S CB -0.839 62.322 63.200 -0.065 0.000 0.800 928 S HN 0.693 nan 8.310 nan 0.000 0.484 929 E N 0.781 120.941 120.200 -0.067 0.000 2.152 929 E HA -0.015 4.335 4.350 -0.000 0.000 0.192 929 E C 2.075 178.622 176.600 -0.089 0.000 0.983 929 E CA 0.955 57.347 56.400 -0.014 0.000 0.818 929 E CB -0.271 29.480 29.700 0.084 0.000 0.758 929 E HN 0.406 nan 8.360 nan 0.000 0.467 930 V N 1.547 121.312 119.914 -0.249 0.000 2.307 930 V HA -0.257 3.863 4.120 -0.000 0.000 0.245 930 V C 2.377 178.281 176.094 -0.317 0.000 1.045 930 V CA 1.867 63.787 62.300 -0.634 0.000 1.024 930 V CB -0.652 30.719 31.823 -0.754 0.000 0.651 930 V HN 0.299 nan 8.190 nan 0.000 0.449 931 A N -0.187 122.523 122.820 -0.183 0.000 1.883 931 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 931 A C 2.396 179.975 177.584 -0.008 0.000 1.186 931 A CA 2.247 54.240 52.037 -0.074 0.000 0.624 931 A CB -0.764 18.205 19.000 -0.052 0.000 0.822 931 A HN 0.328 nan 8.150 nan 0.000 0.444 932 V N -0.304 119.611 119.914 0.001 0.000 2.295 932 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 932 V C 2.749 178.887 176.094 0.074 0.000 1.049 932 V CA 2.511 64.838 62.300 0.046 0.000 1.024 932 V CB -1.347 30.509 31.823 0.054 0.000 0.648 932 V HN 0.613 nan 8.190 nan 0.000 0.447 933 T N -1.150 113.458 114.554 0.090 0.000 2.759 933 T HA -0.237 4.113 4.350 -0.000 0.000 0.269 933 T C 1.811 176.621 174.700 0.183 0.000 1.042 933 T CA 1.981 64.184 62.100 0.171 0.000 1.140 933 T CB -0.484 68.575 68.868 0.317 0.000 0.864 933 T HN 0.549 nan 8.240 nan 0.000 0.455 934 C N 0.606 120.005 119.300 0.164 0.000 2.481 934 C HA 0.410 4.870 4.460 -0.000 0.000 0.275 934 C C 2.108 177.158 174.990 0.101 0.000 1.419 934 C CA -0.185 58.926 59.018 0.155 0.000 1.773 934 C CB -1.328 26.496 27.740 0.141 0.000 1.862 934 C HN 0.821 nan 8.230 nan 0.000 0.530 935 G N 0.834 109.685 108.800 0.084 0.000 2.225 935 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.264 935 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.264 935 G C -0.289 174.652 174.900 0.069 0.000 1.060 935 G CA 0.074 45.217 45.100 0.072 0.000 0.833 935 G HN 0.529 nan 8.290 nan 0.000 0.498 936 L N -0.781 120.483 121.223 0.068 0.000 2.341 936 L HA 0.551 4.891 4.340 -0.000 0.000 0.267 936 L C -2.082 174.837 176.870 0.083 0.000 1.009 936 L CA -2.680 52.205 54.840 0.075 0.000 0.819 936 L CB 2.040 44.143 42.059 0.074 0.000 1.323 936 L HN -0.152 nan 8.230 nan 0.000 0.425 937 P HA 0.026 nan 4.420 nan 0.000 0.264 937 P C 0.141 177.524 177.300 0.138 0.000 1.193 937 P CA 0.060 63.244 63.100 0.141 0.000 0.763 937 P CB 1.010 32.823 31.700 0.189 0.000 0.810 938 A N 4.989 127.886 122.820 0.128 0.000 1.892 938 A HA -0.250 4.069 4.320 -0.000 0.000 0.218 938 A C 1.971 179.646 177.584 0.152 0.000 1.188 938 A CA 1.887 53.982 52.037 0.097 0.000 0.631 938 A CB -0.977 18.075 19.000 0.087 0.000 0.822 938 A HN 0.670 nan 8.150 nan 0.000 0.447 939 E N 0.392 120.728 120.200 0.226 0.000 2.153 939 E HA -0.247 4.103 4.350 -0.000 0.000 0.194 939 E C 1.612 178.457 176.600 0.409 0.000 0.988 939 E CA 1.619 58.237 56.400 0.364 0.000 0.811 939 E CB -0.578 29.209 29.700 0.145 0.000 0.746 939 E HN 0.767 nan 8.360 nan 0.000 0.466 940 E N 0.519 120.895 120.200 0.294 0.000 2.047 940 E HA -0.100 4.250 4.350 -0.000 0.000 0.191 940 E C 2.312 179.033 176.600 0.202 0.000 0.987 940 E CA 1.381 57.944 56.400 0.271 0.000 0.799 940 E CB 0.133 29.955 29.700 0.205 0.000 0.752 940 E HN 0.130 nan 8.360 nan 0.000 0.449 941 V N 1.191 121.170 119.914 0.107 0.000 2.407 941 V HA -0.250 3.870 4.120 -0.000 0.000 0.248 941 V C 2.243 178.290 176.094 -0.077 0.000 1.055 941 V CA 1.660 63.960 62.300 0.001 0.000 1.049 941 V CB -0.459 31.330 31.823 -0.057 0.000 0.662 941 V HN 0.206 nan 8.190 nan 0.000 0.455 942 R N -0.992 119.476 120.500 -0.052 0.000 2.066 942 R HA -0.188 4.152 4.340 -0.000 0.000 0.232 942 R C 2.272 178.511 176.300 -0.102 0.000 1.131 942 R CA 1.909 57.927 56.100 -0.136 0.000 0.955 942 R CB -0.508 29.786 30.300 -0.010 0.000 0.851 942 R HN 0.715 nan 8.270 nan 0.000 0.432 943 W N 3.752 124.901 121.300 -0.253 0.000 2.335 943 W HA -0.261 4.399 4.660 -0.000 0.000 0.311 943 W C 1.543 177.973 176.519 -0.148 0.000 1.213 943 W CA 1.941 59.101 57.345 -0.309 0.000 1.274 943 W CB -0.035 29.353 29.460 -0.121 0.000 1.148 943 W HN 0.072 nan 8.180 nan 0.000 0.498 944 K N -0.217 120.096 120.400 -0.146 0.000 2.362 944 K HA -0.117 4.203 4.320 -0.000 0.000 0.200 944 K C 1.289 177.736 176.600 -0.254 0.000 1.046 944 K CA 1.475 57.628 56.287 -0.224 0.000 0.952 944 K CB -0.545 31.945 32.500 -0.017 0.000 0.753 944 K HN 0.034 nan 8.250 nan 0.000 0.466 945 N N 0.417 118.986 118.700 -0.218 0.000 2.299 945 N HA 0.064 4.804 4.740 -0.000 0.000 0.187 945 N C 0.139 175.567 175.510 -0.137 0.000 1.099 945 N CA -0.009 52.938 53.050 -0.171 0.000 0.867 945 N CB 0.260 38.631 38.487 -0.194 0.000 0.974 945 N HN 0.277 nan 8.380 nan 0.000 0.477 946 M N 0.970 120.442 119.600 -0.214 0.000 2.252 946 M HA -0.004 4.476 4.480 -0.000 0.000 0.333 946 M C -0.301 175.803 176.300 -0.325 0.000 1.111 946 M CA -0.017 55.124 55.300 -0.264 0.000 1.140 946 M CB 0.509 32.856 32.600 -0.423 0.000 1.538 946 M HN 0.008 nan 8.290 nan 0.000 0.448 947 Y N 3.524 123.637 120.300 -0.311 0.000 2.459 947 Y HA 0.074 4.624 4.550 -0.000 0.000 0.349 947 Y C 0.344 175.956 175.900 -0.479 0.000 1.266 947 Y CA 0.279 58.066 58.100 -0.522 0.000 1.483 947 Y CB 0.523 38.375 38.460 -1.014 0.000 1.362 947 Y HN 0.465 nan 8.280 nan 0.000 0.628 948 K N 0.158 120.402 120.400 -0.259 0.000 2.395 948 K HA 0.441 4.761 4.320 -0.000 0.000 0.247 948 K C -1.193 175.282 176.600 -0.210 0.000 0.973 948 K CA -1.280 54.907 56.287 -0.166 0.000 0.828 948 K CB 1.605 34.026 32.500 -0.131 0.000 1.272 948 K HN 0.385 nan 8.250 nan 0.000 0.439 949 E N 0.471 120.641 120.200 -0.050 0.000 2.652 949 E HA 0.071 4.421 4.350 -0.000 0.000 0.255 949 E C 0.860 177.398 176.600 -0.103 0.000 0.952 949 E CA 2.244 58.620 56.400 -0.040 0.000 0.947 949 E CB -0.240 29.474 29.700 0.024 0.000 0.912 949 E HN 0.819 nan 8.360 nan 0.000 0.489 950 G N 3.908 112.626 108.800 -0.137 0.000 2.217 950 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.246 950 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.246 950 G C 0.068 174.862 174.900 -0.176 0.000 0.990 950 G CA 0.052 45.076 45.100 -0.127 0.000 0.627 950 G HN 0.637 nan 8.290 nan 0.000 0.522 951 D N 0.400 120.650 120.400 -0.249 0.000 2.362 951 D HA 0.484 5.124 4.640 -0.000 0.000 0.238 951 D C 1.094 177.200 176.300 -0.324 0.000 1.212 951 D CA 0.227 54.084 54.000 -0.237 0.000 0.902 951 D CB 0.557 41.248 40.800 -0.182 0.000 1.180 951 D HN 0.346 nan 8.370 nan 0.000 0.445 952 L N 0.677 121.755 121.223 -0.242 0.000 2.325 952 L HA 0.326 4.666 4.340 -0.000 0.000 0.278 952 L C 1.159 177.838 176.870 -0.317 0.000 1.023 952 L CA -0.812 53.856 54.840 -0.287 0.000 0.811 952 L CB 1.622 43.577 42.059 -0.172 0.000 1.249 952 L HN 0.434 nan 8.230 nan 0.000 0.431 953 T N -3.197 111.034 114.554 -0.538 0.000 2.729 953 T HA 0.058 4.408 4.350 -0.000 0.000 0.298 953 T C 1.344 175.908 174.700 -0.226 0.000 1.013 953 T CA -0.306 61.507 62.100 -0.478 0.000 0.957 953 T CB 0.423 68.618 68.868 -1.122 0.000 1.130 953 T HN 0.736 nan 8.240 nan 0.000 0.526 954 H N 0.040 119.054 119.070 -0.092 0.000 2.521 954 H HA 0.008 4.564 4.556 -0.000 0.000 0.286 954 H C 1.097 176.500 175.328 0.124 0.000 1.034 954 H CA 0.782 56.866 56.048 0.061 0.000 1.278 954 H CB -0.816 29.047 29.762 0.168 0.000 1.386 954 H HN 0.760 nan 8.280 nan 0.000 0.567 955 F N 0.321 120.068 119.950 -0.338 0.000 2.668 955 F HA 0.416 4.943 4.527 -0.000 0.000 0.297 955 F C 0.040 175.833 175.800 -0.011 0.000 1.124 955 F CA -1.090 56.804 58.000 -0.176 0.000 1.353 955 F CB -0.218 38.545 39.000 -0.394 0.000 0.992 955 F HN -0.174 nan 8.300 nan 0.000 0.524 956 N N 1.486 120.073 118.700 -0.190 0.000 2.725 956 N HA -0.277 4.463 4.740 -0.000 0.000 0.249 956 N C -0.203 175.203 175.510 -0.174 0.000 1.103 956 N CA 1.064 54.030 53.050 -0.140 0.000 0.707 956 N CB -1.033 37.452 38.487 -0.003 0.000 1.043 956 N HN 0.782 nan 8.380 nan 0.000 0.553 957 Q N 0.357 119.923 119.800 -0.389 0.000 2.271 957 Q HA 0.330 4.670 4.340 -0.000 0.000 0.258 957 Q C 0.045 175.899 176.000 -0.243 0.000 0.936 957 Q CA -0.672 55.006 55.803 -0.208 0.000 0.909 957 Q CB 1.289 29.996 28.738 -0.051 0.000 1.253 957 Q HN 0.211 nan 8.270 nan 0.000 0.440 958 R N 3.750 124.177 120.500 -0.123 0.000 2.491 958 R HA 0.182 4.522 4.340 -0.000 0.000 0.283 958 R C -0.824 175.402 176.300 -0.124 0.000 1.072 958 R CA -0.107 55.907 56.100 -0.143 0.000 1.048 958 R CB 0.379 30.633 30.300 -0.077 0.000 0.983 958 R HN 0.638 nan 8.270 nan 0.000 0.450 959 L N 5.287 126.357 121.223 -0.254 0.000 2.288 959 L HA 0.248 4.588 4.340 -0.000 0.000 0.283 959 L C -0.233 176.604 176.870 -0.055 0.000 1.072 959 L CA 0.012 54.715 54.840 -0.228 0.000 0.862 959 L CB 0.919 42.613 42.059 -0.609 0.000 1.245 959 L HN 0.567 nan 8.230 nan 0.000 0.432 960 E N 2.404 122.651 120.200 0.078 0.000 2.156 960 E HA 0.446 4.796 4.350 -0.000 0.000 0.279 960 E C 0.642 177.335 176.600 0.154 0.000 0.965 960 E CA -0.402 56.048 56.400 0.083 0.000 0.789 960 E CB 1.754 31.489 29.700 0.059 0.000 1.098 960 E HN 0.710 nan 8.360 nan 0.000 0.397 961 G N 3.095 111.966 108.800 0.118 0.000 2.212 961 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.255 961 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.255 961 G C -0.328 174.661 174.900 0.149 0.000 1.062 961 G CA -0.356 44.818 45.100 0.124 0.000 0.815 961 G HN 0.517 nan 8.290 nan 0.000 0.497 962 F N 2.627 122.505 119.950 -0.120 0.000 2.512 962 F HA 0.441 4.968 4.527 -0.000 0.000 0.350 962 F C 1.519 177.050 175.800 -0.449 0.000 1.212 962 F CA -0.099 57.638 58.000 -0.438 0.000 1.099 962 F CB 0.514 39.301 39.000 -0.354 0.000 1.238 962 F HN 0.285 nan 8.300 nan 0.000 0.600 963 S N 2.756 117.923 115.700 -0.889 0.000 2.575 963 S HA 0.002 4.472 4.470 -0.000 0.000 0.215 963 S C 1.682 175.937 174.600 -0.574 0.000 0.966 963 S CA 0.351 58.250 58.200 -0.502 0.000 0.911 963 S CB -0.455 62.643 63.200 -0.171 0.000 0.780 963 S HN 0.411 nan 8.310 nan 0.000 0.514 964 V N 3.006 122.238 119.914 -1.136 0.000 2.278 964 V HA -0.135 3.985 4.120 -0.000 0.000 0.251 964 V C -0.273 175.708 176.094 -0.188 0.000 1.062 964 V CA 2.180 64.082 62.300 -0.662 0.000 1.038 964 V CB -1.853 29.412 31.823 -0.929 0.000 0.646 964 V HN 0.392 nan 8.190 nan 0.000 0.447 965 P HA -0.174 nan 4.420 nan 0.000 0.215 965 P C 1.789 179.214 177.300 0.209 0.000 1.157 965 P CA 1.620 64.856 63.100 0.227 0.000 0.874 965 P CB -0.119 31.729 31.700 0.247 0.000 0.790 966 R N -1.195 119.349 120.500 0.073 0.000 2.066 966 R HA -0.102 4.238 4.340 -0.000 0.000 0.232 966 R C 2.370 178.715 176.300 0.074 0.000 1.131 966 R CA 1.693 57.831 56.100 0.063 0.000 0.955 966 R CB -1.326 28.985 30.300 0.019 0.000 0.851 966 R HN 0.247 nan 8.270 nan 0.000 0.432 967 C N -0.232 119.105 119.300 0.061 0.000 2.413 967 C HA -0.156 4.304 4.460 -0.000 0.000 0.276 967 C C 2.413 177.481 174.990 0.130 0.000 1.248 967 C CA 0.184 59.249 59.018 0.079 0.000 1.742 967 C CB -1.106 26.682 27.740 0.079 0.000 2.017 967 C HN 0.669 nan 8.230 nan 0.000 0.481 968 W N 2.069 123.360 121.300 -0.014 0.000 2.354 968 W HA -0.114 4.546 4.660 -0.000 0.000 0.315 968 W C 1.886 178.376 176.519 -0.048 0.000 1.206 968 W CA 1.767 59.108 57.345 -0.006 0.000 1.290 968 W CB -0.626 28.886 29.460 0.086 0.000 1.152 968 W HN 0.377 nan 8.180 nan 0.000 0.489 969 D N 0.247 120.750 120.400 0.172 0.000 2.117 969 D HA -0.188 4.452 4.640 -0.000 0.000 0.197 969 D C 1.932 178.199 176.300 -0.055 0.000 0.987 969 D CA 1.644 55.646 54.000 0.003 0.000 0.829 969 D CB -0.492 40.325 40.800 0.029 0.000 0.961 969 D HN 0.406 nan 8.370 nan 0.000 0.460 970 E N -0.032 120.158 120.200 -0.018 0.000 2.072 970 E HA -0.135 4.215 4.350 -0.000 0.000 0.191 970 E C 2.201 178.762 176.600 -0.066 0.000 0.985 970 E CA 0.531 56.913 56.400 -0.029 0.000 0.801 970 E CB -0.090 29.607 29.700 -0.005 0.000 0.750 970 E HN 0.210 nan 8.360 nan 0.000 0.452 971 C N 0.712 119.952 119.300 -0.100 0.000 2.446 971 C HA -0.079 4.381 4.460 -0.000 0.000 0.277 971 C C 2.559 177.425 174.990 -0.206 0.000 1.275 971 C CA 0.478 59.411 59.018 -0.141 0.000 1.727 971 C CB -0.995 26.648 27.740 -0.163 0.000 2.010 971 C HN 0.381 nan 8.230 nan 0.000 0.486 972 L N 0.766 121.791 121.223 -0.331 0.000 2.042 972 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 972 L C 2.734 179.533 176.870 -0.118 0.000 1.076 972 L CA 2.178 56.812 54.840 -0.343 0.000 0.749 972 L CB -0.694 41.107 42.059 -0.429 0.000 0.893 972 L HN 0.445 nan 8.230 nan 0.000 0.432 973 K N 0.057 120.413 120.400 -0.075 0.000 1.984 973 K HA -0.170 4.150 4.320 -0.000 0.000 0.209 973 K C 2.318 178.909 176.600 -0.016 0.000 1.046 973 K CA 1.747 58.024 56.287 -0.017 0.000 0.934 973 K CB -0.073 32.417 32.500 -0.016 0.000 0.717 973 K HN 0.318 nan 8.250 nan 0.000 0.438 974 S N 0.140 115.823 115.700 -0.030 0.000 2.447 974 S HA -0.112 4.358 4.470 -0.000 0.000 0.233 974 S C 1.907 176.497 174.600 -0.017 0.000 1.006 974 S CA 1.344 59.532 58.200 -0.020 0.000 0.957 974 S CB -0.288 62.899 63.200 -0.022 0.000 0.773 974 S HN 0.430 nan 8.310 nan 0.000 0.507 975 S N 0.598 116.281 115.700 -0.028 0.000 2.558 975 S HA 0.127 4.597 4.470 -0.000 0.000 0.217 975 S C 0.648 175.246 174.600 -0.004 0.000 0.975 975 S CA 0.132 58.323 58.200 -0.016 0.000 0.912 975 S CB -0.720 62.464 63.200 -0.028 0.000 0.776 975 S HN 0.570 nan 8.310 nan 0.000 0.526 976 Q N -0.651 119.151 119.800 0.004 0.000 2.475 976 Q HA -0.295 4.045 4.340 -0.000 0.000 0.280 976 Q C 0.289 176.289 176.000 0.001 0.000 1.234 976 Q CA 0.735 56.549 55.803 0.018 0.000 0.873 976 Q CB -2.493 26.249 28.738 0.007 0.000 1.256 976 Q HN 0.770 nan 8.270 nan 0.000 0.475 977 Y N -0.118 120.075 120.300 -0.177 0.000 2.030 977 Y HA -0.395 4.155 4.550 -0.000 0.000 0.272 977 Y C 1.725 177.461 175.900 -0.274 0.000 1.185 977 Y CA 2.728 60.648 58.100 -0.301 0.000 1.120 977 Y CB -0.519 37.614 38.460 -0.544 0.000 0.955 977 Y HN 0.386 nan 8.280 nan 0.000 0.495 978 Y N -0.574 119.724 120.300 -0.003 0.000 2.165 978 Y HA -0.262 4.288 4.550 -0.000 0.000 0.286 978 Y C 2.685 178.511 175.900 -0.123 0.000 1.155 978 Y CA 1.222 59.273 58.100 -0.082 0.000 1.164 978 Y CB -0.950 37.528 38.460 0.030 0.000 0.978 978 Y HN 0.271 nan 8.280 nan 0.000 0.513 979 A N 0.366 123.222 122.820 0.060 0.000 1.902 979 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 979 A C 2.199 179.752 177.584 -0.052 0.000 1.181 979 A CA 1.625 53.669 52.037 0.012 0.000 0.623 979 A CB -0.539 18.471 19.000 0.018 0.000 0.818 979 A HN 0.388 nan 8.150 nan 0.000 0.443 980 R N -0.698 119.737 120.500 -0.109 0.000 2.148 980 R HA -0.066 4.274 4.340 -0.000 0.000 0.223 980 R C 2.218 178.402 176.300 -0.193 0.000 1.088 980 R CA 1.274 57.291 56.100 -0.138 0.000 0.985 980 R CB -0.188 30.025 30.300 -0.144 0.000 0.880 980 R HN 0.610 nan 8.270 nan 0.000 0.451 981 K N 0.310 120.529 120.400 -0.302 0.000 2.147 981 K HA -0.121 4.198 4.320 -0.000 0.000 0.205 981 K C 2.132 178.655 176.600 -0.129 0.000 1.049 981 K CA 1.550 57.655 56.287 -0.303 0.000 0.936 981 K CB -0.058 32.188 32.500 -0.424 0.000 0.722 981 K HN -0.024 nan 8.250 nan 0.000 0.446 982 S N 0.770 116.423 115.700 -0.080 0.000 2.368 982 S HA -0.162 4.308 4.470 -0.000 0.000 0.224 982 S C 1.936 176.527 174.600 -0.015 0.000 1.029 982 S CA 1.307 59.490 58.200 -0.027 0.000 0.988 982 S CB -0.319 62.876 63.200 -0.008 0.000 0.838 982 S HN 0.443 nan 8.310 nan 0.000 0.462 983 E N 0.855 121.040 120.200 -0.026 0.000 2.077 983 E HA -0.099 4.251 4.350 -0.000 0.000 0.193 983 E C 2.080 178.693 176.600 0.022 0.000 0.989 983 E CA 1.420 57.819 56.400 -0.001 0.000 0.800 983 E CB -0.459 29.227 29.700 -0.023 0.000 0.746 983 E HN 0.439 nan 8.360 nan 0.000 0.452 984 V N 2.288 122.189 119.914 -0.023 0.000 2.332 984 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 984 V C 2.117 178.251 176.094 0.066 0.000 1.055 984 V CA 2.226 64.525 62.300 -0.002 0.000 1.038 984 V CB -0.571 31.215 31.823 -0.061 0.000 0.651 984 V HN 0.227 nan 8.190 nan 0.000 0.450 985 D N -0.229 120.187 120.400 0.028 0.000 2.117 985 D HA -0.191 4.449 4.640 -0.000 0.000 0.197 985 D C 2.143 178.471 176.300 0.046 0.000 0.987 985 D CA 1.474 55.493 54.000 0.032 0.000 0.829 985 D CB -0.195 40.612 40.800 0.011 0.000 0.961 985 D HN 0.449 nan 8.370 nan 0.000 0.460 986 K N 0.018 120.450 120.400 0.053 0.000 2.026 986 K HA -0.172 4.148 4.320 -0.000 0.000 0.208 986 K C 2.209 178.849 176.600 0.066 0.000 1.048 986 K CA 0.811 57.127 56.287 0.048 0.000 0.929 986 K CB -0.381 32.149 32.500 0.050 0.000 0.713 986 K HN 0.037 nan 8.250 nan 0.000 0.439 987 F N 2.459 122.393 119.950 -0.027 0.000 2.120 987 F HA -0.256 4.271 4.527 -0.000 0.000 0.300 987 F C 1.752 177.535 175.800 -0.029 0.000 1.095 987 F CA 1.807 59.792 58.000 -0.025 0.000 1.249 987 F CB -0.261 38.721 39.000 -0.030 0.000 0.995 987 F HN 0.177 nan 8.300 nan 0.000 0.480 988 N N 0.596 119.368 118.700 0.121 0.000 2.309 988 N HA -0.128 4.612 4.740 -0.000 0.000 0.182 988 N C 1.616 177.065 175.510 -0.102 0.000 1.018 988 N CA 1.173 54.226 53.050 0.006 0.000 0.876 988 N CB -0.314 38.208 38.487 0.058 0.000 0.972 988 N HN 0.436 nan 8.380 nan 0.000 0.434 989 K N 0.791 121.145 120.400 -0.076 0.000 2.228 989 K HA 0.010 4.329 4.320 -0.000 0.000 0.202 989 K C 1.062 177.593 176.600 -0.115 0.000 1.051 989 K CA 0.754 56.991 56.287 -0.083 0.000 0.960 989 K CB 0.120 32.593 32.500 -0.045 0.000 0.743 989 K HN 0.347 nan 8.250 nan 0.000 0.458 990 E N 0.353 120.455 120.200 -0.164 0.000 2.474 990 E HA 0.069 4.419 4.350 -0.000 0.000 0.195 990 E C -0.152 176.292 176.600 -0.260 0.000 1.039 990 E CA 0.028 56.321 56.400 -0.179 0.000 0.881 990 E CB 0.307 29.909 29.700 -0.163 0.000 0.970 990 E HN 0.189 nan 8.360 nan 0.000 0.486 991 N N 0.230 118.714 118.700 -0.360 0.000 2.346 991 N HA 0.090 4.830 4.740 -0.000 0.000 0.289 991 N C -0.498 174.841 175.510 -0.286 0.000 1.027 991 N CA -0.248 52.581 53.050 -0.367 0.000 0.864 991 N CB 2.044 40.111 38.487 -0.700 0.000 1.370 991 N HN -0.028 nan 8.380 nan 0.000 0.481 992 C N 1.595 120.724 119.300 -0.286 0.000 2.524 992 C HA 0.196 4.656 4.460 -0.000 0.000 0.284 992 C C 1.068 175.650 174.990 -0.680 0.000 1.346 992 C CA -0.019 58.664 59.018 -0.558 0.000 1.739 992 C CB -0.581 26.720 27.740 -0.731 0.000 2.119 992 C HN 0.865 nan 8.230 nan 0.000 0.501 993 W N 1.526 122.808 121.300 -0.030 0.000 3.123 993 W HA 0.433 5.093 4.660 -0.000 0.000 0.383 993 W C 0.478 177.036 176.519 0.065 0.000 1.102 993 W CA -0.293 57.081 57.345 0.048 0.000 1.865 993 W CB 0.132 29.612 29.460 0.033 0.000 1.111 993 W HN 0.057 nan 8.180 nan 0.000 0.621 994 K N 1.161 121.661 120.400 0.167 0.000 2.498 994 K HA 0.435 4.755 4.320 -0.000 0.000 0.254 994 K C -0.393 176.353 176.600 0.243 0.000 0.933 994 K CA -0.895 55.526 56.287 0.224 0.000 0.806 994 K CB 2.462 35.132 32.500 0.284 0.000 1.301 994 K HN -0.406 nan 8.250 nan 0.000 0.432 995 K N 2.131 122.706 120.400 0.291 0.000 2.508 995 K HA 0.484 4.803 4.320 -0.000 0.000 0.260 995 K C -0.785 175.937 176.600 0.204 0.000 0.949 995 K CA -0.835 55.624 56.287 0.287 0.000 0.834 995 K CB 2.460 35.028 32.500 0.114 0.000 1.365 995 K HN 0.537 nan 8.250 nan 0.000 0.437 996 R N -0.238 120.354 120.500 0.152 0.000 2.787 996 R HA 0.730 5.070 4.340 -0.000 0.000 0.271 996 R C -0.032 176.263 176.300 -0.008 0.000 0.993 996 R CA -0.957 55.117 56.100 -0.044 0.000 0.993 996 R CB 1.960 32.111 30.300 -0.249 0.000 1.155 996 R HN 0.761 nan 8.270 nan 0.000 0.486 997 G N 0.998 109.778 108.800 -0.033 0.000 2.612 997 G HA2 0.610 4.570 3.960 -0.000 0.000 0.298 997 G HA3 0.610 4.570 3.960 -0.000 0.000 0.298 997 G C -2.054 172.837 174.900 -0.015 0.000 1.336 997 G CA -0.386 44.708 45.100 -0.010 0.000 0.953 997 G HN 0.328 nan 8.290 nan 0.000 0.482 998 L N 0.503 121.730 121.223 0.006 0.000 2.445 998 L HA 0.867 5.206 4.340 -0.000 0.000 0.262 998 L C -1.036 175.897 176.870 0.106 0.000 0.974 998 L CA -0.659 54.193 54.840 0.020 0.000 0.822 998 L CB 2.005 44.019 42.059 -0.076 0.000 1.339 998 L HN 0.858 nan 8.230 nan 0.000 0.409 999 C N 5.249 124.641 119.300 0.152 0.000 3.006 999 C HA 0.670 5.130 4.460 -0.000 0.000 0.359 999 C C -1.408 173.654 174.990 0.120 0.000 1.103 999 C CA -0.818 58.304 59.018 0.173 0.000 1.286 999 C CB 0.822 28.670 27.740 0.179 0.000 1.694 999 C HN 0.921 nan 8.230 nan 0.000 0.511 1000 I N 6.915 127.497 120.570 0.020 0.000 2.418 1000 I HA 0.744 4.914 4.170 -0.000 0.000 0.287 1000 I C -0.737 175.402 176.117 0.037 0.000 1.008 1000 I CA -0.699 60.519 61.300 -0.137 0.000 1.104 1000 I CB 1.130 38.745 38.000 -0.642 0.000 1.264 1000 I HN 0.741 nan 8.210 nan 0.000 0.438 1001 I N 7.019 127.660 120.570 0.118 0.000 2.608 1001 I HA 0.783 4.953 4.170 -0.000 0.000 0.295 1001 I C -2.895 173.407 176.117 0.307 0.000 1.049 1001 I CA -1.912 59.525 61.300 0.230 0.000 1.063 1001 I CB 2.156 40.209 38.000 0.090 0.000 1.248 1001 I HN 0.258 nan 8.210 nan 0.000 0.424 1002 P HA 0.557 nan 4.420 nan 0.000 0.293 1002 P C -0.960 176.500 177.300 0.268 0.000 1.305 1002 P CA -0.534 62.743 63.100 0.295 0.000 0.874 1002 P CB 2.576 34.403 31.700 0.212 0.000 1.288 1003 T N -1.425 113.281 114.554 0.253 0.000 2.893 1003 T HA 0.492 4.842 4.350 -0.000 0.000 0.337 1003 T C -1.873 173.009 174.700 0.304 0.000 1.587 1003 T CA -0.695 61.582 62.100 0.294 0.000 1.066 1003 T CB 0.974 70.103 68.868 0.435 0.000 1.414 1003 T HN 0.709 nan 8.240 nan 0.000 0.488 1004 K N 2.292 122.879 120.400 0.311 0.000 2.464 1004 K HA 0.783 5.103 4.320 -0.000 0.000 0.253 1004 K C -2.044 174.785 176.600 0.381 0.000 0.933 1004 K CA -0.880 55.597 56.287 0.317 0.000 0.801 1004 K CB 2.052 34.780 32.500 0.380 0.000 1.271 1004 K HN 0.402 nan 8.250 nan 0.000 0.430 1005 F N 1.317 121.328 119.950 0.102 0.000 2.557 1005 F HA 0.469 4.996 4.527 -0.000 0.000 0.316 1005 F C -0.136 175.583 175.800 -0.135 0.000 1.141 1005 F CA -0.274 57.774 58.000 0.080 0.000 0.922 1005 F CB 2.110 41.074 39.000 -0.061 0.000 1.194 1005 F HN 0.810 nan 8.300 nan 0.000 0.443 1006 G N 6.279 114.613 108.800 -0.777 0.000 2.378 1006 G HA2 0.421 4.380 3.960 -0.000 0.000 0.255 1006 G HA3 0.421 4.380 3.960 -0.000 0.000 0.255 1006 G C -0.754 173.347 174.900 -1.331 0.000 1.270 1006 G CA -0.402 43.492 45.100 -2.009 0.000 0.876 1006 G HN 0.465 nan 8.290 nan 0.000 0.521 1007 I N 2.137 122.140 120.570 -0.945 0.000 2.339 1007 I HA 0.520 4.690 4.170 -0.000 0.000 0.290 1007 I C 0.412 176.325 176.117 -0.339 0.000 0.994 1007 I CA -0.267 60.672 61.300 -0.601 0.000 1.191 1007 I CB -0.046 37.377 38.000 -0.962 0.000 1.343 1007 I HN 0.859 nan 8.210 nan 0.000 0.458 1008 S N 4.897 120.453 115.700 -0.241 0.000 2.539 1008 S HA 0.097 4.567 4.470 -0.000 0.000 0.280 1008 S C -1.000 173.478 174.600 -0.204 0.000 0.679 1008 S CA -0.959 57.122 58.200 -0.198 0.000 1.358 1008 S CB -0.777 62.356 63.200 -0.113 0.000 1.669 1008 S HN 0.192 nan 8.310 nan 0.000 0.458 1009 F N 2.134 121.988 119.950 -0.160 0.000 2.495 1009 F HA 0.404 4.930 4.527 -0.000 0.000 0.365 1009 F C 2.361 178.049 175.800 -0.188 0.000 1.090 1009 F CA 0.536 58.427 58.000 -0.182 0.000 1.235 1009 F CB 1.241 40.101 39.000 -0.234 0.000 1.119 1009 F HN 0.907 nan 8.300 nan 0.000 0.562 1010 T N -1.130 113.439 114.554 0.025 0.000 3.072 1010 T HA 0.002 4.352 4.350 -0.000 0.000 0.266 1010 T C 0.538 175.248 174.700 0.017 0.000 1.127 1010 T CA 0.235 62.287 62.100 -0.079 0.000 1.107 1010 T CB -0.455 68.444 68.868 0.050 0.000 0.910 1010 T HN 0.195 nan 8.240 nan 0.000 0.513 1011 V N 4.003 123.927 119.914 0.017 0.000 2.353 1011 V HA 0.205 4.325 4.120 -0.000 0.000 0.264 1011 V C -1.213 174.772 176.094 -0.182 0.000 1.049 1011 V CA -1.659 60.595 62.300 -0.078 0.000 0.896 1011 V CB 1.149 32.820 31.823 -0.255 0.000 1.025 1011 V HN 0.187 nan 8.190 nan 0.000 0.475 1012 P HA -0.236 nan 4.420 nan 0.000 0.217 1012 P C 1.642 178.894 177.300 -0.079 0.000 1.162 1012 P CA 1.628 64.696 63.100 -0.053 0.000 0.901 1012 P CB -0.047 31.667 31.700 0.024 0.000 0.793 1013 F N -1.252 118.662 119.950 -0.061 0.000 2.373 1013 F HA -0.080 4.447 4.527 -0.000 0.000 0.300 1013 F C 1.589 177.302 175.800 -0.143 0.000 1.080 1013 F CA 1.044 58.994 58.000 -0.083 0.000 1.417 1013 F CB -1.629 37.332 39.000 -0.065 0.000 1.070 1013 F HN -0.159 nan 8.300 nan 0.000 0.546 1014 L N 0.626 121.410 121.223 -0.732 0.000 2.492 1014 L HA 0.004 4.344 4.340 -0.000 0.000 0.223 1014 L C 0.750 177.337 176.870 -0.470 0.000 1.132 1014 L CA 0.282 54.657 54.840 -0.775 0.000 0.850 1014 L CB -0.652 40.561 42.059 -1.410 0.000 0.966 1014 L HN 0.141 nan 8.230 nan 0.000 0.454 1015 N N 2.563 121.128 118.700 -0.225 0.000 3.254 1015 N HA 0.040 4.780 4.740 -0.000 0.000 0.308 1015 N C -0.439 174.938 175.510 -0.222 0.000 1.281 1015 N CA 0.185 53.172 53.050 -0.105 0.000 1.212 1015 N CB 0.197 38.631 38.487 -0.089 0.000 1.478 1015 N HN 0.530 nan 8.380 nan 0.000 0.548 1016 Q N -0.886 118.768 119.800 -0.243 0.000 2.379 1016 Q HA 0.829 5.169 4.340 -0.000 0.000 0.278 1016 Q C -1.754 174.008 176.000 -0.397 0.000 1.068 1016 Q CA -1.273 54.307 55.803 -0.373 0.000 0.816 1016 Q CB 2.330 30.974 28.738 -0.157 0.000 1.387 1016 Q HN 0.075 nan 8.270 nan 0.000 0.413 1017 A N 0.749 123.199 122.820 -0.617 0.000 2.547 1017 A HA 0.883 5.203 4.320 -0.000 0.000 0.297 1017 A C -0.861 176.602 177.584 -0.201 0.000 1.056 1017 A CA -0.147 51.659 52.037 -0.386 0.000 0.688 1017 A CB 1.912 20.488 19.000 -0.707 0.000 1.282 1017 A HN 0.920 nan 8.150 nan 0.000 0.400 1018 G N -0.352 108.589 108.800 0.234 0.000 2.498 1018 G HA2 0.904 4.864 3.960 -0.000 0.000 0.312 1018 G HA3 0.904 4.864 3.960 -0.000 0.000 0.312 1018 G C -0.536 174.562 174.900 0.330 0.000 1.230 1018 G CA -0.050 45.265 45.100 0.358 0.000 0.968 1018 G HN 1.936 nan 8.290 nan 0.000 0.481 1019 A N -0.231 122.740 122.820 0.253 0.000 2.556 1019 A HA 0.801 5.121 4.320 -0.000 0.000 0.294 1019 A C -1.868 175.776 177.584 0.101 0.000 1.091 1019 A CA -0.599 51.551 52.037 0.188 0.000 0.704 1019 A CB 2.130 21.240 19.000 0.183 0.000 1.300 1019 A HN 1.523 nan 8.150 nan 0.000 0.406 1020 L N 1.529 122.765 121.223 0.021 0.000 2.438 1020 L HA 0.795 5.135 4.340 -0.000 0.000 0.270 1020 L C -1.566 175.179 176.870 -0.209 0.000 0.972 1020 L CA -0.145 54.646 54.840 -0.082 0.000 0.831 1020 L CB 1.300 43.299 42.059 -0.100 0.000 1.273 1020 L HN 0.616 nan 8.230 nan 0.000 0.405 1021 I N 4.558 124.992 120.570 -0.228 0.000 2.545 1021 I HA 0.465 4.635 4.170 -0.000 0.000 0.292 1021 I C -0.985 174.973 176.117 -0.265 0.000 1.040 1021 I CA -0.766 60.398 61.300 -0.227 0.000 1.068 1021 I CB 1.822 39.794 38.000 -0.045 0.000 1.251 1021 I HN 0.547 nan 8.210 nan 0.000 0.424 1022 H N 4.949 123.978 119.070 -0.068 0.000 2.572 1022 H HA 0.538 5.094 4.556 -0.000 0.000 0.359 1022 H C -0.946 174.228 175.328 -0.257 0.000 1.134 1022 H CA -0.812 55.099 56.048 -0.230 0.000 1.187 1022 H CB 2.639 32.132 29.762 -0.449 0.000 1.597 1022 H HN 0.158 nan 8.280 nan 0.000 0.524 1023 V N 4.331 124.174 119.914 -0.119 0.000 2.378 1023 V HA 0.192 4.312 4.120 -0.000 0.000 0.288 1023 V C -0.415 175.567 176.094 -0.186 0.000 1.016 1023 V CA -0.764 61.514 62.300 -0.036 0.000 0.840 1023 V CB 0.286 32.157 31.823 0.079 0.000 0.994 1023 V HN 0.586 nan 8.190 nan 0.000 0.431 1024 Y N 1.938 122.283 120.300 0.074 0.000 2.295 1024 Y HA 0.175 4.725 4.550 -0.000 0.000 0.331 1024 Y C 2.171 178.027 175.900 -0.074 0.000 1.311 1024 Y CA 0.311 58.403 58.100 -0.015 0.000 1.430 1024 Y CB 0.806 39.259 38.460 -0.011 0.000 1.339 1024 Y HN 0.760 nan 8.280 nan 0.000 0.552 1025 T N -3.205 111.345 114.554 -0.007 0.000 3.077 1025 T HA -0.175 4.175 4.350 -0.000 0.000 0.269 1025 T C 0.751 175.408 174.700 -0.072 0.000 1.146 1025 T CA 1.307 63.319 62.100 -0.146 0.000 1.091 1025 T CB -0.389 68.257 68.868 -0.370 0.000 0.892 1025 T HN 0.750 nan 8.240 nan 0.000 0.533 1026 D N 0.248 120.653 120.400 0.008 0.000 2.349 1026 D HA 0.229 4.869 4.640 -0.000 0.000 0.214 1026 D C 1.657 178.001 176.300 0.073 0.000 1.063 1026 D CA 0.481 54.491 54.000 0.018 0.000 0.847 1026 D CB -0.552 40.259 40.800 0.019 0.000 0.933 1026 D HN 0.545 nan 8.370 nan 0.000 0.513 1027 G N 0.620 109.480 108.800 0.099 0.000 2.195 1027 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.246 1027 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.246 1027 G C 0.411 175.567 174.900 0.428 0.000 0.984 1027 G CA 0.391 45.632 45.100 0.235 0.000 0.633 1027 G HN 0.832 nan 8.290 nan 0.000 0.525 1028 S N -0.359 115.513 115.700 0.286 0.000 2.564 1028 S HA 0.629 5.099 4.470 -0.000 0.000 0.278 1028 S C 0.100 174.902 174.600 0.336 0.000 1.333 1028 S CA 0.015 58.378 58.200 0.272 0.000 1.048 1028 S CB 2.300 65.615 63.200 0.191 0.000 0.900 1028 S HN 1.117 nan 8.310 nan 0.000 0.505 1029 V N 3.565 123.649 119.914 0.283 0.000 2.495 1029 V HA 0.510 4.630 4.120 -0.000 0.000 0.298 1029 V C -0.471 175.771 176.094 0.248 0.000 1.031 1029 V CA -0.857 61.592 62.300 0.249 0.000 0.871 1029 V CB 1.326 33.268 31.823 0.198 0.000 0.988 1029 V HN 0.888 nan 8.190 nan 0.000 0.432 1030 L N 6.402 127.771 121.223 0.243 0.000 2.298 1030 L HA 0.675 5.015 4.340 -0.000 0.000 0.284 1030 L C -0.490 176.423 176.870 0.073 0.000 1.013 1030 L CA 0.115 55.099 54.840 0.241 0.000 0.824 1030 L CB 1.539 43.850 42.059 0.421 0.000 1.221 1030 L HN 0.453 nan 8.230 nan 0.000 0.418 1031 V N 3.917 123.849 119.914 0.031 0.000 2.483 1031 V HA 0.701 4.821 4.120 -0.000 0.000 0.295 1031 V C -0.038 176.020 176.094 -0.060 0.000 1.035 1031 V CA -0.394 61.897 62.300 -0.015 0.000 0.896 1031 V CB 1.694 33.533 31.823 0.027 0.000 0.986 1031 V HN 0.837 nan 8.190 nan 0.000 0.447 1032 S N 3.145 118.807 115.700 -0.063 0.000 2.547 1032 S HA 0.791 5.261 4.470 -0.000 0.000 0.281 1032 S C -1.025 173.561 174.600 -0.025 0.000 1.118 1032 S CA -0.601 57.530 58.200 -0.115 0.000 0.947 1032 S CB 0.969 64.101 63.200 -0.114 0.000 1.053 1032 S HN 1.097 nan 8.310 nan 0.000 0.482 1033 H N 0.357 119.374 119.070 -0.089 0.000 2.977 1033 H HA 0.668 5.224 4.556 -0.000 0.000 0.350 1033 H C 1.018 176.220 175.328 -0.210 0.000 1.238 1033 H CA -0.505 55.492 56.048 -0.084 0.000 1.124 1033 H CB 0.646 30.363 29.762 -0.075 0.000 1.866 1033 H HN 0.551 nan 8.280 nan 0.000 0.550 1034 G N -0.265 108.462 108.800 -0.121 0.000 2.598 1034 G HA2 0.145 4.105 3.960 -0.000 0.000 0.215 1034 G HA3 0.145 4.105 3.960 -0.000 0.000 0.215 1034 G C 0.690 175.268 174.900 -0.536 0.000 1.131 1034 G CA 0.207 45.204 45.100 -0.173 0.000 0.785 1034 G HN 0.872 nan 8.290 nan 0.000 0.539 1035 G N -0.232 107.934 108.800 -1.057 0.000 2.507 1035 G HA2 0.466 4.426 3.960 -0.000 0.000 0.271 1035 G HA3 0.466 4.426 3.960 -0.000 0.000 0.271 1035 G C 0.024 174.761 174.900 -0.271 0.000 1.189 1035 G CA 0.387 45.128 45.100 -0.598 0.000 0.859 1035 G HN 0.395 nan 8.290 nan 0.000 0.542 1036 T N -1.712 112.739 114.554 -0.172 0.000 2.912 1036 T HA 0.584 4.934 4.350 -0.000 0.000 0.288 1036 T C -0.599 173.938 174.700 -0.271 0.000 1.030 1036 T CA -0.834 61.163 62.100 -0.173 0.000 1.020 1036 T CB 2.346 71.146 68.868 -0.114 0.000 1.056 1036 T HN 0.455 nan 8.240 nan 0.000 0.480 1037 E N 1.925 121.933 120.200 -0.320 0.000 2.146 1037 E HA 0.447 4.797 4.350 -0.000 0.000 0.282 1037 E C 0.319 176.841 176.600 -0.131 0.000 0.989 1037 E CA -0.719 55.496 56.400 -0.309 0.000 0.799 1037 E CB 0.829 30.339 29.700 -0.316 0.000 1.088 1037 E HN 0.775 nan 8.360 nan 0.000 0.397 1038 M N 2.439 121.966 119.600 -0.120 0.000 2.504 1038 M HA 0.497 4.977 4.480 -0.000 0.000 0.370 1038 M C 0.803 177.044 176.300 -0.100 0.000 1.110 1038 M CA 0.113 55.334 55.300 -0.133 0.000 0.938 1038 M CB 0.804 33.265 32.600 -0.232 0.000 1.460 1038 M HN 0.588 nan 8.290 nan 0.000 0.535 1039 G N 1.699 110.506 108.800 0.013 0.000 2.231 1039 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.206 1039 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.206 1039 G C 0.849 175.818 174.900 0.114 0.000 0.996 1039 G CA 0.368 45.515 45.100 0.078 0.000 0.645 1039 G HN 0.615 nan 8.290 nan 0.000 0.498 1040 Q N 1.574 121.392 119.800 0.029 0.000 2.472 1040 Q HA 0.296 4.636 4.340 -0.000 0.000 0.208 1040 Q C 1.600 177.607 176.000 0.012 0.000 0.958 1040 Q CA 1.480 57.294 55.803 0.017 0.000 0.932 1040 Q CB -0.456 28.264 28.738 -0.031 0.000 1.007 1040 Q HN 1.983 nan 8.270 nan 0.000 0.508 1041 G N 1.763 110.563 108.800 -0.001 0.000 2.182 1041 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.248 1041 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.248 1041 G C 0.307 175.097 174.900 -0.185 0.000 1.042 1041 G CA 0.401 45.383 45.100 -0.198 0.000 0.775 1041 G HN 0.414 nan 8.290 nan 0.000 0.501 1042 L N -0.097 121.019 121.223 -0.179 0.000 2.027 1042 L HA 0.079 4.419 4.340 -0.000 0.000 0.206 1042 L C 2.539 179.352 176.870 -0.094 0.000 1.074 1042 L CA 2.782 57.532 54.840 -0.149 0.000 0.745 1042 L CB -0.495 41.462 42.059 -0.170 0.000 0.898 1042 L HN 0.388 nan 8.230 nan 0.000 0.433 1043 H N -0.814 118.222 119.070 -0.057 0.000 2.387 1043 H HA -0.093 4.463 4.556 -0.000 0.000 0.299 1043 H C 2.157 177.426 175.328 -0.099 0.000 1.090 1043 H CA 1.796 57.825 56.048 -0.032 0.000 1.332 1043 H CB -0.946 28.776 29.762 -0.068 0.000 1.386 1043 H HN 0.365 nan 8.280 nan 0.000 0.516 1044 T N 1.234 115.747 114.554 -0.068 0.000 2.652 1044 T HA -0.136 4.214 4.350 -0.000 0.000 0.267 1044 T C 2.036 176.709 174.700 -0.045 0.000 1.039 1044 T CA 1.528 63.570 62.100 -0.096 0.000 1.153 1044 T CB -0.011 68.735 68.868 -0.203 0.000 0.863 1044 T HN 0.368 nan 8.240 nan 0.000 0.428 1045 K N 0.370 120.737 120.400 -0.055 0.000 2.097 1045 K HA 0.010 4.330 4.320 -0.000 0.000 0.206 1045 K C 2.344 178.939 176.600 -0.010 0.000 1.049 1045 K CA 1.030 57.299 56.287 -0.029 0.000 0.933 1045 K CB -0.145 32.332 32.500 -0.038 0.000 0.717 1045 K HN 0.235 nan 8.250 nan 0.000 0.442 1046 M N 0.364 119.950 119.600 -0.024 0.000 2.229 1046 M HA -0.101 4.379 4.480 -0.000 0.000 0.264 1046 M C 2.210 178.521 176.300 0.017 0.000 1.063 1046 M CA 1.200 56.482 55.300 -0.029 0.000 1.114 1046 M CB -0.567 31.973 32.600 -0.101 0.000 1.387 1046 M HN -0.061 nan 8.290 nan 0.000 0.420 1047 V N 0.142 120.068 119.914 0.020 0.000 2.453 1047 V HA -0.238 3.882 4.120 -0.000 0.000 0.247 1047 V C 2.370 178.478 176.094 0.024 0.000 1.048 1047 V CA 1.388 63.702 62.300 0.022 0.000 1.049 1047 V CB -0.620 31.212 31.823 0.016 0.000 0.672 1047 V HN 0.497 nan 8.190 nan 0.000 0.457 1048 Q N -0.582 119.230 119.800 0.021 0.000 2.050 1048 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 1048 Q C 2.372 178.405 176.000 0.055 0.000 0.980 1048 Q CA 1.880 57.696 55.803 0.022 0.000 0.840 1048 Q CB -0.333 28.413 28.738 0.013 0.000 0.898 1048 Q HN 0.517 nan 8.270 nan 0.000 0.424 1049 V N 0.925 120.901 119.914 0.104 0.000 2.295 1049 V HA -0.300 3.819 4.120 -0.000 0.000 0.246 1049 V C 2.274 178.487 176.094 0.199 0.000 1.049 1049 V CA 1.911 64.348 62.300 0.230 0.000 1.024 1049 V CB -0.975 30.961 31.823 0.189 0.000 0.648 1049 V HN 0.425 nan 8.190 nan 0.000 0.447 1050 A N -0.647 122.236 122.820 0.105 0.000 1.902 1050 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 1050 A C 2.576 180.175 177.584 0.025 0.000 1.181 1050 A CA 2.332 54.409 52.037 0.067 0.000 0.623 1050 A CB -0.843 18.181 19.000 0.040 0.000 0.818 1050 A HN 0.523 nan 8.150 nan 0.000 0.443 1051 S N -0.519 115.184 115.700 0.004 0.000 2.368 1051 S HA -0.225 4.245 4.470 -0.000 0.000 0.225 1051 S C 2.137 176.714 174.600 -0.037 0.000 1.030 1051 S CA 1.969 60.142 58.200 -0.046 0.000 0.999 1051 S CB -0.329 62.849 63.200 -0.038 0.000 0.844 1051 S HN 0.606 nan 8.310 nan 0.000 0.459 1052 K N 0.450 120.851 120.400 0.002 0.000 2.025 1052 K HA -0.021 4.299 4.320 -0.000 0.000 0.207 1052 K C 2.303 178.937 176.600 0.056 0.000 1.049 1052 K CA 1.175 57.452 56.287 -0.017 0.000 0.933 1052 K CB -0.601 31.826 32.500 -0.121 0.000 0.714 1052 K HN 0.412 nan 8.250 nan 0.000 0.438 1053 A N 1.316 124.231 122.820 0.158 0.000 1.883 1053 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 1053 A C 2.069 179.677 177.584 0.040 0.000 1.186 1053 A CA 1.435 53.565 52.037 0.155 0.000 0.624 1053 A CB -0.608 18.470 19.000 0.130 0.000 0.822 1053 A HN 0.347 nan 8.150 nan 0.000 0.444 1054 L N -1.892 119.325 121.223 -0.009 0.000 2.492 1054 L HA 0.024 4.364 4.340 -0.000 0.000 0.223 1054 L C 0.298 177.113 176.870 -0.092 0.000 1.132 1054 L CA 0.525 55.329 54.840 -0.060 0.000 0.850 1054 L CB -0.208 41.735 42.059 -0.194 0.000 0.966 1054 L HN 0.371 nan 8.230 nan 0.000 0.454 1055 K N 1.184 121.543 120.400 -0.069 0.000 3.162 1055 K HA -0.175 4.145 4.320 -0.000 0.000 0.268 1055 K C -0.456 176.070 176.600 -0.124 0.000 1.062 1055 K CA 0.579 56.837 56.287 -0.049 0.000 0.769 1055 K CB -1.716 30.805 32.500 0.034 0.000 1.274 1055 K HN 0.514 nan 8.250 nan 0.000 0.478 1056 I N -4.717 115.715 120.570 -0.231 0.000 2.969 1056 I HA 0.654 4.824 4.170 -0.000 0.000 0.307 1056 I C -2.772 173.226 176.117 -0.198 0.000 1.149 1056 I CA -3.266 57.844 61.300 -0.315 0.000 1.008 1056 I CB 2.453 40.023 38.000 -0.715 0.000 1.232 1056 I HN -0.293 nan 8.210 nan 0.000 0.435 1057 P HA 0.205 nan 4.420 nan 0.000 0.269 1057 P C 1.058 178.314 177.300 -0.073 0.000 1.209 1057 P CA -0.276 62.774 63.100 -0.084 0.000 0.776 1057 P CB 0.560 32.225 31.700 -0.058 0.000 0.876 1058 I N 0.138 120.687 120.570 -0.035 0.000 2.567 1058 I HA -0.215 3.955 4.170 -0.000 0.000 0.257 1058 I C 1.579 177.704 176.117 0.013 0.000 1.184 1058 I CA 1.767 63.061 61.300 -0.010 0.000 1.451 1058 I CB -0.988 37.018 38.000 0.010 0.000 1.089 1058 I HN 0.233 nan 8.210 nan 0.000 0.441 1059 S N 1.370 117.074 115.700 0.007 0.000 2.469 1059 S HA -0.095 4.375 4.470 -0.000 0.000 0.238 1059 S C 1.711 176.327 174.600 0.026 0.000 0.998 1059 S CA 0.738 58.951 58.200 0.022 0.000 0.957 1059 S CB -0.490 62.717 63.200 0.012 0.000 0.764 1059 S HN 0.623 nan 8.310 nan 0.000 0.514 1060 K N 0.339 120.742 120.400 0.004 0.000 2.374 1060 K HA 0.390 4.710 4.320 -0.000 0.000 0.196 1060 K C -0.164 176.476 176.600 0.068 0.000 1.023 1060 K CA 0.092 56.394 56.287 0.025 0.000 1.103 1060 K CB 0.192 32.672 32.500 -0.033 0.000 0.848 1060 K HN 0.458 nan 8.250 nan 0.000 0.528 1061 I N 0.243 120.856 120.570 0.072 0.000 2.530 1061 I HA 0.300 4.470 4.170 -0.000 0.000 0.297 1061 I C -1.106 175.130 176.117 0.199 0.000 1.011 1061 I CA -1.300 60.067 61.300 0.111 0.000 1.107 1061 I CB 1.395 39.425 38.000 0.049 0.000 1.285 1061 I HN -0.124 nan 8.210 nan 0.000 0.436 1062 Y N 5.826 126.147 120.300 0.036 0.000 2.513 1062 Y HA 0.625 5.175 4.550 -0.000 0.000 0.340 1062 Y C -1.440 174.455 175.900 -0.009 0.000 1.055 1062 Y CA -0.915 57.195 58.100 0.017 0.000 1.020 1062 Y CB 1.734 40.211 38.460 0.027 0.000 1.301 1062 Y HN 0.337 nan 8.280 nan 0.000 0.453 1063 I N 4.607 124.762 120.570 -0.692 0.000 2.410 1063 I HA 0.235 4.405 4.170 -0.000 0.000 0.286 1063 I C 0.344 175.892 176.117 -0.949 0.000 1.009 1063 I CA -0.309 60.614 61.300 -0.630 0.000 1.111 1063 I CB 2.069 39.732 38.000 -0.561 0.000 1.262 1063 I HN 0.721 nan 8.210 nan 0.000 0.443 1064 S N 5.276 120.629 115.700 -0.579 0.000 2.387 1064 S HA 0.120 4.590 4.470 -0.000 0.000 0.221 1064 S C 0.438 174.883 174.600 -0.259 0.000 1.041 1064 S CA 0.779 58.775 58.200 -0.341 0.000 0.959 1064 S CB 0.294 63.503 63.200 0.014 0.000 0.843 1064 S HN 0.826 nan 8.310 nan 0.000 0.488 1065 E N -1.300 118.747 120.200 -0.256 0.000 2.402 1065 E HA 0.373 4.723 4.350 -0.000 0.000 0.270 1065 E C -1.671 174.805 176.600 -0.206 0.000 1.131 1065 E CA -0.988 55.307 56.400 -0.176 0.000 0.884 1065 E CB 0.756 30.421 29.700 -0.058 0.000 1.564 1065 E HN 0.003 nan 8.360 nan 0.000 0.456 1066 T N 1.073 115.548 114.554 -0.133 0.000 2.797 1066 T HA 0.648 4.998 4.350 -0.000 0.000 0.279 1066 T C -0.947 173.689 174.700 -0.107 0.000 0.991 1066 T CA -0.527 61.477 62.100 -0.161 0.000 0.979 1066 T CB 1.203 69.981 68.868 -0.150 0.000 0.943 1066 T HN 0.593 nan 8.240 nan 0.000 0.444 1067 S N 0.158 115.798 115.700 -0.100 0.000 2.536 1067 S HA 0.398 4.868 4.470 -0.000 0.000 0.271 1067 S C 1.022 175.586 174.600 -0.059 0.000 1.134 1067 S CA -0.652 57.502 58.200 -0.077 0.000 0.897 1067 S CB 1.331 64.495 63.200 -0.061 0.000 1.094 1067 S HN 0.723 nan 8.310 nan 0.000 0.473 1068 T N -0.887 113.631 114.554 -0.059 0.000 3.007 1068 T HA -0.104 4.246 4.350 -0.000 0.000 0.270 1068 T C 1.129 175.815 174.700 -0.023 0.000 1.107 1068 T CA 1.347 63.423 62.100 -0.040 0.000 1.118 1068 T CB -0.777 68.063 68.868 -0.047 0.000 0.889 1068 T HN 0.757 nan 8.240 nan 0.000 0.506 1069 N N 1.405 120.091 118.700 -0.023 0.000 2.270 1069 N HA 0.006 4.746 4.740 -0.000 0.000 0.198 1069 N C 1.242 176.761 175.510 0.015 0.000 1.117 1069 N CA 0.791 53.838 53.050 -0.005 0.000 0.845 1069 N CB -0.207 38.275 38.487 -0.008 0.000 0.980 1069 N HN 0.652 nan 8.380 nan 0.000 0.486 1070 T N -3.293 111.267 114.554 0.010 0.000 3.085 1070 T HA 0.281 4.631 4.350 -0.000 0.000 0.241 1070 T C 0.394 175.108 174.700 0.024 0.000 0.988 1070 T CA 0.049 62.164 62.100 0.025 0.000 1.117 1070 T CB -0.009 68.863 68.868 0.007 0.000 0.978 1070 T HN -0.106 nan 8.240 nan 0.000 0.454 1071 V N 4.727 124.651 119.914 0.016 0.000 2.447 1071 V HA 0.520 4.640 4.120 -0.000 0.000 0.292 1071 V C -2.532 173.590 176.094 0.046 0.000 1.021 1071 V CA -1.904 60.426 62.300 0.049 0.000 0.850 1071 V CB 1.936 33.797 31.823 0.063 0.000 1.005 1071 V HN 0.362 nan 8.190 nan 0.000 0.426 1072 P HA 0.371 nan 4.420 nan 0.000 0.281 1072 P C -0.284 177.054 177.300 0.064 0.000 1.281 1072 P CA -0.429 62.695 63.100 0.039 0.000 0.811 1072 P CB 0.685 32.399 31.700 0.023 0.000 1.154 1073 N N -1.802 116.922 118.700 0.040 0.000 2.716 1073 N HA -0.137 4.603 4.740 -0.000 0.000 0.250 1073 N C -0.100 175.458 175.510 0.080 0.000 1.033 1073 N CA 0.998 54.078 53.050 0.048 0.000 0.727 1073 N CB -2.175 36.343 38.487 0.052 0.000 0.950 1073 N HN 0.596 nan 8.380 nan 0.000 0.541 1074 S N -1.787 113.958 115.700 0.075 0.000 2.565 1074 S HA 0.503 4.973 4.470 -0.000 0.000 0.274 1074 S C 0.633 175.269 174.600 0.059 0.000 1.309 1074 S CA -0.699 57.569 58.200 0.114 0.000 1.043 1074 S CB 1.916 65.194 63.200 0.129 0.000 0.939 1074 S HN 0.186 nan 8.310 nan 0.000 0.504 1075 S N 3.759 119.487 115.700 0.047 0.000 2.603 1075 S HA 0.394 4.864 4.470 -0.000 0.000 0.268 1075 S C -2.061 172.555 174.600 0.027 0.000 1.317 1075 S CA -0.903 57.245 58.200 -0.086 0.000 1.012 1075 S CB -0.015 63.001 63.200 -0.307 0.000 0.926 1075 S HN 0.739 nan 8.310 nan 0.000 0.539 1076 P HA 0.055 nan 4.420 nan 0.000 0.269 1076 P C -0.735 176.689 177.300 0.207 0.000 1.215 1076 P CA -0.182 62.965 63.100 0.079 0.000 0.780 1076 P CB 0.045 31.784 31.700 0.065 0.000 0.898 1077 T N 1.689 116.332 114.554 0.148 0.000 2.848 1077 T HA 0.475 4.825 4.350 -0.000 0.000 0.283 1077 T C 0.310 175.086 174.700 0.127 0.000 0.919 1077 T CA 0.410 62.611 62.100 0.167 0.000 1.071 1077 T CB -0.598 68.303 68.868 0.055 0.000 0.912 1077 T HN 0.642 nan 8.240 nan 0.000 0.570 1078 A N 2.348 125.261 122.820 0.155 0.000 2.483 1078 A HA 0.845 5.165 4.320 -0.000 0.000 0.306 1078 A C 0.582 177.975 177.584 -0.319 0.000 1.137 1078 A CA -0.227 51.806 52.037 -0.008 0.000 0.626 1078 A CB -0.095 18.945 19.000 0.067 0.000 1.352 1078 A HN 1.530 nan 8.150 nan 0.000 0.508 1079 A N -1.238 121.322 122.820 -0.432 0.000 2.945 1079 A HA 0.041 4.361 4.320 -0.000 0.000 0.263 1079 A C 1.282 178.679 177.584 -0.312 0.000 1.293 1079 A CA 1.863 53.552 52.037 -0.579 0.000 0.944 1079 A CB -2.476 15.698 19.000 -1.378 0.000 1.093 1079 A HN 2.524 nan 8.150 nan 0.000 0.786 1080 S N -4.421 111.171 115.700 -0.179 0.000 3.146 1080 S HA -0.343 4.127 4.470 -0.000 0.000 0.285 1080 S C 1.120 175.659 174.600 -0.102 0.000 1.293 1080 S CA 1.956 60.096 58.200 -0.099 0.000 1.137 1080 S CB -2.362 60.801 63.200 -0.061 0.000 1.357 1080 S HN 2.332 nan 8.310 nan 0.000 0.678 1081 V N -1.944 117.871 119.914 -0.165 0.000 3.647 1081 V HA 0.278 4.398 4.120 -0.000 0.000 0.279 1081 V C 1.650 177.713 176.094 -0.053 0.000 1.314 1081 V CA 0.903 63.131 62.300 -0.119 0.000 1.125 1081 V CB 0.277 31.990 31.823 -0.184 0.000 0.907 1081 V HN 0.367 nan 8.190 nan 0.000 0.434 1082 S N 1.847 117.558 115.700 0.019 0.000 2.365 1082 S HA -0.226 4.244 4.470 -0.000 0.000 0.225 1082 S C 1.976 176.653 174.600 0.128 0.000 1.039 1082 S CA 2.457 60.762 58.200 0.176 0.000 1.033 1082 S CB -0.650 62.692 63.200 0.237 0.000 0.887 1082 S HN 0.772 nan 8.310 nan 0.000 0.447 1083 T N 2.069 116.645 114.554 0.037 0.000 2.746 1083 T HA -0.110 4.240 4.350 -0.000 0.000 0.267 1083 T C 1.424 176.092 174.700 -0.055 0.000 1.039 1083 T CA 1.587 63.682 62.100 -0.008 0.000 1.142 1083 T CB -0.618 68.242 68.868 -0.013 0.000 0.866 1083 T HN 0.324 nan 8.240 nan 0.000 0.444 1084 D N 1.284 121.653 120.400 -0.052 0.000 2.087 1084 D HA -0.082 4.558 4.640 -0.000 0.000 0.192 1084 D C 2.147 178.320 176.300 -0.211 0.000 0.993 1084 D CA 1.219 55.165 54.000 -0.091 0.000 0.828 1084 D CB -0.387 40.420 40.800 0.012 0.000 0.968 1084 D HN 0.565 nan 8.370 nan 0.000 0.448 1085 I N -2.565 117.892 120.570 -0.187 0.000 2.400 1085 I HA -0.130 4.040 4.170 -0.000 0.000 0.248 1085 I C 1.765 177.683 176.117 -0.332 0.000 1.109 1085 I CA 0.976 62.136 61.300 -0.233 0.000 1.425 1085 I CB -0.664 37.192 38.000 -0.241 0.000 1.094 1085 I HN -0.035 nan 8.210 nan 0.000 0.425 1086 Y N 2.292 122.539 120.300 -0.089 0.000 2.373 1086 Y HA 0.099 4.649 4.550 -0.000 0.000 0.293 1086 Y C 2.800 178.597 175.900 -0.173 0.000 1.129 1086 Y CA 0.936 58.963 58.100 -0.122 0.000 1.226 1086 Y CB -0.483 37.856 38.460 -0.201 0.000 1.000 1086 Y HN 0.229 nan 8.280 nan 0.000 0.549 1087 G N -0.454 108.294 108.800 -0.086 0.000 2.422 1087 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.218 1087 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.218 1087 G C 1.483 176.282 174.900 -0.168 0.000 1.146 1087 G CA 0.876 45.902 45.100 -0.123 0.000 0.769 1087 G HN 0.264 nan 8.290 nan 0.000 0.547 1088 Q N 0.470 120.086 119.800 -0.307 0.000 2.083 1088 Q HA 0.207 4.547 4.340 -0.000 0.000 0.198 1088 Q C 2.739 178.687 176.000 -0.087 0.000 0.969 1088 Q CA 1.653 57.227 55.803 -0.382 0.000 0.838 1088 Q CB -0.531 27.595 28.738 -1.020 0.000 0.900 1088 Q HN 0.361 nan 8.270 nan 0.000 0.436 1089 A N -0.688 122.111 122.820 -0.036 0.000 1.902 1089 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 1089 A C 2.251 179.897 177.584 0.104 0.000 1.181 1089 A CA 1.659 53.746 52.037 0.082 0.000 0.623 1089 A CB -0.868 18.203 19.000 0.118 0.000 0.818 1089 A HN 0.263 nan 8.150 nan 0.000 0.443 1090 V N -1.428 118.537 119.914 0.084 0.000 2.343 1090 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 1090 V C 2.335 178.479 176.094 0.084 0.000 1.051 1090 V CA 2.113 64.461 62.300 0.079 0.000 1.036 1090 V CB -0.996 30.858 31.823 0.051 0.000 0.654 1090 V HN 0.719 nan 8.190 nan 0.000 0.451 1091 Y N 1.252 121.522 120.300 -0.050 0.000 2.128 1091 Y HA -0.238 4.312 4.550 -0.000 0.000 0.284 1091 Y C 2.639 178.532 175.900 -0.013 0.000 1.154 1091 Y CA 2.069 60.135 58.100 -0.057 0.000 1.149 1091 Y CB -0.105 38.252 38.460 -0.173 0.000 0.976 1091 Y HN 0.229 nan 8.280 nan 0.000 0.505 1092 E N 0.333 120.592 120.200 0.098 0.000 2.077 1092 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 1092 E C 2.406 179.000 176.600 -0.010 0.000 0.989 1092 E CA 1.132 57.556 56.400 0.041 0.000 0.800 1092 E CB -0.759 29.025 29.700 0.140 0.000 0.746 1092 E HN 0.596 nan 8.360 nan 0.000 0.452 1093 A N 0.696 123.531 122.820 0.025 0.000 1.902 1093 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 1093 A C 2.626 180.209 177.584 -0.003 0.000 1.181 1093 A CA 1.428 53.481 52.037 0.027 0.000 0.623 1093 A CB -0.891 18.136 19.000 0.044 0.000 0.818 1093 A HN 0.347 nan 8.150 nan 0.000 0.443 1094 C N -0.796 118.479 119.300 -0.041 0.000 2.425 1094 C HA -0.091 4.369 4.460 -0.000 0.000 0.277 1094 C C 2.887 177.828 174.990 -0.082 0.000 1.280 1094 C CA 1.088 60.080 59.018 -0.044 0.000 1.744 1094 C CB -1.031 26.665 27.740 -0.073 0.000 1.989 1094 C HN 0.595 nan 8.230 nan 0.000 0.491 1095 Q N 0.401 120.083 119.800 -0.197 0.000 2.084 1095 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 1095 Q C 2.234 178.203 176.000 -0.052 0.000 0.978 1095 Q CA 1.949 57.649 55.803 -0.171 0.000 0.844 1095 Q CB -1.194 27.405 28.738 -0.232 0.000 0.898 1095 Q HN 0.637 nan 8.270 nan 0.000 0.426 1096 T N 1.928 116.467 114.554 -0.024 0.000 2.746 1096 T HA -0.085 4.265 4.350 -0.000 0.000 0.267 1096 T C 1.896 176.615 174.700 0.031 0.000 1.039 1096 T CA 0.799 62.906 62.100 0.012 0.000 1.142 1096 T CB -0.068 68.815 68.868 0.024 0.000 0.866 1096 T HN 0.109 nan 8.240 nan 0.000 0.444 1097 I N 1.212 121.810 120.570 0.047 0.000 2.179 1097 I HA -0.096 4.073 4.170 -0.000 0.000 0.242 1097 I C 2.386 178.562 176.117 0.098 0.000 1.088 1097 I CA 1.315 62.667 61.300 0.085 0.000 1.357 1097 I CB -1.325 36.760 38.000 0.142 0.000 1.051 1097 I HN 0.280 nan 8.210 nan 0.000 0.409 1098 L N 0.346 121.626 121.223 0.096 0.000 2.042 1098 L HA -0.248 4.092 4.340 -0.000 0.000 0.210 1098 L C 2.582 179.476 176.870 0.041 0.000 1.076 1098 L CA 1.310 56.205 54.840 0.091 0.000 0.749 1098 L CB -0.657 41.437 42.059 0.059 0.000 0.893 1098 L HN 0.186 nan 8.230 nan 0.000 0.432 1099 K N 0.749 121.163 120.400 0.024 0.000 2.057 1099 K HA -0.164 4.156 4.320 -0.000 0.000 0.207 1099 K C 2.131 178.745 176.600 0.024 0.000 1.049 1099 K CA 1.523 57.816 56.287 0.011 0.000 0.931 1099 K CB -0.088 32.418 32.500 0.009 0.000 0.714 1099 K HN 0.147 nan 8.250 nan 0.000 0.440 1100 R N -0.273 120.258 120.500 0.051 0.000 2.148 1100 R HA 0.045 4.385 4.340 -0.000 0.000 0.223 1100 R C 2.090 178.489 176.300 0.165 0.000 1.088 1100 R CA 1.196 57.350 56.100 0.090 0.000 0.985 1100 R CB -0.171 30.175 30.300 0.078 0.000 0.880 1100 R HN 0.203 nan 8.270 nan 0.000 0.451 1101 L N 0.269 121.562 121.223 0.117 0.000 2.446 1101 L HA -0.001 4.339 4.340 -0.000 0.000 0.219 1101 L C 2.205 179.107 176.870 0.054 0.000 1.116 1101 L CA 0.219 55.151 54.840 0.154 0.000 0.844 1101 L CB -0.212 41.869 42.059 0.037 0.000 0.970 1101 L HN 0.061 nan 8.230 nan 0.000 0.457 1102 E N 1.037 121.215 120.200 -0.036 0.000 2.086 1102 E HA -0.233 4.116 4.350 -0.000 0.000 0.205 1102 E C -0.282 176.193 176.600 -0.208 0.000 1.027 1102 E CA 1.997 58.315 56.400 -0.137 0.000 0.830 1102 E CB -1.341 28.303 29.700 -0.094 0.000 0.751 1102 E HN 0.330 nan 8.360 nan 0.000 0.456 1103 P HA -0.134 nan 4.420 nan 0.000 0.216 1103 P C 1.215 178.199 177.300 -0.526 0.000 1.150 1103 P CA 1.271 64.109 63.100 -0.436 0.000 0.837 1103 P CB -0.231 31.098 31.700 -0.619 0.000 0.786 1104 F N -0.381 119.479 119.950 -0.151 0.000 2.367 1104 F HA 0.022 4.549 4.527 -0.000 0.000 0.298 1104 F C 2.378 177.999 175.800 -0.299 0.000 1.094 1104 F CA 0.943 58.868 58.000 -0.126 0.000 1.409 1104 F CB -0.625 38.350 39.000 -0.042 0.000 1.064 1104 F HN -0.169 nan 8.300 nan 0.000 0.528 1105 K N 1.170 121.275 120.400 -0.491 0.000 2.031 1105 K HA -0.143 4.177 4.320 -0.000 0.000 0.205 1105 K C 1.929 178.308 176.600 -0.368 0.000 1.049 1105 K CA 1.234 56.936 56.287 -0.974 0.000 0.939 1105 K CB -0.017 31.823 32.500 -1.100 0.000 0.717 1105 K HN 0.134 nan 8.250 nan 0.000 0.438 1106 K N 0.779 121.025 120.400 -0.257 0.000 2.063 1106 K HA -0.183 4.137 4.320 -0.000 0.000 0.208 1106 K C 2.208 178.764 176.600 -0.073 0.000 1.048 1106 K CA 1.490 57.693 56.287 -0.140 0.000 0.928 1106 K CB -0.092 32.324 32.500 -0.140 0.000 0.713 1106 K HN 0.109 nan 8.250 nan 0.000 0.442 1107 K N 0.908 121.261 120.400 -0.078 0.000 2.097 1107 K HA -0.139 4.181 4.320 -0.000 0.000 0.205 1107 K C 0.433 177.076 176.600 0.071 0.000 1.050 1107 K CA 1.205 57.484 56.287 -0.013 0.000 0.938 1107 K CB 0.110 32.596 32.500 -0.024 0.000 0.718 1107 K HN -0.030 nan 8.250 nan 0.000 0.442 1108 N N 0.046 118.832 118.700 0.144 0.000 2.765 1108 N HA 0.220 4.960 4.740 -0.000 0.000 0.277 1108 N C -2.467 173.280 175.510 0.395 0.000 1.750 1108 N CA -1.904 51.302 53.050 0.261 0.000 0.827 1108 N CB 1.390 40.080 38.487 0.338 0.000 1.200 1108 N HN -0.128 nan 8.380 nan 0.000 0.494 1109 P HA -0.126 nan 4.420 nan 0.000 0.216 1109 P C 0.225 177.735 177.300 0.351 0.000 1.154 1109 P CA 1.308 64.557 63.100 0.249 0.000 0.865 1109 P CB 0.282 32.058 31.700 0.127 0.000 0.789 1110 D N -1.196 119.350 120.400 0.245 0.000 2.340 1110 D HA 0.073 4.713 4.640 -0.000 0.000 0.220 1110 D C 1.309 177.685 176.300 0.127 0.000 1.039 1110 D CA 0.362 54.466 54.000 0.174 0.000 0.866 1110 D CB -0.181 40.682 40.800 0.104 0.000 0.913 1110 D HN 0.137 nan 8.370 nan 0.000 0.523 1111 G N 0.679 109.600 108.800 0.202 0.000 2.651 1111 G HA2 0.284 4.244 3.960 -0.000 0.000 0.260 1111 G HA3 0.284 4.244 3.960 -0.000 0.000 0.260 1111 G C 0.324 174.897 174.900 -0.545 0.000 1.216 1111 G CA -0.275 44.777 45.100 -0.081 0.000 0.913 1111 G HN 0.173 nan 8.290 nan 0.000 0.535 1112 S N -1.038 114.240 115.700 -0.704 0.000 2.722 1112 S HA 0.231 4.701 4.470 -0.000 0.000 0.292 1112 S C 1.020 174.987 174.600 -1.054 0.000 1.135 1112 S CA -0.593 57.179 58.200 -0.714 0.000 1.003 1112 S CB 1.350 64.368 63.200 -0.303 0.000 1.067 1112 S HN 0.815 nan 8.310 nan 0.000 0.546 1113 W N 1.505 122.346 121.300 -0.765 0.000 2.318 1113 W HA -0.215 4.445 4.660 -0.000 0.000 0.313 1113 W C 1.096 177.498 176.519 -0.195 0.000 1.221 1113 W CA 2.362 59.496 57.345 -0.352 0.000 1.266 1113 W CB -0.523 28.883 29.460 -0.091 0.000 1.150 1113 W HN 0.848 nan 8.180 nan 0.000 0.496 1114 E N 0.815 120.928 120.200 -0.144 0.000 2.085 1114 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 1114 E C 1.682 178.149 176.600 -0.223 0.000 0.994 1114 E CA 2.037 58.333 56.400 -0.172 0.000 0.801 1114 E CB -0.728 28.941 29.700 -0.051 0.000 0.743 1114 E HN 0.227 nan 8.360 nan 0.000 0.453 1115 D N -0.549 119.689 120.400 -0.270 0.000 2.097 1115 D HA -0.154 4.486 4.640 -0.000 0.000 0.195 1115 D C 1.682 177.937 176.300 -0.076 0.000 0.989 1115 D CA 0.831 54.720 54.000 -0.185 0.000 0.827 1115 D CB -0.279 40.392 40.800 -0.215 0.000 0.966 1115 D HN 0.291 nan 8.370 nan 0.000 0.456 1116 W N 1.229 122.455 121.300 -0.124 0.000 2.358 1116 W HA -0.071 4.589 4.660 -0.000 0.000 0.303 1116 W C 2.368 178.680 176.519 -0.345 0.000 1.208 1116 W CA 0.100 57.350 57.345 -0.158 0.000 1.274 1116 W CB -1.346 28.047 29.460 -0.112 0.000 1.138 1116 W HN -0.129 nan 8.180 nan 0.000 0.515 1117 V N 0.698 120.456 119.914 -0.260 0.000 2.295 1117 V HA -0.329 3.791 4.120 -0.000 0.000 0.246 1117 V C 2.281 178.244 176.094 -0.219 0.000 1.049 1117 V CA 2.265 64.348 62.300 -0.362 0.000 1.024 1117 V CB -0.947 30.573 31.823 -0.505 0.000 0.648 1117 V HN 0.046 nan 8.190 nan 0.000 0.447 1118 M N 0.739 120.247 119.600 -0.154 0.000 2.175 1118 M HA -0.019 4.461 4.480 -0.000 0.000 0.264 1118 M C 1.992 178.249 176.300 -0.072 0.000 1.063 1118 M CA 1.979 57.243 55.300 -0.060 0.000 1.119 1118 M CB -0.774 31.801 32.600 -0.042 0.000 1.377 1118 M HN 0.257 nan 8.290 nan 0.000 0.415 1119 A N -0.298 122.432 122.820 -0.151 0.000 1.902 1119 A HA 0.069 4.389 4.320 -0.000 0.000 0.217 1119 A C 2.376 179.578 177.584 -0.637 0.000 1.181 1119 A CA 1.967 53.871 52.037 -0.221 0.000 0.623 1119 A CB -1.411 17.564 19.000 -0.041 0.000 0.818 1119 A HN 0.612 nan 8.150 nan 0.000 0.443 1120 A N -1.291 120.941 122.820 -0.979 0.000 1.877 1120 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 1120 A C 2.157 179.481 177.584 -0.434 0.000 1.186 1120 A CA 1.761 53.119 52.037 -1.132 0.000 0.620 1120 A CB -0.902 17.660 19.000 -0.730 0.000 0.822 1120 A HN 0.771 nan 8.150 nan 0.000 0.443 1121 Y N 0.497 120.601 120.300 -0.326 0.000 2.097 1121 Y HA -0.249 4.301 4.550 -0.000 0.000 0.282 1121 Y C 2.476 178.296 175.900 -0.133 0.000 1.152 1121 Y CA 2.326 60.318 58.100 -0.179 0.000 1.136 1121 Y CB -0.325 38.054 38.460 -0.135 0.000 0.975 1121 Y HN 0.314 nan 8.280 nan 0.000 0.498 1122 Q N -0.242 119.403 119.800 -0.258 0.000 2.226 1122 Q HA -0.195 4.145 4.340 -0.000 0.000 0.204 1122 Q C 1.239 177.111 176.000 -0.214 0.000 0.975 1122 Q CA 1.814 57.465 55.803 -0.253 0.000 0.866 1122 Q CB -0.455 28.243 28.738 -0.066 0.000 0.915 1122 Q HN 0.568 nan 8.270 nan 0.000 0.440 1123 D N -0.237 120.059 120.400 -0.173 0.000 2.328 1123 D HA 0.056 4.696 4.640 -0.000 0.000 0.221 1123 D C -0.441 175.820 176.300 -0.066 0.000 1.072 1123 D CA -0.092 53.888 54.000 -0.034 0.000 0.850 1123 D CB 0.136 41.057 40.800 0.202 0.000 0.922 1123 D HN 0.043 nan 8.370 nan 0.000 0.516 1124 R N -0.710 119.674 120.500 -0.194 0.000 3.267 1124 R HA -0.124 4.216 4.340 -0.000 0.000 0.254 1124 R C -1.055 175.203 176.300 -0.070 0.000 0.993 1124 R CA 0.051 56.050 56.100 -0.168 0.000 0.670 1124 R CB -2.090 28.135 30.300 -0.125 0.000 1.125 1124 R HN 0.020 nan 8.270 nan 0.000 0.434 1125 V N 0.865 120.740 119.914 -0.065 0.000 2.398 1125 V HA 0.215 4.335 4.120 -0.000 0.000 0.286 1125 V C 0.804 176.893 176.094 -0.009 0.000 1.026 1125 V CA -0.387 61.914 62.300 0.001 0.000 0.868 1125 V CB 1.855 33.707 31.823 0.049 0.000 0.982 1125 V HN 0.375 nan 8.190 nan 0.000 0.443 1126 S N 4.743 120.450 115.700 0.012 0.000 2.537 1126 S HA 0.253 4.723 4.470 -0.000 0.000 0.286 1126 S C 0.424 175.037 174.600 0.022 0.000 1.299 1126 S CA -0.214 57.999 58.200 0.021 0.000 1.067 1126 S CB 0.087 63.302 63.200 0.025 0.000 0.864 1126 S HN 0.596 nan 8.310 nan 0.000 0.494 1127 L N 4.184 125.419 121.223 0.020 0.000 2.928 1127 L HA 0.334 4.674 4.340 -0.000 0.000 0.246 1127 L C 0.482 177.371 176.870 0.032 0.000 1.239 1127 L CA -0.219 54.626 54.840 0.008 0.000 1.035 1127 L CB 0.359 42.403 42.059 -0.024 0.000 1.360 1127 L HN 0.531 nan 8.230 nan 0.000 0.529 1128 S N -0.497 115.241 115.700 0.062 0.000 2.538 1128 S HA 0.727 5.197 4.470 -0.000 0.000 0.288 1128 S C -0.611 174.046 174.600 0.094 0.000 1.108 1128 S CA -0.277 58.007 58.200 0.140 0.000 0.971 1128 S CB 2.016 65.335 63.200 0.197 0.000 1.041 1128 S HN 0.116 nan 8.310 nan 0.000 0.483 1129 T N 1.913 116.510 114.554 0.072 0.000 2.840 1129 T HA 0.630 4.980 4.350 -0.000 0.000 0.317 1129 T C -0.556 174.165 174.700 0.035 0.000 1.401 1129 T CA -0.284 61.847 62.100 0.051 0.000 1.028 1129 T CB 1.380 70.275 68.868 0.045 0.000 1.317 1129 T HN 0.862 nan 8.240 nan 0.000 0.495 1130 T N 0.158 114.742 114.554 0.050 0.000 2.897 1130 T HA 0.845 5.195 4.350 -0.000 0.000 0.278 1130 T C 0.390 175.147 174.700 0.095 0.000 0.981 1130 T CA -0.416 61.725 62.100 0.068 0.000 0.973 1130 T CB 1.381 70.293 68.868 0.074 0.000 1.092 1130 T HN 0.996 nan 8.240 nan 0.000 0.543 1131 G N -0.348 108.539 108.800 0.145 0.000 2.667 1131 G HA2 0.634 4.594 3.960 -0.000 0.000 0.298 1131 G HA3 0.634 4.594 3.960 -0.000 0.000 0.298 1131 G C -2.159 172.919 174.900 0.296 0.000 1.377 1131 G CA -0.778 44.428 45.100 0.176 0.000 0.964 1131 G HN 0.715 nan 8.290 nan 0.000 0.493 1132 F N 0.868 120.878 119.950 0.101 0.000 2.641 1132 F HA 0.746 5.272 4.527 -0.000 0.000 0.308 1132 F C -1.988 173.912 175.800 0.167 0.000 1.105 1132 F CA -1.141 56.924 58.000 0.109 0.000 0.964 1132 F CB 2.363 41.402 39.000 0.066 0.000 1.294 1132 F HN 0.593 nan 8.300 nan 0.000 0.442 1133 Y N 4.485 124.385 120.300 -0.666 0.000 2.513 1133 Y HA 0.613 5.163 4.550 -0.000 0.000 0.340 1133 Y C -1.586 173.942 175.900 -0.620 0.000 1.055 1133 Y CA -1.091 56.745 58.100 -0.440 0.000 1.020 1133 Y CB 1.537 39.816 38.460 -0.301 0.000 1.301 1133 Y HN 0.720 nan 8.280 nan 0.000 0.453 1134 R N 3.972 123.828 120.500 -1.074 0.000 2.473 1134 R HA 0.427 4.767 4.340 -0.000 0.000 0.303 1134 R C -1.278 174.358 176.300 -1.106 0.000 1.002 1134 R CA -0.461 55.146 56.100 -0.821 0.000 0.884 1134 R CB 1.178 31.292 30.300 -0.310 0.000 1.173 1134 R HN 0.808 nan 8.270 nan 0.000 0.464 1135 T N 7.189 121.180 114.554 -0.939 0.000 2.867 1135 T HA 0.110 4.460 4.350 -0.000 0.000 0.297 1135 T C -2.004 172.452 174.700 -0.407 0.000 0.989 1135 T CA -0.442 61.247 62.100 -0.684 0.000 1.159 1135 T CB 0.609 69.220 68.868 -0.429 0.000 0.928 1135 T HN 0.483 nan 8.240 nan 0.000 0.538 1136 P HA 0.219 nan 4.420 nan 0.000 0.278 1136 P C -0.223 177.070 177.300 -0.010 0.000 1.258 1136 P CA -0.591 62.446 63.100 -0.106 0.000 0.811 1136 P CB 0.514 32.199 31.700 -0.025 0.000 1.063 1137 N N -0.755 117.948 118.700 0.006 0.000 2.725 1137 N HA -0.150 4.590 4.740 -0.000 0.000 0.251 1137 N C -0.625 174.899 175.510 0.023 0.000 1.031 1137 N CA 0.871 53.939 53.050 0.030 0.000 0.720 1137 N CB -1.655 36.871 38.487 0.066 0.000 0.930 1137 N HN 0.457 nan 8.380 nan 0.000 0.543 1138 L N -0.660 120.555 121.223 -0.014 0.000 2.333 1138 L HA 0.785 5.125 4.340 -0.000 0.000 0.269 1138 L C 0.948 177.802 176.870 -0.026 0.000 1.010 1138 L CA -0.663 54.156 54.840 -0.036 0.000 0.818 1138 L CB 2.101 44.116 42.059 -0.072 0.000 1.306 1138 L HN 0.232 nan 8.230 nan 0.000 0.430 1139 G N 1.391 110.175 108.800 -0.026 0.000 2.409 1139 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.231 1139 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.231 1139 G C -1.565 173.353 174.900 0.031 0.000 3.185 1139 G CA -0.761 44.343 45.100 0.007 0.000 0.941 1139 G HN 0.424 nan 8.290 nan 0.000 0.556 1140 Y N 1.789 122.033 120.300 -0.093 0.000 2.335 1140 Y HA 0.772 5.322 4.550 -0.000 0.000 0.323 1140 Y C 0.240 176.134 175.900 -0.010 0.000 1.224 1140 Y CA -0.328 57.719 58.100 -0.089 0.000 1.241 1140 Y CB 2.140 40.481 38.460 -0.198 0.000 1.235 1140 Y HN 0.541 nan 8.280 nan 0.000 0.492 1141 S N 5.009 120.147 115.700 -0.938 0.000 2.647 1141 S HA 0.340 4.810 4.470 -0.000 0.000 0.300 1141 S C -0.031 174.048 174.600 -0.868 0.000 1.129 1141 S CA -0.669 57.190 58.200 -0.568 0.000 1.029 1141 S CB 0.128 63.165 63.200 -0.270 0.000 1.007 1141 S HN 0.708 nan 8.310 nan 0.000 0.484 1142 F N 2.575 122.320 119.950 -0.341 0.000 2.365 1142 F HA 0.077 4.604 4.527 -0.000 0.000 0.300 1142 F C 2.333 178.083 175.800 -0.083 0.000 1.090 1142 F CA 0.949 58.896 58.000 -0.088 0.000 1.408 1142 F CB 0.064 39.112 39.000 0.080 0.000 1.060 1142 F HN 0.657 nan 8.300 nan 0.000 0.534 1143 E N -0.565 119.672 120.200 0.062 0.000 2.150 1143 E HA -0.150 4.199 4.350 -0.000 0.000 0.193 1143 E C 1.941 178.532 176.600 -0.015 0.000 0.985 1143 E CA 1.775 58.195 56.400 0.034 0.000 0.814 1143 E CB -0.126 29.588 29.700 0.023 0.000 0.752 1143 E HN 0.424 nan 8.360 nan 0.000 0.466 1144 T N -2.993 111.507 114.554 -0.089 0.000 3.010 1144 T HA 0.063 4.413 4.350 -0.000 0.000 0.257 1144 T C 0.538 175.180 174.700 -0.096 0.000 1.020 1144 T CA -0.020 62.033 62.100 -0.080 0.000 0.938 1144 T CB -0.081 68.735 68.868 -0.086 0.000 1.049 1144 T HN 0.181 nan 8.240 nan 0.000 0.522 1145 N N 1.355 119.946 118.700 -0.183 0.000 2.725 1145 N HA -0.209 4.531 4.740 -0.000 0.000 0.251 1145 N C -0.515 174.988 175.510 -0.012 0.000 1.031 1145 N CA 0.400 53.405 53.050 -0.075 0.000 0.720 1145 N CB -0.948 37.592 38.487 0.088 0.000 0.930 1145 N HN 0.816 nan 8.380 nan 0.000 0.543 1146 S N -0.817 114.761 115.700 -0.203 0.000 2.638 1146 S HA 0.886 5.356 4.470 -0.000 0.000 0.274 1146 S C 0.066 174.639 174.600 -0.044 0.000 1.157 1146 S CA -0.078 58.101 58.200 -0.035 0.000 0.826 1146 S CB 2.109 65.281 63.200 -0.046 0.000 1.139 1146 S HN 1.096 nan 8.310 nan 0.000 0.474 1147 G N 1.122 109.956 108.800 0.057 0.000 2.675 1147 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.686 1147 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.686 1147 G C -1.375 173.610 174.900 0.142 0.000 1.215 1147 G CA -1.068 44.069 45.100 0.062 0.000 0.777 1147 G HN 0.856 nan 8.290 nan 0.000 0.638 1148 N N 0.702 119.437 118.700 0.059 0.000 2.420 1148 N HA 0.414 5.154 4.740 -0.000 0.000 0.262 1148 N C 1.271 176.699 175.510 -0.137 0.000 1.144 1148 N CA 0.540 53.596 53.050 0.009 0.000 0.952 1148 N CB 1.555 40.048 38.487 0.011 0.000 1.081 1148 N HN 0.993 nan 8.380 nan 0.000 0.480 1149 A N 3.012 125.606 122.820 -0.377 0.000 1.975 1149 A HA 0.151 4.471 4.320 -0.000 0.000 0.215 1149 A C 0.192 177.014 177.584 -1.271 0.000 1.170 1149 A CA 0.848 52.258 52.037 -1.046 0.000 0.656 1149 A CB 0.080 17.784 19.000 -2.160 0.000 0.821 1149 A HN 0.555 nan 8.150 nan 0.000 0.449 1150 F N -3.744 115.954 119.950 -0.420 0.000 2.593 1150 F HA 0.484 5.011 4.527 -0.000 0.000 0.320 1150 F C 1.030 176.650 175.800 -0.302 0.000 1.060 1150 F CA -0.729 56.973 58.000 -0.497 0.000 0.940 1150 F CB 1.120 39.576 39.000 -0.907 0.000 1.268 1150 F HN 0.109 nan 8.300 nan 0.000 0.475 1151 H N 0.392 119.352 119.070 -0.184 0.000 2.436 1151 H HA 0.082 4.638 4.556 -0.000 0.000 0.294 1151 H C -0.910 174.453 175.328 0.059 0.000 1.048 1151 H CA 1.550 57.565 56.048 -0.054 0.000 1.353 1151 H CB 0.208 29.972 29.762 0.003 0.000 1.414 1151 H HN 0.518 nan 8.280 nan 0.000 0.536 1152 Y N -4.313 115.860 120.300 -0.211 0.000 2.852 1152 Y HA 0.408 4.958 4.550 -0.000 0.000 0.350 1152 Y C -2.004 173.630 175.900 -0.444 0.000 1.272 1152 Y CA -2.104 55.869 58.100 -0.213 0.000 1.086 1152 Y CB 0.378 38.763 38.460 -0.125 0.000 1.408 1152 Y HN -0.198 nan 8.280 nan 0.000 0.447 1153 F N 0.160 120.121 119.950 0.018 0.000 2.546 1153 F HA 0.741 5.268 4.527 -0.000 0.000 0.320 1153 F C -0.074 175.449 175.800 -0.461 0.000 1.076 1153 F CA -0.958 56.837 58.000 -0.342 0.000 0.928 1153 F CB 2.518 41.245 39.000 -0.454 0.000 1.189 1153 F HN 0.514 nan 8.300 nan 0.000 0.465 1154 T N 1.662 116.071 114.554 -0.243 0.000 2.867 1154 T HA 0.570 4.920 4.350 -0.000 0.000 0.282 1154 T C -1.180 173.315 174.700 -0.342 0.000 1.000 1154 T CA -0.428 61.569 62.100 -0.171 0.000 1.042 1154 T CB 0.552 69.444 68.868 0.039 0.000 0.973 1154 T HN 0.318 nan 8.240 nan 0.000 0.465 1155 Y N 0.086 120.471 120.300 0.141 0.000 2.602 1155 Y HA 0.775 5.325 4.550 -0.000 0.000 0.342 1155 Y C 0.677 176.619 175.900 0.070 0.000 1.029 1155 Y CA -0.943 57.203 58.100 0.077 0.000 1.080 1155 Y CB 2.457 40.888 38.460 -0.048 0.000 1.284 1155 Y HN 0.916 nan 8.280 nan 0.000 0.485 1156 G N -0.233 108.721 108.800 0.256 0.000 2.523 1156 G HA2 0.557 4.517 3.960 -0.000 0.000 0.291 1156 G HA3 0.557 4.517 3.960 -0.000 0.000 0.291 1156 G C -2.443 172.570 174.900 0.188 0.000 1.450 1156 G CA -0.708 44.502 45.100 0.183 0.000 0.790 1156 G HN 0.498 nan 8.290 nan 0.000 0.496 1157 V N -0.394 119.612 119.914 0.154 0.000 2.888 1157 V HA 0.885 5.005 4.120 -0.000 0.000 0.309 1157 V C -0.102 176.047 176.094 0.091 0.000 1.114 1157 V CA -0.231 62.165 62.300 0.161 0.000 0.940 1157 V CB 1.719 33.645 31.823 0.173 0.000 1.021 1157 V HN 1.803 nan 8.190 nan 0.000 0.426 1158 A N 2.373 125.246 122.820 0.089 0.000 2.422 1158 A HA 0.793 5.113 4.320 -0.000 0.000 0.302 1158 A C -1.002 176.598 177.584 0.027 0.000 1.041 1158 A CA -0.466 51.606 52.037 0.058 0.000 0.708 1158 A CB 1.739 20.826 19.000 0.146 0.000 1.257 1158 A HN 1.151 nan 8.150 nan 0.000 0.414 1159 C N 2.024 121.323 119.300 -0.003 0.000 2.340 1159 C HA 0.855 5.315 4.460 -0.000 0.000 0.323 1159 C C -0.126 174.894 174.990 0.050 0.000 1.260 1159 C CA -0.072 58.949 59.018 0.006 0.000 1.464 1159 C CB 0.068 27.788 27.740 -0.034 0.000 2.156 1159 C HN 0.848 nan 8.230 nan 0.000 0.476 1160 S N 3.710 119.463 115.700 0.088 0.000 2.542 1160 S HA 0.616 5.086 4.470 -0.000 0.000 0.293 1160 S C -1.245 173.393 174.600 0.063 0.000 1.089 1160 S CA -0.479 57.776 58.200 0.091 0.000 0.961 1160 S CB 1.749 65.048 63.200 0.165 0.000 1.062 1160 S HN 0.882 nan 8.310 nan 0.000 0.483 1161 E N 1.456 121.675 120.200 0.032 0.000 2.266 1161 E HA 0.688 5.038 4.350 -0.000 0.000 0.268 1161 E C -1.308 175.289 176.600 -0.004 0.000 0.879 1161 E CA -0.794 55.602 56.400 -0.007 0.000 0.762 1161 E CB 1.605 31.276 29.700 -0.049 0.000 1.199 1161 E HN 0.517 nan 8.360 nan 0.000 0.422 1162 V N 0.252 120.156 119.914 -0.016 0.000 3.160 1162 V HA 0.687 4.807 4.120 -0.000 0.000 0.310 1162 V C -1.096 174.972 176.094 -0.042 0.000 1.181 1162 V CA -0.848 61.462 62.300 0.016 0.000 1.047 1162 V CB 1.888 33.759 31.823 0.080 0.000 1.068 1162 V HN 0.818 nan 8.190 nan 0.000 0.441 1163 E N 1.715 121.908 120.200 -0.011 0.000 2.244 1163 E HA 0.628 4.978 4.350 -0.000 0.000 0.260 1163 E C -1.004 175.638 176.600 0.071 0.000 0.884 1163 E CA -0.837 55.537 56.400 -0.045 0.000 0.777 1163 E CB 1.879 31.485 29.700 -0.156 0.000 1.197 1163 E HN 0.964 nan 8.360 nan 0.000 0.416 1164 I N 0.650 121.277 120.570 0.094 0.000 2.577 1164 I HA 0.548 4.718 4.170 -0.000 0.000 0.305 1164 I C -0.380 175.825 176.117 0.147 0.000 0.986 1164 I CA -0.812 60.565 61.300 0.128 0.000 1.189 1164 I CB 1.676 39.722 38.000 0.077 0.000 1.355 1164 I HN 0.373 nan 8.210 nan 0.000 0.476 1165 D N 4.774 125.266 120.400 0.153 0.000 2.396 1165 D HA 0.244 4.884 4.640 -0.000 0.000 0.225 1165 D C 0.602 177.006 176.300 0.173 0.000 1.121 1165 D CA -0.447 53.656 54.000 0.171 0.000 0.853 1165 D CB 1.429 42.326 40.800 0.161 0.000 1.043 1165 D HN 0.761 nan 8.370 nan 0.000 0.500 1166 C N 3.326 122.752 119.300 0.209 0.000 2.422 1166 C HA -0.036 4.424 4.460 -0.000 0.000 0.286 1166 C C 2.477 177.609 174.990 0.237 0.000 1.412 1166 C CA 0.103 59.255 59.018 0.224 0.000 1.786 1166 C CB -0.893 27.014 27.740 0.280 0.000 1.835 1166 C HN 0.658 nan 8.230 nan 0.000 0.533 1167 L N 0.607 121.952 121.223 0.204 0.000 2.416 1167 L HA 0.020 4.360 4.340 -0.000 0.000 0.216 1167 L C 2.532 179.408 176.870 0.011 0.000 1.098 1167 L CA 1.576 56.457 54.840 0.068 0.000 0.840 1167 L CB -0.308 41.736 42.059 -0.026 0.000 0.981 1167 L HN 0.524 nan 8.230 nan 0.000 0.462 1168 T N -6.021 108.591 114.554 0.098 0.000 2.964 1168 T HA 0.303 4.653 4.350 -0.000 0.000 0.250 1168 T C 1.435 176.279 174.700 0.239 0.000 0.982 1168 T CA 0.625 62.803 62.100 0.129 0.000 0.959 1168 T CB 1.134 70.125 68.868 0.206 0.000 1.141 1168 T HN 0.255 nan 8.240 nan 0.000 0.494 1169 G N 1.411 110.320 108.800 0.181 0.000 2.213 1169 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.236 1169 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.236 1169 G C -0.176 174.804 174.900 0.135 0.000 0.991 1169 G CA 0.117 45.297 45.100 0.134 0.000 0.629 1169 G HN 0.822 nan 8.290 nan 0.000 0.517 1170 D N 1.171 121.666 120.400 0.159 0.000 2.360 1170 D HA 0.534 5.174 4.640 -0.000 0.000 0.242 1170 D C 0.617 177.023 176.300 0.177 0.000 1.184 1170 D CA 0.461 54.544 54.000 0.138 0.000 0.930 1170 D CB 0.321 41.172 40.800 0.085 0.000 1.161 1170 D HN 0.602 nan 8.370 nan 0.000 0.447 1171 H N -0.337 118.742 119.070 0.016 0.000 3.017 1171 H HA 0.461 5.017 4.556 -0.000 0.000 0.346 1171 H C -1.530 173.805 175.328 0.012 0.000 1.286 1171 H CA -1.063 54.991 56.048 0.010 0.000 1.120 1171 H CB 0.865 30.619 29.762 -0.013 0.000 1.860 1171 H HN 0.369 nan 8.280 nan 0.000 0.542 1172 K N 1.386 121.723 120.400 -0.104 0.000 2.324 1172 K HA 0.286 4.606 4.320 -0.000 0.000 0.253 1172 K C -1.077 175.502 176.600 -0.035 0.000 0.932 1172 K CA -0.792 55.410 56.287 -0.142 0.000 0.799 1172 K CB 1.125 33.579 32.500 -0.076 0.000 1.154 1172 K HN 0.529 nan 8.250 nan 0.000 0.425 1173 N N 5.555 124.224 118.700 -0.051 0.000 2.439 1173 N HA 0.114 4.854 4.740 -0.000 0.000 0.243 1173 N C 0.780 176.292 175.510 0.003 0.000 1.088 1173 N CA 0.035 53.106 53.050 0.034 0.000 0.940 1173 N CB 0.808 39.316 38.487 0.035 0.000 1.180 1173 N HN 0.583 nan 8.380 nan 0.000 0.505 1174 L N 1.128 122.343 121.223 -0.014 0.000 2.023 1174 L HA 0.060 4.400 4.340 -0.000 0.000 0.205 1174 L C 1.130 177.994 176.870 -0.009 0.000 1.073 1174 L CA 1.008 55.823 54.840 -0.041 0.000 0.745 1174 L CB 0.049 42.045 42.059 -0.105 0.000 0.900 1174 L HN 0.412 nan 8.230 nan 0.000 0.435 1175 R N -1.196 119.301 120.500 -0.005 0.000 2.594 1175 R HA 0.381 4.721 4.340 -0.000 0.000 0.265 1175 R C -1.719 174.587 176.300 0.011 0.000 1.070 1175 R CA -0.347 55.761 56.100 0.013 0.000 0.909 1175 R CB 2.090 32.399 30.300 0.014 0.000 1.243 1175 R HN -0.209 nan 8.270 nan 0.000 0.455 1176 T N 2.397 116.959 114.554 0.013 0.000 2.921 1176 T HA 0.344 4.693 4.350 -0.000 0.000 0.297 1176 T C -1.781 172.945 174.700 0.043 0.000 1.013 1176 T CA -0.626 61.467 62.100 -0.012 0.000 0.990 1176 T CB 1.616 70.371 68.868 -0.188 0.000 1.023 1176 T HN 0.525 nan 8.240 nan 0.000 0.447 1177 D N 2.078 122.479 120.400 0.001 0.000 2.502 1177 D HA 0.616 5.256 4.640 -0.000 0.000 0.249 1177 D C -0.606 175.672 176.300 -0.038 0.000 1.092 1177 D CA -0.300 53.698 54.000 -0.004 0.000 0.839 1177 D CB 1.471 42.264 40.800 -0.012 0.000 1.264 1177 D HN 0.360 nan 8.370 nan 0.000 0.511 1178 I N 1.768 122.310 120.570 -0.047 0.000 2.509 1178 I HA 0.468 4.638 4.170 -0.000 0.000 0.293 1178 I C -0.861 175.243 176.117 -0.022 0.000 1.020 1178 I CA -1.112 60.162 61.300 -0.043 0.000 1.088 1178 I CB 2.160 40.113 38.000 -0.078 0.000 1.267 1178 I HN 0.014 nan 8.210 nan 0.000 0.430 1179 V N 6.322 126.240 119.914 0.007 0.000 2.409 1179 V HA 0.447 4.567 4.120 -0.000 0.000 0.290 1179 V C -0.409 175.715 176.094 0.049 0.000 1.017 1179 V CA -0.423 61.889 62.300 0.019 0.000 0.841 1179 V CB 1.647 33.480 31.823 0.016 0.000 1.003 1179 V HN 0.634 nan 8.190 nan 0.000 0.426 1180 M N 4.062 123.691 119.600 0.048 0.000 2.383 1180 M HA 0.542 5.022 4.480 -0.000 0.000 0.325 1180 M C -0.848 175.498 176.300 0.077 0.000 1.092 1180 M CA -0.436 54.907 55.300 0.071 0.000 0.961 1180 M CB 1.726 34.359 32.600 0.054 0.000 1.672 1180 M HN 0.654 nan 8.290 nan 0.000 0.438 1181 D N 3.451 123.917 120.400 0.110 0.000 2.428 1181 D HA 0.352 4.992 4.640 -0.000 0.000 0.221 1181 D C -0.134 176.229 176.300 0.104 0.000 1.123 1181 D CA -0.378 53.692 54.000 0.117 0.000 0.869 1181 D CB 0.657 41.567 40.800 0.184 0.000 1.032 1181 D HN 0.408 nan 8.370 nan 0.000 0.506 1182 V N 2.091 122.047 119.914 0.070 0.000 3.006 1182 V HA 0.620 4.740 4.120 -0.000 0.000 0.357 1182 V C 1.193 177.307 176.094 0.033 0.000 1.377 1182 V CA 0.168 62.500 62.300 0.054 0.000 1.198 1182 V CB -0.348 31.495 31.823 0.033 0.000 1.216 1182 V HN 0.666 nan 8.190 nan 0.000 0.520 1183 G N 1.590 110.409 108.800 0.032 0.000 2.582 1183 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.288 1183 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.288 1183 G C 0.138 175.045 174.900 0.011 0.000 1.247 1183 G CA 0.168 45.270 45.100 0.004 0.000 0.972 1183 G HN 1.013 nan 8.290 nan 0.000 0.557 1184 S N 0.520 116.220 115.700 0.001 0.000 2.485 1184 S HA 0.503 4.973 4.470 -0.000 0.000 0.312 1184 S C 0.592 175.201 174.600 0.015 0.000 1.102 1184 S CA 0.633 58.841 58.200 0.013 0.000 1.066 1184 S CB 0.986 64.193 63.200 0.011 0.000 1.102 1184 S HN 1.185 nan 8.310 nan 0.000 0.519 1185 S N 3.116 118.826 115.700 0.018 0.000 2.558 1185 S HA 0.075 4.545 4.470 -0.000 0.000 0.293 1185 S C 1.283 175.883 174.600 0.000 0.000 1.292 1185 S CA -0.388 57.814 58.200 0.003 0.000 1.063 1185 S CB 0.066 63.259 63.200 -0.011 0.000 0.831 1185 S HN 0.669 nan 8.310 nan 0.000 0.499 1186 L N 3.403 124.625 121.223 -0.002 0.000 2.240 1186 L HA 0.148 4.488 4.340 -0.000 0.000 0.211 1186 L C 1.062 177.918 176.870 -0.024 0.000 1.106 1186 L CA 0.457 55.300 54.840 0.004 0.000 0.793 1186 L CB -0.173 41.900 42.059 0.023 0.000 0.927 1186 L HN 0.637 nan 8.230 nan 0.000 0.446 1187 N N -0.699 117.970 118.700 -0.052 0.000 2.747 1187 N HA 0.102 4.842 4.740 -0.000 0.000 0.262 1187 N C -2.279 173.132 175.510 -0.165 0.000 1.261 1187 N CA -1.013 51.980 53.050 -0.095 0.000 0.809 1187 N CB 1.551 39.989 38.487 -0.082 0.000 1.450 1187 N HN -0.253 nan 8.380 nan 0.000 0.560 1188 P HA -0.090 nan 4.420 nan 0.000 0.220 1188 P C 1.034 178.041 177.300 -0.489 0.000 1.148 1188 P CA 0.866 63.734 63.100 -0.387 0.000 0.803 1188 P CB 0.467 31.787 31.700 -0.634 0.000 0.782 1189 A N 0.480 122.987 122.820 -0.523 0.000 1.855 1189 A HA -0.118 4.202 4.320 -0.000 0.000 0.215 1189 A C 2.276 179.606 177.584 -0.422 0.000 1.191 1189 A CA 1.297 52.946 52.037 -0.646 0.000 0.613 1189 A CB -1.285 17.072 19.000 -1.072 0.000 0.829 1189 A HN 0.008 nan 8.150 nan 0.000 0.442 1190 I N 0.687 121.092 120.570 -0.275 0.000 2.226 1190 I HA -0.187 3.983 4.170 -0.000 0.000 0.245 1190 I C 1.697 177.750 176.117 -0.106 0.000 1.100 1190 I CA 1.568 62.788 61.300 -0.133 0.000 1.374 1190 I CB -1.531 36.422 38.000 -0.079 0.000 1.057 1190 I HN 0.275 nan 8.210 nan 0.000 0.413 1191 D N 0.765 121.091 120.400 -0.124 0.000 2.144 1191 D HA -0.092 4.548 4.640 -0.000 0.000 0.200 1191 D C 2.371 178.620 176.300 -0.085 0.000 0.978 1191 D CA 0.989 54.939 54.000 -0.084 0.000 0.833 1191 D CB -0.082 40.674 40.800 -0.074 0.000 0.961 1191 D HN 0.303 nan 8.370 nan 0.000 0.470 1192 I N 0.763 121.251 120.570 -0.137 0.000 2.315 1192 I HA -0.137 4.033 4.170 -0.000 0.000 0.248 1192 I C 2.421 178.477 176.117 -0.102 0.000 1.117 1192 I CA 1.112 62.334 61.300 -0.130 0.000 1.404 1192 I CB -0.282 37.612 38.000 -0.177 0.000 1.071 1192 I HN 0.018 nan 8.210 nan 0.000 0.419 1193 G N -0.155 108.589 108.800 -0.094 0.000 2.422 1193 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.218 1193 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.218 1193 G C 1.583 176.485 174.900 0.002 0.000 1.146 1193 G CA 0.279 45.355 45.100 -0.041 0.000 0.769 1193 G HN 0.269 nan 8.290 nan 0.000 0.547 1194 Q N 0.144 119.944 119.800 0.000 0.000 2.119 1194 Q HA -0.009 4.331 4.340 -0.000 0.000 0.201 1194 Q C 2.975 179.006 176.000 0.052 0.000 0.972 1194 Q CA 0.797 56.620 55.803 0.034 0.000 0.847 1194 Q CB -0.562 28.185 28.738 0.015 0.000 0.903 1194 Q HN 0.410 nan 8.270 nan 0.000 0.433 1195 V N 1.468 121.398 119.914 0.027 0.000 2.295 1195 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 1195 V C 2.095 178.261 176.094 0.121 0.000 1.049 1195 V CA 1.912 64.245 62.300 0.056 0.000 1.024 1195 V CB -0.448 31.375 31.823 0.001 0.000 0.648 1195 V HN 0.388 nan 8.190 nan 0.000 0.447 1196 E N 0.221 120.454 120.200 0.055 0.000 2.106 1196 E HA -0.109 4.241 4.350 -0.000 0.000 0.192 1196 E C 2.324 179.086 176.600 0.269 0.000 0.984 1196 E CA 1.139 57.628 56.400 0.149 0.000 0.806 1196 E CB -0.470 29.200 29.700 -0.051 0.000 0.750 1196 E HN 0.639 nan 8.360 nan 0.000 0.458 1197 G N 1.398 110.289 108.800 0.151 0.000 2.404 1197 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.215 1197 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.215 1197 G C 1.718 176.705 174.900 0.145 0.000 1.174 1197 G CA 0.863 46.039 45.100 0.127 0.000 0.780 1197 G HN 0.336 nan 8.290 nan 0.000 0.537 1198 A N 0.498 123.414 122.820 0.160 0.000 1.877 1198 A HA 0.047 4.367 4.320 -0.000 0.000 0.216 1198 A C 2.191 179.864 177.584 0.149 0.000 1.186 1198 A CA 1.631 53.750 52.037 0.137 0.000 0.620 1198 A CB -0.644 18.424 19.000 0.113 0.000 0.822 1198 A HN 0.422 nan 8.150 nan 0.000 0.443 1199 F N 0.787 120.801 119.950 0.106 0.000 2.126 1199 F HA -0.185 4.342 4.527 -0.000 0.000 0.299 1199 F C 2.182 178.042 175.800 0.100 0.000 1.096 1199 F CA 2.107 60.184 58.000 0.130 0.000 1.255 1199 F CB -0.265 38.872 39.000 0.228 0.000 0.997 1199 F HN 0.029 nan 8.300 nan 0.000 0.479 1200 V N 0.284 120.312 119.914 0.189 0.000 2.427 1200 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 1200 V C 2.319 178.359 176.094 -0.090 0.000 1.051 1200 V CA 2.123 64.448 62.300 0.042 0.000 1.048 1200 V CB -0.728 31.197 31.823 0.170 0.000 0.666 1200 V HN 0.413 nan 8.190 nan 0.000 0.456 1201 Q N -0.173 119.583 119.800 -0.074 0.000 2.167 1201 Q HA -0.126 4.214 4.340 -0.000 0.000 0.202 1201 Q C 2.347 178.213 176.000 -0.224 0.000 0.970 1201 Q CA 1.547 57.274 55.803 -0.126 0.000 0.855 1201 Q CB -0.400 28.291 28.738 -0.078 0.000 0.911 1201 Q HN 0.732 nan 8.270 nan 0.000 0.438 1202 G N 0.925 109.587 108.800 -0.231 0.000 2.402 1202 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.216 1202 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.216 1202 G C 1.361 176.087 174.900 -0.289 0.000 1.162 1202 G CA 0.448 45.368 45.100 -0.300 0.000 0.777 1202 G HN 0.270 nan 8.290 nan 0.000 0.539 1203 L N 1.817 122.838 121.223 -0.336 0.000 2.042 1203 L HA 0.097 4.437 4.340 -0.000 0.000 0.210 1203 L C 2.681 179.454 176.870 -0.162 0.000 1.076 1203 L CA 2.437 57.121 54.840 -0.260 0.000 0.749 1203 L CB -1.069 40.789 42.059 -0.336 0.000 0.893 1203 L HN 0.154 nan 8.230 nan 0.000 0.432 1204 G N -0.444 108.235 108.800 -0.201 0.000 2.421 1204 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.216 1204 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.216 1204 G C 1.594 176.329 174.900 -0.275 0.000 1.171 1204 G CA 0.894 45.871 45.100 -0.205 0.000 0.775 1204 G HN 0.452 nan 8.290 nan 0.000 0.543 1205 L N -0.265 120.706 121.223 -0.420 0.000 2.043 1205 L HA 0.042 4.382 4.340 -0.000 0.000 0.212 1205 L C 2.382 178.912 176.870 -0.566 0.000 1.075 1205 L CA 1.807 56.282 54.840 -0.607 0.000 0.752 1205 L CB -0.518 40.952 42.059 -0.982 0.000 0.891 1205 L HN 0.264 nan 8.230 nan 0.000 0.432 1206 F N -1.421 118.374 119.950 -0.258 0.000 2.743 1206 F HA 0.051 4.578 4.527 -0.000 0.000 0.297 1206 F C 1.866 177.639 175.800 -0.045 0.000 1.131 1206 F CA 0.664 58.528 58.000 -0.227 0.000 1.426 1206 F CB -0.187 38.670 39.000 -0.238 0.000 1.116 1206 F HN 0.315 nan 8.300 nan 0.000 0.583 1207 T N -4.948 109.644 114.554 0.064 0.000 3.028 1207 T HA 0.215 4.565 4.350 -0.000 0.000 0.262 1207 T C 0.943 175.643 174.700 -0.000 0.000 0.916 1207 T CA 0.112 62.239 62.100 0.044 0.000 0.873 1207 T CB 0.041 68.940 68.868 0.052 0.000 1.232 1207 T HN 0.022 nan 8.240 nan 0.000 0.529 1208 L N 0.561 121.742 121.223 -0.069 0.000 2.713 1208 L HA 0.535 4.875 4.340 -0.000 0.000 0.223 1208 L C 0.343 177.088 176.870 -0.208 0.000 1.040 1208 L CA 0.400 55.173 54.840 -0.112 0.000 0.894 1208 L CB -0.020 41.964 42.059 -0.127 0.000 1.361 1208 L HN 0.232 nan 8.230 nan 0.000 0.490 1209 E N 1.464 121.492 120.200 -0.286 0.000 2.257 1209 E HA 0.280 4.630 4.350 -0.000 0.000 0.278 1209 E C -0.272 176.211 176.600 -0.195 0.000 1.049 1209 E CA 0.166 56.306 56.400 -0.433 0.000 0.876 1209 E CB 0.711 30.156 29.700 -0.426 0.000 1.035 1209 E HN 0.089 nan 8.360 nan 0.000 0.419 1210 E N 3.962 124.086 120.200 -0.126 0.000 2.291 1210 E HA 0.238 4.588 4.350 -0.000 0.000 0.276 1210 E C -1.496 175.096 176.600 -0.014 0.000 0.896 1210 E CA -0.485 55.879 56.400 -0.060 0.000 0.774 1210 E CB 1.022 30.630 29.700 -0.152 0.000 1.227 1210 E HN 0.372 nan 8.360 nan 0.000 0.413 1211 L N 3.941 125.161 121.223 -0.004 0.000 2.307 1211 L HA 0.495 4.835 4.340 -0.000 0.000 0.282 1211 L C -0.530 176.221 176.870 -0.199 0.000 1.051 1211 L CA -0.622 54.183 54.840 -0.058 0.000 0.804 1211 L CB 1.155 43.214 42.059 -0.000 0.000 1.197 1211 L HN 0.600 nan 8.230 nan 0.000 0.431 1212 H N 1.642 120.705 119.070 -0.012 0.000 2.538 1212 H HA 0.548 5.104 4.556 -0.000 0.000 0.353 1212 H C -1.382 173.906 175.328 -0.067 0.000 1.109 1212 H CA -0.428 55.688 56.048 0.112 0.000 1.192 1212 H CB 1.635 31.511 29.762 0.190 0.000 1.555 1212 H HN 0.309 nan 8.280 nan 0.000 0.518 1213 Y N 0.108 120.549 120.300 0.235 0.000 2.536 1213 Y HA 0.319 4.869 4.550 -0.000 0.000 0.347 1213 Y C 0.393 176.282 175.900 -0.019 0.000 1.000 1213 Y CA -1.179 56.911 58.100 -0.018 0.000 1.051 1213 Y CB 1.719 40.175 38.460 -0.008 0.000 1.259 1213 Y HN 0.659 nan 8.280 nan 0.000 0.468 1214 S N 0.968 116.595 115.700 -0.121 0.000 2.608 1214 S HA 0.210 4.680 4.470 -0.000 0.000 0.261 1214 S C -2.092 172.572 174.600 0.107 0.000 1.314 1214 S CA -0.903 57.351 58.200 0.089 0.000 0.992 1214 S CB 1.076 64.273 63.200 -0.003 0.000 0.935 1214 S HN 0.475 nan 8.310 nan 0.000 0.564 1215 P HA -0.082 nan 4.420 nan 0.000 0.219 1215 P C 0.910 178.231 177.300 0.034 0.000 1.146 1215 P CA 0.972 64.109 63.100 0.061 0.000 0.808 1215 P CB -0.041 31.690 31.700 0.052 0.000 0.779 1216 E N -1.096 119.124 120.200 0.033 0.000 2.476 1216 E HA 0.143 4.492 4.350 -0.000 0.000 0.191 1216 E C 1.182 177.791 176.600 0.014 0.000 1.064 1216 E CA 0.636 57.046 56.400 0.017 0.000 0.866 1216 E CB -0.948 28.759 29.700 0.011 0.000 0.952 1216 E HN 0.213 nan 8.360 nan 0.000 0.492 1217 G N 1.133 109.950 108.800 0.028 0.000 2.132 1217 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.228 1217 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.228 1217 G C 0.021 174.987 174.900 0.111 0.000 1.000 1217 G CA 0.397 45.523 45.100 0.043 0.000 0.693 1217 G HN 0.366 nan 8.290 nan 0.000 0.515 1218 S N -0.234 115.499 115.700 0.055 0.000 2.429 1218 S HA 0.620 5.090 4.470 -0.000 0.000 0.302 1218 S C 0.400 174.930 174.600 -0.116 0.000 1.115 1218 S CA -0.681 57.520 58.200 0.002 0.000 1.095 1218 S CB 0.850 64.019 63.200 -0.052 0.000 0.987 1218 S HN 1.229 nan 8.310 nan 0.000 0.474 1219 L N 6.821 128.006 121.223 -0.062 0.000 2.513 1219 L HA 0.219 4.559 4.340 -0.000 0.000 0.272 1219 L C 1.085 177.811 176.870 -0.239 0.000 1.187 1219 L CA 0.891 55.522 54.840 -0.349 0.000 0.895 1219 L CB 0.167 42.063 42.059 -0.272 0.000 1.147 1219 L HN 0.805 nan 8.230 nan 0.000 0.483 1220 H N 1.898 120.899 119.070 -0.115 0.000 2.399 1220 H HA 0.071 4.627 4.556 -0.000 0.000 0.300 1220 H C 0.368 175.699 175.328 0.004 0.000 1.048 1220 H CA 1.153 57.196 56.048 -0.009 0.000 1.370 1220 H CB -0.123 29.660 29.762 0.035 0.000 1.428 1220 H HN 0.691 nan 8.280 nan 0.000 0.534 1221 T N 0.622 115.243 114.554 0.112 0.000 2.855 1221 T HA 0.340 4.690 4.350 -0.000 0.000 0.290 1221 T C 0.694 175.418 174.700 0.041 0.000 0.941 1221 T CA -0.564 61.602 62.100 0.109 0.000 1.030 1221 T CB 0.198 69.163 68.868 0.161 0.000 0.935 1221 T HN 0.227 nan 8.240 nan 0.000 0.564 1222 R N 2.108 122.657 120.500 0.082 0.000 2.662 1222 R HA 0.470 4.810 4.340 -0.000 0.000 0.396 1222 R C 0.656 177.041 176.300 0.141 0.000 1.096 1222 R CA -0.635 55.518 56.100 0.088 0.000 1.081 1222 R CB 1.138 31.503 30.300 0.109 0.000 1.382 1222 R HN 0.783 nan 8.270 nan 0.000 0.580 1223 G N 0.506 109.414 108.800 0.178 0.000 2.576 1223 G HA2 0.191 4.151 3.960 -0.000 0.000 0.290 1223 G HA3 0.191 4.151 3.960 -0.000 0.000 0.290 1223 G C -2.614 172.467 174.900 0.303 0.000 1.442 1223 G CA -0.825 44.414 45.100 0.232 0.000 0.792 1223 G HN -0.286 nan 8.290 nan 0.000 0.491 1224 P HA -0.072 nan 4.420 nan 0.000 0.225 1224 P C 1.726 179.086 177.300 0.100 0.000 1.148 1224 P CA 1.650 64.871 63.100 0.202 0.000 0.779 1224 P CB 0.232 32.070 31.700 0.230 0.000 0.780 1225 S N -0.471 115.279 115.700 0.084 0.000 2.428 1225 S HA -0.071 4.399 4.470 -0.000 0.000 0.230 1225 S C 1.773 176.398 174.600 0.042 0.000 1.014 1225 S CA 1.671 59.890 58.200 0.031 0.000 0.957 1225 S CB -1.579 61.611 63.200 -0.017 0.000 0.784 1225 S HN 0.341 nan 8.310 nan 0.000 0.499 1226 T N -3.623 110.984 114.554 0.089 0.000 2.975 1226 T HA 0.287 4.637 4.350 -0.000 0.000 0.257 1226 T C -0.200 174.608 174.700 0.180 0.000 1.003 1226 T CA -0.429 61.741 62.100 0.116 0.000 0.932 1226 T CB -0.288 68.654 68.868 0.123 0.000 1.087 1226 T HN 0.355 nan 8.240 nan 0.000 0.512 1227 Y N 2.947 123.268 120.300 0.034 0.000 2.345 1227 Y HA 0.552 5.102 4.550 -0.000 0.000 0.331 1227 Y C -1.102 174.755 175.900 -0.072 0.000 0.959 1227 Y CA -1.648 56.455 58.100 0.005 0.000 1.204 1227 Y CB 1.057 39.547 38.460 0.050 0.000 1.135 1227 Y HN -0.155 nan 8.280 nan 0.000 0.477 1228 K N 8.725 128.862 120.400 -0.438 0.000 2.292 1228 K HA 0.330 4.650 4.320 -0.000 0.000 0.270 1228 K C -0.193 176.112 176.600 -0.492 0.000 1.062 1228 K CA -0.338 55.730 56.287 -0.366 0.000 0.916 1228 K CB 0.655 33.036 32.500 -0.199 0.000 1.166 1228 K HN 0.822 nan 8.250 nan 0.000 0.458 1229 I N -0.674 119.630 120.570 -0.445 0.000 2.934 1229 I HA 0.463 4.633 4.170 -0.000 0.000 0.315 1229 I C -2.208 173.809 176.117 -0.165 0.000 0.997 1229 I CA -2.846 58.249 61.300 -0.341 0.000 1.184 1229 I CB 0.473 38.272 38.000 -0.336 0.000 1.400 1229 I HN 0.147 nan 8.210 nan 0.000 0.549 1230 P HA 0.125 nan 4.420 nan 0.000 0.265 1230 P C -0.822 176.550 177.300 0.120 0.000 1.193 1230 P CA 0.173 63.290 63.100 0.029 0.000 0.765 1230 P CB 0.701 32.454 31.700 0.088 0.000 0.823 1231 A N 2.448 125.248 122.820 -0.034 0.000 2.282 1231 A HA 0.469 4.789 4.320 -0.000 0.000 0.324 1231 A C 0.751 177.919 177.584 -0.694 0.000 1.119 1231 A CA -0.461 51.461 52.037 -0.191 0.000 0.880 1231 A CB -0.090 18.898 19.000 -0.019 0.000 1.294 1231 A HN 0.427 nan 8.150 nan 0.000 0.493 1232 F N 0.543 119.910 119.950 -0.971 0.000 2.120 1232 F HA -0.133 4.394 4.527 -0.000 0.000 0.300 1232 F C 2.518 178.152 175.800 -0.275 0.000 1.095 1232 F CA 2.586 60.087 58.000 -0.831 0.000 1.249 1232 F CB -0.354 38.485 39.000 -0.268 0.000 0.995 1232 F HN 0.634 nan 8.300 nan 0.000 0.480 1233 G N -1.952 106.900 108.800 0.087 0.000 2.848 1233 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.208 1233 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.208 1233 G C 1.559 176.497 174.900 0.064 0.000 1.152 1233 G CA 0.772 45.959 45.100 0.146 0.000 0.789 1233 G HN 0.337 nan 8.290 nan 0.000 0.531 1234 S N 0.117 115.807 115.700 -0.017 0.000 2.470 1234 S HA 0.131 4.601 4.470 -0.000 0.000 0.225 1234 S C 1.268 175.865 174.600 -0.005 0.000 1.006 1234 S CA -0.202 57.980 58.200 -0.030 0.000 0.934 1234 S CB -0.124 63.054 63.200 -0.036 0.000 0.778 1234 S HN 0.620 nan 8.310 nan 0.000 0.517 1235 I N 1.147 121.732 120.570 0.025 0.000 2.779 1235 I HA 0.286 4.456 4.170 -0.000 0.000 0.285 1235 I C -2.542 173.551 176.117 -0.039 0.000 1.134 1235 I CA -2.248 59.053 61.300 0.001 0.000 1.398 1235 I CB 0.016 38.072 38.000 0.094 0.000 1.404 1235 I HN -0.128 nan 8.210 nan 0.000 0.587 1236 P HA 0.016 nan 4.420 nan 0.000 0.264 1236 P C 0.461 177.768 177.300 0.012 0.000 1.193 1236 P CA 0.016 63.048 63.100 -0.113 0.000 0.763 1236 P CB 0.697 32.246 31.700 -0.252 0.000 0.810 1237 T N 1.324 115.922 114.554 0.074 0.000 2.699 1237 T HA -0.192 4.158 4.350 -0.000 0.000 0.268 1237 T C 0.730 175.529 174.700 0.165 0.000 1.036 1237 T CA 1.496 63.682 62.100 0.144 0.000 1.147 1237 T CB -0.177 68.792 68.868 0.168 0.000 0.862 1237 T HN 0.532 nan 8.240 nan 0.000 0.446 1238 E N 0.190 120.474 120.200 0.140 0.000 2.114 1238 E HA 0.405 4.755 4.350 -0.000 0.000 0.266 1238 E C -1.668 175.054 176.600 0.203 0.000 0.896 1238 E CA -0.442 56.053 56.400 0.159 0.000 0.750 1238 E CB 0.487 30.259 29.700 0.121 0.000 1.121 1238 E HN 0.355 nan 8.360 nan 0.000 0.413 1239 F N 5.347 125.321 119.950 0.041 0.000 2.434 1239 F HA 0.477 5.004 4.527 -0.000 0.000 0.355 1239 F C -0.511 175.282 175.800 -0.013 0.000 1.115 1239 F CA -1.005 56.996 58.000 0.001 0.000 1.010 1239 F CB 0.785 39.804 39.000 0.032 0.000 1.234 1239 F HN 0.326 nan 8.300 nan 0.000 0.439 1240 R N 5.022 125.632 120.500 0.183 0.000 2.494 1240 R HA 0.675 5.015 4.340 -0.000 0.000 0.305 1240 R C -1.517 174.724 176.300 -0.099 0.000 0.959 1240 R CA -0.974 55.124 56.100 -0.002 0.000 0.864 1240 R CB 2.798 33.114 30.300 0.026 0.000 1.159 1240 R HN 0.330 nan 8.270 nan 0.000 0.446 1241 V N 1.756 121.581 119.914 -0.149 0.000 2.638 1241 V HA 0.421 4.541 4.120 -0.000 0.000 0.306 1241 V C -0.572 175.490 176.094 -0.054 0.000 1.052 1241 V CA -0.673 61.542 62.300 -0.142 0.000 0.885 1241 V CB 2.189 33.870 31.823 -0.238 0.000 0.999 1241 V HN 0.783 nan 8.190 nan 0.000 0.424 1242 S N 5.031 120.716 115.700 -0.025 0.000 2.538 1242 S HA 0.705 5.175 4.470 -0.000 0.000 0.288 1242 S C -0.755 173.861 174.600 0.027 0.000 1.108 1242 S CA -0.607 57.602 58.200 0.014 0.000 0.971 1242 S CB 1.613 64.817 63.200 0.006 0.000 1.041 1242 S HN 0.534 nan 8.310 nan 0.000 0.483 1243 L N 3.040 124.298 121.223 0.058 0.000 2.264 1243 L HA 0.428 4.768 4.340 -0.000 0.000 0.289 1243 L C -0.223 176.681 176.870 0.055 0.000 1.044 1243 L CA -0.957 53.918 54.840 0.058 0.000 0.807 1243 L CB 0.852 42.958 42.059 0.079 0.000 1.192 1243 L HN 0.500 nan 8.230 nan 0.000 0.425 1244 L N 5.296 126.547 121.223 0.047 0.000 2.578 1244 L HA -0.003 4.337 4.340 -0.000 0.000 0.279 1244 L C 0.631 177.524 176.870 0.037 0.000 1.227 1244 L CA 0.676 55.540 54.840 0.040 0.000 0.900 1244 L CB 0.169 42.255 42.059 0.045 0.000 1.144 1244 L HN 0.638 nan 8.230 nan 0.000 0.496 1245 R N 2.859 123.374 120.500 0.025 0.000 2.596 1245 R HA 0.414 4.753 4.340 -0.000 0.000 0.267 1245 R C -0.671 175.638 176.300 0.015 0.000 1.026 1245 R CA -0.634 55.478 56.100 0.020 0.000 1.087 1245 R CB 0.524 30.828 30.300 0.005 0.000 1.132 1245 R HN 0.688 nan 8.270 nan 0.000 0.531 1246 D N 0.424 120.831 120.400 0.012 0.000 2.803 1246 D HA -0.146 4.494 4.640 -0.000 0.000 0.233 1246 D C -0.332 175.975 176.300 0.011 0.000 1.182 1246 D CA 1.161 55.167 54.000 0.009 0.000 0.726 1246 D CB -1.106 39.697 40.800 0.005 0.000 0.987 1246 D HN 0.782 nan 8.370 nan 0.000 0.412 1247 C N -1.445 117.863 119.300 0.014 0.000 3.236 1247 C HA 0.343 4.803 4.460 -0.000 0.000 0.208 1247 C C -2.221 172.772 174.990 0.005 0.000 1.879 1247 C CA -1.662 57.365 59.018 0.015 0.000 1.262 1247 C CB 0.344 28.101 27.740 0.028 0.000 2.186 1247 C HN 0.147 nan 8.230 nan 0.000 0.552 1248 P HA 0.058 nan 4.420 nan 0.000 0.264 1248 P C -0.530 176.744 177.300 -0.044 0.000 1.183 1248 P CA 0.874 63.962 63.100 -0.019 0.000 0.763 1248 P CB 0.701 32.394 31.700 -0.012 0.000 0.807 1249 N N 2.592 121.240 118.700 -0.086 0.000 2.546 1249 N HA 0.061 4.801 4.740 -0.000 0.000 0.238 1249 N C 1.201 176.612 175.510 -0.164 0.000 0.984 1249 N CA -0.645 52.306 53.050 -0.165 0.000 0.935 1249 N CB 0.589 38.894 38.487 -0.303 0.000 1.122 1249 N HN 0.259 nan 8.380 nan 0.000 0.510 1250 K N 2.057 122.386 120.400 -0.119 0.000 2.515 1250 K HA -0.048 4.271 4.320 -0.000 0.000 0.196 1250 K C 0.370 176.913 176.600 -0.096 0.000 1.038 1250 K CA 0.968 57.202 56.287 -0.088 0.000 0.967 1250 K CB 0.128 32.597 32.500 -0.052 0.000 0.780 1250 K HN 0.372 nan 8.250 nan 0.000 0.483 1251 K N 0.529 120.830 120.400 -0.166 0.000 2.404 1251 K HA 0.193 4.513 4.320 -0.000 0.000 0.194 1251 K C 0.015 176.637 176.600 0.037 0.000 1.023 1251 K CA -0.021 56.217 56.287 -0.083 0.000 1.094 1251 K CB 0.807 33.119 32.500 -0.313 0.000 0.841 1251 K HN 0.258 nan 8.250 nan 0.000 0.523 1252 A N 0.905 123.651 122.820 -0.122 0.000 2.527 1252 A HA 0.410 4.730 4.320 -0.000 0.000 0.293 1252 A C -0.951 176.522 177.584 -0.186 0.000 1.117 1252 A CA -0.918 51.057 52.037 -0.104 0.000 0.723 1252 A CB 0.812 19.752 19.000 -0.099 0.000 1.313 1252 A HN 0.164 nan 8.150 nan 0.000 0.411 1253 I N 1.189 121.602 120.570 -0.261 0.000 2.996 1253 I HA -0.012 4.158 4.170 -0.000 0.000 0.310 1253 I C 0.260 176.242 176.117 -0.226 0.000 1.225 1253 I CA 1.375 62.434 61.300 -0.401 0.000 1.442 1253 I CB -1.144 36.607 38.000 -0.415 0.000 1.334 1253 I HN 0.652 nan 8.210 nan 0.000 0.550 1254 Y N 5.696 125.885 120.300 -0.185 0.000 3.617 1254 Y HA -0.290 4.260 4.550 -0.000 0.000 0.215 1254 Y C 1.426 177.267 175.900 -0.098 0.000 1.178 1254 Y CA 0.426 58.452 58.100 -0.124 0.000 1.517 1254 Y CB -1.767 36.639 38.460 -0.090 0.000 1.457 1254 Y HN 1.073 nan 8.280 nan 0.000 0.615 1255 A N -1.093 121.730 122.820 0.004 0.000 2.847 1255 A HA -0.256 4.064 4.320 -0.000 0.000 0.263 1255 A C 0.938 178.492 177.584 -0.050 0.000 1.391 1255 A CA 1.083 53.097 52.037 -0.038 0.000 0.866 1255 A CB -1.939 17.056 19.000 -0.009 0.000 1.057 1255 A HN 1.212 nan 8.150 nan 0.000 0.673 1256 S N -1.168 114.504 115.700 -0.046 0.000 2.713 1256 S HA 0.815 5.285 4.470 -0.000 0.000 0.277 1256 S C -0.109 174.444 174.600 -0.077 0.000 1.168 1256 S CA -0.237 57.942 58.200 -0.035 0.000 0.994 1256 S CB 1.533 64.733 63.200 0.001 0.000 1.054 1256 S HN 0.554 nan 8.310 nan 0.000 0.555 1257 K N -0.417 119.978 120.400 -0.008 0.000 2.469 1257 K HA 0.639 4.959 4.320 -0.000 0.000 0.254 1257 K C -0.794 175.895 176.600 0.148 0.000 0.939 1257 K CA -0.853 55.483 56.287 0.082 0.000 0.812 1257 K CB 2.237 34.791 32.500 0.090 0.000 1.301 1257 K HN 0.845 nan 8.250 nan 0.000 0.433 1258 A N 1.119 124.088 122.820 0.248 0.000 2.498 1258 A HA 0.147 4.467 4.320 -0.000 0.000 0.239 1258 A C 0.570 178.190 177.584 0.059 0.000 1.068 1258 A CA 0.032 52.131 52.037 0.104 0.000 0.766 1258 A CB 0.532 19.556 19.000 0.040 0.000 1.003 1258 A HN 0.534 nan 8.150 nan 0.000 0.497 1259 V N 2.574 122.496 119.914 0.014 0.000 3.426 1259 V HA 0.224 4.344 4.120 -0.000 0.000 0.279 1259 V C 1.773 177.848 176.094 -0.032 0.000 1.544 1259 V CA 1.468 63.766 62.300 -0.003 0.000 1.017 1259 V CB -0.346 31.479 31.823 0.004 0.000 0.821 1259 V HN 1.157 nan 8.190 nan 0.000 0.432 1260 G N 0.663 109.442 108.800 -0.036 0.000 2.631 1260 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.219 1260 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.219 1260 G C 1.199 176.058 174.900 -0.069 0.000 1.214 1260 G CA 1.742 46.822 45.100 -0.033 0.000 0.785 1260 G HN 0.613 nan 8.290 nan 0.000 0.596 1261 E N 0.426 120.506 120.200 -0.201 0.000 2.201 1261 E HA 0.039 4.389 4.350 -0.000 0.000 0.193 1261 E C -0.089 176.137 176.600 -0.622 0.000 0.957 1261 E CA 0.075 56.238 56.400 -0.396 0.000 0.858 1261 E CB -0.071 29.281 29.700 -0.580 0.000 0.816 1261 E HN 0.287 nan 8.360 nan 0.000 0.475 1262 P HA -0.196 nan 4.420 nan 0.000 0.220 1262 P C -1.649 175.578 177.300 -0.121 0.000 1.155 1262 P CA 2.027 64.860 63.100 -0.445 0.000 0.880 1262 P CB -0.800 30.817 31.700 -0.137 0.000 0.790 1263 P HA -0.049 nan 4.420 nan 0.000 0.225 1263 P C 1.583 178.974 177.300 0.151 0.000 1.156 1263 P CA 0.600 63.760 63.100 0.100 0.000 0.787 1263 P CB -0.403 31.365 31.700 0.112 0.000 0.802 1264 L N -1.154 120.112 121.223 0.070 0.000 1.990 1264 L HA -0.210 4.130 4.340 -0.000 0.000 0.213 1264 L C 2.201 179.169 176.870 0.162 0.000 1.072 1264 L CA 1.758 56.648 54.840 0.082 0.000 0.755 1264 L CB -0.783 41.289 42.059 0.020 0.000 0.889 1264 L HN -0.094 nan 8.230 nan 0.000 0.432 1265 F N 0.088 120.103 119.950 0.108 0.000 2.307 1265 F HA -0.213 4.314 4.527 -0.000 0.000 0.301 1265 F C 1.915 177.853 175.800 0.229 0.000 1.076 1265 F CA 1.291 59.426 58.000 0.225 0.000 1.383 1265 F CB -0.305 38.807 39.000 0.187 0.000 1.055 1265 F HN 0.031 nan 8.300 nan 0.000 0.526 1266 L N -0.290 120.986 121.223 0.089 0.000 2.450 1266 L HA -0.141 4.199 4.340 -0.000 0.000 0.224 1266 L C 2.582 179.511 176.870 0.098 0.000 1.149 1266 L CA 0.900 55.806 54.840 0.110 0.000 0.816 1266 L CB -1.430 40.834 42.059 0.342 0.000 0.932 1266 L HN 0.326 nan 8.230 nan 0.000 0.449 1267 G N -0.358 108.347 108.800 -0.159 0.000 2.509 1267 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.218 1267 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.218 1267 G C 1.703 176.472 174.900 -0.219 0.000 1.124 1267 G CA 0.624 45.383 45.100 -0.567 0.000 0.776 1267 G HN 0.461 nan 8.290 nan 0.000 0.547 1268 A N 1.347 123.930 122.820 -0.394 0.000 2.121 1268 A HA 0.040 4.360 4.320 -0.000 0.000 0.218 1268 A C 2.636 180.162 177.584 -0.098 0.000 1.154 1268 A CA 1.952 53.583 52.037 -0.677 0.000 0.679 1268 A CB -0.496 17.724 19.000 -1.301 0.000 0.795 1268 A HN 0.640 nan 8.150 nan 0.000 0.458 1269 S N -0.355 115.331 115.700 -0.023 0.000 2.419 1269 S HA -0.125 4.345 4.470 -0.000 0.000 0.233 1269 S C 1.642 176.337 174.600 0.158 0.000 1.016 1269 S CA 1.430 59.714 58.200 0.140 0.000 0.974 1269 S CB -0.784 62.522 63.200 0.177 0.000 0.786 1269 S HN 0.264 nan 8.310 nan 0.000 0.492 1270 V N 0.868 120.846 119.914 0.107 0.000 2.453 1270 V HA -0.019 4.101 4.120 -0.000 0.000 0.247 1270 V C 2.033 178.127 176.094 0.000 0.000 1.048 1270 V CA 1.720 64.063 62.300 0.072 0.000 1.049 1270 V CB -1.020 30.837 31.823 0.057 0.000 0.672 1270 V HN 0.548 nan 8.190 nan 0.000 0.457 1271 F N 0.756 120.597 119.950 -0.182 0.000 2.075 1271 F HA -0.199 4.328 4.527 -0.000 0.000 0.297 1271 F C 2.014 177.591 175.800 -0.372 0.000 1.113 1271 F CA 1.908 59.710 58.000 -0.330 0.000 1.218 1271 F CB -0.326 38.351 39.000 -0.539 0.000 0.984 1271 F HN 0.145 nan 8.300 nan 0.000 0.472 1272 F N 0.192 120.246 119.950 0.172 0.000 2.407 1272 F HA 0.017 4.543 4.527 -0.000 0.000 0.299 1272 F C 2.398 178.186 175.800 -0.021 0.000 1.097 1272 F CA 0.728 58.773 58.000 0.075 0.000 1.422 1272 F CB -1.008 38.048 39.000 0.093 0.000 1.067 1272 F HN 0.082 nan 8.300 nan 0.000 0.539 1273 A N 0.323 123.200 122.820 0.095 0.000 1.929 1273 A HA -0.073 4.247 4.320 -0.000 0.000 0.216 1273 A C 2.205 179.762 177.584 -0.045 0.000 1.176 1273 A CA 1.141 53.205 52.037 0.044 0.000 0.628 1273 A CB -0.846 18.180 19.000 0.043 0.000 0.816 1273 A HN 0.361 nan 8.150 nan 0.000 0.444 1274 I N -0.554 119.920 120.570 -0.161 0.000 2.226 1274 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 1274 I C 2.544 178.544 176.117 -0.194 0.000 1.100 1274 I CA 1.751 62.904 61.300 -0.246 0.000 1.374 1274 I CB -0.200 37.531 38.000 -0.447 0.000 1.057 1274 I HN 0.348 nan 8.210 nan 0.000 0.413 1275 K N 0.737 120.988 120.400 -0.249 0.000 2.097 1275 K HA -0.267 4.053 4.320 -0.000 0.000 0.206 1275 K C 1.761 178.407 176.600 0.075 0.000 1.049 1275 K CA 1.981 58.213 56.287 -0.092 0.000 0.933 1275 K CB -0.081 32.312 32.500 -0.178 0.000 0.717 1275 K HN 0.182 nan 8.250 nan 0.000 0.442 1276 D N -0.019 120.413 120.400 0.053 0.000 2.117 1276 D HA -0.120 4.520 4.640 -0.000 0.000 0.197 1276 D C 1.646 177.983 176.300 0.060 0.000 0.987 1276 D CA 1.451 55.498 54.000 0.078 0.000 0.829 1276 D CB -0.012 40.830 40.800 0.070 0.000 0.961 1276 D HN 0.301 nan 8.370 nan 0.000 0.460 1277 A N 0.151 122.987 122.820 0.025 0.000 1.902 1277 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 1277 A C 2.453 180.048 177.584 0.018 0.000 1.181 1277 A CA 1.154 53.203 52.037 0.020 0.000 0.623 1277 A CB -0.795 18.205 19.000 0.001 0.000 0.818 1277 A HN 0.373 nan 8.150 nan 0.000 0.443 1278 I N -1.063 119.516 120.570 0.016 0.000 2.286 1278 I HA -0.261 3.909 4.170 -0.000 0.000 0.248 1278 I C 2.690 178.785 176.117 -0.038 0.000 1.115 1278 I CA 1.696 62.980 61.300 -0.027 0.000 1.392 1278 I CB -0.288 37.700 38.000 -0.019 0.000 1.065 1278 I HN 0.362 nan 8.210 nan 0.000 0.418 1279 R N 1.198 121.757 120.500 0.098 0.000 2.105 1279 R HA -0.180 4.160 4.340 -0.000 0.000 0.239 1279 R C 2.340 178.657 176.300 0.028 0.000 1.135 1279 R CA 1.638 57.812 56.100 0.124 0.000 0.967 1279 R CB -0.250 30.174 30.300 0.205 0.000 0.861 1279 R HN 0.364 nan 8.270 nan 0.000 0.442 1280 A N 0.312 123.143 122.820 0.017 0.000 1.930 1280 A HA -0.050 4.270 4.320 -0.000 0.000 0.217 1280 A C 2.310 179.854 177.584 -0.067 0.000 1.175 1280 A CA 1.520 53.548 52.037 -0.015 0.000 0.627 1280 A CB -0.721 18.282 19.000 0.005 0.000 0.815 1280 A HN 0.524 nan 8.150 nan 0.000 0.443 1281 A N -0.078 122.704 122.820 -0.062 0.000 1.898 1281 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 1281 A C 2.227 179.745 177.584 -0.109 0.000 1.181 1281 A CA 1.426 53.410 52.037 -0.088 0.000 0.620 1281 A CB -0.419 18.563 19.000 -0.030 0.000 0.819 1281 A HN 0.539 nan 8.150 nan 0.000 0.442 1282 R N -0.506 119.929 120.500 -0.109 0.000 2.115 1282 R HA -0.014 4.326 4.340 -0.000 0.000 0.230 1282 R C 2.331 178.581 176.300 -0.083 0.000 1.111 1282 R CA 1.055 57.090 56.100 -0.108 0.000 0.976 1282 R CB -0.377 29.823 30.300 -0.166 0.000 0.870 1282 R HN 0.500 nan 8.270 nan 0.000 0.445 1283 A N 0.653 123.425 122.820 -0.081 0.000 2.014 1283 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 1283 A C 2.062 179.564 177.584 -0.137 0.000 1.163 1283 A CA 1.115 53.107 52.037 -0.075 0.000 0.652 1283 A CB -0.204 18.765 19.000 -0.051 0.000 0.808 1283 A HN 0.200 nan 8.150 nan 0.000 0.449 1284 Q N -0.722 118.941 119.800 -0.229 0.000 2.049 1284 Q HA -0.110 4.230 4.340 -0.000 0.000 0.198 1284 Q C 1.292 176.965 176.000 -0.545 0.000 0.971 1284 Q CA 2.284 57.819 55.803 -0.447 0.000 0.833 1284 Q CB -0.233 28.121 28.738 -0.640 0.000 0.896 1284 Q HN 0.823 nan 8.270 nan 0.000 0.434 1285 H N -2.458 116.527 119.070 -0.143 0.000 3.457 1285 H HA 0.304 4.860 4.556 -0.000 0.000 0.255 1285 H C 0.922 176.204 175.328 -0.078 0.000 1.082 1285 H CA 0.449 56.424 56.048 -0.122 0.000 1.189 1285 H CB 0.965 30.644 29.762 -0.138 0.000 1.511 1285 H HN 0.107 nan 8.280 nan 0.000 0.527 1286 T N 0.325 114.892 114.554 0.023 0.000 3.311 1286 T HA 0.041 4.391 4.350 -0.000 0.000 0.202 1286 T C 0.856 175.552 174.700 -0.008 0.000 0.880 1286 T CA 0.230 62.329 62.100 -0.002 0.000 2.029 1286 T CB -0.050 68.795 68.868 -0.037 0.000 1.693 1286 T HN 0.173 nan 8.240 nan 0.000 0.438 1287 N N 1.143 119.835 118.700 -0.014 0.000 2.717 1287 N HA 0.368 5.108 4.740 -0.000 0.000 0.314 1287 N C 0.141 175.646 175.510 -0.008 0.000 1.324 1287 N CA -0.533 52.515 53.050 -0.004 0.000 0.902 1287 N CB 0.404 38.897 38.487 0.010 0.000 1.126 1287 N HN 0.216 nan 8.380 nan 0.000 0.579 1288 N N -0.383 118.317 118.700 0.001 0.000 2.118 1288 N HA -0.001 4.739 4.740 -0.000 0.000 0.226 1288 N C -0.763 174.754 175.510 0.012 0.000 1.305 1288 N CA -0.083 52.967 53.050 -0.001 0.000 0.890 1288 N CB 0.384 38.870 38.487 -0.002 0.000 1.118 1288 N HN 0.430 nan 8.380 nan 0.000 0.511 1289 N N 1.334 120.048 118.700 0.023 0.000 2.439 1289 N HA 0.112 4.852 4.740 -0.000 0.000 0.243 1289 N C 0.835 176.373 175.510 0.047 0.000 1.088 1289 N CA 0.302 53.373 53.050 0.035 0.000 0.940 1289 N CB 0.652 39.164 38.487 0.042 0.000 1.180 1289 N HN -0.126 nan 8.380 nan 0.000 0.505 1290 T N 2.672 117.252 114.554 0.043 0.000 2.849 1290 T HA -0.098 4.252 4.350 -0.000 0.000 0.270 1290 T C 0.926 175.668 174.700 0.070 0.000 1.066 1290 T CA 1.326 63.457 62.100 0.052 0.000 1.130 1290 T CB 0.030 68.924 68.868 0.043 0.000 0.864 1290 T HN 0.522 nan 8.240 nan 0.000 0.481 1291 K N 0.909 121.353 120.400 0.073 0.000 2.437 1291 K HA 0.160 4.480 4.320 -0.000 0.000 0.205 1291 K C 0.455 177.114 176.600 0.099 0.000 1.026 1291 K CA -0.164 56.175 56.287 0.086 0.000 1.153 1291 K CB 0.491 33.041 32.500 0.083 0.000 0.863 1291 K HN 0.276 nan 8.250 nan 0.000 0.502 1292 E N 1.947 122.209 120.200 0.104 0.000 2.360 1292 E HA 0.076 4.426 4.350 -0.000 0.000 0.269 1292 E C -0.864 175.833 176.600 0.162 0.000 1.022 1292 E CA 0.046 56.518 56.400 0.120 0.000 0.887 1292 E CB 0.624 30.391 29.700 0.112 0.000 0.990 1292 E HN 0.162 nan 8.360 nan 0.000 0.426 1293 L N 5.551 126.866 121.223 0.153 0.000 2.317 1293 L HA 0.469 4.809 4.340 -0.000 0.000 0.281 1293 L C -0.172 176.821 176.870 0.205 0.000 1.024 1293 L CA -1.056 53.868 54.840 0.140 0.000 0.810 1293 L CB 0.721 42.841 42.059 0.102 0.000 1.240 1293 L HN 0.439 nan 8.230 nan 0.000 0.427 1294 F N 0.489 120.492 119.950 0.088 0.000 2.565 1294 F HA 0.659 5.186 4.527 -0.000 0.000 0.313 1294 F C -0.366 175.498 175.800 0.107 0.000 1.091 1294 F CA -1.215 56.835 58.000 0.082 0.000 0.915 1294 F CB 1.247 40.282 39.000 0.059 0.000 1.208 1294 F HN 0.370 nan 8.300 nan 0.000 0.453 1295 R N 3.202 123.813 120.500 0.185 0.000 2.390 1295 R HA 0.639 4.979 4.340 -0.000 0.000 0.291 1295 R C -1.817 174.608 176.300 0.208 0.000 1.070 1295 R CA -0.633 55.542 56.100 0.125 0.000 1.014 1295 R CB 1.089 31.496 30.300 0.178 0.000 1.007 1295 R HN 0.897 nan 8.270 nan 0.000 0.466 1296 L N 4.711 126.026 121.223 0.154 0.000 2.518 1296 L HA 0.367 4.707 4.340 -0.000 0.000 0.262 1296 L C -1.470 175.654 176.870 0.423 0.000 0.982 1296 L CA -0.456 54.544 54.840 0.266 0.000 0.873 1296 L CB 1.518 43.675 42.059 0.164 0.000 1.198 1296 L HN 0.686 nan 8.230 nan 0.000 0.427 1297 D N 1.473 122.107 120.400 0.390 0.000 2.383 1297 D HA 0.287 4.927 4.640 -0.000 0.000 0.248 1297 D C -0.346 176.222 176.300 0.447 0.000 1.170 1297 D CA -0.012 54.253 54.000 0.442 0.000 0.977 1297 D CB 1.690 42.729 40.800 0.399 0.000 1.120 1297 D HN 0.441 nan 8.370 nan 0.000 0.481 1298 S N 0.216 116.057 115.700 0.235 0.000 2.525 1298 S HA 0.500 4.970 4.470 -0.000 0.000 0.290 1298 S C -2.640 171.976 174.600 0.026 0.000 1.152 1298 S CA -1.472 56.729 58.200 0.002 0.000 1.072 1298 S CB 1.225 64.008 63.200 -0.694 0.000 1.027 1298 S HN 0.164 nan 8.310 nan 0.000 0.500 1299 P HA 0.269 nan 4.420 nan 0.000 0.282 1299 P C -1.239 176.149 177.300 0.146 0.000 1.249 1299 P CA -0.539 62.600 63.100 0.066 0.000 0.806 1299 P CB 0.961 32.646 31.700 -0.025 0.000 0.984 1300 A N 2.781 125.723 122.820 0.202 0.000 2.990 1300 A HA 0.356 4.675 4.320 -0.000 0.000 0.282 1300 A C 1.018 178.574 177.584 -0.047 0.000 1.688 1300 A CA -0.178 51.876 52.037 0.028 0.000 1.391 1300 A CB -1.376 17.473 19.000 -0.253 0.000 1.112 1300 A HN 0.611 nan 8.150 nan 0.000 0.588 1301 T N -0.664 113.871 114.554 -0.033 0.000 2.754 1301 T HA 0.369 4.719 4.350 -0.000 0.000 0.286 1301 T C -1.343 173.287 174.700 -0.116 0.000 0.997 1301 T CA -1.237 60.832 62.100 -0.052 0.000 0.982 1301 T CB 0.629 69.472 68.868 -0.042 0.000 1.027 1301 T HN 0.264 nan 8.240 nan 0.000 0.529 1302 P HA -0.148 nan 4.420 nan 0.000 0.218 1302 P C 1.346 178.306 177.300 -0.567 0.000 1.148 1302 P CA 1.259 64.276 63.100 -0.139 0.000 0.822 1302 P CB 0.113 31.851 31.700 0.062 0.000 0.784 1303 E N 1.085 120.758 120.200 -0.878 0.000 2.031 1303 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 1303 E C 1.974 178.188 176.600 -0.643 0.000 0.994 1303 E CA 1.386 56.924 56.400 -1.436 0.000 0.800 1303 E CB -0.210 29.046 29.700 -0.739 0.000 0.752 1303 E HN 0.144 nan 8.360 nan 0.000 0.447 1304 K N 0.174 120.388 120.400 -0.310 0.000 2.057 1304 K HA -0.101 4.219 4.320 -0.000 0.000 0.206 1304 K C 2.315 178.842 176.600 -0.121 0.000 1.050 1304 K CA 1.355 57.561 56.287 -0.135 0.000 0.935 1304 K CB -0.144 32.337 32.500 -0.031 0.000 0.715 1304 K HN 0.274 nan 8.250 nan 0.000 0.439 1305 I N 0.675 121.155 120.570 -0.151 0.000 2.142 1305 I HA -0.285 3.885 4.170 -0.000 0.000 0.240 1305 I C 2.640 178.711 176.117 -0.077 0.000 1.078 1305 I CA 1.077 62.312 61.300 -0.108 0.000 1.343 1305 I CB -0.195 37.746 38.000 -0.099 0.000 1.046 1305 I HN 0.082 nan 8.210 nan 0.000 0.405 1306 R N 1.703 122.152 120.500 -0.085 0.000 2.070 1306 R HA -0.160 4.180 4.340 -0.000 0.000 0.233 1306 R C 1.968 178.282 176.300 0.023 0.000 1.137 1306 R CA 1.858 57.974 56.100 0.027 0.000 0.945 1306 R CB -0.588 29.828 30.300 0.193 0.000 0.845 1306 R HN 0.292 nan 8.270 nan 0.000 0.430 1307 N N 0.283 118.970 118.700 -0.021 0.000 2.272 1307 N HA -0.134 4.606 4.740 -0.000 0.000 0.185 1307 N C 1.330 176.826 175.510 -0.025 0.000 1.014 1307 N CA 1.536 54.589 53.050 0.005 0.000 0.870 1307 N CB -0.374 38.109 38.487 -0.006 0.000 0.975 1307 N HN 0.407 nan 8.380 nan 0.000 0.433 1308 A N -0.261 122.520 122.820 -0.065 0.000 2.067 1308 A HA 0.003 4.323 4.320 -0.000 0.000 0.217 1308 A C 1.220 178.686 177.584 -0.197 0.000 1.156 1308 A CA 0.303 52.244 52.037 -0.160 0.000 0.683 1308 A CB -0.240 18.645 19.000 -0.191 0.000 0.808 1308 A HN 0.347 nan 8.150 nan 0.000 0.455 1309 C N 1.937 121.185 119.300 -0.086 0.000 3.057 1309 C HA 0.382 4.842 4.460 -0.000 0.000 0.563 1309 C C 0.675 175.680 174.990 0.025 0.000 1.129 1309 C CA -1.088 57.912 59.018 -0.030 0.000 1.284 1309 C CB -2.325 25.445 27.740 0.050 0.000 1.532 1309 C HN 0.315 nan 8.230 nan 0.000 0.631 1310 V N 4.211 124.112 119.914 -0.023 0.000 2.557 1310 V HA 0.146 4.266 4.120 -0.000 0.000 0.301 1310 V C 0.349 176.472 176.094 0.047 0.000 1.026 1310 V CA 1.049 63.352 62.300 0.006 0.000 1.137 1310 V CB 0.047 31.855 31.823 -0.026 0.000 0.917 1310 V HN 0.860 nan 8.190 nan 0.000 0.484 1311 D N 3.099 123.528 120.400 0.049 0.000 2.921 1311 D HA 0.246 4.886 4.640 -0.000 0.000 0.329 1311 D C 0.623 176.863 176.300 -0.100 0.000 1.293 1311 D CA -0.518 53.488 54.000 0.011 0.000 0.964 1311 D CB 0.667 41.520 40.800 0.089 0.000 1.435 1311 D HN 0.338 nan 8.370 nan 0.000 0.548 1312 K N -0.523 119.703 120.400 -0.289 0.000 2.362 1312 K HA 0.022 4.342 4.320 -0.000 0.000 0.200 1312 K C 1.118 177.404 176.600 -0.524 0.000 1.046 1312 K CA 1.009 57.029 56.287 -0.446 0.000 0.952 1312 K CB -0.457 31.674 32.500 -0.614 0.000 0.753 1312 K HN 0.283 nan 8.250 nan 0.000 0.466 1313 F N 2.322 122.189 119.950 -0.137 0.000 2.220 1313 F HA -0.061 4.466 4.527 -0.000 0.000 0.290 1313 F C 2.914 178.660 175.800 -0.089 0.000 1.080 1313 F CA 1.193 59.109 58.000 -0.140 0.000 1.318 1313 F CB -0.719 38.170 39.000 -0.185 0.000 1.063 1313 F HN 0.110 nan 8.300 nan 0.000 0.498 1314 T N -3.131 111.494 114.554 0.118 0.000 2.833 1314 T HA -0.146 4.204 4.350 -0.000 0.000 0.269 1314 T C 1.755 176.464 174.700 0.015 0.000 1.054 1314 T CA 1.825 63.962 62.100 0.061 0.000 1.135 1314 T CB -0.996 67.907 68.868 0.058 0.000 0.869 1314 T HN 0.145 nan 8.240 nan 0.000 0.466 1315 T N 1.543 116.087 114.554 -0.016 0.000 2.995 1315 T HA 0.272 4.622 4.350 -0.000 0.000 0.269 1315 T C 1.630 176.303 174.700 -0.046 0.000 1.091 1315 T CA 0.604 62.682 62.100 -0.037 0.000 1.128 1315 T CB -0.239 68.592 68.868 -0.061 0.000 0.891 1315 T HN 0.347 nan 8.240 nan 0.000 0.492 1316 L N 0.649 121.840 121.223 -0.052 0.000 2.463 1316 L HA 0.150 4.490 4.340 -0.000 0.000 0.219 1316 L C 1.592 178.444 176.870 -0.030 0.000 1.088 1316 L CA 0.353 55.163 54.840 -0.051 0.000 0.849 1316 L CB 0.079 42.093 42.059 -0.074 0.000 1.012 1316 L HN 0.394 nan 8.230 nan 0.000 0.468 1317 C N -1.342 117.949 119.300 -0.015 0.000 2.395 1317 C HA 0.458 4.918 4.460 -0.000 0.000 0.315 1317 C C 1.014 175.997 174.990 -0.012 0.000 1.399 1317 C CA -1.459 57.548 59.018 -0.018 0.000 1.788 1317 C CB -1.808 25.920 27.740 -0.020 0.000 2.564 1317 C HN -0.008 nan 8.230 nan 0.000 0.552 1318 V N 1.776 121.684 119.914 -0.011 0.000 3.005 1318 V HA -0.083 4.037 4.120 -0.000 0.000 0.287 1318 V C 1.464 177.557 176.094 -0.001 0.000 1.344 1318 V CA 1.584 63.881 62.300 -0.004 0.000 1.410 1318 V CB 0.011 31.830 31.823 -0.007 0.000 0.913 1318 V HN 0.757 nan 8.190 nan 0.000 0.525 1319 T N 4.556 119.114 114.554 0.007 0.000 2.972 1319 T HA 0.385 4.735 4.350 -0.000 0.000 0.245 1319 T C 0.572 175.274 174.700 0.004 0.000 0.977 1319 T CA 0.800 62.906 62.100 0.010 0.000 1.266 1319 T CB -1.814 67.064 68.868 0.018 0.000 0.985 1319 T HN 2.084 nan 8.240 nan 0.000 0.605 1320 G N 3.559 112.357 108.800 -0.003 0.000 2.825 1320 G HA2 0.314 4.274 3.960 -0.000 0.000 0.686 1320 G HA3 0.314 4.274 3.960 -0.000 0.000 0.686 1320 G C 0.202 175.099 174.900 -0.004 0.000 1.362 1320 G CA -0.337 44.760 45.100 -0.005 0.000 0.975 1320 G HN 2.171 nan 8.290 nan 0.000 0.594 1321 A N 1.926 124.742 122.820 -0.007 0.000 2.060 1321 A HA 0.053 4.373 4.320 -0.000 0.000 0.267 1321 A C -0.138 177.442 177.584 -0.006 0.000 1.378 1321 A CA 1.784 53.818 52.037 -0.005 0.000 0.733 1321 A CB -0.875 18.125 19.000 0.001 0.000 1.188 1321 A HN 1.447 nan 8.150 nan 0.000 0.311 1322 P HA 0.098 nan 4.420 nan 0.000 0.200 1322 P C 1.806 179.098 177.300 -0.013 0.000 1.072 1322 P CA 1.231 64.323 63.100 -0.014 0.000 0.721 1322 P CB -0.248 31.440 31.700 -0.021 0.000 0.730 1323 G N 1.104 109.894 108.800 -0.017 0.000 2.446 1323 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 1323 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 1323 G C 1.025 175.921 174.900 -0.007 0.000 1.168 1323 G CA 0.638 45.729 45.100 -0.015 0.000 0.771 1323 G HN 0.573 nan 8.290 nan 0.000 0.551 1324 N N -0.025 118.672 118.700 -0.005 0.000 3.193 1324 N HA 0.106 4.846 4.740 -0.000 0.000 0.312 1324 N C -0.048 175.466 175.510 0.006 0.000 1.261 1324 N CA 0.028 53.079 53.050 0.002 0.000 1.208 1324 N CB 0.133 38.619 38.487 -0.001 0.000 1.471 1324 N HN 0.133 nan 8.380 nan 0.000 0.548 1325 C N 0.695 120.000 119.300 0.009 0.000 3.797 1325 C HA 0.216 4.676 4.460 -0.000 0.000 0.321 1325 C C 0.067 175.068 174.990 0.019 0.000 2.729 1325 C CA -0.680 58.346 59.018 0.013 0.000 1.592 1325 C CB -0.897 26.847 27.740 0.007 0.000 3.301 1325 C HN 0.564 nan 8.230 nan 0.000 0.365 1326 K N 2.931 123.345 120.400 0.022 0.000 2.276 1326 K HA 0.415 4.735 4.320 -0.000 0.000 0.285 1326 K C -1.735 174.894 176.600 0.049 0.000 1.062 1326 K CA -0.675 55.627 56.287 0.024 0.000 0.918 1326 K CB 0.825 33.333 32.500 0.013 0.000 1.055 1326 K HN 0.432 nan 8.250 nan 0.000 0.477 1327 P HA -0.085 nan 4.420 nan 0.000 0.268 1327 P C 0.163 177.539 177.300 0.128 0.000 1.205 1327 P CA -0.318 62.838 63.100 0.092 0.000 0.771 1327 P CB 0.555 32.296 31.700 0.068 0.000 0.858 1328 W N 3.709 125.005 121.300 -0.006 0.000 2.321 1328 W HA -0.146 4.514 4.660 -0.000 0.000 0.306 1328 W C 0.365 176.881 176.519 -0.005 0.000 1.217 1328 W CA 1.922 59.263 57.345 -0.005 0.000 1.257 1328 W CB -0.094 29.363 29.460 -0.005 0.000 1.145 1328 W HN 0.534 nan 8.180 nan 0.000 0.509 1329 S N -0.460 115.269 115.700 0.048 0.000 2.564 1329 S HA 0.587 5.057 4.470 -0.000 0.000 0.274 1329 S C -1.501 173.084 174.600 -0.026 0.000 1.124 1329 S CA -1.094 57.019 58.200 -0.147 0.000 0.869 1329 S CB 2.231 65.335 63.200 -0.161 0.000 1.105 1329 S HN 0.090 nan 8.310 nan 0.000 0.472 1330 L N 1.653 122.838 121.223 -0.064 0.000 2.381 1330 L HA 0.597 4.937 4.340 -0.000 0.000 0.274 1330 L C 0.010 176.862 176.870 -0.029 0.000 0.988 1330 L CA -0.598 54.225 54.840 -0.028 0.000 0.824 1330 L CB 1.822 43.861 42.059 -0.035 0.000 1.263 1330 L HN 0.944 nan 8.230 nan 0.000 0.410 1331 R N 3.098 123.594 120.500 -0.007 0.000 2.698 1331 R HA 0.453 4.793 4.340 -0.000 0.000 0.266 1331 R C -0.232 176.060 176.300 -0.014 0.000 1.026 1331 R CA 0.992 57.089 56.100 -0.006 0.000 1.102 1331 R CB 0.416 30.719 30.300 0.006 0.000 0.978 1331 R HN 0.712 nan 8.270 nan 0.000 0.436 1332 V N 0.000 119.905 119.914 -0.014 0.000 2.409 1332 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 1332 V CA 0.000 62.291 62.300 -0.016 0.000 1.235 1332 V CB 0.000 31.816 31.823 -0.012 0.000 1.184 1332 V HN 0.000 nan 8.190 nan 0.000 0.556