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 3am9_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 FTTLCVTGXX XXXKPWSLRV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.523 177.584 -0.102 0.000 1.274 3 A CA 0.000 51.951 52.037 -0.143 0.000 0.836 3 A CB 0.000 18.877 19.000 -0.206 0.000 0.831 4 D N 1.051 121.426 120.400 -0.041 0.000 2.345 4 D HA -0.187 4.454 4.640 0.001 0.000 0.190 4 D C 0.556 176.984 176.300 0.214 0.000 1.024 4 D CA 1.652 55.686 54.000 0.057 0.000 0.893 4 D CB -0.075 40.762 40.800 0.061 0.000 0.907 4 D HN 0.713 nan 8.370 nan 0.000 0.452 5 E N -0.069 120.244 120.200 0.188 0.000 2.316 5 E HA 0.184 4.535 4.350 0.001 0.000 0.275 5 E C -0.384 176.438 176.600 0.370 0.000 1.029 5 E CA -0.493 56.050 56.400 0.238 0.000 0.871 5 E CB 1.170 30.977 29.700 0.178 0.000 1.022 5 E HN -0.029 nan 8.360 nan 0.000 0.418 6 L N 5.028 126.424 121.223 0.288 0.000 2.265 6 L HA 0.301 4.641 4.340 0.001 0.000 0.289 6 L C -1.285 175.782 176.870 0.327 0.000 1.033 6 L CA -0.556 54.456 54.840 0.288 0.000 0.814 6 L CB 1.320 43.284 42.059 -0.158 0.000 1.203 6 L HN 0.202 nan 8.230 nan 0.000 0.423 7 V N 7.116 127.313 119.914 0.472 0.000 2.444 7 V HA 0.635 4.755 4.120 0.001 0.000 0.294 7 V C -0.275 175.955 176.094 0.226 0.000 1.022 7 V CA -0.433 61.977 62.300 0.183 0.000 0.850 7 V CB 0.928 32.859 31.823 0.180 0.000 0.992 7 V HN 0.740 nan 8.190 nan 0.000 0.426 8 F N 2.567 122.452 119.950 -0.108 0.000 2.923 8 F HA 0.883 5.410 4.527 0.001 0.000 0.323 8 F C -1.875 173.800 175.800 -0.208 0.000 1.189 8 F CA -1.439 56.552 58.000 -0.015 0.000 0.930 8 F CB 1.543 40.545 39.000 0.004 0.000 1.414 8 F HN 0.235 nan 8.300 nan 0.000 0.496 9 F N 0.935 120.919 119.950 0.057 0.000 2.551 9 F HA 0.730 5.258 4.527 0.001 0.000 0.316 9 F C -0.787 175.024 175.800 0.018 0.000 1.089 9 F CA -1.144 56.805 58.000 -0.085 0.000 0.915 9 F CB 2.389 41.315 39.000 -0.124 0.000 1.186 9 F HN 0.370 nan 8.300 nan 0.000 0.456 10 V N 3.483 123.451 119.914 0.091 0.000 2.447 10 V HA 0.293 4.414 4.120 0.001 0.000 0.292 10 V C -0.646 175.486 176.094 0.063 0.000 1.021 10 V CA -1.238 61.124 62.300 0.102 0.000 0.850 10 V CB 1.362 33.233 31.823 0.079 0.000 1.005 10 V HN 0.832 nan 8.190 nan 0.000 0.426 11 N N 4.014 122.749 118.700 0.058 0.000 2.740 11 N HA -0.209 4.532 4.740 0.001 0.000 0.248 11 N C 1.193 176.725 175.510 0.036 0.000 1.062 11 N CA 1.678 54.741 53.050 0.023 0.000 0.704 11 N CB -1.151 37.335 38.487 -0.002 0.000 0.968 11 N HN 1.564 nan 8.380 nan 0.000 0.547 12 G N -1.207 107.636 108.800 0.071 0.000 2.179 12 G HA2 -0.380 3.581 3.960 0.001 0.000 0.260 12 G HA3 -0.380 3.581 3.960 0.001 0.000 0.260 12 G C -0.002 175.015 174.900 0.194 0.000 0.977 12 G CA 0.981 46.133 45.100 0.086 0.000 0.641 12 G HN 0.778 nan 8.290 nan 0.000 0.533 13 K N 0.479 120.964 120.400 0.140 0.000 2.270 13 K HA 0.611 4.932 4.320 0.001 0.000 0.255 13 K C 0.208 176.668 176.600 -0.232 0.000 0.936 13 K CA -0.947 55.351 56.287 0.019 0.000 0.809 13 K CB 1.035 33.510 32.500 -0.042 0.000 1.131 13 K HN 0.107 nan 8.250 nan 0.000 0.427 14 K N 2.720 122.843 120.400 -0.462 0.000 2.270 14 K HA 0.200 4.520 4.320 0.001 0.000 0.276 14 K C -1.214 174.985 176.600 -0.669 0.000 1.023 14 K CA -0.517 55.136 56.287 -1.057 0.000 0.955 14 K CB 0.941 32.908 32.500 -0.888 0.000 0.975 14 K HN 0.352 nan 8.250 nan 0.000 0.471 15 V N 5.003 124.433 119.914 -0.806 0.000 2.444 15 V HA 0.248 4.368 4.120 0.001 0.000 0.294 15 V C -0.792 174.998 176.094 -0.507 0.000 1.022 15 V CA -0.941 60.977 62.300 -0.636 0.000 0.850 15 V CB 1.719 32.929 31.823 -1.021 0.000 0.992 15 V HN 0.516 nan 8.190 nan 0.000 0.426 16 V N 4.090 123.842 119.914 -0.271 0.000 2.328 16 V HA 0.436 4.556 4.120 0.001 0.000 0.278 16 V C -0.136 175.925 176.094 -0.054 0.000 1.021 16 V CA -0.554 61.669 62.300 -0.127 0.000 0.838 16 V CB 1.544 33.323 31.823 -0.073 0.000 0.999 16 V HN 0.924 nan 8.190 nan 0.000 0.447 17 E N 4.151 124.344 120.200 -0.011 0.000 2.073 17 E HA 0.348 4.698 4.350 0.001 0.000 0.269 17 E C 0.652 177.285 176.600 0.056 0.000 0.917 17 E CA -0.253 56.172 56.400 0.043 0.000 0.757 17 E CB 1.297 31.017 29.700 0.034 0.000 1.111 17 E HN 0.511 nan 8.360 nan 0.000 0.410 18 K N 2.920 123.357 120.400 0.062 0.000 2.288 18 K HA 0.107 4.427 4.320 0.001 0.000 0.201 18 K C 0.032 176.683 176.600 0.086 0.000 1.048 18 K CA 0.589 56.921 56.287 0.075 0.000 0.956 18 K CB 0.275 32.810 32.500 0.059 0.000 0.746 18 K HN 0.371 nan 8.250 nan 0.000 0.461 19 N N 0.831 119.574 118.700 0.072 0.000 2.723 19 N HA 0.154 4.894 4.740 0.001 0.000 0.290 19 N C -1.363 174.171 175.510 0.041 0.000 1.882 19 N CA -0.105 52.988 53.050 0.072 0.000 0.851 19 N CB 1.516 40.042 38.487 0.066 0.000 1.234 19 N HN 0.029 nan 8.380 nan 0.000 0.491 20 A N 0.811 123.619 122.820 -0.019 0.000 2.522 20 A HA 0.009 4.330 4.320 0.001 0.000 0.256 20 A C 0.329 177.853 177.584 -0.101 0.000 1.086 20 A CA 0.270 52.207 52.037 -0.167 0.000 0.763 20 A CB 0.246 18.915 19.000 -0.550 0.000 1.024 20 A HN 0.293 nan 8.150 nan 0.000 0.502 21 D N 3.442 123.794 120.400 -0.080 0.000 2.295 21 D HA 0.293 4.933 4.640 0.001 0.000 0.248 21 D C -1.776 174.458 176.300 -0.110 0.000 1.154 21 D CA -1.892 52.083 54.000 -0.041 0.000 0.857 21 D CB 1.460 42.258 40.800 -0.004 0.000 1.117 21 D HN 0.144 nan 8.370 nan 0.000 0.468 22 P HA -0.092 nan 4.420 nan 0.000 0.221 22 P C 0.469 177.756 177.300 -0.021 0.000 1.145 22 P CA 1.035 64.093 63.100 -0.070 0.000 0.795 22 P CB 0.317 32.168 31.700 0.250 0.000 0.775 23 E N -1.706 118.502 120.200 0.013 0.000 2.435 23 E HA 0.008 4.359 4.350 0.001 0.000 0.195 23 E C 0.108 176.692 176.600 -0.028 0.000 1.029 23 E CA 0.317 56.730 56.400 0.022 0.000 0.865 23 E CB -0.357 29.361 29.700 0.030 0.000 0.833 23 E HN 0.213 nan 8.360 nan 0.000 0.510 24 T N 2.734 117.248 114.554 -0.067 0.000 2.784 24 T HA 0.039 4.389 4.350 0.001 0.000 0.291 24 T C 0.437 175.087 174.700 -0.083 0.000 0.942 24 T CA 0.014 62.079 62.100 -0.058 0.000 1.161 24 T CB 0.578 69.427 68.868 -0.031 0.000 0.885 24 T HN 0.166 nan 8.240 nan 0.000 0.534 25 T N 1.686 116.218 114.554 -0.037 0.000 2.882 25 T HA 0.260 4.611 4.350 0.001 0.000 0.287 25 T C 1.424 176.113 174.700 -0.019 0.000 1.014 25 T CA -1.034 61.046 62.100 -0.033 0.000 1.049 25 T CB 0.695 69.567 68.868 0.006 0.000 1.001 25 T HN 0.254 nan 8.240 nan 0.000 0.525 26 L N 1.541 122.737 121.223 -0.045 0.000 2.081 26 L HA -0.001 4.339 4.340 0.001 0.000 0.212 26 L C 2.195 179.110 176.870 0.075 0.000 1.080 26 L CA 1.648 56.482 54.840 -0.010 0.000 0.754 26 L CB -1.324 40.705 42.059 -0.050 0.000 0.893 26 L HN 0.812 nan 8.230 nan 0.000 0.433 27 L N -0.365 120.888 121.223 0.050 0.000 2.017 27 L HA -0.092 4.249 4.340 0.001 0.000 0.208 27 L C 2.480 179.382 176.870 0.053 0.000 1.073 27 L CA 2.108 56.978 54.840 0.050 0.000 0.745 27 L CB -1.017 41.069 42.059 0.045 0.000 0.894 27 L HN 0.266 nan 8.230 nan 0.000 0.432 28 A N -1.643 121.205 122.820 0.047 0.000 1.930 28 A HA -0.262 4.059 4.320 0.001 0.000 0.217 28 A C 2.281 179.894 177.584 0.048 0.000 1.175 28 A CA 1.726 53.778 52.037 0.024 0.000 0.627 28 A CB -1.137 17.860 19.000 -0.004 0.000 0.815 28 A HN 0.610 nan 8.150 nan 0.000 0.443 29 Y N 0.338 120.624 120.300 -0.022 0.000 2.163 29 Y HA -0.127 4.424 4.550 0.001 0.000 0.288 29 Y C 2.040 177.951 175.900 0.018 0.000 1.136 29 Y CA 1.797 59.898 58.100 0.001 0.000 1.147 29 Y CB -0.221 38.256 38.460 0.027 0.000 0.987 29 Y HN 0.221 nan 8.280 nan 0.000 0.509 30 L N -0.412 120.912 121.223 0.169 0.000 2.017 30 L HA -0.253 4.088 4.340 0.001 0.000 0.208 30 L C 2.487 179.353 176.870 -0.007 0.000 1.073 30 L CA 1.740 56.632 54.840 0.087 0.000 0.745 30 L CB -0.433 41.682 42.059 0.092 0.000 0.894 30 L HN 0.144 nan 8.230 nan 0.000 0.432 31 R N -0.645 119.852 120.500 -0.005 0.000 2.093 31 R HA -0.007 4.333 4.340 0.001 0.000 0.224 31 R C 2.253 178.528 176.300 -0.041 0.000 1.101 31 R CA 0.840 56.932 56.100 -0.013 0.000 0.979 31 R CB -0.037 30.270 30.300 0.011 0.000 0.877 31 R HN 0.316 nan 8.270 nan 0.000 0.441 32 R N -0.431 120.024 120.500 -0.076 0.000 2.254 32 R HA 0.095 4.435 4.340 0.001 0.000 0.193 32 R C 1.756 177.964 176.300 -0.153 0.000 0.929 32 R CA 0.486 56.536 56.100 -0.083 0.000 1.038 32 R CB 0.311 30.566 30.300 -0.074 0.000 1.009 32 R HN -0.077 nan 8.270 nan 0.000 0.512 33 K N 0.455 120.684 120.400 -0.286 0.000 2.329 33 K HA 0.201 4.522 4.320 0.001 0.000 0.198 33 K C 1.374 177.772 176.600 -0.336 0.000 1.085 33 K CA 0.425 56.470 56.287 -0.404 0.000 0.961 33 K CB 0.526 32.519 32.500 -0.846 0.000 0.971 33 K HN -0.030 nan 8.250 nan 0.000 0.502 34 L N 0.066 121.110 121.223 -0.297 0.000 2.592 34 L HA 0.280 4.621 4.340 0.001 0.000 0.227 34 L C 0.682 177.493 176.870 -0.099 0.000 1.127 34 L CA 0.351 55.091 54.840 -0.168 0.000 0.884 34 L CB 0.119 42.127 42.059 -0.085 0.000 1.065 34 L HN 0.498 nan 8.230 nan 0.000 0.457 35 G N 1.555 110.299 108.800 -0.093 0.000 2.283 35 G HA2 -0.299 3.661 3.960 0.001 0.000 0.280 35 G HA3 -0.299 3.661 3.960 0.001 0.000 0.280 35 G C 0.090 174.966 174.900 -0.040 0.000 1.029 35 G CA 0.128 45.192 45.100 -0.060 0.000 0.840 35 G HN 0.311 nan 8.290 nan 0.000 0.505 36 L N -0.532 120.673 121.223 -0.030 0.000 2.321 36 L HA 0.451 4.792 4.340 0.001 0.000 0.272 36 L C 1.427 178.291 176.870 -0.009 0.000 1.050 36 L CA -0.748 54.082 54.840 -0.016 0.000 0.893 36 L CB 1.073 43.128 42.059 -0.006 0.000 1.272 36 L HN 0.107 nan 8.230 nan 0.000 0.435 37 R N 1.015 121.511 120.500 -0.005 0.000 2.334 37 R HA 0.099 4.440 4.340 0.001 0.000 0.220 37 R C 1.948 178.246 176.300 -0.003 0.000 0.917 37 R CA 0.304 56.407 56.100 0.005 0.000 1.073 37 R CB 0.312 30.626 30.300 0.024 0.000 1.056 37 R HN 0.736 nan 8.270 nan 0.000 0.506 38 G N 0.145 108.937 108.800 -0.014 0.000 2.422 38 G HA2 -0.160 3.801 3.960 0.001 0.000 0.218 38 G HA3 -0.160 3.801 3.960 0.001 0.000 0.218 38 G C 0.475 175.326 174.900 -0.080 0.000 1.140 38 G CA 0.480 45.561 45.100 -0.031 0.000 0.775 38 G HN 0.202 nan 8.290 nan 0.000 0.545 39 T N 2.069 116.586 114.554 -0.063 0.000 2.832 39 T HA 0.471 4.821 4.350 0.001 0.000 0.296 39 T C -0.151 174.484 174.700 -0.108 0.000 0.968 39 T CA -0.185 61.870 62.100 -0.075 0.000 1.107 39 T CB 1.578 70.430 68.868 -0.027 0.000 0.916 39 T HN -0.043 nan 8.240 nan 0.000 0.517 40 K N 1.949 122.240 120.400 -0.183 0.000 2.267 40 K HA 0.525 4.845 4.320 0.001 0.000 0.246 40 K C -0.718 175.842 176.600 -0.066 0.000 0.954 40 K CA -1.151 54.978 56.287 -0.262 0.000 0.824 40 K CB 2.127 34.125 32.500 -0.836 0.000 1.167 40 K HN 0.381 nan 8.250 nan 0.000 0.431 41 L N 0.784 122.046 121.223 0.064 0.000 2.276 41 L HA 0.467 4.807 4.340 0.001 0.000 0.286 41 L C 0.782 177.817 176.870 0.276 0.000 1.061 41 L CA 0.662 55.593 54.840 0.152 0.000 0.807 41 L CB 1.115 43.264 42.059 0.150 0.000 1.177 41 L HN 0.846 nan 8.230 nan 0.000 0.429 42 G N 2.045 110.989 108.800 0.242 0.000 2.695 42 G HA2 0.119 4.079 3.960 0.001 0.000 0.205 42 G HA3 0.119 4.079 3.960 0.001 0.000 0.205 42 G C 0.666 175.681 174.900 0.193 0.000 1.068 42 G CA 0.661 45.923 45.100 0.270 0.000 0.842 42 G HN 0.902 nan 8.290 nan 0.000 0.628 43 C N -3.838 115.591 119.300 0.215 0.000 4.811 43 C HA 0.533 4.994 4.460 0.001 0.000 0.521 43 C C 2.019 177.186 174.990 0.296 0.000 1.226 43 C CA 0.738 59.900 59.018 0.238 0.000 2.495 43 C CB 0.247 28.160 27.740 0.288 0.000 3.413 43 C HN 1.562 nan 8.230 nan 0.000 0.465 44 G N 2.625 111.585 108.800 0.268 0.000 2.162 44 G HA2 -0.275 3.686 3.960 0.001 0.000 0.260 44 G HA3 -0.275 3.686 3.960 0.001 0.000 0.260 44 G C 0.217 175.370 174.900 0.421 0.000 0.976 44 G CA 1.138 46.424 45.100 0.310 0.000 0.655 44 G HN 1.130 nan 8.290 nan 0.000 0.533 45 E N -1.428 118.958 120.200 0.310 0.000 2.758 45 E HA 0.461 4.812 4.350 0.001 0.000 0.215 45 E C 1.421 178.110 176.600 0.147 0.000 0.985 45 E CA 0.205 56.728 56.400 0.205 0.000 1.102 45 E CB 0.385 30.048 29.700 -0.062 0.000 1.042 45 E HN 1.488 nan 8.360 nan 0.000 0.480 46 G N 0.680 109.581 108.800 0.170 0.000 2.179 46 G HA2 -0.335 3.625 3.960 0.001 0.000 0.260 46 G HA3 -0.335 3.625 3.960 0.001 0.000 0.260 46 G C 0.913 175.900 174.900 0.145 0.000 0.977 46 G CA 0.085 45.275 45.100 0.150 0.000 0.641 46 G HN 0.541 nan 8.290 nan 0.000 0.533 47 G N -0.353 108.540 108.800 0.156 0.000 2.539 47 G HA2 0.167 4.127 3.960 0.001 0.000 0.215 47 G HA3 0.167 4.127 3.960 0.001 0.000 0.215 47 G C 1.892 176.907 174.900 0.191 0.000 1.141 47 G CA 2.121 47.313 45.100 0.153 0.000 0.806 47 G HN 1.522 nan 8.290 nan 0.000 0.533 48 C N -1.945 117.496 119.300 0.235 0.000 2.935 48 C HA 0.577 5.037 4.460 0.001 0.000 0.308 48 C C 2.264 177.408 174.990 0.256 0.000 1.263 48 C CA 0.531 59.717 59.018 0.281 0.000 1.738 48 C CB -0.080 27.883 27.740 0.371 0.000 2.237 48 C HN 1.105 nan 8.230 nan 0.000 0.600 49 G N 0.967 109.895 108.800 0.214 0.000 2.184 49 G HA2 -0.177 3.783 3.960 0.001 0.000 0.264 49 G HA3 -0.177 3.783 3.960 0.001 0.000 0.264 49 G C 1.219 176.216 174.900 0.162 0.000 0.975 49 G CA 0.745 45.960 45.100 0.191 0.000 0.642 49 G HN 1.487 nan 8.290 nan 0.000 0.536 50 A N -0.232 122.680 122.820 0.153 0.000 2.125 50 A HA 0.142 4.463 4.320 0.001 0.000 0.219 50 A C 2.443 180.033 177.584 0.011 0.000 1.156 50 A CA 2.342 54.422 52.037 0.071 0.000 0.671 50 A CB -0.808 18.228 19.000 0.060 0.000 0.794 50 A HN 1.818 nan 8.150 nan 0.000 0.459 51 C N -2.101 117.232 119.300 0.055 0.000 2.780 51 C HA 0.365 4.826 4.460 0.001 0.000 0.287 51 C C 0.804 175.822 174.990 0.046 0.000 1.288 51 C CA -0.500 58.541 59.018 0.037 0.000 1.713 51 C CB -2.083 25.695 27.740 0.064 0.000 1.955 51 C HN 0.303 nan 8.230 nan 0.000 0.613 52 T N 2.905 117.496 114.554 0.061 0.000 2.902 52 T HA 0.403 4.754 4.350 0.001 0.000 0.301 52 T C 0.356 175.076 174.700 0.034 0.000 1.012 52 T CA 0.858 62.996 62.100 0.064 0.000 1.151 52 T CB 0.617 69.541 68.868 0.095 0.000 0.946 52 T HN 0.878 nan 8.240 nan 0.000 0.542 53 V N 1.511 121.438 119.914 0.021 0.000 3.158 53 V HA 0.752 4.873 4.120 0.001 0.000 0.311 53 V C -0.535 175.549 176.094 -0.018 0.000 1.181 53 V CA -1.477 60.822 62.300 -0.003 0.000 1.054 53 V CB 2.300 34.119 31.823 -0.006 0.000 1.085 53 V HN 0.839 nan 8.190 nan 0.000 0.446 54 M N 1.942 121.527 119.600 -0.025 0.000 2.363 54 M HA 0.659 5.140 4.480 0.001 0.000 0.343 54 M C -1.593 174.637 176.300 -0.117 0.000 1.165 54 M CA -0.665 54.606 55.300 -0.048 0.000 1.046 54 M CB 1.434 34.065 32.600 0.051 0.000 1.648 54 M HN 0.722 nan 8.290 nan 0.000 0.452 55 L N 2.900 123.929 121.223 -0.323 0.000 2.329 55 L HA 0.607 4.947 4.340 0.001 0.000 0.279 55 L C -0.706 175.966 176.870 -0.330 0.000 1.014 55 L CA -0.643 53.943 54.840 -0.424 0.000 0.814 55 L CB 2.127 43.677 42.059 -0.847 0.000 1.257 55 L HN 0.672 nan 8.230 nan 0.000 0.424 56 S N 2.144 117.850 115.700 0.009 0.000 2.521 56 S HA 0.693 5.164 4.470 0.001 0.000 0.295 56 S C -0.981 173.812 174.600 0.321 0.000 1.098 56 S CA -0.925 57.395 58.200 0.201 0.000 0.999 56 S CB 2.167 65.677 63.200 0.516 0.000 1.034 56 S HN 0.662 nan 8.310 nan 0.000 0.483 57 K N 0.605 121.120 120.400 0.192 0.000 2.533 57 K HA 0.453 4.774 4.320 0.001 0.000 0.272 57 K C -1.758 174.804 176.600 -0.064 0.000 0.985 57 K CA -1.011 55.419 56.287 0.239 0.000 0.876 57 K CB 1.063 33.727 32.500 0.274 0.000 1.452 57 K HN 0.477 nan 8.250 nan 0.000 0.439 58 Y N 2.104 122.334 120.300 -0.116 0.000 2.480 58 Y HA 0.089 4.640 4.550 0.001 0.000 0.341 58 Y C -0.454 175.384 175.900 -0.104 0.000 1.031 58 Y CA -0.063 57.911 58.100 -0.209 0.000 1.295 58 Y CB 0.681 39.068 38.460 -0.121 0.000 1.162 58 Y HN 0.646 nan 8.280 nan 0.000 0.523 59 D N 6.202 126.209 120.400 -0.654 0.000 2.411 59 D HA 0.068 4.708 4.640 0.001 0.000 0.225 59 D C -0.437 175.432 176.300 -0.718 0.000 1.156 59 D CA -0.540 53.171 54.000 -0.481 0.000 0.874 59 D CB 0.428 41.041 40.800 -0.312 0.000 1.034 59 D HN 0.496 nan 8.370 nan 0.000 0.502 60 R N 4.889 125.148 120.500 -0.400 0.000 4.138 60 R HA 0.145 4.486 4.340 0.001 0.000 0.206 60 R C -0.155 176.092 176.300 -0.088 0.000 1.667 60 R CA -0.167 55.850 56.100 -0.139 0.000 1.481 60 R CB -0.981 29.463 30.300 0.240 0.000 1.388 60 R HN 0.493 nan 8.270 nan 0.000 0.776 61 L N 0.229 121.361 121.223 -0.151 0.000 2.683 61 L HA 0.082 4.423 4.340 0.001 0.000 0.312 61 L C 0.221 177.021 176.870 -0.118 0.000 1.110 61 L CA 1.075 55.855 54.840 -0.099 0.000 1.560 61 L CB -0.450 41.559 42.059 -0.083 0.000 2.641 61 L HN 0.476 nan 8.230 nan 0.000 0.526 62 Q N -0.089 119.602 119.800 -0.182 0.000 2.352 62 Q HA 0.130 4.470 4.340 0.001 0.000 0.212 62 Q C -0.304 175.580 176.000 -0.194 0.000 0.888 62 Q CA 0.544 56.245 55.803 -0.169 0.000 0.934 62 Q CB 0.816 29.442 28.738 -0.187 0.000 1.093 62 Q HN 0.469 nan 8.270 nan 0.000 0.523 63 D N 1.510 121.743 120.400 -0.279 0.000 2.705 63 D HA -0.181 4.459 4.640 0.001 0.000 0.240 63 D C -0.894 175.246 176.300 -0.266 0.000 1.137 63 D CA 1.188 55.036 54.000 -0.253 0.000 0.677 63 D CB -0.796 39.988 40.800 -0.027 0.000 1.049 63 D HN 0.169 nan 8.370 nan 0.000 0.427 64 K N 0.797 120.858 120.400 -0.565 0.000 2.557 64 K HA 0.303 4.624 4.320 0.001 0.000 0.261 64 K C -0.438 175.891 176.600 -0.452 0.000 0.932 64 K CA -0.967 55.112 56.287 -0.346 0.000 0.829 64 K CB 0.827 33.172 32.500 -0.259 0.000 1.358 64 K HN -0.043 nan 8.250 nan 0.000 0.430 65 I N 5.860 126.218 120.570 -0.353 0.000 2.587 65 I HA 0.096 4.266 4.170 0.001 0.000 0.284 65 I C 0.629 176.435 176.117 -0.518 0.000 1.134 65 I CA 0.154 61.121 61.300 -0.556 0.000 1.410 65 I CB -0.689 36.901 38.000 -0.683 0.000 1.392 65 I HN 0.494 nan 8.210 nan 0.000 0.545 66 I N 4.794 125.083 120.570 -0.467 0.000 2.562 66 I HA 0.558 4.728 4.170 0.001 0.000 0.301 66 I C -0.731 175.190 176.117 -0.325 0.000 1.003 66 I CA -0.561 60.546 61.300 -0.322 0.000 1.127 66 I CB 2.333 40.267 38.000 -0.110 0.000 1.304 66 I HN 0.362 nan 8.210 nan 0.000 0.446 67 H N 5.790 124.926 119.070 0.109 0.000 2.609 67 H HA 0.571 5.127 4.556 0.001 0.000 0.344 67 H C -1.298 174.139 175.328 0.182 0.000 1.040 67 H CA -0.376 55.719 56.048 0.077 0.000 1.216 67 H CB 1.808 31.565 29.762 -0.008 0.000 1.529 67 H HN 0.728 nan 8.280 nan 0.000 0.519 68 F N -0.227 119.780 119.950 0.095 0.000 2.643 68 F HA 0.626 5.153 4.527 0.001 0.000 0.314 68 F C -0.233 175.595 175.800 0.046 0.000 1.096 68 F CA -1.231 56.791 58.000 0.037 0.000 0.953 68 F CB 1.245 40.249 39.000 0.008 0.000 1.345 68 F HN 0.348 nan 8.300 nan 0.000 0.468 69 S N 1.153 116.940 115.700 0.146 0.000 2.687 69 S HA 0.956 5.427 4.470 0.001 0.000 0.283 69 S C -0.623 174.053 174.600 0.127 0.000 1.170 69 S CA -0.117 58.114 58.200 0.052 0.000 1.008 69 S CB 1.523 64.750 63.200 0.045 0.000 1.026 69 S HN 1.681 nan 8.310 nan 0.000 0.541 70 A N 1.287 124.151 122.820 0.074 0.000 2.604 70 A HA 0.604 4.924 4.320 0.001 0.000 0.295 70 A C -1.166 176.469 177.584 0.086 0.000 1.067 70 A CA -1.049 51.056 52.037 0.113 0.000 0.683 70 A CB 0.927 19.992 19.000 0.107 0.000 1.281 70 A HN 0.798 nan 8.150 nan 0.000 0.407 71 N N 1.506 120.268 118.700 0.103 0.000 2.401 71 N HA 0.297 5.038 4.740 0.001 0.000 0.255 71 N C 1.173 176.730 175.510 0.078 0.000 1.110 71 N CA 0.590 53.698 53.050 0.097 0.000 0.949 71 N CB 1.731 40.288 38.487 0.118 0.000 1.110 71 N HN 0.772 nan 8.380 nan 0.000 0.490 72 A N 1.941 124.797 122.820 0.059 0.000 2.019 72 A HA -0.168 4.152 4.320 0.001 0.000 0.219 72 A C 2.281 179.896 177.584 0.052 0.000 1.164 72 A CA 1.114 53.176 52.037 0.042 0.000 0.644 72 A CB -0.592 18.428 19.000 0.034 0.000 0.805 72 A HN 0.890 nan 8.150 nan 0.000 0.449 73 C N -2.086 117.259 119.300 0.075 0.000 2.437 73 C HA 0.258 4.719 4.460 0.001 0.000 0.283 73 C C 1.957 177.004 174.990 0.095 0.000 1.424 73 C CA 0.715 59.785 59.018 0.086 0.000 1.782 73 C CB -1.450 26.360 27.740 0.117 0.000 1.833 73 C HN 0.453 nan 8.230 nan 0.000 0.532 74 L N 0.402 121.685 121.223 0.100 0.000 2.701 74 L HA 0.361 4.702 4.340 0.001 0.000 0.238 74 L C 1.507 178.432 176.870 0.092 0.000 1.106 74 L CA 0.203 55.111 54.840 0.113 0.000 0.898 74 L CB -0.163 41.978 42.059 0.136 0.000 1.188 74 L HN 0.225 nan 8.230 nan 0.000 0.508 75 A N 1.666 124.523 122.820 0.062 0.000 2.350 75 A HA 0.465 4.785 4.320 0.001 0.000 0.293 75 A C -2.404 175.163 177.584 -0.028 0.000 1.231 75 A CA -1.099 50.958 52.037 0.034 0.000 0.883 75 A CB -0.398 18.610 19.000 0.014 0.000 1.133 75 A HN -0.103 nan 8.150 nan 0.000 0.533 76 P HA 0.120 nan 4.420 nan 0.000 0.276 76 P C 1.299 178.399 177.300 -0.333 0.000 1.235 76 P CA -0.390 62.613 63.100 -0.163 0.000 0.772 76 P CB 0.612 32.222 31.700 -0.150 0.000 0.871 77 I N 0.217 120.535 120.570 -0.421 0.000 2.399 77 I HA -0.269 3.902 4.170 0.001 0.000 0.254 77 I C 1.009 176.695 176.117 -0.718 0.000 1.146 77 I CA 1.649 62.575 61.300 -0.623 0.000 1.412 77 I CB -0.986 36.588 38.000 -0.711 0.000 1.076 77 I HN 0.163 nan 8.210 nan 0.000 0.432 78 C N 2.101 120.865 119.300 -0.894 0.000 2.449 78 C HA -0.052 4.409 4.460 0.001 0.000 0.283 78 C C 2.882 177.473 174.990 -0.665 0.000 1.453 78 C CA 1.427 59.726 59.018 -1.198 0.000 1.779 78 C CB -1.826 24.652 27.740 -2.103 0.000 1.779 78 C HN 0.730 nan 8.230 nan 0.000 0.546 79 T N -1.934 112.422 114.554 -0.329 0.000 3.088 79 T HA 0.119 4.470 4.350 0.001 0.000 0.259 79 T C 1.120 175.876 174.700 0.093 0.000 1.122 79 T CA 0.730 62.866 62.100 0.061 0.000 1.095 79 T CB -0.264 68.692 68.868 0.147 0.000 0.930 79 T HN 0.498 nan 8.240 nan 0.000 0.508 80 L N 0.548 121.717 121.223 -0.090 0.000 2.653 80 L HA 0.329 4.669 4.340 0.001 0.000 0.231 80 L C 0.739 177.680 176.870 0.118 0.000 1.153 80 L CA -0.539 54.257 54.840 -0.074 0.000 0.933 80 L CB -0.765 41.009 42.059 -0.475 0.000 1.175 80 L HN 0.299 nan 8.230 nan 0.000 0.473 81 H N 1.149 120.332 119.070 0.189 0.000 3.125 81 H HA -0.068 4.488 4.556 0.001 0.000 0.310 81 H C 0.402 176.004 175.328 0.458 0.000 0.980 81 H CA 0.865 57.123 56.048 0.349 0.000 1.422 81 H CB -0.215 29.835 29.762 0.481 0.000 1.432 81 H HN 0.199 nan 8.280 nan 0.000 0.577 82 H N 1.239 120.271 119.070 -0.063 0.000 2.839 82 H HA -0.149 4.408 4.556 0.001 0.000 0.298 82 H C -0.882 174.554 175.328 0.180 0.000 1.224 82 H CA 0.200 56.263 56.048 0.024 0.000 1.144 82 H CB -1.342 28.379 29.762 -0.068 0.000 1.372 82 H HN 0.192 nan 8.280 nan 0.000 0.408 83 V N 0.315 120.431 119.914 0.337 0.000 2.680 83 V HA 0.669 4.789 4.120 0.001 0.000 0.309 83 V C 0.133 176.393 176.094 0.277 0.000 1.052 83 V CA -0.222 62.245 62.300 0.279 0.000 0.908 83 V CB 1.926 33.876 31.823 0.211 0.000 1.001 83 V HN 0.406 nan 8.190 nan 0.000 0.431 84 A N 4.320 127.260 122.820 0.200 0.000 2.260 84 A HA 0.756 5.076 4.320 0.001 0.000 0.308 84 A C -0.552 177.119 177.584 0.145 0.000 1.254 84 A CA -0.390 51.739 52.037 0.153 0.000 0.874 84 A CB 0.828 19.780 19.000 -0.079 0.000 1.153 84 A HN 0.651 nan 8.150 nan 0.000 0.527 85 V N 2.606 122.623 119.914 0.171 0.000 2.481 85 V HA 0.508 4.628 4.120 0.001 0.000 0.286 85 V C 0.274 176.415 176.094 0.078 0.000 1.042 85 V CA -0.166 62.197 62.300 0.105 0.000 0.928 85 V CB 1.731 33.645 31.823 0.151 0.000 0.986 85 V HN 0.907 nan 8.190 nan 0.000 0.462 86 T N 3.261 117.833 114.554 0.030 0.000 2.809 86 T HA 0.518 4.869 4.350 0.001 0.000 0.284 86 T C 0.169 174.838 174.700 -0.052 0.000 0.992 86 T CA -0.507 61.582 62.100 -0.018 0.000 0.957 86 T CB 1.354 70.207 68.868 -0.026 0.000 0.942 86 T HN 0.920 nan 8.240 nan 0.000 0.439 87 T N -0.634 113.883 114.554 -0.060 0.000 2.910 87 T HA 0.418 4.768 4.350 0.001 0.000 0.279 87 T C 1.607 176.231 174.700 -0.127 0.000 0.989 87 T CA -0.637 61.423 62.100 -0.068 0.000 0.968 87 T CB 0.971 69.821 68.868 -0.031 0.000 1.135 87 T HN 0.191 nan 8.240 nan 0.000 0.562 88 V N 1.424 121.276 119.914 -0.103 0.000 2.469 88 V HA -0.156 3.965 4.120 0.001 0.000 0.251 88 V C 2.543 178.572 176.094 -0.109 0.000 1.064 88 V CA 2.507 64.737 62.300 -0.116 0.000 1.066 88 V CB -1.062 30.723 31.823 -0.063 0.000 0.667 88 V HN 0.942 nan 8.190 nan 0.000 0.461 89 E N 0.041 120.195 120.200 -0.077 0.000 2.358 89 E HA -0.010 4.340 4.350 0.001 0.000 0.195 89 E C 2.127 178.682 176.600 -0.076 0.000 1.010 89 E CA 1.095 57.458 56.400 -0.061 0.000 0.856 89 E CB -0.804 28.875 29.700 -0.036 0.000 0.795 89 E HN 0.601 nan 8.360 nan 0.000 0.504 90 G N 2.319 111.055 108.800 -0.106 0.000 2.509 90 G HA2 -0.087 3.873 3.960 0.001 0.000 0.218 90 G HA3 -0.087 3.873 3.960 0.001 0.000 0.218 90 G C 1.658 176.455 174.900 -0.171 0.000 1.124 90 G CA 0.798 45.828 45.100 -0.117 0.000 0.776 90 G HN 0.479 nan 8.290 nan 0.000 0.547 91 I N -3.702 116.721 120.570 -0.245 0.000 4.035 91 I HA 0.579 4.749 4.170 0.001 0.000 0.321 91 I C 0.714 176.783 176.117 -0.080 0.000 1.289 91 I CA 0.367 61.483 61.300 -0.307 0.000 1.236 91 I CB 0.854 38.386 38.000 -0.780 0.000 1.076 91 I HN 0.099 nan 8.210 nan 0.000 0.418 92 G N 0.895 109.668 108.800 -0.045 0.000 2.313 92 G HA2 0.446 4.406 3.960 0.001 0.000 0.296 92 G HA3 0.446 4.406 3.960 0.001 0.000 0.296 92 G C -1.353 173.550 174.900 0.005 0.000 1.356 92 G CA 0.039 45.150 45.100 0.018 0.000 0.833 92 G HN 0.628 nan 8.290 nan 0.000 0.552 93 S N -2.537 113.174 115.700 0.018 0.000 2.595 93 S HA 0.599 5.069 4.470 0.001 0.000 0.270 93 S C 0.914 175.527 174.600 0.021 0.000 1.145 93 S CA 0.930 59.139 58.200 0.015 0.000 0.825 93 S CB 1.010 64.213 63.200 0.004 0.000 1.107 93 S HN 2.196 nan 8.310 nan 0.000 0.461 94 T N -0.820 113.747 114.554 0.022 0.000 3.051 94 T HA 0.086 4.437 4.350 0.001 0.000 0.269 94 T C 1.090 175.800 174.700 0.017 0.000 1.127 94 T CA 0.877 62.991 62.100 0.024 0.000 1.107 94 T CB -0.536 68.350 68.868 0.030 0.000 0.898 94 T HN 0.658 nan 8.240 nan 0.000 0.517 95 K N 0.917 121.323 120.400 0.011 0.000 2.361 95 K HA 0.085 4.406 4.320 0.001 0.000 0.196 95 K C 2.147 178.751 176.600 0.006 0.000 1.039 95 K CA 1.209 57.499 56.287 0.004 0.000 1.001 95 K CB 0.206 32.705 32.500 -0.002 0.000 0.795 95 K HN 0.659 nan 8.250 nan 0.000 0.495 96 T N -1.728 112.832 114.554 0.010 0.000 3.330 96 T HA 0.206 4.557 4.350 0.001 0.000 0.185 96 T C 0.145 174.857 174.700 0.020 0.000 0.874 96 T CA -0.490 61.617 62.100 0.013 0.000 1.268 96 T CB 0.242 69.117 68.868 0.012 0.000 1.866 96 T HN -0.024 nan 8.240 nan 0.000 0.395 97 R N -0.025 120.490 120.500 0.026 0.000 2.584 97 R HA 0.574 4.914 4.340 0.001 0.000 0.276 97 R C -1.345 174.982 176.300 0.044 0.000 1.046 97 R CA -0.782 55.337 56.100 0.032 0.000 0.906 97 R CB 1.521 31.840 30.300 0.031 0.000 1.215 97 R HN 0.447 nan 8.270 nan 0.000 0.449 98 L N 3.721 124.971 121.223 0.046 0.000 2.483 98 L HA 0.124 4.465 4.340 0.001 0.000 0.276 98 L C 0.945 177.872 176.870 0.095 0.000 1.213 98 L CA -0.008 54.872 54.840 0.066 0.000 0.843 98 L CB 0.280 42.371 42.059 0.054 0.000 1.107 98 L HN 0.566 nan 8.230 nan 0.000 0.487 99 H N 4.144 123.232 119.070 0.029 0.000 2.607 99 H HA 0.074 4.631 4.556 0.001 0.000 0.367 99 H C -1.812 173.570 175.328 0.091 0.000 1.181 99 H CA -1.399 54.685 56.048 0.061 0.000 1.402 99 H CB 1.823 31.616 29.762 0.051 0.000 1.474 99 H HN 0.321 nan 8.280 nan 0.000 0.596 100 P HA -0.209 nan 4.420 nan 0.000 0.216 100 P C 1.748 179.214 177.300 0.275 0.000 1.154 100 P CA 1.214 64.309 63.100 -0.008 0.000 0.865 100 P CB 0.198 31.904 31.700 0.010 0.000 0.789 101 V N -0.491 119.760 119.914 0.561 0.000 2.332 101 V HA -0.307 3.814 4.120 0.001 0.000 0.248 101 V C 2.448 178.777 176.094 0.391 0.000 1.055 101 V CA 1.983 64.586 62.300 0.506 0.000 1.038 101 V CB -1.307 30.694 31.823 0.297 0.000 0.651 101 V HN 0.221 nan 8.190 nan 0.000 0.450 102 Q N -0.396 119.569 119.800 0.274 0.000 2.049 102 Q HA -0.216 4.125 4.340 0.001 0.000 0.198 102 Q C 2.370 178.415 176.000 0.075 0.000 0.971 102 Q CA 1.604 57.504 55.803 0.162 0.000 0.833 102 Q CB -0.250 28.558 28.738 0.117 0.000 0.896 102 Q HN 0.736 nan 8.270 nan 0.000 0.434 103 E N 1.310 121.531 120.200 0.036 0.000 2.070 103 E HA -0.258 4.093 4.350 0.001 0.000 0.197 103 E C 1.972 178.441 176.600 -0.220 0.000 1.004 103 E CA 1.264 57.624 56.400 -0.067 0.000 0.805 103 E CB 0.112 29.767 29.700 -0.075 0.000 0.744 103 E HN 0.242 nan 8.360 nan 0.000 0.451 104 R N 0.009 120.318 120.500 -0.319 0.000 2.090 104 R HA 0.004 4.345 4.340 0.001 0.000 0.228 104 R C 2.593 178.660 176.300 -0.389 0.000 1.110 104 R CA 1.070 56.775 56.100 -0.658 0.000 0.973 104 R CB -0.281 29.545 30.300 -0.789 0.000 0.869 104 R HN 0.317 nan 8.270 nan 0.000 0.440 105 I N 0.657 121.131 120.570 -0.160 0.000 2.315 105 I HA -0.196 3.975 4.170 0.001 0.000 0.248 105 I C 2.185 178.169 176.117 -0.222 0.000 1.117 105 I CA 1.061 62.197 61.300 -0.272 0.000 1.404 105 I CB -0.040 37.886 38.000 -0.123 0.000 1.071 105 I HN 0.144 nan 8.210 nan 0.000 0.419 106 A N 0.708 123.444 122.820 -0.141 0.000 1.873 106 A HA -0.212 4.108 4.320 0.001 0.000 0.215 106 A C 2.266 179.732 177.584 -0.196 0.000 1.186 106 A CA 1.683 53.651 52.037 -0.115 0.000 0.616 106 A CB -0.482 18.491 19.000 -0.044 0.000 0.823 106 A HN 0.396 nan 8.150 nan 0.000 0.442 107 K N 0.434 120.708 120.400 -0.210 0.000 2.365 107 K HA -0.033 4.287 4.320 0.001 0.000 0.199 107 K C 1.627 177.941 176.600 -0.475 0.000 1.045 107 K CA 1.133 57.296 56.287 -0.206 0.000 0.962 107 K CB -0.027 32.520 32.500 0.079 0.000 0.759 107 K HN 0.605 nan 8.250 nan 0.000 0.469 108 S N -0.223 115.117 115.700 -0.600 0.000 2.597 108 S HA 0.012 4.482 4.470 0.001 0.000 0.224 108 S C -0.072 174.257 174.600 -0.450 0.000 0.955 108 S CA -0.436 57.209 58.200 -0.925 0.000 0.933 108 S CB -0.288 62.160 63.200 -1.253 0.000 0.788 108 S HN 0.299 nan 8.310 nan 0.000 0.488 109 H N -0.666 118.321 119.070 -0.138 0.000 2.936 109 H HA -0.140 4.416 4.556 0.001 0.000 0.276 109 H C 0.997 176.260 175.328 -0.108 0.000 1.216 109 H CA 0.631 56.636 56.048 -0.071 0.000 1.132 109 H CB -1.880 27.871 29.762 -0.019 0.000 1.303 109 H HN 0.624 nan 8.280 nan 0.000 0.370 110 G N -0.129 108.588 108.800 -0.138 0.000 3.026 110 G HA2 0.175 4.136 3.960 0.001 0.000 0.208 110 G HA3 0.175 4.136 3.960 0.001 0.000 0.208 110 G C 0.461 175.295 174.900 -0.110 0.000 1.169 110 G CA 0.755 45.761 45.100 -0.158 0.000 0.788 110 G HN 0.341 nan 8.290 nan 0.000 0.533 111 S N -1.076 114.581 115.700 -0.073 0.000 2.561 111 S HA 0.516 4.986 4.470 0.001 0.000 0.303 111 S C 0.354 174.907 174.600 -0.079 0.000 1.110 111 S CA -0.661 57.501 58.200 -0.064 0.000 1.034 111 S CB 1.846 65.006 63.200 -0.066 0.000 1.010 111 S HN 0.334 nan 8.310 nan 0.000 0.482 112 Q N 1.529 121.290 119.800 -0.065 0.000 2.505 112 Q HA 0.091 4.431 4.340 0.001 0.000 0.184 112 Q C 2.260 178.188 176.000 -0.120 0.000 0.878 112 Q CA 0.800 56.565 55.803 -0.063 0.000 0.811 112 Q CB -0.570 28.187 28.738 0.032 0.000 1.118 112 Q HN 0.965 nan 8.270 nan 0.000 0.605 113 C N -0.283 119.026 119.300 0.015 0.000 2.435 113 C HA 0.290 4.751 4.460 0.001 0.000 0.279 113 C C 1.736 176.838 174.990 0.186 0.000 1.321 113 C CA 0.476 59.545 59.018 0.085 0.000 1.752 113 C CB -1.133 26.669 27.740 0.103 0.000 1.959 113 C HN 0.892 nan 8.230 nan 0.000 0.500 114 G N -0.794 108.088 108.800 0.137 0.000 2.176 114 G HA2 -0.328 3.632 3.960 0.001 0.000 0.253 114 G HA3 -0.328 3.632 3.960 0.001 0.000 0.253 114 G C 0.339 175.357 174.900 0.196 0.000 0.979 114 G CA 0.444 45.642 45.100 0.163 0.000 0.641 114 G HN 0.562 nan 8.290 nan 0.000 0.530 115 F N 1.281 121.206 119.950 -0.041 0.000 2.259 115 F HA 0.036 4.563 4.527 0.001 0.000 0.298 115 F C 2.813 178.564 175.800 -0.082 0.000 1.088 115 F CA 2.117 59.955 58.000 -0.270 0.000 1.358 115 F CB -0.227 38.553 39.000 -0.365 0.000 1.040 115 F HN 0.574 nan 8.300 nan 0.000 0.505 116 C N -1.767 117.602 119.300 0.116 0.000 2.514 116 C HA 0.054 4.514 4.460 0.001 0.000 0.271 116 C C 2.479 177.516 174.990 0.078 0.000 1.399 116 C CA 0.702 59.784 59.018 0.105 0.000 1.765 116 C CB -1.567 26.273 27.740 0.167 0.000 1.893 116 C HN 0.377 nan 8.230 nan 0.000 0.531 117 T N 3.089 117.677 114.554 0.058 0.000 2.635 117 T HA -0.102 4.249 4.350 0.001 0.000 0.267 117 T C -0.262 174.484 174.700 0.077 0.000 1.040 117 T CA 2.622 64.767 62.100 0.074 0.000 1.156 117 T CB -1.479 67.423 68.868 0.058 0.000 0.863 117 T HN 0.435 nan 8.240 nan 0.000 0.430 118 P HA -0.054 nan 4.420 nan 0.000 0.215 118 P C 1.738 179.062 177.300 0.041 0.000 1.153 118 P CA 1.278 64.385 63.100 0.012 0.000 0.853 118 P CB -0.491 31.180 31.700 -0.050 0.000 0.788 119 G N -0.689 108.138 108.800 0.046 0.000 2.408 119 G HA2 -0.204 3.756 3.960 0.001 0.000 0.217 119 G HA3 -0.204 3.756 3.960 0.001 0.000 0.217 119 G C 1.507 176.520 174.900 0.188 0.000 1.150 119 G CA 0.443 45.601 45.100 0.098 0.000 0.776 119 G HN 0.237 nan 8.290 nan 0.000 0.542 120 I N 0.188 120.899 120.570 0.234 0.000 2.286 120 I HA -0.108 4.063 4.170 0.001 0.000 0.245 120 I C 2.744 179.103 176.117 0.403 0.000 1.104 120 I CA 0.191 61.706 61.300 0.359 0.000 1.397 120 I CB -0.156 38.026 38.000 0.304 0.000 1.072 120 I HN 0.002 nan 8.210 nan 0.000 0.417 121 V N 0.708 120.799 119.914 0.294 0.000 2.250 121 V HA -0.351 3.769 4.120 0.001 0.000 0.250 121 V C 2.554 178.724 176.094 0.127 0.000 1.060 121 V CA 1.828 64.262 62.300 0.223 0.000 1.030 121 V CB -0.478 31.431 31.823 0.142 0.000 0.643 121 V HN 0.386 nan 8.190 nan 0.000 0.445 122 M N -0.736 118.922 119.600 0.097 0.000 2.229 122 M HA -0.089 4.391 4.480 0.001 0.000 0.264 122 M C 2.359 178.708 176.300 0.083 0.000 1.063 122 M CA 1.500 56.839 55.300 0.065 0.000 1.114 122 M CB -1.456 31.161 32.600 0.029 0.000 1.387 122 M HN 0.344 nan 8.290 nan 0.000 0.420 123 S N 0.341 116.113 115.700 0.120 0.000 2.387 123 S HA -0.092 4.379 4.470 0.001 0.000 0.226 123 S C 1.819 176.347 174.600 -0.120 0.000 1.026 123 S CA 1.099 59.316 58.200 0.029 0.000 0.972 123 S CB -0.178 63.094 63.200 0.121 0.000 0.814 123 S HN 0.389 nan 8.310 nan 0.000 0.477 124 M N 0.497 120.092 119.600 -0.008 0.000 2.200 124 M HA 0.004 4.484 4.480 0.001 0.000 0.265 124 M C 1.703 177.810 176.300 -0.322 0.000 1.066 124 M CA 1.357 56.472 55.300 -0.308 0.000 1.127 124 M CB -0.762 31.448 32.600 -0.649 0.000 1.379 124 M HN 0.375 nan 8.290 nan 0.000 0.420 125 Y N 0.252 120.372 120.300 -0.299 0.000 2.181 125 Y HA -0.215 4.336 4.550 0.001 0.000 0.288 125 Y C 1.988 177.725 175.900 -0.272 0.000 1.146 125 Y CA 2.413 60.325 58.100 -0.314 0.000 1.164 125 Y CB -0.734 37.540 38.460 -0.311 0.000 0.982 125 Y HN 0.281 nan 8.280 nan 0.000 0.515 126 T N 1.120 115.578 114.554 -0.160 0.000 2.708 126 T HA -0.202 4.149 4.350 0.001 0.000 0.266 126 T C 1.802 176.349 174.700 -0.255 0.000 1.037 126 T CA 1.433 63.423 62.100 -0.184 0.000 1.146 126 T CB -0.730 68.102 68.868 -0.059 0.000 0.865 126 T HN 0.325 nan 8.240 nan 0.000 0.435 127 L N 1.255 122.313 121.223 -0.276 0.000 1.990 127 L HA -0.081 4.259 4.340 0.001 0.000 0.213 127 L C 2.172 178.857 176.870 -0.308 0.000 1.072 127 L CA 1.728 56.398 54.840 -0.284 0.000 0.755 127 L CB -0.819 41.035 42.059 -0.342 0.000 0.889 127 L HN 0.267 nan 8.230 nan 0.000 0.432 128 L N -0.894 120.081 121.223 -0.413 0.000 2.131 128 L HA -0.179 4.162 4.340 0.001 0.000 0.210 128 L C 2.630 179.270 176.870 -0.383 0.000 1.092 128 L CA 0.800 55.388 54.840 -0.420 0.000 0.759 128 L CB -0.639 41.104 42.059 -0.526 0.000 0.903 128 L HN 0.260 nan 8.230 nan 0.000 0.435 129 R N -0.156 120.049 120.500 -0.492 0.000 2.189 129 R HA -0.022 4.318 4.340 0.001 0.000 0.218 129 R C 1.659 177.835 176.300 -0.208 0.000 1.074 129 R CA 0.673 56.511 56.100 -0.438 0.000 0.991 129 R CB -0.652 29.250 30.300 -0.663 0.000 0.883 129 R HN 0.518 nan 8.270 nan 0.000 0.457 130 N N 0.361 118.963 118.700 -0.163 0.000 2.402 130 N HA -0.075 4.665 4.740 0.001 0.000 0.174 130 N C 0.037 175.494 175.510 -0.089 0.000 1.027 130 N CA 0.511 53.514 53.050 -0.079 0.000 0.891 130 N CB 0.371 38.817 38.487 -0.068 0.000 1.016 130 N HN 0.037 nan 8.380 nan 0.000 0.439 131 Q N 0.498 120.224 119.800 -0.124 0.000 2.878 131 Q HA 0.257 4.598 4.340 0.001 0.000 0.232 131 Q C -2.412 173.521 176.000 -0.112 0.000 0.893 131 Q CA -1.559 54.186 55.803 -0.097 0.000 0.742 131 Q CB 1.708 30.394 28.738 -0.086 0.000 1.354 131 Q HN -0.057 nan 8.270 nan 0.000 0.466 132 P HA -0.096 nan 4.420 nan 0.000 0.228 132 P C -0.546 176.741 177.300 -0.022 0.000 1.151 132 P CA 0.845 63.897 63.100 -0.080 0.000 0.770 132 P CB 0.513 32.184 31.700 -0.048 0.000 0.786 133 E N 0.495 120.689 120.200 -0.010 0.000 2.914 133 E HA 0.245 4.596 4.350 0.001 0.000 0.246 133 E C -2.508 174.106 176.600 0.022 0.000 1.146 133 E CA -2.012 54.409 56.400 0.035 0.000 0.803 133 E CB 1.698 31.424 29.700 0.043 0.000 1.409 133 E HN 0.217 nan 8.360 nan 0.000 0.392 134 P HA 0.074 nan 4.420 nan 0.000 0.276 134 P C 0.034 177.360 177.300 0.043 0.000 1.261 134 P CA -0.301 62.799 63.100 0.001 0.000 0.800 134 P CB 0.854 32.531 31.700 -0.038 0.000 1.066 135 T N -2.905 111.668 114.554 0.031 0.000 2.874 135 T HA 0.187 4.538 4.350 0.001 0.000 0.281 135 T C 1.454 176.199 174.700 0.074 0.000 0.994 135 T CA -0.655 61.476 62.100 0.052 0.000 1.015 135 T CB 0.075 68.964 68.868 0.034 0.000 1.028 135 T HN 0.067 nan 8.240 nan 0.000 0.523 136 V N 1.158 121.131 119.914 0.098 0.000 2.380 136 V HA -0.136 3.984 4.120 0.001 0.000 0.251 136 V C 2.895 179.060 176.094 0.119 0.000 1.063 136 V CA 1.927 64.306 62.300 0.131 0.000 1.055 136 V CB -0.887 31.017 31.823 0.135 0.000 0.657 136 V HN 0.854 nan 8.190 nan 0.000 0.455 137 E N -0.079 120.172 120.200 0.085 0.000 2.107 137 E HA -0.158 4.192 4.350 0.001 0.000 0.191 137 E C 2.281 178.897 176.600 0.028 0.000 0.982 137 E CA 0.947 57.389 56.400 0.071 0.000 0.809 137 E CB -0.173 29.563 29.700 0.060 0.000 0.756 137 E HN 0.692 nan 8.360 nan 0.000 0.459 138 E N 0.239 120.439 120.200 0.001 0.000 2.110 138 E HA -0.153 4.197 4.350 0.001 0.000 0.193 138 E C 2.223 178.767 176.600 -0.094 0.000 0.988 138 E CA 0.758 57.124 56.400 -0.055 0.000 0.804 138 E CB -0.127 29.538 29.700 -0.059 0.000 0.745 138 E HN 0.259 nan 8.360 nan 0.000 0.458 139 I N 1.123 121.679 120.570 -0.023 0.000 2.127 139 I HA -0.308 3.862 4.170 0.001 0.000 0.241 139 I C 2.734 178.870 176.117 0.032 0.000 1.075 139 I CA 1.508 62.812 61.300 0.007 0.000 1.334 139 I CB -0.319 37.801 38.000 0.200 0.000 1.040 139 I HN 0.134 nan 8.210 nan 0.000 0.405 140 E N 1.155 121.437 120.200 0.138 0.000 2.085 140 E HA -0.282 4.069 4.350 0.001 0.000 0.194 140 E C 1.567 178.190 176.600 0.038 0.000 0.994 140 E CA 1.768 58.285 56.400 0.194 0.000 0.801 140 E CB -0.023 29.808 29.700 0.217 0.000 0.743 140 E HN 0.396 nan 8.360 nan 0.000 0.453 141 D N 0.257 120.628 120.400 -0.047 0.000 2.264 141 D HA -0.084 4.557 4.640 0.001 0.000 0.208 141 D C 1.683 177.835 176.300 -0.245 0.000 0.966 141 D CA 1.044 54.978 54.000 -0.109 0.000 0.864 141 D CB -0.223 40.513 40.800 -0.106 0.000 0.933 141 D HN 0.352 nan 8.370 nan 0.000 0.499 142 A N -0.371 122.162 122.820 -0.479 0.000 2.125 142 A HA -0.114 4.207 4.320 0.001 0.000 0.219 142 A C 1.170 178.277 177.584 -0.794 0.000 1.156 142 A CA 0.762 52.335 52.037 -0.773 0.000 0.671 142 A CB -0.586 17.688 19.000 -1.209 0.000 0.794 142 A HN 0.252 nan 8.150 nan 0.000 0.459 143 F N -1.311 118.489 119.950 -0.249 0.000 2.764 143 F HA 0.171 4.699 4.527 0.001 0.000 0.310 143 F C 1.708 177.423 175.800 -0.142 0.000 1.124 143 F CA -0.457 57.333 58.000 -0.349 0.000 1.252 143 F CB 0.278 38.586 39.000 -1.153 0.000 1.010 143 F HN 0.106 nan 8.300 nan 0.000 0.518 144 Q N 0.650 120.485 119.800 0.058 0.000 2.297 144 Q HA -0.105 4.236 4.340 0.001 0.000 0.208 144 Q C 1.863 177.952 176.000 0.147 0.000 0.981 144 Q CA 1.451 57.319 55.803 0.109 0.000 0.876 144 Q CB -0.151 28.629 28.738 0.071 0.000 0.921 144 Q HN 0.563 nan 8.270 nan 0.000 0.446 145 G N 0.102 108.994 108.800 0.153 0.000 3.774 145 G HA2 0.158 4.119 3.960 0.001 0.000 0.287 145 G HA3 0.158 4.119 3.960 0.001 0.000 0.287 145 G C -0.415 174.625 174.900 0.234 0.000 1.030 145 G CA -0.370 44.834 45.100 0.172 0.000 0.824 145 G HN 0.121 nan 8.290 nan 0.000 0.518 146 N N 0.005 118.899 118.700 0.324 0.000 2.321 146 N HA 0.688 5.429 4.740 0.001 0.000 0.299 146 N C -0.966 174.851 175.510 0.512 0.000 1.048 146 N CA -0.444 52.855 53.050 0.415 0.000 0.836 146 N CB 2.543 41.330 38.487 0.500 0.000 1.269 146 N HN -0.056 nan 8.380 nan 0.000 0.486 147 L N 0.819 122.294 121.223 0.420 0.000 2.362 147 L HA 0.688 5.029 4.340 0.001 0.000 0.271 147 L C -0.889 176.176 176.870 0.324 0.000 1.002 147 L CA -0.961 54.116 54.840 0.395 0.000 0.818 147 L CB 1.830 44.056 42.059 0.278 0.000 1.298 147 L HN 0.552 nan 8.230 nan 0.000 0.420 148 C N 2.376 121.790 119.300 0.190 0.000 2.535 148 C HA 0.521 4.981 4.460 0.001 0.000 0.319 148 C C 0.852 175.721 174.990 -0.201 0.000 1.171 148 C CA -0.547 58.415 59.018 -0.093 0.000 1.394 148 C CB 1.744 29.265 27.740 -0.365 0.000 1.990 148 C HN 0.984 nan 8.230 nan 0.000 0.466 149 R N 2.564 123.051 120.500 -0.022 0.000 2.290 149 R HA 0.296 4.637 4.340 0.001 0.000 0.197 149 R C 1.249 177.506 176.300 -0.072 0.000 0.913 149 R CA 1.410 57.482 56.100 -0.047 0.000 1.040 149 R CB -0.658 29.695 30.300 0.088 0.000 0.992 149 R HN 0.862 nan 8.270 nan 0.000 0.500 150 C N -1.648 117.660 119.300 0.014 0.000 2.469 150 C HA 0.177 4.638 4.460 0.001 0.000 0.309 150 C C 2.220 177.212 174.990 0.004 0.000 1.385 150 C CA 0.867 59.976 59.018 0.152 0.000 1.890 150 C CB 0.156 28.006 27.740 0.184 0.000 2.245 150 C HN 0.654 nan 8.230 nan 0.000 0.530 151 T N -2.398 112.070 114.554 -0.143 0.000 3.057 151 T HA 0.297 4.648 4.350 0.001 0.000 0.254 151 T C 1.586 176.206 174.700 -0.132 0.000 1.094 151 T CA 1.311 63.331 62.100 -0.133 0.000 1.088 151 T CB -0.144 68.613 68.868 -0.185 0.000 0.934 151 T HN 0.913 nan 8.240 nan 0.000 0.497 152 G N 0.726 109.382 108.800 -0.240 0.000 2.153 152 G HA2 -0.362 3.599 3.960 0.001 0.000 0.252 152 G HA3 -0.362 3.599 3.960 0.001 0.000 0.252 152 G C 0.568 175.496 174.900 0.047 0.000 0.994 152 G CA 0.593 45.664 45.100 -0.048 0.000 0.698 152 G HN 0.666 nan 8.290 nan 0.000 0.521 153 Y N -2.739 117.480 120.300 -0.136 0.000 2.865 153 Y HA -0.398 4.153 4.550 0.001 0.000 0.480 153 Y C 2.334 178.192 175.900 -0.070 0.000 1.252 153 Y CA 2.528 60.448 58.100 -0.300 0.000 2.596 153 Y CB -1.523 36.687 38.460 -0.416 0.000 0.917 153 Y HN 0.450 nan 8.280 nan 0.000 0.522 154 R N 1.426 122.051 120.500 0.209 0.000 2.133 154 R HA -0.204 4.137 4.340 0.001 0.000 0.245 154 R C -1.028 175.331 176.300 0.098 0.000 1.137 154 R CA 2.748 58.949 56.100 0.169 0.000 0.947 154 R CB -1.330 28.988 30.300 0.030 0.000 0.865 154 R HN 0.413 nan 8.270 nan 0.000 0.437 155 P HA -0.101 nan 4.420 nan 0.000 0.221 155 P C 1.624 178.878 177.300 -0.076 0.000 1.150 155 P CA 1.228 64.340 63.100 0.020 0.000 0.800 155 P CB -0.149 31.554 31.700 0.005 0.000 0.787 156 I N -0.447 120.062 120.570 -0.102 0.000 2.179 156 I HA -0.216 3.955 4.170 0.001 0.000 0.242 156 I C 2.700 178.709 176.117 -0.181 0.000 1.088 156 I CA 1.233 62.370 61.300 -0.271 0.000 1.357 156 I CB -0.707 37.218 38.000 -0.124 0.000 1.051 156 I HN -0.175 nan 8.210 nan 0.000 0.409 157 L N 0.023 121.338 121.223 0.153 0.000 2.046 157 L HA -0.267 4.074 4.340 0.001 0.000 0.208 157 L C 2.678 179.706 176.870 0.264 0.000 1.077 157 L CA 1.565 56.587 54.840 0.304 0.000 0.747 157 L CB -0.579 41.710 42.059 0.384 0.000 0.896 157 L HN 0.373 nan 8.230 nan 0.000 0.432 158 Q N -0.039 119.887 119.800 0.211 0.000 2.079 158 Q HA -0.136 4.205 4.340 0.001 0.000 0.200 158 Q C 2.180 178.367 176.000 0.311 0.000 0.974 158 Q CA 1.626 57.599 55.803 0.284 0.000 0.840 158 Q CB -0.222 28.706 28.738 0.317 0.000 0.898 158 Q HN 0.453 nan 8.270 nan 0.000 0.430 159 G N 0.003 108.845 108.800 0.070 0.000 2.440 159 G HA2 -0.245 3.716 3.960 0.001 0.000 0.218 159 G HA3 -0.245 3.716 3.960 0.001 0.000 0.218 159 G C 0.961 175.968 174.900 0.179 0.000 1.154 159 G CA 0.722 45.764 45.100 -0.098 0.000 0.767 159 G HN 0.355 nan 8.290 nan 0.000 0.552 160 F N 0.558 120.633 119.950 0.209 0.000 2.367 160 F HA 0.208 4.735 4.527 0.001 0.000 0.298 160 F C 2.520 178.557 175.800 0.394 0.000 1.094 160 F CA 0.170 58.398 58.000 0.381 0.000 1.409 160 F CB -0.521 38.743 39.000 0.440 0.000 1.064 160 F HN 0.095 nan 8.300 nan 0.000 0.528 161 R N 0.551 121.335 120.500 0.473 0.000 2.159 161 R HA -0.165 4.175 4.340 0.001 0.000 0.237 161 R C 2.033 178.508 176.300 0.293 0.000 1.131 161 R CA 1.826 58.140 56.100 0.356 0.000 0.982 161 R CB -0.387 30.092 30.300 0.298 0.000 0.868 161 R HN 0.367 nan 8.270 nan 0.000 0.453 162 T N -2.412 112.301 114.554 0.265 0.000 3.051 162 T HA -0.094 4.257 4.350 0.001 0.000 0.269 162 T C 1.453 176.187 174.700 0.057 0.000 1.127 162 T CA 0.822 63.023 62.100 0.169 0.000 1.107 162 T CB -0.365 68.644 68.868 0.235 0.000 0.898 162 T HN 0.224 nan 8.240 nan 0.000 0.517 163 F N 2.135 122.214 119.950 0.215 0.000 2.407 163 F HA 0.394 4.922 4.527 0.001 0.000 0.299 163 F C 1.996 177.858 175.800 0.103 0.000 1.097 163 F CA -0.034 58.048 58.000 0.137 0.000 1.422 163 F CB -0.381 38.676 39.000 0.095 0.000 1.067 163 F HN 0.270 nan 8.300 nan 0.000 0.539 164 A N 1.217 124.207 122.820 0.284 0.000 2.346 164 A HA 0.426 4.747 4.320 0.001 0.000 0.252 164 A C 0.484 178.151 177.584 0.139 0.000 1.089 164 A CA -0.053 52.096 52.037 0.186 0.000 0.797 164 A CB 0.180 19.279 19.000 0.164 0.000 1.047 164 A HN 0.415 nan 8.150 nan 0.000 0.494 193 P HA 0.388 nan 4.420 nan 0.000 0.274 193 P C -0.681 176.453 177.300 -0.277 0.000 1.264 193 P CA -0.360 62.526 63.100 -0.356 0.000 0.795 193 P CB 0.193 31.695 31.700 -0.330 0.000 1.064 194 S N -1.320 114.397 115.700 0.028 0.000 2.566 194 S HA 0.377 4.847 4.470 0.001 0.000 0.298 194 S C 1.082 175.875 174.600 0.322 0.000 1.083 194 S CA -0.944 57.336 58.200 0.134 0.000 0.978 194 S CB 1.237 64.385 63.200 -0.086 0.000 1.073 194 S HN 0.332 nan 8.310 nan 0.000 0.491 195 L N 0.210 121.586 121.223 0.255 0.000 2.217 195 L HA 0.195 4.535 4.340 0.001 0.000 0.211 195 L C 0.247 177.377 176.870 0.433 0.000 1.107 195 L CA 0.943 55.921 54.840 0.231 0.000 0.783 195 L CB -0.409 41.761 42.059 0.186 0.000 0.919 195 L HN 0.786 nan 8.230 nan 0.000 0.442 196 F N -3.398 116.653 119.950 0.168 0.000 2.685 196 F HA 0.525 5.053 4.527 0.001 0.000 0.315 196 F C -0.733 175.039 175.800 -0.047 0.000 1.126 196 F CA -1.501 56.544 58.000 0.075 0.000 0.950 196 F CB 1.011 40.051 39.000 0.066 0.000 1.360 196 F HN -0.364 nan 8.300 nan 0.000 0.469 197 N N 1.730 120.456 118.700 0.043 0.000 2.564 197 N HA 0.485 5.226 4.740 0.001 0.000 0.248 197 N C -2.373 172.844 175.510 -0.489 0.000 0.986 197 N CA -2.736 50.204 53.050 -0.183 0.000 0.921 197 N CB 1.594 40.020 38.487 -0.103 0.000 1.136 197 N HN 0.270 nan 8.380 nan 0.000 0.509 198 P HA -0.025 nan 4.420 nan 0.000 0.226 198 P C 0.372 177.301 177.300 -0.617 0.000 1.153 198 P CA 0.996 63.493 63.100 -1.005 0.000 0.777 198 P CB 0.434 31.943 31.700 -0.318 0.000 0.794 199 E N 0.150 120.153 120.200 -0.327 0.000 2.347 199 E HA -0.150 4.200 4.350 0.001 0.000 0.196 199 E C 1.547 178.089 176.600 -0.095 0.000 1.008 199 E CA 0.584 56.894 56.400 -0.150 0.000 0.852 199 E CB -0.217 29.425 29.700 -0.096 0.000 0.783 199 E HN 0.584 nan 8.360 nan 0.000 0.505 200 E N 0.579 120.698 120.200 -0.135 0.000 2.489 200 E HA -0.017 4.334 4.350 0.001 0.000 0.193 200 E C -0.078 176.627 176.600 0.176 0.000 1.057 200 E CA -0.161 56.244 56.400 0.007 0.000 0.866 200 E CB -0.103 29.613 29.700 0.026 0.000 0.916 200 E HN 0.155 nan 8.360 nan 0.000 0.500 201 F N 2.122 122.080 119.950 0.014 0.000 2.438 201 F HA 0.189 4.717 4.527 0.001 0.000 0.356 201 F C 0.815 176.606 175.800 -0.015 0.000 1.099 201 F CA -1.317 56.677 58.000 -0.011 0.000 1.185 201 F CB 0.922 39.893 39.000 -0.049 0.000 1.115 201 F HN 0.031 nan 8.300 nan 0.000 0.526 202 M N 6.948 126.653 119.600 0.175 0.000 2.269 202 M HA 0.198 4.679 4.480 0.001 0.000 0.350 202 M C -2.399 173.942 176.300 0.069 0.000 1.429 202 M CA -1.170 54.183 55.300 0.089 0.000 1.063 202 M CB 0.471 33.099 32.600 0.046 0.000 1.841 202 M HN 0.180 nan 8.290 nan 0.000 0.455 203 P HA 0.095 nan 4.420 nan 0.000 0.272 203 P C -1.157 176.184 177.300 0.068 0.000 1.230 203 P CA -0.517 62.626 63.100 0.072 0.000 0.788 203 P CB 0.470 32.208 31.700 0.063 0.000 0.949 204 L N 2.594 123.890 121.223 0.121 0.000 2.416 204 L HA 0.278 4.619 4.340 0.001 0.000 0.272 204 L C -0.116 176.786 176.870 0.053 0.000 1.161 204 L CA 0.615 55.512 54.840 0.095 0.000 0.845 204 L CB -0.113 42.051 42.059 0.174 0.000 1.119 204 L HN 0.232 nan 8.230 nan 0.000 0.464 205 D N 5.747 126.162 120.400 0.025 0.000 2.421 205 D HA 0.402 5.043 4.640 0.001 0.000 0.254 205 D C -2.132 174.188 176.300 0.034 0.000 1.238 205 D CA -1.762 52.255 54.000 0.029 0.000 0.919 205 D CB 1.863 42.679 40.800 0.026 0.000 1.152 205 D HN 0.266 nan 8.370 nan 0.000 0.552 206 P HA -0.078 nan 4.420 nan 0.000 0.222 206 P C 1.349 178.666 177.300 0.029 0.000 1.147 206 P CA 1.065 64.177 63.100 0.020 0.000 0.790 206 P CB 0.138 31.837 31.700 -0.001 0.000 0.780 207 T N -3.278 111.293 114.554 0.028 0.000 2.962 207 T HA -0.153 4.197 4.350 0.001 0.000 0.270 207 T C 1.634 176.357 174.700 0.039 0.000 1.088 207 T CA 1.054 63.172 62.100 0.031 0.000 1.127 207 T CB -0.792 68.091 68.868 0.025 0.000 0.883 207 T HN 0.210 nan 8.240 nan 0.000 0.493 208 Q N 0.337 120.164 119.800 0.046 0.000 2.360 208 Q HA 0.162 4.502 4.340 0.001 0.000 0.202 208 Q C 0.167 176.216 176.000 0.081 0.000 0.915 208 Q CA -0.047 55.789 55.803 0.055 0.000 0.943 208 Q CB 0.305 29.072 28.738 0.048 0.000 1.064 208 Q HN 0.547 nan 8.270 nan 0.000 0.511 209 E N 1.972 122.228 120.200 0.092 0.000 2.398 209 E HA 0.087 4.438 4.350 0.001 0.000 0.263 209 E C -2.182 174.476 176.600 0.096 0.000 1.046 209 E CA -1.729 54.745 56.400 0.124 0.000 0.908 209 E CB -0.079 29.681 29.700 0.100 0.000 0.963 209 E HN 0.038 nan 8.360 nan 0.000 0.431 210 P HA 0.037 nan 4.420 nan 0.000 0.264 210 P C 0.138 177.487 177.300 0.081 0.000 1.193 210 P CA 0.135 63.277 63.100 0.070 0.000 0.763 210 P CB 0.282 32.016 31.700 0.056 0.000 0.810 211 I N 3.845 124.454 120.570 0.065 0.000 2.648 211 I HA 0.108 4.279 4.170 0.001 0.000 0.284 211 I C 0.150 176.330 176.117 0.105 0.000 1.153 211 I CA -0.619 60.732 61.300 0.085 0.000 1.426 211 I CB 0.133 38.162 38.000 0.049 0.000 1.381 211 I HN 0.141 nan 8.210 nan 0.000 0.571 212 F N 9.686 129.645 119.950 0.014 0.000 2.623 212 F HA 0.146 4.673 4.527 0.001 0.000 0.386 212 F C -1.867 173.862 175.800 -0.117 0.000 1.068 212 F CA -1.284 56.705 58.000 -0.018 0.000 1.265 212 F CB -0.198 38.805 39.000 0.005 0.000 1.026 212 F HN 0.392 nan 8.300 nan 0.000 0.568 213 P HA -0.020 nan 4.420 nan 0.000 0.256 213 P C -2.148 174.787 177.300 -0.608 0.000 1.173 213 P CA -0.548 62.078 63.100 -0.789 0.000 0.768 213 P CB 0.366 31.216 31.700 -1.416 0.000 0.758 214 P HA -0.169 nan 4.420 nan 0.000 0.215 214 P C 1.436 178.615 177.300 -0.203 0.000 1.157 214 P CA 1.105 64.103 63.100 -0.169 0.000 0.863 214 P CB 0.016 31.659 31.700 -0.095 0.000 0.787 215 E N -0.124 119.945 120.200 -0.219 0.000 2.136 215 E HA -0.226 4.125 4.350 0.001 0.000 0.202 215 E C 1.928 178.372 176.600 -0.259 0.000 1.019 215 E CA 1.155 57.456 56.400 -0.166 0.000 0.819 215 E CB -0.700 29.008 29.700 0.013 0.000 0.739 215 E HN 0.119 nan 8.360 nan 0.000 0.458 216 L N 0.083 120.996 121.223 -0.517 0.000 2.141 216 L HA -0.161 4.179 4.340 0.001 0.000 0.209 216 L C 2.447 179.202 176.870 -0.192 0.000 1.094 216 L CA 0.424 54.992 54.840 -0.454 0.000 0.763 216 L CB -0.122 41.491 42.059 -0.744 0.000 0.908 216 L HN 0.302 nan 8.230 nan 0.000 0.437 217 L N -0.433 120.726 121.223 -0.106 0.000 2.217 217 L HA -0.110 4.231 4.340 0.001 0.000 0.211 217 L C 2.587 179.363 176.870 -0.157 0.000 1.107 217 L CA 1.392 56.196 54.840 -0.061 0.000 0.783 217 L CB -0.382 41.692 42.059 0.025 0.000 0.919 217 L HN 0.078 nan 8.230 nan 0.000 0.442 218 R N -1.087 119.332 120.500 -0.135 0.000 2.115 218 R HA -0.060 4.281 4.340 0.001 0.000 0.230 218 R C 2.052 178.284 176.300 -0.113 0.000 1.111 218 R CA 1.159 57.192 56.100 -0.111 0.000 0.976 218 R CB -0.336 29.916 30.300 -0.080 0.000 0.870 218 R HN 0.345 nan 8.270 nan 0.000 0.445 219 L N 1.387 122.523 121.223 -0.144 0.000 2.313 219 L HA -0.087 4.253 4.340 0.001 0.000 0.214 219 L C 2.354 179.166 176.870 -0.096 0.000 1.119 219 L CA 0.887 55.646 54.840 -0.135 0.000 0.809 219 L CB -0.274 41.583 42.059 -0.336 0.000 0.933 219 L HN 0.196 nan 8.230 nan 0.000 0.449 220 K N -0.643 119.666 120.400 -0.152 0.000 2.280 220 K HA -0.167 4.154 4.320 0.001 0.000 0.202 220 K C 0.954 177.482 176.600 -0.120 0.000 1.047 220 K CA 1.376 57.568 56.287 -0.158 0.000 0.942 220 K CB -0.117 32.096 32.500 -0.478 0.000 0.739 220 K HN 0.210 nan 8.250 nan 0.000 0.457 221 D N 1.671 122.002 120.400 -0.114 0.000 2.091 221 D HA -0.047 4.593 4.640 0.001 0.000 0.199 221 D C 0.486 176.770 176.300 -0.027 0.000 0.980 221 D CA 0.670 54.626 54.000 -0.073 0.000 0.831 221 D CB -0.228 40.529 40.800 -0.072 0.000 0.987 221 D HN 0.007 nan 8.370 nan 0.000 0.460 222 V N 3.639 123.549 119.914 -0.006 0.000 2.539 222 V HA -0.009 4.112 4.120 0.001 0.000 0.300 222 V C -1.994 174.115 176.094 0.024 0.000 1.019 222 V CA -0.824 61.490 62.300 0.023 0.000 1.160 222 V CB -0.344 31.514 31.823 0.058 0.000 0.901 222 V HN 0.029 nan 8.190 nan 0.000 0.481 223 P HA 0.203 nan 4.420 nan 0.000 0.264 223 P C -2.321 174.993 177.300 0.023 0.000 1.193 223 P CA -0.693 62.418 63.100 0.018 0.000 0.763 223 P CB -0.151 31.563 31.700 0.025 0.000 0.810 224 P HA 0.281 nan 4.420 nan 0.000 0.272 224 P C -0.862 176.498 177.300 0.100 0.000 1.240 224 P CA -0.300 62.789 63.100 -0.019 0.000 0.791 224 P CB 0.538 32.110 31.700 -0.214 0.000 0.978 225 K N -1.013 119.495 120.400 0.181 0.000 2.532 225 K HA 0.397 4.718 4.320 0.001 0.000 0.265 225 K C -0.762 175.963 176.600 0.209 0.000 0.948 225 K CA -1.133 55.253 56.287 0.165 0.000 0.842 225 K CB 1.076 33.631 32.500 0.092 0.000 1.392 225 K HN 0.314 nan 8.250 nan 0.000 0.436 226 Q N 1.741 121.607 119.800 0.111 0.000 2.304 226 Q HA 0.084 4.425 4.340 0.001 0.000 0.301 226 Q C -0.992 174.971 176.000 -0.061 0.000 1.063 226 Q CA 0.245 56.062 55.803 0.023 0.000 0.947 226 Q CB 0.401 29.133 28.738 -0.010 0.000 1.201 226 Q HN 0.576 nan 8.270 nan 0.000 0.389 227 L N 3.518 124.629 121.223 -0.188 0.000 2.323 227 L HA 0.672 5.013 4.340 0.001 0.000 0.265 227 L C -0.444 176.123 176.870 -0.505 0.000 1.012 227 L CA -1.007 53.598 54.840 -0.393 0.000 0.820 227 L CB 2.216 43.933 42.059 -0.569 0.000 1.334 227 L HN 0.658 nan 8.230 nan 0.000 0.427 228 R N 1.177 121.289 120.500 -0.648 0.000 2.538 228 R HA 0.611 4.952 4.340 0.001 0.000 0.292 228 R C -1.938 173.983 176.300 -0.631 0.000 1.008 228 R CA -0.372 55.452 56.100 -0.460 0.000 0.896 228 R CB 1.373 31.549 30.300 -0.205 0.000 1.187 228 R HN 0.385 nan 8.270 nan 0.000 0.440 229 F N 1.651 121.640 119.950 0.065 0.000 2.522 229 F HA 0.458 4.986 4.527 0.001 0.000 0.324 229 F C -0.053 175.777 175.800 0.050 0.000 1.077 229 F CA -0.874 57.135 58.000 0.016 0.000 0.944 229 F CB 2.339 41.285 39.000 -0.090 0.000 1.175 229 F HN 0.341 nan 8.300 nan 0.000 0.468 230 E N 0.755 121.082 120.200 0.212 0.000 2.218 230 E HA 0.541 4.892 4.350 0.001 0.000 0.263 230 E C -0.177 176.492 176.600 0.115 0.000 0.879 230 E CA -0.549 55.932 56.400 0.135 0.000 0.762 230 E CB 2.138 31.891 29.700 0.089 0.000 1.166 230 E HN 0.810 nan 8.360 nan 0.000 0.415 231 G N 1.243 110.106 108.800 0.105 0.000 2.971 231 G HA2 0.075 4.035 3.960 0.001 0.000 0.235 231 G HA3 0.075 4.035 3.960 0.001 0.000 0.235 231 G C 0.512 175.456 174.900 0.074 0.000 1.351 231 G CA -0.355 44.793 45.100 0.079 0.000 1.039 231 G HN 0.575 nan 8.290 nan 0.000 0.563 232 E N -0.729 119.515 120.200 0.072 0.000 2.118 232 E HA -0.111 4.239 4.350 0.001 0.000 0.195 232 E C 2.021 178.663 176.600 0.069 0.000 0.992 232 E CA 1.109 57.556 56.400 0.078 0.000 0.804 232 E CB 0.059 29.821 29.700 0.104 0.000 0.741 232 E HN 0.415 nan 8.360 nan 0.000 0.458 233 R N -1.390 119.152 120.500 0.069 0.000 2.568 233 R HA 0.233 4.573 4.340 0.001 0.000 0.254 233 R C -0.599 175.742 176.300 0.069 0.000 0.925 233 R CA -0.070 56.066 56.100 0.061 0.000 1.025 233 R CB 1.967 32.299 30.300 0.053 0.000 1.428 233 R HN -0.108 nan 8.270 nan 0.000 0.573 234 V N 1.370 121.338 119.914 0.090 0.000 2.709 234 V HA 0.378 4.498 4.120 0.001 0.000 0.308 234 V C -0.407 175.770 176.094 0.138 0.000 1.062 234 V CA -0.656 61.717 62.300 0.120 0.000 0.901 234 V CB 2.320 34.241 31.823 0.163 0.000 1.003 234 V HN 0.032 nan 8.190 nan 0.000 0.425 235 T N 3.990 118.619 114.554 0.124 0.000 2.823 235 T HA 0.459 4.809 4.350 0.001 0.000 0.279 235 T C -1.142 173.673 174.700 0.191 0.000 0.998 235 T CA -0.318 61.858 62.100 0.126 0.000 0.994 235 T CB 1.464 70.349 68.868 0.029 0.000 0.960 235 T HN 0.698 nan 8.240 nan 0.000 0.448 236 W N 4.587 125.894 121.300 0.012 0.000 2.619 236 W HA 0.616 5.276 4.660 0.001 0.000 0.327 236 W C -2.234 174.230 176.519 -0.092 0.000 1.027 236 W CA -1.402 55.950 57.345 0.011 0.000 1.233 236 W CB 0.669 30.219 29.460 0.149 0.000 1.370 236 W HN 0.482 nan 8.180 nan 0.000 0.453 237 I N 4.752 125.237 120.570 -0.143 0.000 2.378 237 I HA 0.078 4.249 4.170 0.001 0.000 0.291 237 I C 0.112 176.082 176.117 -0.245 0.000 0.992 237 I CA -0.475 60.734 61.300 -0.153 0.000 1.154 237 I CB 1.904 39.803 38.000 -0.170 0.000 1.315 237 I HN 0.277 nan 8.210 nan 0.000 0.448 238 Q N 5.569 125.279 119.800 -0.151 0.000 2.406 238 Q HA 0.574 4.914 4.340 0.001 0.000 0.242 238 Q C -0.469 175.350 176.000 -0.302 0.000 1.036 238 Q CA -0.394 55.237 55.803 -0.286 0.000 0.904 238 Q CB 1.107 29.586 28.738 -0.431 0.000 1.244 238 Q HN 0.725 nan 8.270 nan 0.000 0.478 239 A N 2.967 125.642 122.820 -0.242 0.000 2.451 239 A HA 0.300 4.620 4.320 0.001 0.000 0.266 239 A C 0.937 178.542 177.584 0.036 0.000 1.119 239 A CA 0.276 52.253 52.037 -0.100 0.000 0.786 239 A CB 0.173 19.117 19.000 -0.093 0.000 1.061 239 A HN 0.933 nan 8.150 nan 0.000 0.503 240 S N 1.506 117.295 115.700 0.148 0.000 2.501 240 S HA 0.133 4.603 4.470 0.001 0.000 0.220 240 S C 0.774 175.488 174.600 0.190 0.000 0.997 240 S CA 0.761 59.147 58.200 0.310 0.000 0.919 240 S CB -0.385 63.005 63.200 0.317 0.000 0.778 240 S HN 1.352 nan 8.310 nan 0.000 0.523 241 T N -1.767 112.850 114.554 0.105 0.000 2.883 241 T HA 0.598 4.949 4.350 0.001 0.000 0.301 241 T C 0.410 175.134 174.700 0.040 0.000 1.158 241 T CA -0.768 61.374 62.100 0.070 0.000 1.007 241 T CB 1.315 70.214 68.868 0.051 0.000 1.186 241 T HN -0.040 nan 8.240 nan 0.000 0.499 242 L N 1.554 122.794 121.223 0.028 0.000 2.042 242 L HA 0.050 4.390 4.340 0.001 0.000 0.210 242 L C 2.556 179.426 176.870 0.001 0.000 1.076 242 L CA 2.151 56.996 54.840 0.009 0.000 0.749 242 L CB -0.831 41.230 42.059 0.003 0.000 0.893 242 L HN 0.934 nan 8.230 nan 0.000 0.432 243 K N -0.574 119.829 120.400 0.005 0.000 2.057 243 K HA -0.212 4.109 4.320 0.001 0.000 0.207 243 K C 1.920 178.520 176.600 -0.000 0.000 1.049 243 K CA 1.732 58.019 56.287 0.001 0.000 0.931 243 K CB -0.155 32.347 32.500 0.004 0.000 0.714 243 K HN 0.493 nan 8.250 nan 0.000 0.440 244 E N 0.657 120.861 120.200 0.006 0.000 2.058 244 E HA -0.219 4.131 4.350 0.001 0.000 0.194 244 E C 2.018 178.612 176.600 -0.011 0.000 0.997 244 E CA 1.259 57.660 56.400 0.001 0.000 0.801 244 E CB -0.163 29.542 29.700 0.009 0.000 0.746 244 E HN 0.193 nan 8.360 nan 0.000 0.450 245 L N 1.008 122.221 121.223 -0.017 0.000 2.013 245 L HA -0.216 4.125 4.340 0.001 0.000 0.212 245 L C 2.012 178.866 176.870 -0.027 0.000 1.073 245 L CA 1.737 56.558 54.840 -0.033 0.000 0.753 245 L CB -0.326 41.711 42.059 -0.037 0.000 0.890 245 L HN 0.143 nan 8.230 nan 0.000 0.432 246 L N -1.330 119.880 121.223 -0.020 0.000 2.179 246 L HA -0.099 4.242 4.340 0.001 0.000 0.208 246 L C 2.160 179.018 176.870 -0.019 0.000 1.096 246 L CA 0.692 55.519 54.840 -0.021 0.000 0.779 246 L CB -0.822 41.225 42.059 -0.020 0.000 0.922 246 L HN 0.231 nan 8.230 nan 0.000 0.443 247 D N 0.759 121.150 120.400 -0.015 0.000 2.104 247 D HA -0.162 4.478 4.640 0.001 0.000 0.194 247 D C 2.380 178.675 176.300 -0.009 0.000 0.994 247 D CA 1.301 55.292 54.000 -0.015 0.000 0.830 247 D CB -0.215 40.580 40.800 -0.008 0.000 0.959 247 D HN 0.215 nan 8.370 nan 0.000 0.452 248 L N 0.415 121.643 121.223 0.008 0.000 2.083 248 L HA -0.121 4.220 4.340 0.001 0.000 0.209 248 L C 2.318 179.216 176.870 0.047 0.000 1.083 248 L CA 0.933 55.806 54.840 0.054 0.000 0.752 248 L CB -0.232 41.849 42.059 0.036 0.000 0.899 248 L HN -0.091 nan 8.230 nan 0.000 0.433 249 K N 0.074 120.475 120.400 0.002 0.000 2.211 249 K HA -0.028 4.292 4.320 0.001 0.000 0.203 249 K C 2.128 178.716 176.600 -0.021 0.000 1.050 249 K CA 1.199 57.482 56.287 -0.007 0.000 0.945 249 K CB -0.160 32.325 32.500 -0.025 0.000 0.732 249 K HN 0.290 nan 8.250 nan 0.000 0.451 250 A N 1.257 124.055 122.820 -0.036 0.000 1.897 250 A HA -0.167 4.154 4.320 0.001 0.000 0.215 250 A C 2.082 179.606 177.584 -0.100 0.000 1.181 250 A CA 1.131 53.135 52.037 -0.055 0.000 0.620 250 A CB -0.322 18.648 19.000 -0.049 0.000 0.821 250 A HN 0.337 nan 8.150 nan 0.000 0.443 251 Q N -1.099 118.609 119.800 -0.153 0.000 2.172 251 Q HA -0.048 4.293 4.340 0.001 0.000 0.200 251 Q C -0.173 175.464 176.000 -0.605 0.000 0.964 251 Q CA 0.956 56.535 55.803 -0.373 0.000 0.855 251 Q CB 0.106 28.593 28.738 -0.418 0.000 0.918 251 Q HN 0.734 nan 8.270 nan 0.000 0.444 252 H N -0.825 118.230 119.070 -0.027 0.000 2.538 252 H HA 0.146 4.703 4.556 0.001 0.000 0.239 252 H C -2.017 173.293 175.328 -0.030 0.000 1.401 252 H CA -1.635 54.398 56.048 -0.025 0.000 1.499 252 H CB 1.166 30.909 29.762 -0.030 0.000 1.624 252 H HN 0.106 nan 8.280 nan 0.000 0.524 253 P HA -0.134 nan 4.420 nan 0.000 0.223 253 P C 1.372 178.683 177.300 0.018 0.000 1.151 253 P CA 0.955 64.062 63.100 0.012 0.000 0.787 253 P CB 0.530 32.227 31.700 -0.005 0.000 0.788 254 E N 0.777 121.003 120.200 0.043 0.000 2.427 254 E HA -0.005 4.346 4.350 0.001 0.000 0.196 254 E C 0.716 177.335 176.600 0.032 0.000 1.028 254 E CA 0.058 56.485 56.400 0.044 0.000 0.864 254 E CB -0.788 28.952 29.700 0.067 0.000 0.813 254 E HN 0.031 nan 8.360 nan 0.000 0.514 255 A N 1.686 124.521 122.820 0.025 0.000 2.483 255 A HA 0.152 4.472 4.320 0.001 0.000 0.238 255 A C 0.220 177.750 177.584 -0.090 0.000 1.070 255 A CA -0.034 51.989 52.037 -0.023 0.000 0.770 255 A CB 0.356 19.338 19.000 -0.031 0.000 1.008 255 A HN 0.011 nan 8.150 nan 0.000 0.497 256 K N 1.623 121.933 120.400 -0.151 0.000 2.213 256 K HA 0.412 4.733 4.320 0.001 0.000 0.270 256 K C -1.013 175.419 176.600 -0.281 0.000 1.002 256 K CA -0.595 55.527 56.287 -0.275 0.000 0.868 256 K CB 1.292 33.488 32.500 -0.507 0.000 1.093 256 K HN 0.563 nan 8.250 nan 0.000 0.454 257 L N 3.013 124.085 121.223 -0.252 0.000 2.397 257 L HA 0.221 4.561 4.340 0.001 0.000 0.271 257 L C -0.301 176.409 176.870 -0.267 0.000 1.148 257 L CA 0.026 54.718 54.840 -0.246 0.000 0.825 257 L CB 1.170 43.125 42.059 -0.172 0.000 1.117 257 L HN 0.217 nan 8.230 nan 0.000 0.456 258 V N 4.733 124.459 119.914 -0.315 0.000 2.638 258 V HA 0.435 4.556 4.120 0.001 0.000 0.306 258 V C 0.228 176.225 176.094 -0.161 0.000 1.052 258 V CA -0.441 61.719 62.300 -0.233 0.000 0.885 258 V CB 1.843 33.514 31.823 -0.253 0.000 0.999 258 V HN 0.616 nan 8.190 nan 0.000 0.424 259 V N 3.294 123.174 119.914 -0.056 0.000 3.430 259 V HA 0.267 4.388 4.120 0.001 0.000 0.211 259 V C 2.061 178.193 176.094 0.063 0.000 1.173 259 V CA 1.276 63.575 62.300 -0.003 0.000 1.310 259 V CB -0.290 31.525 31.823 -0.014 0.000 1.361 259 V HN 0.866 nan 8.190 nan 0.000 0.512 260 G N -0.587 108.248 108.800 0.059 0.000 2.623 260 G HA2 -0.113 3.847 3.960 0.001 0.000 0.214 260 G HA3 -0.113 3.847 3.960 0.001 0.000 0.214 260 G C 0.798 175.766 174.900 0.113 0.000 1.138 260 G CA 0.868 46.021 45.100 0.089 0.000 0.794 260 G HN 0.617 nan 8.290 nan 0.000 0.535 261 N N -0.587 118.175 118.700 0.103 0.000 2.828 261 N HA -0.220 4.520 4.740 0.001 0.000 0.248 261 N C 1.433 177.018 175.510 0.125 0.000 1.044 261 N CA 1.844 54.968 53.050 0.122 0.000 0.851 261 N CB -1.651 36.935 38.487 0.164 0.000 1.136 261 N HN 0.421 nan 8.380 nan 0.000 0.572 262 T N -4.233 110.390 114.554 0.115 0.000 3.113 262 T HA 0.130 4.481 4.350 0.001 0.000 0.256 262 T C 1.316 176.088 174.700 0.121 0.000 1.131 262 T CA 1.198 63.373 62.100 0.126 0.000 1.074 262 T CB 0.333 69.280 68.868 0.131 0.000 0.944 262 T HN 0.389 nan 8.240 nan 0.000 0.516 263 E N 0.723 120.987 120.200 0.106 0.000 2.279 263 E HA 0.205 4.556 4.350 0.001 0.000 0.199 263 E C 1.866 178.543 176.600 0.127 0.000 0.893 263 E CA -0.054 56.407 56.400 0.102 0.000 0.978 263 E CB -0.276 29.466 29.700 0.070 0.000 0.964 263 E HN 0.232 nan 8.360 nan 0.000 0.486 264 I N 1.622 122.255 120.570 0.104 0.000 2.264 264 I HA -0.123 4.048 4.170 0.001 0.000 0.248 264 I C 2.282 178.531 176.117 0.220 0.000 1.111 264 I CA 1.713 63.103 61.300 0.150 0.000 1.382 264 I CB -1.636 36.396 38.000 0.054 0.000 1.060 264 I HN 0.337 nan 8.210 nan 0.000 0.418 265 G N 1.268 110.182 108.800 0.189 0.000 2.422 265 G HA2 -0.188 3.772 3.960 0.001 0.000 0.218 265 G HA3 -0.188 3.772 3.960 0.001 0.000 0.218 265 G C 1.626 176.668 174.900 0.237 0.000 1.146 265 G CA 0.298 45.514 45.100 0.193 0.000 0.769 265 G HN 0.216 nan 8.290 nan 0.000 0.547 266 I N 0.941 121.678 120.570 0.279 0.000 2.202 266 I HA -0.074 4.096 4.170 0.001 0.000 0.242 266 I C 2.547 178.884 176.117 0.366 0.000 1.091 266 I CA 1.067 62.612 61.300 0.409 0.000 1.368 266 I CB -1.235 36.919 38.000 0.256 0.000 1.058 266 I HN 0.304 nan 8.210 nan 0.000 0.410 267 E N 0.354 120.719 120.200 0.274 0.000 2.077 267 E HA -0.212 4.139 4.350 0.001 0.000 0.193 267 E C 2.334 179.039 176.600 0.175 0.000 0.989 267 E CA 1.259 57.812 56.400 0.255 0.000 0.800 267 E CB -0.103 29.802 29.700 0.342 0.000 0.746 267 E HN 0.362 nan 8.360 nan 0.000 0.452 268 M N 0.250 119.956 119.600 0.176 0.000 2.086 268 M HA -0.201 4.279 4.480 0.001 0.000 0.261 268 M C 2.287 178.565 176.300 -0.037 0.000 1.067 268 M CA 1.460 56.793 55.300 0.056 0.000 1.116 268 M CB 0.035 32.698 32.600 0.106 0.000 1.348 268 M HN -0.138 nan 8.290 nan 0.000 0.407 269 K N -0.173 120.189 120.400 -0.064 0.000 2.098 269 K HA -0.008 4.312 4.320 0.001 0.000 0.203 269 K C 1.132 177.441 176.600 -0.484 0.000 1.051 269 K CA 1.539 57.619 56.287 -0.346 0.000 0.957 269 K CB -0.020 32.165 32.500 -0.525 0.000 0.738 269 K HN 0.243 nan 8.250 nan 0.000 0.447 270 F N 0.314 120.279 119.950 0.025 0.000 2.717 270 F HA 0.246 4.774 4.527 0.001 0.000 0.297 270 F C 1.050 176.856 175.800 0.011 0.000 1.113 270 F CA -0.035 57.979 58.000 0.023 0.000 1.319 270 F CB 0.611 39.645 39.000 0.056 0.000 1.097 270 F HN -0.146 nan 8.300 nan 0.000 0.595 271 K N -0.277 120.217 120.400 0.157 0.000 2.414 271 K HA 0.202 4.522 4.320 0.001 0.000 0.204 271 K C -0.289 176.319 176.600 0.013 0.000 1.026 271 K CA -0.045 56.303 56.287 0.101 0.000 1.108 271 K CB -0.379 32.203 32.500 0.136 0.000 0.855 271 K HN 0.097 nan 8.250 nan 0.000 0.517 272 N N 2.562 121.219 118.700 -0.073 0.000 2.727 272 N HA -0.147 4.594 4.740 0.001 0.000 0.249 272 N C -0.690 174.757 175.510 -0.104 0.000 1.048 272 N CA 0.860 53.837 53.050 -0.122 0.000 0.714 272 N CB -0.695 37.694 38.487 -0.164 0.000 0.959 272 N HN 0.368 nan 8.380 nan 0.000 0.544 273 Q N 0.400 120.106 119.800 -0.156 0.000 2.259 273 Q HA 0.512 4.852 4.340 0.001 0.000 0.246 273 Q C 0.224 175.934 176.000 -0.484 0.000 0.920 273 Q CA -0.370 55.214 55.803 -0.365 0.000 0.895 273 Q CB 1.817 30.287 28.738 -0.446 0.000 1.220 273 Q HN 0.400 nan 8.270 nan 0.000 0.439 274 L N 2.183 123.059 121.223 -0.578 0.000 2.376 274 L HA 0.487 4.828 4.340 0.001 0.000 0.275 274 L C -1.680 174.860 176.870 -0.549 0.000 0.987 274 L CA -0.256 54.323 54.840 -0.436 0.000 0.828 274 L CB 0.981 42.936 42.059 -0.174 0.000 1.249 274 L HN 0.432 nan 8.230 nan 0.000 0.409 275 F N 6.806 126.777 119.950 0.036 0.000 2.325 275 F HA 0.475 5.003 4.527 0.001 0.000 0.369 275 F C -1.389 174.425 175.800 0.024 0.000 1.095 275 F CA -1.361 56.653 58.000 0.023 0.000 1.082 275 F CB 1.104 40.111 39.000 0.012 0.000 1.289 275 F HN 0.456 nan 8.300 nan 0.000 0.462 276 P HA -0.076 nan 4.420 nan 0.000 0.233 276 P C 0.034 177.381 177.300 0.078 0.000 1.167 276 P CA 0.948 64.101 63.100 0.089 0.000 0.770 276 P CB 0.670 32.404 31.700 0.056 0.000 0.837 277 M N 0.185 119.830 119.600 0.074 0.000 2.263 277 M HA 0.414 4.894 4.480 0.001 0.000 0.295 277 M C -1.558 174.724 176.300 -0.031 0.000 1.028 277 M CA -0.905 54.393 55.300 -0.003 0.000 0.921 277 M CB 2.066 34.613 32.600 -0.087 0.000 1.601 277 M HN -0.329 nan 8.290 nan 0.000 0.440 278 I N 5.345 125.860 120.570 -0.091 0.000 2.441 278 I HA 0.472 4.643 4.170 0.001 0.000 0.295 278 I C -0.941 174.897 176.117 -0.464 0.000 0.994 278 I CA -0.766 60.366 61.300 -0.280 0.000 1.144 278 I CB 2.143 39.958 38.000 -0.308 0.000 1.314 278 I HN 0.657 nan 8.210 nan 0.000 0.445 279 I N 5.508 125.795 120.570 -0.471 0.000 2.378 279 I HA 0.272 4.443 4.170 0.001 0.000 0.291 279 I C -0.545 175.214 176.117 -0.597 0.000 0.992 279 I CA -0.439 60.572 61.300 -0.480 0.000 1.154 279 I CB 1.782 39.616 38.000 -0.276 0.000 1.315 279 I HN 0.527 nan 8.210 nan 0.000 0.448 280 C N 9.186 128.065 119.300 -0.702 0.000 2.251 280 C HA 0.536 4.997 4.460 0.001 0.000 0.323 280 C C -1.603 173.194 174.990 -0.320 0.000 1.241 280 C CA -1.537 57.163 59.018 -0.531 0.000 1.601 280 C CB 0.570 28.008 27.740 -0.502 0.000 2.251 280 C HN 0.608 nan 8.230 nan 0.000 0.488 281 P HA 0.165 nan 4.420 nan 0.000 0.266 281 P C 0.997 178.272 177.300 -0.042 0.000 1.381 281 P CA 0.385 63.415 63.100 -0.116 0.000 0.940 281 P CB 0.168 31.813 31.700 -0.091 0.000 1.435 282 A N -0.195 122.593 122.820 -0.054 0.000 1.940 282 A HA -0.153 4.167 4.320 0.001 0.000 0.219 282 A C 1.671 179.392 177.584 0.229 0.000 1.176 282 A CA 1.196 53.270 52.037 0.061 0.000 0.631 282 A CB -1.629 17.421 19.000 0.082 0.000 0.814 282 A HN 0.182 nan 8.150 nan 0.000 0.446 283 W N -0.223 121.113 121.300 0.060 0.000 2.595 283 W HA 0.237 4.897 4.660 0.001 0.000 0.257 283 W C 0.431 176.971 176.519 0.036 0.000 1.267 283 W CA -0.780 56.603 57.345 0.063 0.000 1.300 283 W CB -0.866 28.645 29.460 0.085 0.000 1.120 283 W HN 0.112 nan 8.180 nan 0.000 0.618 284 I N 3.116 123.828 120.570 0.238 0.000 2.517 284 I HA -0.047 4.124 4.170 0.001 0.000 0.285 284 I C -0.946 175.225 176.117 0.090 0.000 1.106 284 I CA -1.339 60.046 61.300 0.141 0.000 1.402 284 I CB 0.875 38.922 38.000 0.079 0.000 1.399 284 I HN -0.348 nan 8.210 nan 0.000 0.535 285 P HA -0.189 nan 4.420 nan 0.000 0.216 285 P C 0.996 178.303 177.300 0.013 0.000 1.153 285 P CA 1.324 64.445 63.100 0.035 0.000 0.858 285 P CB 0.223 31.938 31.700 0.024 0.000 0.789 286 E N -0.963 119.242 120.200 0.008 0.000 2.268 286 E HA -0.071 4.280 4.350 0.001 0.000 0.195 286 E C 1.692 178.283 176.600 -0.014 0.000 0.995 286 E CA 0.663 57.056 56.400 -0.011 0.000 0.836 286 E CB -0.880 28.811 29.700 -0.015 0.000 0.763 286 E HN 0.231 nan 8.360 nan 0.000 0.491 287 L N 0.620 121.843 121.223 0.000 0.000 2.599 287 L HA 0.051 4.391 4.340 0.001 0.000 0.230 287 L C 1.163 178.034 176.870 0.001 0.000 1.141 287 L CA 0.501 55.339 54.840 -0.004 0.000 0.877 287 L CB 0.116 42.176 42.059 0.002 0.000 1.009 287 L HN 0.137 nan 8.230 nan 0.000 0.447 288 N N -0.639 118.063 118.700 0.004 0.000 2.171 288 N HA 0.205 4.946 4.740 0.001 0.000 0.212 288 N C 0.466 175.968 175.510 -0.013 0.000 1.184 288 N CA 0.051 53.102 53.050 0.002 0.000 0.888 288 N CB 1.010 39.503 38.487 0.010 0.000 1.038 288 N HN 0.106 nan 8.380 nan 0.000 0.517 289 A N 1.141 123.942 122.820 -0.031 0.000 2.407 289 A HA 0.480 4.800 4.320 0.001 0.000 0.248 289 A C 0.136 177.654 177.584 -0.110 0.000 1.082 289 A CA 0.051 52.050 52.037 -0.062 0.000 0.785 289 A CB 0.694 19.654 19.000 -0.067 0.000 1.020 289 A HN -0.049 nan 8.150 nan 0.000 0.489 290 V N 2.570 122.386 119.914 -0.162 0.000 2.483 290 V HA 0.411 4.532 4.120 0.001 0.000 0.297 290 V C -0.372 175.519 176.094 -0.339 0.000 1.027 290 V CA -0.380 61.706 62.300 -0.356 0.000 0.855 290 V CB 1.380 33.015 31.823 -0.313 0.000 0.995 290 V HN 1.021 nan 8.190 nan 0.000 0.424 291 E N 3.123 123.045 120.200 -0.463 0.000 2.248 291 E HA 0.502 4.852 4.350 0.001 0.000 0.267 291 E C -1.186 175.147 176.600 -0.446 0.000 0.877 291 E CA -0.805 55.412 56.400 -0.304 0.000 0.759 291 E CB 1.976 31.561 29.700 -0.193 0.000 1.182 291 E HN 0.683 nan 8.360 nan 0.000 0.418 292 H N 1.822 120.799 119.070 -0.154 0.000 2.685 292 H HA 0.334 4.890 4.556 0.001 0.000 0.286 292 H C 0.017 175.326 175.328 -0.032 0.000 1.102 292 H CA -0.458 55.535 56.048 -0.091 0.000 1.254 292 H CB 1.211 30.948 29.762 -0.040 0.000 1.397 292 H HN 0.632 nan 8.280 nan 0.000 0.473 293 G N 2.637 111.452 108.800 0.024 0.000 2.601 293 G HA2 0.199 4.160 3.960 0.001 0.000 0.317 293 G HA3 0.199 4.160 3.960 0.001 0.000 0.317 293 G C -1.401 173.581 174.900 0.137 0.000 1.246 293 G CA -1.359 43.761 45.100 0.033 0.000 1.012 293 G HN 0.267 nan 8.290 nan 0.000 0.494 294 P HA -0.010 nan 4.420 nan 0.000 0.221 294 P C 0.793 178.226 177.300 0.221 0.000 1.150 294 P CA 0.969 64.152 63.100 0.137 0.000 0.800 294 P CB 0.534 32.267 31.700 0.055 0.000 0.787 295 E N -0.397 119.873 120.200 0.116 0.000 2.364 295 E HA 0.261 4.612 4.350 0.001 0.000 0.196 295 E C 1.382 177.918 176.600 -0.107 0.000 0.990 295 E CA 0.548 56.988 56.400 0.066 0.000 0.886 295 E CB 0.620 30.309 29.700 -0.019 0.000 0.866 295 E HN 0.281 nan 8.360 nan 0.000 0.493 296 G N 0.353 108.954 108.800 -0.333 0.000 2.335 296 G HA2 0.344 4.304 3.960 0.001 0.000 0.291 296 G HA3 0.344 4.304 3.960 0.001 0.000 0.291 296 G C -1.529 173.053 174.900 -0.531 0.000 1.261 296 G CA -0.925 43.702 45.100 -0.788 0.000 0.871 296 G HN -0.021 nan 8.290 nan 0.000 0.491 297 I N 1.210 121.522 120.570 -0.430 0.000 2.404 297 I HA 0.549 4.720 4.170 0.001 0.000 0.293 297 I C -0.018 175.745 176.117 -0.589 0.000 0.992 297 I CA -0.761 60.204 61.300 -0.559 0.000 1.149 297 I CB 1.898 39.486 38.000 -0.687 0.000 1.315 297 I HN 0.424 nan 8.210 nan 0.000 0.446 298 S N 6.351 121.637 115.700 -0.690 0.000 2.449 298 S HA 0.664 5.134 4.470 0.001 0.000 0.310 298 S C -1.038 173.149 174.600 -0.688 0.000 1.096 298 S CA -0.395 57.502 58.200 -0.506 0.000 1.095 298 S CB 0.455 63.466 63.200 -0.314 0.000 1.007 298 S HN 0.340 nan 8.310 nan 0.000 0.474 299 F N 2.658 122.469 119.950 -0.233 0.000 2.458 299 F HA 0.539 5.066 4.527 0.001 0.000 0.336 299 F C 1.278 176.979 175.800 -0.165 0.000 1.114 299 F CA -0.647 57.232 58.000 -0.200 0.000 0.987 299 F CB 1.518 40.394 39.000 -0.206 0.000 1.130 299 F HN 0.755 nan 8.300 nan 0.000 0.458 300 G N 0.998 109.809 108.800 0.018 0.000 2.562 300 G HA2 0.254 4.215 3.960 0.001 0.000 0.233 300 G HA3 0.254 4.215 3.960 0.001 0.000 0.233 300 G C 0.824 175.724 174.900 0.001 0.000 1.266 300 G CA 0.059 45.154 45.100 -0.007 0.000 0.852 300 G HN 0.956 nan 8.290 nan 0.000 0.581 301 A N 1.587 124.392 122.820 -0.025 0.000 2.121 301 A HA 0.280 4.601 4.320 0.001 0.000 0.218 301 A C 2.453 180.019 177.584 -0.030 0.000 1.154 301 A CA 1.932 53.949 52.037 -0.034 0.000 0.679 301 A CB -0.143 18.834 19.000 -0.038 0.000 0.795 301 A HN 1.288 nan 8.150 nan 0.000 0.458 302 A N -1.433 121.373 122.820 -0.022 0.000 2.195 302 A HA 0.222 4.543 4.320 0.001 0.000 0.210 302 A C 0.938 178.500 177.584 -0.037 0.000 1.165 302 A CA 0.023 52.047 52.037 -0.022 0.000 0.806 302 A CB -0.886 18.112 19.000 -0.003 0.000 0.847 302 A HN 0.434 nan 8.150 nan 0.000 0.482 303 C N 1.960 121.237 119.300 -0.038 0.000 2.298 303 C HA 0.308 4.768 4.460 0.001 0.000 0.395 303 C C 1.489 176.399 174.990 -0.133 0.000 1.526 303 C CA -0.268 58.709 59.018 -0.067 0.000 1.458 303 C CB -1.908 25.818 27.740 -0.023 0.000 2.506 303 C HN 0.638 nan 8.230 nan 0.000 0.604 304 A N 4.669 127.393 122.820 -0.160 0.000 2.448 304 A HA 0.299 4.620 4.320 0.001 0.000 0.239 304 A C 1.189 178.625 177.584 -0.247 0.000 1.080 304 A CA -0.259 51.662 52.037 -0.193 0.000 0.779 304 A CB 0.173 19.034 19.000 -0.232 0.000 1.026 304 A HN 0.935 nan 8.150 nan 0.000 0.499 305 L N 1.542 122.604 121.223 -0.269 0.000 2.131 305 L HA -0.192 4.149 4.340 0.001 0.000 0.210 305 L C 2.795 179.475 176.870 -0.318 0.000 1.092 305 L CA 1.709 56.337 54.840 -0.353 0.000 0.759 305 L CB -0.560 41.213 42.059 -0.476 0.000 0.903 305 L HN 0.976 nan 8.230 nan 0.000 0.435 306 S N -1.300 114.250 115.700 -0.251 0.000 2.382 306 S HA -0.158 4.313 4.470 0.001 0.000 0.228 306 S C 2.086 176.563 174.600 -0.205 0.000 1.027 306 S CA 1.363 59.438 58.200 -0.209 0.000 0.991 306 S CB -0.387 62.711 63.200 -0.169 0.000 0.823 306 S HN 0.324 nan 8.310 nan 0.000 0.469 307 S N 1.522 117.093 115.700 -0.215 0.000 2.368 307 S HA 0.001 4.472 4.470 0.001 0.000 0.224 307 S C 2.007 176.483 174.600 -0.207 0.000 1.029 307 S CA 1.120 59.219 58.200 -0.169 0.000 0.988 307 S CB -0.614 62.508 63.200 -0.131 0.000 0.838 307 S HN 0.421 nan 8.310 nan 0.000 0.462 308 V N 1.861 121.536 119.914 -0.399 0.000 2.287 308 V HA -0.228 3.892 4.120 0.001 0.000 0.248 308 V C 2.480 178.328 176.094 -0.409 0.000 1.053 308 V CA 2.067 63.941 62.300 -0.709 0.000 1.027 308 V CB -0.628 30.668 31.823 -0.879 0.000 0.646 308 V HN 0.517 nan 8.190 nan 0.000 0.447 309 E N 0.250 120.266 120.200 -0.307 0.000 2.038 309 E HA -0.293 4.057 4.350 0.001 0.000 0.195 309 E C 2.385 178.892 176.600 -0.154 0.000 1.000 309 E CA 1.730 57.996 56.400 -0.223 0.000 0.803 309 E CB -0.177 29.396 29.700 -0.212 0.000 0.750 309 E HN 0.525 nan 8.360 nan 0.000 0.448 310 K N -0.359 119.962 120.400 -0.132 0.000 2.063 310 K HA -0.143 4.177 4.320 0.001 0.000 0.208 310 K C 1.999 178.570 176.600 -0.048 0.000 1.048 310 K CA 1.826 58.062 56.287 -0.085 0.000 0.928 310 K CB -0.087 32.366 32.500 -0.079 0.000 0.713 310 K HN 0.126 nan 8.250 nan 0.000 0.442 311 T N 1.576 116.119 114.554 -0.018 0.000 2.821 311 T HA -0.084 4.266 4.350 0.001 0.000 0.267 311 T C 1.651 176.346 174.700 -0.009 0.000 1.046 311 T CA 0.757 62.891 62.100 0.056 0.000 1.139 311 T CB -0.014 69.000 68.868 0.243 0.000 0.871 311 T HN 0.053 nan 8.240 nan 0.000 0.454 312 L N 0.667 121.837 121.223 -0.088 0.000 2.072 312 L HA 0.159 4.500 4.340 0.001 0.000 0.205 312 L C 2.270 179.094 176.870 -0.076 0.000 1.079 312 L CA 1.204 55.927 54.840 -0.195 0.000 0.752 312 L CB -1.158 40.756 42.059 -0.242 0.000 0.906 312 L HN 0.254 nan 8.230 nan 0.000 0.436 313 L N -0.841 120.348 121.223 -0.056 0.000 2.012 313 L HA -0.269 4.071 4.340 0.001 0.000 0.210 313 L C 2.485 179.355 176.870 -0.000 0.000 1.073 313 L CA 1.404 56.230 54.840 -0.024 0.000 0.748 313 L CB -0.445 41.589 42.059 -0.042 0.000 0.891 313 L HN 0.281 nan 8.230 nan 0.000 0.431 314 E N -0.271 119.926 120.200 -0.005 0.000 2.077 314 E HA -0.236 4.115 4.350 0.001 0.000 0.193 314 E C 2.263 178.886 176.600 0.038 0.000 0.989 314 E CA 1.237 57.642 56.400 0.008 0.000 0.800 314 E CB -0.192 29.509 29.700 0.001 0.000 0.746 314 E HN 0.500 nan 8.360 nan 0.000 0.452 315 A N 0.424 123.277 122.820 0.055 0.000 1.972 315 A HA -0.149 4.172 4.320 0.001 0.000 0.219 315 A C 2.384 180.076 177.584 0.180 0.000 1.169 315 A CA 1.139 53.259 52.037 0.138 0.000 0.635 315 A CB -0.427 18.660 19.000 0.145 0.000 0.810 315 A HN 0.155 nan 8.150 nan 0.000 0.446 316 V N -0.653 119.349 119.914 0.146 0.000 2.667 316 V HA -0.125 3.996 4.120 0.001 0.000 0.252 316 V C 2.892 179.040 176.094 0.090 0.000 1.065 316 V CA 1.606 63.998 62.300 0.152 0.000 1.083 316 V CB -0.680 31.221 31.823 0.129 0.000 0.692 316 V HN 0.607 nan 8.190 nan 0.000 0.468 317 A N -0.610 122.246 122.820 0.060 0.000 1.930 317 A HA -0.106 4.214 4.320 0.001 0.000 0.215 317 A C 2.291 179.893 177.584 0.030 0.000 1.176 317 A CA 1.292 53.350 52.037 0.035 0.000 0.632 317 A CB -0.232 18.779 19.000 0.019 0.000 0.819 317 A HN 0.465 nan 8.150 nan 0.000 0.445 318 K N -0.893 119.528 120.400 0.036 0.000 2.116 318 K HA 0.179 4.499 4.320 0.001 0.000 0.203 318 K C 0.047 176.659 176.600 0.020 0.000 1.052 318 K CA 0.341 56.641 56.287 0.020 0.000 0.952 318 K CB -0.120 32.390 32.500 0.016 0.000 0.729 318 K HN 0.378 nan 8.250 nan 0.000 0.446 319 L N 1.722 122.972 121.223 0.045 0.000 2.375 319 L HA 0.293 4.634 4.340 0.001 0.000 0.268 319 L C -2.243 174.631 176.870 0.007 0.000 1.058 319 L CA -2.507 52.345 54.840 0.019 0.000 0.803 319 L CB 0.660 42.748 42.059 0.049 0.000 1.212 319 L HN -0.113 nan 8.230 nan 0.000 0.451 320 P HA 0.011 nan 4.420 nan 0.000 0.262 320 P C 0.607 177.900 177.300 -0.010 0.000 1.182 320 P CA 0.085 63.170 63.100 -0.025 0.000 0.761 320 P CB 0.473 32.142 31.700 -0.053 0.000 0.795 321 T N 1.300 115.861 114.554 0.012 0.000 2.714 321 T HA -0.252 4.099 4.350 0.001 0.000 0.268 321 T C 1.541 176.254 174.700 0.021 0.000 1.036 321 T CA 1.664 63.783 62.100 0.032 0.000 1.148 321 T CB -0.336 68.560 68.868 0.046 0.000 0.856 321 T HN 0.432 nan 8.240 nan 0.000 0.462 322 Q N 0.289 120.088 119.800 -0.003 0.000 2.488 322 Q HA 0.041 4.381 4.340 0.001 0.000 0.211 322 Q C 1.752 177.697 176.000 -0.093 0.000 0.967 322 Q CA 0.885 56.668 55.803 -0.033 0.000 0.926 322 Q CB 0.039 28.753 28.738 -0.040 0.000 0.992 322 Q HN 0.200 nan 8.270 nan 0.000 0.506 323 K N -1.162 119.178 120.400 -0.100 0.000 2.379 323 K HA 0.102 4.423 4.320 0.001 0.000 0.194 323 K C 1.107 177.596 176.600 -0.185 0.000 1.031 323 K CA 1.091 57.286 56.287 -0.153 0.000 1.037 323 K CB 0.491 32.849 32.500 -0.236 0.000 0.824 323 K HN 0.307 nan 8.250 nan 0.000 0.516 324 T N -2.283 112.192 114.554 -0.132 0.000 3.228 324 T HA 0.230 4.581 4.350 0.001 0.000 0.278 324 T C 0.963 175.599 174.700 -0.106 0.000 1.014 324 T CA -0.359 61.653 62.100 -0.146 0.000 0.904 324 T CB 0.448 69.397 68.868 0.134 0.000 1.110 324 T HN -0.119 nan 8.240 nan 0.000 0.541 325 E N 1.214 121.342 120.200 -0.120 0.000 2.106 325 E HA -0.049 4.301 4.350 0.001 0.000 0.192 325 E C 2.075 178.634 176.600 -0.068 0.000 0.984 325 E CA 0.923 57.324 56.400 0.002 0.000 0.806 325 E CB -0.071 29.674 29.700 0.075 0.000 0.750 325 E HN 0.449 nan 8.360 nan 0.000 0.458 326 V N 1.074 120.780 119.914 -0.346 0.000 2.407 326 V HA -0.186 3.935 4.120 0.001 0.000 0.245 326 V C 2.132 178.092 176.094 -0.222 0.000 1.041 326 V CA 1.152 63.049 62.300 -0.672 0.000 1.040 326 V CB -0.583 30.819 31.823 -0.702 0.000 0.671 326 V HN 0.087 nan 8.190 nan 0.000 0.455 327 F N 1.061 120.922 119.950 -0.149 0.000 2.154 327 F HA -0.177 4.351 4.527 0.001 0.000 0.301 327 F C 2.553 178.327 175.800 -0.043 0.000 1.087 327 F CA 1.374 59.336 58.000 -0.063 0.000 1.274 327 F CB -1.018 37.984 39.000 0.004 0.000 1.009 327 F HN 0.116 nan 8.300 nan 0.000 0.485 328 R N -0.400 120.206 120.500 0.176 0.000 2.115 328 R HA -0.020 4.321 4.340 0.001 0.000 0.226 328 R C 2.583 178.937 176.300 0.090 0.000 1.100 328 R CA 0.849 57.020 56.100 0.118 0.000 0.980 328 R CB -0.894 29.473 30.300 0.113 0.000 0.875 328 R HN 0.360 nan 8.270 nan 0.000 0.445 329 G N 0.514 109.391 108.800 0.128 0.000 2.421 329 G HA2 -0.224 3.736 3.960 0.001 0.000 0.216 329 G HA3 -0.224 3.736 3.960 0.001 0.000 0.216 329 G C 1.430 176.364 174.900 0.055 0.000 1.171 329 G CA 0.773 45.971 45.100 0.165 0.000 0.775 329 G HN 0.111 nan 8.290 nan 0.000 0.543 330 V N 1.063 120.988 119.914 0.018 0.000 2.287 330 V HA -0.185 3.936 4.120 0.001 0.000 0.248 330 V C 2.947 179.005 176.094 -0.060 0.000 1.053 330 V CA 1.697 63.971 62.300 -0.042 0.000 1.027 330 V CB -0.531 31.287 31.823 -0.008 0.000 0.646 330 V HN 0.347 nan 8.190 nan 0.000 0.447 331 L N -0.184 121.018 121.223 -0.035 0.000 2.046 331 L HA -0.201 4.139 4.340 0.001 0.000 0.208 331 L C 2.667 179.486 176.870 -0.084 0.000 1.077 331 L CA 1.860 56.658 54.840 -0.069 0.000 0.747 331 L CB -0.589 41.449 42.059 -0.036 0.000 0.896 331 L HN 0.376 nan 8.230 nan 0.000 0.432 332 E N -0.115 120.063 120.200 -0.036 0.000 2.077 332 E HA -0.232 4.118 4.350 0.001 0.000 0.193 332 E C 2.212 178.819 176.600 0.011 0.000 0.989 332 E CA 1.353 57.746 56.400 -0.012 0.000 0.800 332 E CB -0.004 29.708 29.700 0.020 0.000 0.746 332 E HN 0.325 nan 8.360 nan 0.000 0.452 333 Q N -0.005 119.802 119.800 0.012 0.000 2.079 333 Q HA -0.066 4.275 4.340 0.001 0.000 0.200 333 Q C 2.499 178.544 176.000 0.074 0.000 0.974 333 Q CA 1.134 56.981 55.803 0.074 0.000 0.840 333 Q CB -0.384 28.373 28.738 0.031 0.000 0.898 333 Q HN 0.392 nan 8.270 nan 0.000 0.430 334 L N 0.342 121.537 121.223 -0.047 0.000 2.265 334 L HA -0.124 4.217 4.340 0.001 0.000 0.215 334 L C 2.556 179.335 176.870 -0.152 0.000 1.117 334 L CA 0.717 55.495 54.840 -0.104 0.000 0.782 334 L CB -0.335 41.590 42.059 -0.225 0.000 0.914 334 L HN 0.149 nan 8.230 nan 0.000 0.441 335 R N -0.479 119.821 120.500 -0.334 0.000 2.120 335 R HA -0.165 4.176 4.340 0.001 0.000 0.234 335 R C 0.853 176.664 176.300 -0.816 0.000 1.123 335 R CA 1.560 57.230 56.100 -0.718 0.000 0.975 335 R CB -0.124 29.458 30.300 -1.197 0.000 0.866 335 R HN 0.460 nan 8.270 nan 0.000 0.446 336 W N -1.160 120.170 121.300 0.050 0.000 2.693 336 W HA 0.241 4.902 4.660 0.001 0.000 0.415 336 W C -0.401 176.162 176.519 0.072 0.000 0.932 336 W CA -0.967 56.394 57.345 0.027 0.000 2.200 336 W CB 0.232 29.684 29.460 -0.013 0.000 1.188 336 W HN -0.146 nan 8.180 nan 0.000 0.665 337 F N 1.708 121.700 119.950 0.070 0.000 2.332 337 F HA 0.648 5.175 4.527 0.001 0.000 0.368 337 F C 1.021 176.837 175.800 0.027 0.000 1.110 337 F CA -0.454 57.569 58.000 0.037 0.000 1.087 337 F CB 0.129 39.116 39.000 -0.021 0.000 1.235 337 F HN 0.073 nan 8.300 nan 0.000 0.470 338 A N 3.664 126.591 122.820 0.179 0.000 5.684 338 A HA 0.046 4.367 4.320 0.001 0.000 0.306 338 A C 0.564 178.253 177.584 0.174 0.000 1.885 338 A CA 0.948 53.098 52.037 0.188 0.000 0.721 338 A CB -1.845 17.323 19.000 0.279 0.000 1.295 338 A HN 1.568 nan 8.150 nan 0.000 0.386 339 G N -3.684 105.205 108.800 0.148 0.000 2.975 339 G HA2 0.541 4.501 3.960 0.001 0.000 0.291 339 G HA3 0.541 4.501 3.960 0.001 0.000 0.291 339 G C 0.237 175.172 174.900 0.058 0.000 1.334 339 G CA 0.458 45.613 45.100 0.091 0.000 0.843 339 G HN 0.668 nan 8.290 nan 0.000 0.548 340 K N -0.387 120.023 120.400 0.017 0.000 2.063 340 K HA -0.105 4.216 4.320 0.001 0.000 0.208 340 K C 2.562 179.190 176.600 0.046 0.000 1.048 340 K CA 1.499 57.783 56.287 -0.004 0.000 0.928 340 K CB -0.362 32.108 32.500 -0.051 0.000 0.713 340 K HN 0.463 nan 8.250 nan 0.000 0.442 341 Q N 0.335 120.180 119.800 0.075 0.000 2.050 341 Q HA -0.088 4.252 4.340 0.001 0.000 0.202 341 Q C 2.274 178.347 176.000 0.121 0.000 0.980 341 Q CA 1.222 57.091 55.803 0.110 0.000 0.840 341 Q CB -0.513 28.293 28.738 0.113 0.000 0.898 341 Q HN 0.014 nan 8.270 nan 0.000 0.424 342 V N 0.811 120.795 119.914 0.117 0.000 2.307 342 V HA -0.237 3.883 4.120 0.001 0.000 0.245 342 V C 1.951 178.098 176.094 0.089 0.000 1.045 342 V CA 1.762 64.140 62.300 0.130 0.000 1.024 342 V CB -0.417 31.508 31.823 0.170 0.000 0.651 342 V HN 0.321 nan 8.190 nan 0.000 0.449 343 K N -0.028 120.401 120.400 0.049 0.000 2.211 343 K HA -0.133 4.187 4.320 0.001 0.000 0.204 343 K C 2.250 178.798 176.600 -0.087 0.000 1.047 343 K CA 1.577 57.826 56.287 -0.063 0.000 0.935 343 K CB -0.238 32.197 32.500 -0.109 0.000 0.728 343 K HN 0.348 nan 8.250 nan 0.000 0.452 344 S N 0.301 115.986 115.700 -0.025 0.000 2.489 344 S HA -0.061 4.410 4.470 0.001 0.000 0.228 344 S C 1.832 176.364 174.600 -0.112 0.000 0.995 344 S CA 1.111 59.272 58.200 -0.065 0.000 0.934 344 S CB 0.214 63.490 63.200 0.127 0.000 0.771 344 S HN 0.316 nan 8.310 nan 0.000 0.522 345 V N -2.224 117.696 119.914 0.011 0.000 3.484 345 V HA 0.578 4.698 4.120 0.001 0.000 0.252 345 V C 0.724 176.826 176.094 0.012 0.000 1.282 345 V CA 0.029 62.350 62.300 0.037 0.000 1.104 345 V CB -0.705 31.208 31.823 0.150 0.000 0.868 345 V HN 0.252 nan 8.190 nan 0.000 0.457 346 A N 2.626 125.455 122.820 0.015 0.000 2.524 346 A HA 0.552 4.872 4.320 0.001 0.000 0.250 346 A C 0.713 178.269 177.584 -0.047 0.000 1.078 346 A CA 0.809 52.856 52.037 0.017 0.000 0.761 346 A CB -0.314 18.722 19.000 0.060 0.000 1.012 346 A HN 1.106 nan 8.150 nan 0.000 0.500 347 S N 2.761 118.445 115.700 -0.026 0.000 2.654 347 S HA 0.478 4.949 4.470 0.001 0.000 0.283 347 S C 1.055 175.628 174.600 -0.044 0.000 1.180 347 S CA -0.770 57.398 58.200 -0.053 0.000 1.021 347 S CB 0.997 64.178 63.200 -0.032 0.000 1.018 347 S HN 0.651 nan 8.310 nan 0.000 0.532 348 L N 1.411 122.591 121.223 -0.072 0.000 2.046 348 L HA -0.016 4.324 4.340 0.001 0.000 0.208 348 L C 2.510 179.396 176.870 0.026 0.000 1.077 348 L CA 1.955 56.773 54.840 -0.038 0.000 0.747 348 L CB -1.128 40.872 42.059 -0.099 0.000 0.896 348 L HN 1.032 nan 8.230 nan 0.000 0.432 349 G N -1.414 107.387 108.800 0.001 0.000 2.448 349 G HA2 -0.142 3.818 3.960 0.001 0.000 0.218 349 G HA3 -0.142 3.818 3.960 0.001 0.000 0.218 349 G C 1.468 176.398 174.900 0.050 0.000 1.135 349 G CA 0.561 45.674 45.100 0.022 0.000 0.784 349 G HN 0.522 nan 8.290 nan 0.000 0.543 350 G N 0.731 109.552 108.800 0.036 0.000 2.418 350 G HA2 -0.266 3.694 3.960 0.001 0.000 0.217 350 G HA3 -0.266 3.694 3.960 0.001 0.000 0.217 350 G C 1.669 176.621 174.900 0.087 0.000 1.158 350 G CA 1.028 46.154 45.100 0.044 0.000 0.771 350 G HN 0.460 nan 8.290 nan 0.000 0.545 351 N N 0.497 119.269 118.700 0.120 0.000 2.142 351 N HA -0.056 4.685 4.740 0.001 0.000 0.186 351 N C 2.341 177.967 175.510 0.193 0.000 1.023 351 N CA 0.997 54.149 53.050 0.171 0.000 0.852 351 N CB -0.098 38.525 38.487 0.226 0.000 0.998 351 N HN 0.357 nan 8.380 nan 0.000 0.424 352 I N 1.214 121.925 120.570 0.235 0.000 2.142 352 I HA -0.241 3.929 4.170 0.001 0.000 0.240 352 I C 2.063 178.396 176.117 0.359 0.000 1.078 352 I CA 0.775 62.281 61.300 0.342 0.000 1.343 352 I CB -0.156 38.024 38.000 0.299 0.000 1.046 352 I HN 0.120 nan 8.210 nan 0.000 0.405 353 I N 0.271 120.979 120.570 0.230 0.000 2.546 353 I HA -0.173 3.998 4.170 0.001 0.000 0.255 353 I C 2.539 178.722 176.117 0.110 0.000 1.163 353 I CA 1.382 62.787 61.300 0.175 0.000 1.457 353 I CB -1.826 36.227 38.000 0.088 0.000 1.092 353 I HN 0.241 nan 8.210 nan 0.000 0.434 354 T N 1.486 116.088 114.554 0.080 0.000 2.699 354 T HA -0.118 4.233 4.350 0.001 0.000 0.268 354 T C 1.379 176.080 174.700 0.002 0.000 1.036 354 T CA 1.683 63.799 62.100 0.027 0.000 1.147 354 T CB -0.341 68.544 68.868 0.029 0.000 0.862 354 T HN 0.572 nan 8.240 nan 0.000 0.446 355 A N 1.232 124.078 122.820 0.042 0.000 2.869 355 A HA -0.148 4.173 4.320 0.001 0.000 0.280 355 A C 0.927 178.408 177.584 -0.172 0.000 1.458 355 A CA 0.734 52.738 52.037 -0.055 0.000 0.776 355 A CB -2.303 16.750 19.000 0.087 0.000 1.028 355 A HN 0.598 nan 8.150 nan 0.000 0.547 356 S N -0.217 115.409 115.700 -0.124 0.000 2.549 356 S HA 0.420 4.891 4.470 0.001 0.000 0.286 356 S C -0.405 174.120 174.600 -0.124 0.000 1.314 356 S CA -0.499 57.634 58.200 -0.112 0.000 1.062 356 S CB 0.561 63.724 63.200 -0.061 0.000 0.865 356 S HN 0.319 nan 8.310 nan 0.000 0.498 357 P HA -0.079 nan 4.420 nan 0.000 0.220 357 P C 0.645 177.921 177.300 -0.039 0.000 1.144 357 P CA 0.910 63.992 63.100 -0.030 0.000 0.800 357 P CB -0.223 31.518 31.700 0.069 0.000 0.772 358 I N -5.888 114.657 120.570 -0.042 0.000 3.927 358 I HA 0.281 4.451 4.170 0.001 0.000 0.332 358 I C 0.403 176.478 176.117 -0.071 0.000 1.485 358 I CA -1.246 60.029 61.300 -0.042 0.000 1.131 358 I CB -0.931 37.050 38.000 -0.031 0.000 1.092 358 I HN -0.319 nan 8.210 nan 0.000 0.410 359 S N 1.870 117.520 115.700 -0.083 0.000 2.626 359 S HA -0.064 4.407 4.470 0.001 0.000 0.303 359 S C 1.037 175.599 174.600 -0.063 0.000 1.256 359 S CA 0.288 58.446 58.200 -0.070 0.000 1.069 359 S CB 0.037 63.199 63.200 -0.064 0.000 0.807 359 S HN 0.457 nan 8.310 nan 0.000 0.500 360 D N 4.291 124.661 120.400 -0.050 0.000 2.323 360 D HA 0.026 4.666 4.640 0.001 0.000 0.209 360 D C 1.615 177.876 176.300 -0.064 0.000 0.973 360 D CA 0.651 54.634 54.000 -0.029 0.000 0.874 360 D CB 0.193 41.001 40.800 0.013 0.000 0.930 360 D HN 0.512 nan 8.370 nan 0.000 0.521 361 L N 0.542 121.719 121.223 -0.078 0.000 2.168 361 L HA -0.008 4.333 4.340 0.001 0.000 0.203 361 L C 2.055 178.629 176.870 -0.494 0.000 1.078 361 L CA 0.415 55.017 54.840 -0.397 0.000 0.780 361 L CB -0.265 41.568 42.059 -0.378 0.000 0.939 361 L HN -0.130 nan 8.230 nan 0.000 0.451 362 N N 0.422 119.043 118.700 -0.131 0.000 2.120 362 N HA -0.127 4.614 4.740 0.001 0.000 0.188 362 N C -0.857 174.691 175.510 0.063 0.000 1.024 362 N CA 1.372 54.469 53.050 0.079 0.000 0.852 362 N CB -1.469 37.056 38.487 0.064 0.000 1.003 362 N HN 0.219 nan 8.380 nan 0.000 0.424 363 P HA -0.087 nan 4.420 nan 0.000 0.216 363 P C 1.703 179.009 177.300 0.011 0.000 1.150 363 P CA 0.773 63.867 63.100 -0.009 0.000 0.843 363 P CB 0.095 31.756 31.700 -0.066 0.000 0.787 364 V N -1.543 118.336 119.914 -0.058 0.000 2.407 364 V HA -0.145 3.976 4.120 0.001 0.000 0.245 364 V C 2.185 178.361 176.094 0.137 0.000 1.041 364 V CA 1.408 63.746 62.300 0.063 0.000 1.040 364 V CB -1.272 30.490 31.823 -0.101 0.000 0.671 364 V HN 0.031 nan 8.190 nan 0.000 0.455 365 F N -0.860 119.143 119.950 0.089 0.000 2.202 365 F HA -0.256 4.271 4.527 0.001 0.000 0.301 365 F C 2.409 178.249 175.800 0.066 0.000 1.082 365 F CA 1.699 59.727 58.000 0.047 0.000 1.313 365 F CB -0.159 38.863 39.000 0.037 0.000 1.024 365 F HN 0.155 nan 8.300 nan 0.000 0.495 366 M N 0.031 119.803 119.600 0.287 0.000 2.248 366 M HA -0.018 4.463 4.480 0.001 0.000 0.265 366 M C 2.457 178.868 176.300 0.186 0.000 1.079 366 M CA 1.383 56.824 55.300 0.236 0.000 1.150 366 M CB -0.153 32.612 32.600 0.275 0.000 1.366 366 M HN 0.085 nan 8.290 nan 0.000 0.433 367 A N 0.252 123.184 122.820 0.186 0.000 1.978 367 A HA -0.176 4.144 4.320 0.001 0.000 0.220 367 A C 2.096 179.839 177.584 0.265 0.000 1.170 367 A CA 2.230 54.381 52.037 0.190 0.000 0.636 367 A CB -0.967 18.106 19.000 0.121 0.000 0.810 367 A HN 0.711 nan 8.150 nan 0.000 0.448 368 S N -1.898 113.952 115.700 0.250 0.000 2.558 368 S HA 0.368 4.838 4.470 0.001 0.000 0.217 368 S C 1.379 176.005 174.600 0.044 0.000 0.975 368 S CA 0.967 59.228 58.200 0.102 0.000 0.912 368 S CB -0.463 62.684 63.200 -0.089 0.000 0.776 368 S HN 1.915 nan 8.310 nan 0.000 0.526 369 G N 1.514 110.352 108.800 0.064 0.000 2.283 369 G HA2 -0.266 3.694 3.960 0.001 0.000 0.280 369 G HA3 -0.266 3.694 3.960 0.001 0.000 0.280 369 G C 0.150 175.027 174.900 -0.038 0.000 1.029 369 G CA 0.436 45.544 45.100 0.013 0.000 0.840 369 G HN 0.583 nan 8.290 nan 0.000 0.505 370 T N 0.422 114.958 114.554 -0.030 0.000 2.946 370 T HA 0.210 4.561 4.350 0.001 0.000 0.312 370 T C 0.870 175.458 174.700 -0.187 0.000 1.066 370 T CA 0.565 62.596 62.100 -0.114 0.000 1.138 370 T CB 0.575 69.365 68.868 -0.130 0.000 1.014 370 T HN 0.368 nan 8.240 nan 0.000 0.544 371 K N 3.236 123.514 120.400 -0.203 0.000 2.248 371 K HA 0.357 4.678 4.320 0.001 0.000 0.281 371 K C -0.417 176.038 176.600 -0.241 0.000 1.054 371 K CA -0.389 55.780 56.287 -0.197 0.000 0.903 371 K CB 0.696 33.105 32.500 -0.153 0.000 1.077 371 K HN 0.459 nan 8.250 nan 0.000 0.474 372 L N 3.216 124.282 121.223 -0.261 0.000 2.265 372 L HA 0.280 4.621 4.340 0.001 0.000 0.289 372 L C 0.010 176.773 176.870 -0.178 0.000 1.033 372 L CA -0.653 54.029 54.840 -0.264 0.000 0.814 372 L CB 1.325 43.152 42.059 -0.387 0.000 1.203 372 L HN 0.512 nan 8.230 nan 0.000 0.423 373 T N 4.897 119.365 114.554 -0.143 0.000 2.733 373 T HA 0.568 4.919 4.350 0.001 0.000 0.294 373 T C -0.014 174.639 174.700 -0.078 0.000 0.956 373 T CA -0.056 61.983 62.100 -0.101 0.000 0.987 373 T CB 0.731 69.543 68.868 -0.093 0.000 0.920 373 T HN 0.298 nan 8.240 nan 0.000 0.470 374 I N 4.238 124.773 120.570 -0.057 0.000 2.418 374 I HA 0.514 4.685 4.170 0.001 0.000 0.287 374 I C -0.128 175.972 176.117 -0.029 0.000 1.008 374 I CA -1.053 60.227 61.300 -0.033 0.000 1.104 374 I CB 1.728 39.722 38.000 -0.010 0.000 1.264 374 I HN 0.380 nan 8.210 nan 0.000 0.438 375 V N 2.642 122.539 119.914 -0.027 0.000 2.960 375 V HA 0.945 5.065 4.120 0.001 0.000 0.315 375 V C -0.250 175.830 176.094 -0.024 0.000 1.087 375 V CA -0.462 61.823 62.300 -0.026 0.000 0.982 375 V CB 1.759 33.565 31.823 -0.029 0.000 1.039 375 V HN 0.785 nan 8.190 nan 0.000 0.437 376 S N 1.507 117.193 115.700 -0.023 0.000 2.685 376 S HA 0.601 5.072 4.470 0.001 0.000 0.282 376 S C -0.424 174.163 174.600 -0.022 0.000 1.159 376 S CA -1.037 57.149 58.200 -0.023 0.000 0.833 376 S CB 1.758 64.945 63.200 -0.023 0.000 1.151 376 S HN 1.127 nan 8.310 nan 0.000 0.485 377 R N 0.168 120.654 120.500 -0.022 0.000 2.494 377 R HA 0.246 4.586 4.340 0.001 0.000 0.291 377 R C 1.359 177.647 176.300 -0.020 0.000 0.953 377 R CA 1.591 57.678 56.100 -0.021 0.000 1.098 377 R CB -0.813 29.474 30.300 -0.022 0.000 0.911 377 R HN 1.587 nan 8.270 nan 0.000 0.407 378 G N 3.353 112.143 108.800 -0.018 0.000 2.337 378 G HA2 -0.324 3.637 3.960 0.001 0.000 0.290 378 G HA3 -0.324 3.637 3.960 0.001 0.000 0.290 378 G C -0.013 174.876 174.900 -0.018 0.000 1.003 378 G CA 1.128 46.218 45.100 -0.017 0.000 0.825 378 G HN 0.829 nan 8.290 nan 0.000 0.509 379 T N -3.648 110.894 114.554 -0.020 0.000 2.933 379 T HA 0.733 5.084 4.350 0.001 0.000 0.305 379 T C -0.776 173.910 174.700 -0.023 0.000 1.092 379 T CA -0.772 61.316 62.100 -0.020 0.000 1.008 379 T CB 2.728 71.585 68.868 -0.019 0.000 1.102 379 T HN 0.673 nan 8.240 nan 0.000 0.469 380 R N 1.767 122.253 120.500 -0.024 0.000 2.510 380 R HA 0.552 4.892 4.340 0.001 0.000 0.287 380 R C -0.751 175.531 176.300 -0.029 0.000 1.084 380 R CA -0.722 55.361 56.100 -0.028 0.000 0.934 380 R CB 1.244 31.526 30.300 -0.030 0.000 1.201 380 R HN 0.973 nan 8.270 nan 0.000 0.431 381 R N 1.539 122.019 120.500 -0.032 0.000 2.837 381 R HA 0.587 4.928 4.340 0.001 0.000 0.271 381 R C -1.417 174.854 176.300 -0.048 0.000 0.993 381 R CA -0.854 55.225 56.100 -0.035 0.000 0.931 381 R CB 2.274 32.558 30.300 -0.027 0.000 1.206 381 R HN 0.343 nan 8.270 nan 0.000 0.474 382 T N 1.631 116.153 114.554 -0.054 0.000 2.840 382 T HA 0.419 4.770 4.350 0.001 0.000 0.287 382 T C -0.605 174.049 174.700 -0.077 0.000 0.991 382 T CA -0.649 61.407 62.100 -0.074 0.000 0.964 382 T CB 1.431 70.253 68.868 -0.076 0.000 0.954 382 T HN 0.519 nan 8.240 nan 0.000 0.438 383 V N 1.647 121.499 119.914 -0.104 0.000 2.735 383 V HA 0.789 4.910 4.120 0.001 0.000 0.310 383 V C -2.812 173.194 176.094 -0.146 0.000 1.061 383 V CA -3.245 58.994 62.300 -0.102 0.000 0.913 383 V CB 1.760 33.533 31.823 -0.084 0.000 1.005 383 V HN 0.542 nan 8.190 nan 0.000 0.428 384 P HA 0.145 nan 4.420 nan 0.000 0.271 384 P C -0.154 177.058 177.300 -0.146 0.000 1.226 384 P CA -0.124 62.910 63.100 -0.111 0.000 0.765 384 P CB 0.701 32.369 31.700 -0.054 0.000 0.835 385 M N 4.195 123.668 119.600 -0.211 0.000 2.260 385 M HA 0.045 4.525 4.480 0.001 0.000 0.348 385 M C -0.090 176.194 176.300 -0.027 0.000 1.342 385 M CA 1.099 56.259 55.300 -0.233 0.000 1.040 385 M CB -0.052 32.421 32.600 -0.212 0.000 1.810 385 M HN 0.416 nan 8.290 nan 0.000 0.453 386 D N 2.808 123.231 120.400 0.038 0.000 2.752 386 D HA 0.117 4.757 4.640 0.001 0.000 0.313 386 D C 0.589 177.014 176.300 0.209 0.000 1.225 386 D CA -0.303 53.786 54.000 0.147 0.000 0.976 386 D CB 0.016 40.898 40.800 0.136 0.000 1.443 386 D HN 0.753 nan 8.370 nan 0.000 0.515 387 H N -1.173 117.983 119.070 0.143 0.000 2.518 387 H HA -0.069 4.487 4.556 0.001 0.000 0.289 387 H C 1.137 176.562 175.328 0.162 0.000 1.051 387 H CA 2.002 58.157 56.048 0.178 0.000 1.280 387 H CB -0.882 28.962 29.762 0.137 0.000 1.380 387 H HN 0.490 nan 8.280 nan 0.000 0.566 388 T N -2.882 111.406 114.554 -0.443 0.000 3.067 388 T HA -0.079 4.272 4.350 0.001 0.000 0.261 388 T C 1.786 176.397 174.700 -0.148 0.000 1.110 388 T CA 0.102 61.991 62.100 -0.352 0.000 1.113 388 T CB -0.886 67.782 68.868 -0.334 0.000 0.917 388 T HN 0.221 nan 8.240 nan 0.000 0.499 389 F N 1.948 121.734 119.950 -0.273 0.000 2.250 389 F HA 0.242 4.770 4.527 0.001 0.000 0.301 389 F C -0.063 175.390 175.800 -0.578 0.000 1.077 389 F CA -0.144 57.592 58.000 -0.441 0.000 1.348 389 F CB -0.243 38.406 39.000 -0.585 0.000 1.040 389 F HN 0.163 nan 8.300 nan 0.000 0.509 390 F N 1.728 121.644 119.950 -0.055 0.000 2.363 390 F HA 0.327 4.855 4.527 0.001 0.000 0.366 390 F C -1.556 174.208 175.800 -0.059 0.000 1.083 390 F CA -2.071 55.873 58.000 -0.094 0.000 1.176 390 F CB 0.381 39.402 39.000 0.035 0.000 1.432 390 F HN -0.202 nan 8.300 nan 0.000 0.482 391 P HA -0.047 nan 4.420 nan 0.000 0.219 391 P C 0.074 177.411 177.300 0.063 0.000 1.150 391 P CA 0.953 64.059 63.100 0.010 0.000 0.814 391 P CB 0.504 32.176 31.700 -0.045 0.000 0.787 392 S N -3.133 112.617 115.700 0.083 0.000 2.636 392 S HA 0.218 4.689 4.470 0.001 0.000 0.266 392 S C -1.152 173.530 174.600 0.136 0.000 1.147 392 S CA -1.011 57.256 58.200 0.112 0.000 0.815 392 S CB 0.049 63.303 63.200 0.089 0.000 1.119 392 S HN -0.050 nan 8.310 nan 0.000 0.470 393 Y N 3.249 123.570 120.300 0.036 0.000 2.847 393 Y HA 0.079 4.629 4.550 0.001 0.000 0.370 393 Y C 1.463 177.385 175.900 0.035 0.000 1.335 393 Y CA 1.485 59.602 58.100 0.030 0.000 1.693 393 Y CB -0.459 38.015 38.460 0.023 0.000 1.209 393 Y HN 0.840 nan 8.280 nan 0.000 0.517 394 R N 1.726 121.958 120.500 -0.447 0.000 3.989 394 R HA -0.238 4.102 4.340 0.001 0.000 0.377 394 R C -0.403 175.816 176.300 -0.135 0.000 1.158 394 R CA 1.167 57.032 56.100 -0.392 0.000 1.035 394 R CB -1.364 28.567 30.300 -0.615 0.000 1.557 394 R HN 0.563 nan 8.270 nan 0.000 0.551 395 K N 1.070 121.441 120.400 -0.049 0.000 2.166 395 K HA 0.479 4.800 4.320 0.001 0.000 0.245 395 K C 0.579 177.139 176.600 -0.067 0.000 0.967 395 K CA -0.135 56.124 56.287 -0.046 0.000 0.863 395 K CB 2.020 34.495 32.500 -0.040 0.000 1.107 395 K HN 0.143 nan 8.250 nan 0.000 0.436 396 T N -2.455 111.962 114.554 -0.228 0.000 2.883 396 T HA 0.370 4.721 4.350 0.001 0.000 0.296 396 T C 0.363 174.712 174.700 -0.585 0.000 1.117 396 T CA -0.930 60.788 62.100 -0.637 0.000 1.006 396 T CB 0.619 69.039 68.868 -0.746 0.000 1.191 396 T HN 0.388 nan 8.240 nan 0.000 0.508 397 L N 1.539 122.257 121.223 -0.842 0.000 2.912 397 L HA 0.274 4.615 4.340 0.001 0.000 0.246 397 L C -0.234 176.511 176.870 -0.209 0.000 1.371 397 L CA -0.197 54.406 54.840 -0.395 0.000 1.196 397 L CB -0.707 41.192 42.059 -0.268 0.000 1.596 397 L HN 0.376 nan 8.230 nan 0.000 0.429 398 L N 0.180 121.292 121.223 -0.184 0.000 2.322 398 L HA 0.518 4.858 4.340 0.001 0.000 0.279 398 L C 0.815 177.646 176.870 -0.065 0.000 1.036 398 L CA -0.055 54.749 54.840 -0.060 0.000 0.807 398 L CB 1.810 43.849 42.059 -0.033 0.000 1.226 398 L HN 0.175 nan 8.230 nan 0.000 0.433 399 G N 2.371 111.147 108.800 -0.040 0.000 2.504 399 G HA2 0.358 4.319 3.960 0.001 0.000 0.288 399 G HA3 0.358 4.319 3.960 0.001 0.000 0.288 399 G C -1.900 172.980 174.900 -0.033 0.000 1.182 399 G CA -0.977 44.100 45.100 -0.038 0.000 0.894 399 G HN 0.460 nan 8.290 nan 0.000 0.521 400 P HA -0.114 nan 4.420 nan 0.000 0.217 400 P C 1.321 178.605 177.300 -0.025 0.000 1.151 400 P CA 1.236 64.321 63.100 -0.025 0.000 0.849 400 P CB 0.363 32.052 31.700 -0.019 0.000 0.787 401 E N -1.153 119.032 120.200 -0.026 0.000 2.478 401 E HA 0.005 4.356 4.350 0.001 0.000 0.194 401 E C 0.231 176.815 176.600 -0.027 0.000 1.045 401 E CA 0.171 56.555 56.400 -0.026 0.000 0.868 401 E CB -0.015 29.670 29.700 -0.026 0.000 0.885 401 E HN 0.395 nan 8.360 nan 0.000 0.505 402 E N 0.462 120.646 120.200 -0.026 0.000 2.249 402 E HA 0.318 4.668 4.350 0.001 0.000 0.280 402 E C -0.488 176.098 176.600 -0.024 0.000 1.016 402 E CA -0.598 55.789 56.400 -0.022 0.000 0.830 402 E CB 1.442 31.132 29.700 -0.016 0.000 1.081 402 E HN 0.087 nan 8.360 nan 0.000 0.395 403 I N -0.401 120.155 120.570 -0.024 0.000 2.648 403 I HA 0.357 4.527 4.170 0.001 0.000 0.304 403 I C -0.819 175.287 176.117 -0.019 0.000 1.009 403 I CA -1.224 60.060 61.300 -0.026 0.000 1.114 403 I CB 0.884 38.862 38.000 -0.037 0.000 1.293 403 I HN 0.296 nan 8.210 nan 0.000 0.449 404 L N 4.784 125.999 121.223 -0.013 0.000 2.369 404 L HA 0.272 4.613 4.340 0.001 0.000 0.279 404 L C 0.446 177.293 176.870 -0.037 0.000 1.108 404 L CA 0.101 54.928 54.840 -0.021 0.000 0.852 404 L CB 0.857 42.912 42.059 -0.006 0.000 1.169 404 L HN 0.861 nan 8.230 nan 0.000 0.452 405 L N 3.948 125.143 121.223 -0.047 0.000 2.145 405 L HA 0.350 4.690 4.340 0.001 0.000 0.201 405 L C 0.586 177.421 176.870 -0.057 0.000 1.075 405 L CA 1.412 56.223 54.840 -0.048 0.000 0.773 405 L CB -0.125 41.904 42.059 -0.049 0.000 0.936 405 L HN 0.859 nan 8.230 nan 0.000 0.451 406 S N -1.841 113.812 115.700 -0.078 0.000 2.567 406 S HA 0.613 5.084 4.470 0.001 0.000 0.270 406 S C -1.046 173.476 174.600 -0.129 0.000 1.152 406 S CA -0.820 57.326 58.200 -0.090 0.000 0.835 406 S CB 1.134 64.279 63.200 -0.092 0.000 1.115 406 S HN -0.036 nan 8.310 nan 0.000 0.459 407 I N 1.044 121.532 120.570 -0.137 0.000 2.533 407 I HA 0.480 4.651 4.170 0.001 0.000 0.290 407 I C -0.562 175.446 176.117 -0.181 0.000 1.056 407 I CA -0.137 61.035 61.300 -0.213 0.000 1.057 407 I CB 2.151 39.964 38.000 -0.312 0.000 1.240 407 I HN 0.848 nan 8.210 nan 0.000 0.423 408 E N 6.592 126.665 120.200 -0.212 0.000 2.092 408 E HA 0.498 4.849 4.350 0.001 0.000 0.271 408 E C -1.064 175.437 176.600 -0.165 0.000 0.919 408 E CA -0.518 55.768 56.400 -0.190 0.000 0.760 408 E CB 0.970 30.561 29.700 -0.183 0.000 1.106 408 E HN 0.461 nan 8.360 nan 0.000 0.408 409 I N 7.411 127.931 120.570 -0.083 0.000 2.342 409 I HA 0.251 4.421 4.170 0.001 0.000 0.291 409 I C -1.958 174.171 176.117 0.021 0.000 1.010 409 I CA -2.081 59.234 61.300 0.026 0.000 1.308 409 I CB 1.046 39.168 38.000 0.204 0.000 1.400 409 I HN 0.357 nan 8.210 nan 0.000 0.488 410 P HA 0.107 nan 4.420 nan 0.000 0.277 410 P C -1.009 176.036 177.300 -0.426 0.000 1.240 410 P CA -0.247 62.718 63.100 -0.225 0.000 0.798 410 P CB 0.475 32.076 31.700 -0.164 0.000 0.979 411 Y N -0.110 120.006 120.300 -0.308 0.000 2.702 411 Y HA 0.008 4.559 4.550 0.001 0.000 0.336 411 Y C 1.894 177.580 175.900 -0.356 0.000 1.235 411 Y CA 0.105 57.939 58.100 -0.444 0.000 1.492 411 Y CB 0.289 38.611 38.460 -0.229 0.000 1.308 411 Y HN 0.310 nan 8.280 nan 0.000 0.589 412 S N 2.918 118.498 115.700 -0.199 0.000 2.565 412 S HA 0.358 4.828 4.470 0.001 0.000 0.276 412 S C -0.025 174.489 174.600 -0.144 0.000 1.326 412 S CA -0.668 57.421 58.200 -0.185 0.000 1.045 412 S CB 0.392 63.473 63.200 -0.199 0.000 0.918 412 S HN 0.568 nan 8.310 nan 0.000 0.505 413 R N 1.373 121.781 120.500 -0.154 0.000 2.700 413 R HA 0.401 4.742 4.340 0.001 0.000 0.253 413 R C -0.256 175.931 176.300 -0.188 0.000 1.091 413 R CA -0.985 55.032 56.100 -0.138 0.000 1.104 413 R CB 0.385 30.621 30.300 -0.108 0.000 1.202 413 R HN 0.588 nan 8.270 nan 0.000 0.532 414 E N 1.771 121.884 120.200 -0.145 0.000 2.415 414 E HA -0.063 4.288 4.350 0.001 0.000 0.262 414 E C -0.305 176.186 176.600 -0.182 0.000 1.038 414 E CA 0.636 56.947 56.400 -0.147 0.000 0.921 414 E CB 0.237 29.889 29.700 -0.079 0.000 0.950 414 E HN 0.558 nan 8.360 nan 0.000 0.438 415 D N 0.727 120.988 120.400 -0.230 0.000 3.076 415 D HA -0.215 4.426 4.640 0.001 0.000 0.218 415 D C 0.020 176.100 176.300 -0.367 0.000 1.156 415 D CA 1.167 55.068 54.000 -0.166 0.000 0.921 415 D CB -0.799 40.013 40.800 0.019 0.000 1.113 415 D HN 0.558 nan 8.370 nan 0.000 0.418 416 E N -0.321 119.454 120.200 -0.708 0.000 2.199 416 E HA 0.536 4.887 4.350 0.001 0.000 0.265 416 E C -0.983 175.156 176.600 -0.769 0.000 0.882 416 E CA -0.520 55.552 56.400 -0.546 0.000 0.759 416 E CB 1.093 30.629 29.700 -0.274 0.000 1.148 416 E HN -0.094 nan 8.360 nan 0.000 0.412 417 F N 3.254 123.236 119.950 0.054 0.000 2.593 417 F HA 0.614 5.142 4.527 0.001 0.000 0.320 417 F C -0.735 175.242 175.800 0.295 0.000 1.060 417 F CA -0.978 57.090 58.000 0.113 0.000 0.940 417 F CB 1.627 40.628 39.000 0.001 0.000 1.268 417 F HN 0.386 nan 8.300 nan 0.000 0.475 418 F N 0.636 120.781 119.950 0.326 0.000 2.588 418 F HA 0.652 5.180 4.527 0.001 0.000 0.314 418 F C -0.884 175.011 175.800 0.158 0.000 1.134 418 F CA -0.323 57.803 58.000 0.209 0.000 0.961 418 F CB 1.796 40.822 39.000 0.042 0.000 1.239 418 F HN 0.380 nan 8.300 nan 0.000 0.448 419 S N 3.042 118.505 115.700 -0.394 0.000 2.568 419 S HA 0.949 5.420 4.470 0.001 0.000 0.293 419 S C -1.173 172.871 174.600 -0.927 0.000 1.089 419 S CA -0.710 57.183 58.200 -0.511 0.000 0.945 419 S CB 1.862 64.813 63.200 -0.414 0.000 1.077 419 S HN 0.844 nan 8.310 nan 0.000 0.485 420 A N 1.737 124.069 122.820 -0.814 0.000 2.393 420 A HA 0.885 5.206 4.320 0.001 0.000 0.306 420 A C -1.476 175.528 177.584 -0.967 0.000 1.050 420 A CA -0.577 51.028 52.037 -0.720 0.000 0.724 420 A CB 0.598 19.448 19.000 -0.250 0.000 1.248 420 A HN 0.644 nan 8.150 nan 0.000 0.424 421 F N 0.887 120.558 119.950 -0.466 0.000 2.565 421 F HA 0.641 5.169 4.527 0.001 0.000 0.313 421 F C 0.138 175.567 175.800 -0.619 0.000 1.091 421 F CA -0.587 56.999 58.000 -0.690 0.000 0.915 421 F CB 2.634 40.703 39.000 -1.551 0.000 1.208 421 F HN 0.576 nan 8.300 nan 0.000 0.453 422 K N 2.514 122.838 120.400 -0.126 0.000 2.471 422 K HA 0.526 4.847 4.320 0.001 0.000 0.252 422 K C -1.632 175.065 176.600 0.162 0.000 0.938 422 K CA -0.722 55.585 56.287 0.034 0.000 0.796 422 K CB 1.919 34.456 32.500 0.062 0.000 1.161 422 K HN 0.585 nan 8.250 nan 0.000 0.425 423 Q N 3.122 123.120 119.800 0.330 0.000 2.333 423 Q HA 0.651 4.991 4.340 0.001 0.000 0.267 423 Q C -1.564 174.490 176.000 0.089 0.000 1.012 423 Q CA -0.320 55.607 55.803 0.207 0.000 0.824 423 Q CB 2.037 30.895 28.738 0.199 0.000 1.290 423 Q HN 0.786 nan 8.270 nan 0.000 0.449 424 A N 1.972 124.824 122.820 0.053 0.000 3.509 424 A HA 0.651 4.972 4.320 0.001 0.000 0.188 424 A C 0.422 178.066 177.584 0.100 0.000 1.116 424 A CA 0.081 52.150 52.037 0.053 0.000 0.859 424 A CB 0.431 19.430 19.000 -0.002 0.000 1.471 424 A HN 0.695 nan 8.150 nan 0.000 0.606 425 S N -0.928 114.806 115.700 0.057 0.000 2.439 425 S HA 0.175 4.646 4.470 0.001 0.000 0.224 425 S C 0.890 175.479 174.600 -0.017 0.000 1.029 425 S CA 0.629 58.856 58.200 0.044 0.000 0.946 425 S CB -0.042 63.178 63.200 0.034 0.000 0.797 425 S HN 0.547 nan 8.310 nan 0.000 0.504 426 R N 0.241 120.707 120.500 -0.056 0.000 2.698 426 R HA 0.414 4.755 4.340 0.001 0.000 0.275 426 R C 0.555 176.760 176.300 -0.157 0.000 1.001 426 R CA -0.701 55.334 56.100 -0.108 0.000 0.896 426 R CB 0.996 31.232 30.300 -0.106 0.000 1.218 426 R HN -0.020 nan 8.270 nan 0.000 0.462 427 R N 1.039 121.378 120.500 -0.268 0.000 2.090 427 R HA -0.017 4.324 4.340 0.001 0.000 0.228 427 R C -0.469 175.663 176.300 -0.280 0.000 1.110 427 R CA 1.284 57.085 56.100 -0.499 0.000 0.973 427 R CB 0.220 30.033 30.300 -0.812 0.000 0.869 427 R HN 0.536 nan 8.270 nan 0.000 0.440 428 E N 0.802 120.952 120.200 -0.083 0.000 2.266 428 E HA 0.057 4.408 4.350 0.001 0.000 0.277 428 E C -0.696 175.958 176.600 0.089 0.000 1.018 428 E CA -0.304 56.173 56.400 0.129 0.000 0.840 428 E CB 1.066 30.841 29.700 0.125 0.000 1.082 428 E HN 0.068 nan 8.360 nan 0.000 0.395 429 D N 1.752 122.235 120.400 0.137 0.000 2.810 429 D HA -0.224 4.416 4.640 0.001 0.000 0.224 429 D C -1.100 175.216 176.300 0.026 0.000 1.222 429 D CA 0.913 54.964 54.000 0.084 0.000 0.698 429 D CB -0.605 40.250 40.800 0.092 0.000 0.961 429 D HN 0.375 nan 8.370 nan 0.000 0.403 430 D N -0.169 120.234 120.400 0.005 0.000 2.523 430 D HA 0.498 5.138 4.640 0.001 0.000 0.236 430 D C -0.062 176.205 176.300 -0.055 0.000 1.094 430 D CA -0.698 53.287 54.000 -0.026 0.000 0.942 430 D CB 1.148 41.930 40.800 -0.030 0.000 1.447 430 D HN 0.149 nan 8.370 nan 0.000 0.479 431 I N 1.628 122.168 120.570 -0.050 0.000 2.325 431 I HA 0.356 4.527 4.170 0.001 0.000 0.291 431 I C 0.555 176.651 176.117 -0.035 0.000 1.019 431 I CA -0.691 60.572 61.300 -0.063 0.000 1.302 431 I CB 1.290 39.262 38.000 -0.046 0.000 1.401 431 I HN 0.412 nan 8.210 nan 0.000 0.485 432 A N 6.456 129.251 122.820 -0.042 0.000 2.567 432 A HA 0.007 4.328 4.320 0.001 0.000 0.240 432 A C 1.071 178.657 177.584 0.003 0.000 1.053 432 A CA 0.129 52.163 52.037 -0.006 0.000 0.755 432 A CB 0.188 19.188 19.000 0.000 0.000 0.978 432 A HN 0.801 nan 8.150 nan 0.000 0.507 433 K N 1.358 121.765 120.400 0.011 0.000 1.973 433 K HA 0.104 4.425 4.320 0.001 0.000 0.210 433 K C 0.252 176.828 176.600 -0.040 0.000 1.045 433 K CA 1.467 57.739 56.287 -0.026 0.000 0.937 433 K CB -0.075 32.385 32.500 -0.067 0.000 0.721 433 K HN 0.511 nan 8.250 nan 0.000 0.438 434 V N -0.308 119.600 119.914 -0.011 0.000 2.735 434 V HA 0.439 4.559 4.120 0.001 0.000 0.310 434 V C -0.612 175.666 176.094 0.307 0.000 1.061 434 V CA -0.827 61.544 62.300 0.118 0.000 0.913 434 V CB 1.934 33.770 31.823 0.021 0.000 1.005 434 V HN 0.235 nan 8.190 nan 0.000 0.428 435 T N 3.047 117.758 114.554 0.263 0.000 2.933 435 T HA 0.709 5.060 4.350 0.001 0.000 0.305 435 T C -1.055 173.680 174.700 0.058 0.000 1.092 435 T CA -0.225 61.952 62.100 0.128 0.000 1.008 435 T CB 1.148 70.040 68.868 0.041 0.000 1.102 435 T HN 1.282 nan 8.240 nan 0.000 0.469 436 C N 1.437 120.667 119.300 -0.117 0.000 3.285 436 C HA 1.018 5.479 4.460 0.001 0.000 0.325 436 C C -0.008 174.778 174.990 -0.341 0.000 1.304 436 C CA -0.465 58.392 59.018 -0.270 0.000 1.319 436 C CB 0.924 28.404 27.740 -0.432 0.000 1.640 436 C HN 1.195 nan 8.230 nan 0.000 0.477 437 G N 1.735 110.302 108.800 -0.389 0.000 2.590 437 G HA2 0.713 4.673 3.960 0.001 0.000 0.310 437 G HA3 0.713 4.673 3.960 0.001 0.000 0.310 437 G C -1.172 173.318 174.900 -0.684 0.000 1.347 437 G CA -0.663 44.162 45.100 -0.458 0.000 0.963 437 G HN 0.882 nan 8.290 nan 0.000 0.494 438 M N 2.163 121.058 119.600 -1.175 0.000 2.263 438 M HA 0.490 4.971 4.480 0.001 0.000 0.295 438 M C -0.431 175.140 176.300 -1.216 0.000 1.028 438 M CA -0.689 53.885 55.300 -1.209 0.000 0.921 438 M CB 3.223 34.823 32.600 -1.667 0.000 1.601 438 M HN 0.464 nan 8.290 nan 0.000 0.440 439 R N 2.046 122.281 120.500 -0.442 0.000 2.621 439 R HA 0.829 5.170 4.340 0.001 0.000 0.292 439 R C -2.014 174.422 176.300 0.228 0.000 0.969 439 R CA -0.608 55.536 56.100 0.073 0.000 0.887 439 R CB 2.478 32.930 30.300 0.253 0.000 1.180 439 R HN 0.639 nan 8.270 nan 0.000 0.450 440 V N 5.534 125.602 119.914 0.257 0.000 2.823 440 V HA 0.645 4.765 4.120 0.001 0.000 0.312 440 V C -1.699 174.228 176.094 -0.278 0.000 1.072 440 V CA -0.891 61.353 62.300 -0.093 0.000 0.937 440 V CB 1.962 33.522 31.823 -0.438 0.000 1.013 440 V HN 0.697 nan 8.190 nan 0.000 0.430 441 L N 6.232 127.233 121.223 -0.369 0.000 2.409 441 L HA 0.685 5.026 4.340 0.001 0.000 0.272 441 L C -1.327 175.325 176.870 -0.364 0.000 0.980 441 L CA -0.009 54.656 54.840 -0.292 0.000 0.826 441 L CB 1.608 43.586 42.059 -0.135 0.000 1.268 441 L HN 0.585 nan 8.230 nan 0.000 0.407 442 F N 2.735 122.653 119.950 -0.055 0.000 2.432 442 F HA 0.507 5.035 4.527 0.001 0.000 0.329 442 F C 0.701 176.480 175.800 -0.034 0.000 1.076 442 F CA -0.655 57.323 58.000 -0.037 0.000 1.018 442 F CB 1.045 40.033 39.000 -0.020 0.000 1.201 442 F HN 0.412 nan 8.300 nan 0.000 0.489 443 Q N 1.943 121.847 119.800 0.174 0.000 2.428 443 Q HA 0.079 4.419 4.340 0.001 0.000 0.276 443 Q C -2.297 173.763 176.000 0.101 0.000 1.059 443 Q CA -1.443 54.417 55.803 0.094 0.000 0.923 443 Q CB -0.124 28.655 28.738 0.069 0.000 1.283 443 Q HN 0.206 nan 8.270 nan 0.000 0.447 444 P HA -0.051 nan 4.420 nan 0.000 0.264 444 P C 0.378 177.707 177.300 0.049 0.000 1.183 444 P CA 0.792 63.920 63.100 0.046 0.000 0.763 444 P CB 0.258 31.974 31.700 0.027 0.000 0.807 445 G N 2.026 110.850 108.800 0.039 0.000 2.439 445 G HA2 -0.259 3.702 3.960 0.001 0.000 0.305 445 G HA3 -0.259 3.702 3.960 0.001 0.000 0.305 445 G C 0.346 175.262 174.900 0.026 0.000 0.966 445 G CA 0.827 45.944 45.100 0.029 0.000 0.890 445 G HN 0.769 nan 8.290 nan 0.000 0.513 446 S N -2.017 113.705 115.700 0.037 0.000 2.751 446 S HA 0.776 5.247 4.470 0.001 0.000 0.310 446 S C 0.717 175.247 174.600 -0.116 0.000 1.128 446 S CA -0.713 57.513 58.200 0.043 0.000 0.931 446 S CB 1.602 64.884 63.200 0.136 0.000 1.177 446 S HN 0.104 nan 8.310 nan 0.000 0.530 447 M N 0.524 120.109 119.600 -0.024 0.000 2.560 447 M HA 0.286 4.766 4.480 0.001 0.000 0.297 447 M C 0.290 176.700 176.300 0.183 0.000 1.201 447 M CA 0.030 55.219 55.300 -0.185 0.000 0.973 447 M CB 0.201 32.843 32.600 0.070 0.000 1.401 447 M HN 0.687 nan 8.290 nan 0.000 0.497 448 Q N 1.697 121.562 119.800 0.110 0.000 2.331 448 Q HA 0.322 4.663 4.340 0.001 0.000 0.257 448 Q C -0.812 175.280 176.000 0.154 0.000 0.957 448 Q CA -0.395 55.215 55.803 -0.323 0.000 0.923 448 Q CB 1.520 29.867 28.738 -0.653 0.000 1.212 448 Q HN 0.090 nan 8.270 nan 0.000 0.443 449 V N 5.797 125.797 119.914 0.143 0.000 2.450 449 V HA -0.068 4.053 4.120 0.001 0.000 0.281 449 V C 1.160 177.248 176.094 -0.009 0.000 1.019 449 V CA 0.691 63.037 62.300 0.076 0.000 1.062 449 V CB 0.769 32.692 31.823 0.166 0.000 0.979 449 V HN 0.851 nan 8.190 nan 0.000 0.477 450 K N 4.088 124.460 120.400 -0.047 0.000 2.078 450 K HA 0.137 4.458 4.320 0.001 0.000 0.203 450 K C 0.523 177.104 176.600 -0.032 0.000 1.043 450 K CA 0.686 56.954 56.287 -0.030 0.000 0.960 450 K CB 0.397 32.884 32.500 -0.021 0.000 0.761 450 K HN 0.770 nan 8.250 nan 0.000 0.448 451 E N 0.242 120.404 120.200 -0.063 0.000 2.256 451 E HA 0.401 4.752 4.350 0.001 0.000 0.267 451 E C -1.799 174.789 176.600 -0.019 0.000 0.892 451 E CA -0.805 55.577 56.400 -0.029 0.000 0.775 451 E CB 2.331 32.018 29.700 -0.022 0.000 1.207 451 E HN 0.013 nan 8.360 nan 0.000 0.420 452 L N 1.557 122.807 121.223 0.044 0.000 2.493 452 L HA 0.727 5.068 4.340 0.001 0.000 0.265 452 L C -1.957 174.969 176.870 0.093 0.000 0.954 452 L CA -0.321 54.588 54.840 0.116 0.000 0.844 452 L CB 1.996 44.180 42.059 0.209 0.000 1.302 452 L HN 0.617 nan 8.230 nan 0.000 0.405 453 A N 5.989 128.859 122.820 0.083 0.000 2.385 453 A HA 0.756 5.077 4.320 0.001 0.000 0.290 453 A C -1.647 175.917 177.584 -0.033 0.000 1.094 453 A CA -0.351 51.708 52.037 0.037 0.000 0.729 453 A CB 0.833 19.861 19.000 0.048 0.000 1.194 453 A HN 0.617 nan 8.150 nan 0.000 0.442 454 L N 2.459 123.670 121.223 -0.020 0.000 2.324 454 L HA 0.397 4.738 4.340 0.001 0.000 0.274 454 L C -0.942 175.861 176.870 -0.111 0.000 1.012 454 L CA -0.395 54.382 54.840 -0.105 0.000 0.859 454 L CB 1.098 43.195 42.059 0.063 0.000 1.224 454 L HN 0.658 nan 8.230 nan 0.000 0.429 455 C N 2.621 121.763 119.300 -0.263 0.000 2.345 455 C HA 0.639 5.100 4.460 0.001 0.000 0.323 455 C C -0.403 174.451 174.990 -0.227 0.000 1.276 455 C CA -0.794 58.162 59.018 -0.105 0.000 1.543 455 C CB 0.563 28.295 27.740 -0.012 0.000 2.211 455 C HN 0.511 nan 8.230 nan 0.000 0.493 456 Y N 0.923 121.241 120.300 0.030 0.000 2.425 456 Y HA 0.612 5.163 4.550 0.001 0.000 0.344 456 Y C 0.725 176.630 175.900 0.008 0.000 0.969 456 Y CA -0.155 57.963 58.100 0.029 0.000 1.052 456 Y CB 1.667 40.152 38.460 0.040 0.000 1.215 456 Y HN 0.831 nan 8.280 nan 0.000 0.451 457 G N -0.065 108.824 108.800 0.149 0.000 2.462 457 G HA2 0.449 4.410 3.960 0.001 0.000 0.319 457 G HA3 0.449 4.410 3.960 0.001 0.000 0.319 457 G C 0.701 175.654 174.900 0.089 0.000 1.171 457 G CA -0.379 44.766 45.100 0.074 0.000 0.920 457 G HN 1.266 nan 8.290 nan 0.000 0.499 458 G N -0.217 108.605 108.800 0.037 0.000 2.168 458 G HA2 -0.250 3.711 3.960 0.001 0.000 0.263 458 G HA3 -0.250 3.711 3.960 0.001 0.000 0.263 458 G C 0.944 175.841 174.900 -0.006 0.000 0.977 458 G CA 0.867 45.975 45.100 0.014 0.000 0.659 458 G HN 0.495 nan 8.290 nan 0.000 0.533 459 M N -0.291 119.311 119.600 0.004 0.000 2.346 459 M HA 0.650 5.130 4.480 0.001 0.000 0.280 459 M C 0.840 177.125 176.300 -0.025 0.000 1.075 459 M CA 0.736 56.011 55.300 -0.041 0.000 0.989 459 M CB -0.072 32.468 32.600 -0.099 0.000 1.447 459 M HN 1.195 nan 8.290 nan 0.000 0.511 460 A N 0.529 123.351 122.820 0.003 0.000 2.438 460 A HA 0.440 4.761 4.320 0.001 0.000 0.301 460 A C -0.790 176.819 177.584 0.042 0.000 1.101 460 A CA -0.348 51.699 52.037 0.016 0.000 0.621 460 A CB 0.005 19.025 19.000 0.033 0.000 1.350 460 A HN 0.246 nan 8.150 nan 0.000 0.496 461 D N -0.031 120.409 120.400 0.067 0.000 2.323 461 D HA 0.190 4.831 4.640 0.001 0.000 0.239 461 D C 0.492 176.914 176.300 0.204 0.000 1.129 461 D CA 0.423 54.516 54.000 0.156 0.000 0.865 461 D CB -0.246 40.631 40.800 0.128 0.000 0.913 461 D HN 0.735 nan 8.370 nan 0.000 0.517 462 R N -2.849 117.709 120.500 0.095 0.000 2.733 462 R HA 0.455 4.796 4.340 0.001 0.000 0.272 462 R C -1.224 175.062 176.300 -0.023 0.000 1.029 462 R CA -0.878 55.234 56.100 0.020 0.000 0.888 462 R CB -0.148 30.203 30.300 0.085 0.000 1.251 462 R HN -0.209 nan 8.270 nan 0.000 0.464 463 T N 2.477 116.936 114.554 -0.158 0.000 2.834 463 T HA 0.373 4.724 4.350 0.001 0.000 0.298 463 T C 0.445 175.202 174.700 0.095 0.000 0.966 463 T CA -0.201 61.850 62.100 -0.083 0.000 1.141 463 T CB -0.103 68.615 68.868 -0.249 0.000 0.905 463 T HN 0.428 nan 8.240 nan 0.000 0.535 464 I N -0.484 120.168 120.570 0.136 0.000 2.785 464 I HA 0.808 4.979 4.170 0.001 0.000 0.302 464 I C -0.197 176.039 176.117 0.200 0.000 1.069 464 I CA -0.994 60.413 61.300 0.179 0.000 1.045 464 I CB 2.354 40.437 38.000 0.139 0.000 1.236 464 I HN 0.431 nan 8.210 nan 0.000 0.429 465 S N 2.751 118.561 115.700 0.184 0.000 2.475 465 S HA 0.709 5.180 4.470 0.001 0.000 0.298 465 S C 0.194 174.855 174.600 0.101 0.000 1.119 465 S CA -0.508 57.776 58.200 0.140 0.000 1.085 465 S CB 1.438 64.696 63.200 0.097 0.000 1.028 465 S HN 0.903 nan 8.310 nan 0.000 0.489 466 A N 5.879 128.774 122.820 0.126 0.000 3.077 466 A HA 0.322 4.643 4.320 0.001 0.000 0.255 466 A C 1.158 178.751 177.584 0.014 0.000 1.728 466 A CA -0.260 51.820 52.037 0.071 0.000 1.383 466 A CB -0.975 18.086 19.000 0.102 0.000 1.097 466 A HN 0.933 nan 8.150 nan 0.000 0.634 467 L N -0.393 120.813 121.223 -0.027 0.000 2.131 467 L HA -0.183 4.158 4.340 0.001 0.000 0.210 467 L C 2.436 179.282 176.870 -0.040 0.000 1.092 467 L CA 1.229 56.031 54.840 -0.063 0.000 0.759 467 L CB -0.350 41.615 42.059 -0.156 0.000 0.903 467 L HN 0.482 nan 8.230 nan 0.000 0.435 468 K N -0.501 119.880 120.400 -0.031 0.000 2.103 468 K HA -0.074 4.247 4.320 0.001 0.000 0.204 468 K C 2.144 178.730 176.600 -0.024 0.000 1.052 468 K CA 1.549 57.821 56.287 -0.024 0.000 0.945 468 K CB -0.232 32.257 32.500 -0.019 0.000 0.722 468 K HN 0.268 nan 8.250 nan 0.000 0.443 469 T N 0.859 115.395 114.554 -0.030 0.000 2.777 469 T HA -0.118 4.233 4.350 0.001 0.000 0.266 469 T C 2.108 176.785 174.700 -0.038 0.000 1.040 469 T CA 2.022 64.093 62.100 -0.048 0.000 1.141 469 T CB -0.278 68.545 68.868 -0.075 0.000 0.868 469 T HN 0.487 nan 8.240 nan 0.000 0.444 470 T N 0.308 114.852 114.554 -0.017 0.000 2.942 470 T HA -0.027 4.324 4.350 0.001 0.000 0.265 470 T C 1.939 176.652 174.700 0.022 0.000 1.062 470 T CA 0.419 62.526 62.100 0.012 0.000 1.139 470 T CB -0.205 68.684 68.868 0.035 0.000 0.883 470 T HN 0.109 nan 8.240 nan 0.000 0.468 471 Q N 1.733 121.537 119.800 0.006 0.000 2.096 471 Q HA -0.047 4.294 4.340 0.001 0.000 0.204 471 Q C 2.221 178.231 176.000 0.016 0.000 0.982 471 Q CA 1.475 57.283 55.803 0.009 0.000 0.850 471 Q CB -0.399 28.338 28.738 -0.002 0.000 0.901 471 Q HN 0.608 nan 8.270 nan 0.000 0.422 472 K N 0.226 120.632 120.400 0.010 0.000 2.360 472 K HA -0.127 4.194 4.320 0.001 0.000 0.201 472 K C 1.705 178.323 176.600 0.031 0.000 1.046 472 K CA 0.777 57.072 56.287 0.014 0.000 0.940 472 K CB 0.236 32.736 32.500 0.001 0.000 0.748 472 K HN 0.163 nan 8.250 nan 0.000 0.465 473 Q N -0.092 119.733 119.800 0.043 0.000 2.317 473 Q HA 0.160 4.501 4.340 0.001 0.000 0.220 473 Q C 0.366 176.418 176.000 0.086 0.000 0.873 473 Q CA 0.091 55.940 55.803 0.076 0.000 0.936 473 Q CB 0.435 29.231 28.738 0.098 0.000 1.105 473 Q HN 0.275 nan 8.270 nan 0.000 0.520 474 L N 1.162 122.421 121.223 0.059 0.000 2.525 474 L HA -0.066 4.275 4.340 0.001 0.000 0.278 474 L C 1.015 177.900 176.870 0.024 0.000 1.218 474 L CA 0.306 55.170 54.840 0.040 0.000 0.878 474 L CB 0.074 42.150 42.059 0.028 0.000 1.127 474 L HN 0.186 nan 8.230 nan 0.000 0.492 475 S N -0.654 115.040 115.700 -0.011 0.000 2.608 475 S HA -0.175 4.296 4.470 0.001 0.000 0.256 475 S C 0.562 175.093 174.600 -0.115 0.000 1.270 475 S CA 1.336 59.499 58.200 -0.061 0.000 1.465 475 S CB -0.740 62.460 63.200 -0.000 0.000 1.833 475 S HN 0.630 nan 8.310 nan 0.000 0.641 476 K N 0.441 120.836 120.400 -0.008 0.000 2.120 476 K HA 0.687 5.007 4.320 0.001 0.000 0.245 476 K C -0.050 176.558 176.600 0.013 0.000 1.024 476 K CA -0.106 56.233 56.287 0.087 0.000 0.906 476 K CB 0.116 32.711 32.500 0.158 0.000 1.051 476 K HN 0.171 nan 8.250 nan 0.000 0.491 477 F N -0.374 119.724 119.950 0.248 0.000 2.470 477 F HA 0.264 4.791 4.527 0.001 0.000 0.329 477 F C 0.295 176.346 175.800 0.419 0.000 1.072 477 F CA -0.601 57.588 58.000 0.315 0.000 0.989 477 F CB 0.940 40.061 39.000 0.202 0.000 1.193 477 F HN 0.335 nan 8.300 nan 0.000 0.481 478 W N 5.492 127.041 121.300 0.415 0.000 2.510 478 W HA 0.132 4.793 4.660 0.001 0.000 0.388 478 W C -0.869 175.859 176.519 0.348 0.000 1.092 478 W CA -0.019 57.558 57.345 0.386 0.000 1.562 478 W CB -0.052 29.568 29.460 0.266 0.000 1.603 478 W HN 0.725 nan 8.180 nan 0.000 0.396 479 N N 0.599 119.494 118.700 0.325 0.000 2.972 479 N HA 0.106 4.847 4.740 0.001 0.000 0.262 479 N C 0.458 176.084 175.510 0.194 0.000 1.478 479 N CA -0.602 52.621 53.050 0.289 0.000 0.841 479 N CB 0.561 39.175 38.487 0.211 0.000 1.512 479 N HN 0.033 nan 8.380 nan 0.000 0.548 480 E N 0.316 120.613 120.200 0.162 0.000 2.114 480 E HA -0.292 4.059 4.350 0.001 0.000 0.199 480 E C 1.354 177.923 176.600 -0.052 0.000 1.008 480 E CA 2.001 58.412 56.400 0.019 0.000 0.810 480 E CB -0.034 29.701 29.700 0.059 0.000 0.739 480 E HN 0.623 nan 8.360 nan 0.000 0.456 481 K N -0.188 120.212 120.400 -0.001 0.000 2.097 481 K HA -0.095 4.226 4.320 0.001 0.000 0.206 481 K C 2.221 178.803 176.600 -0.030 0.000 1.049 481 K CA 1.281 57.563 56.287 -0.007 0.000 0.933 481 K CB -0.392 32.126 32.500 0.028 0.000 0.717 481 K HN 0.302 nan 8.250 nan 0.000 0.442 482 L N 0.423 121.630 121.223 -0.025 0.000 2.046 482 L HA -0.119 4.222 4.340 0.001 0.000 0.208 482 L C 2.124 178.909 176.870 -0.142 0.000 1.077 482 L CA 1.218 56.026 54.840 -0.055 0.000 0.747 482 L CB -0.397 41.644 42.059 -0.029 0.000 0.896 482 L HN 0.308 nan 8.230 nan 0.000 0.432 483 L N -0.101 120.941 121.223 -0.302 0.000 2.012 483 L HA -0.268 4.072 4.340 0.001 0.000 0.210 483 L C 2.460 179.259 176.870 -0.118 0.000 1.073 483 L CA 1.927 56.569 54.840 -0.330 0.000 0.748 483 L CB -0.679 40.848 42.059 -0.886 0.000 0.891 483 L HN 0.374 nan 8.230 nan 0.000 0.431 484 Q N -0.662 119.062 119.800 -0.126 0.000 2.124 484 Q HA -0.206 4.134 4.340 0.001 0.000 0.202 484 Q C 1.849 177.807 176.000 -0.070 0.000 0.977 484 Q CA 1.799 57.551 55.803 -0.085 0.000 0.850 484 Q CB -0.109 28.582 28.738 -0.078 0.000 0.901 484 Q HN 0.576 nan 8.270 nan 0.000 0.429 485 D N -0.592 119.764 120.400 -0.072 0.000 2.123 485 D HA -0.100 4.541 4.640 0.001 0.000 0.200 485 D C 1.909 178.150 176.300 -0.097 0.000 0.976 485 D CA 0.802 54.763 54.000 -0.065 0.000 0.831 485 D CB -0.044 40.729 40.800 -0.045 0.000 0.974 485 D HN 0.033 nan 8.370 nan 0.000 0.469 486 V N 0.520 120.341 119.914 -0.154 0.000 2.343 486 V HA -0.258 3.862 4.120 0.001 0.000 0.247 486 V C 2.675 178.639 176.094 -0.218 0.000 1.051 486 V CA 1.192 63.317 62.300 -0.292 0.000 1.036 486 V CB -0.515 30.889 31.823 -0.698 0.000 0.654 486 V HN 0.283 nan 8.190 nan 0.000 0.451 487 C N 0.313 119.555 119.300 -0.096 0.000 2.413 487 C HA -0.142 4.319 4.460 0.001 0.000 0.277 487 C C 3.139 178.106 174.990 -0.038 0.000 1.228 487 C CA 0.970 59.986 59.018 -0.005 0.000 1.731 487 C CB -1.372 26.422 27.740 0.090 0.000 2.042 487 C HN 0.634 nan 8.230 nan 0.000 0.468 488 A N 0.613 123.403 122.820 -0.050 0.000 1.908 488 A HA -0.011 4.310 4.320 0.001 0.000 0.218 488 A C 2.386 179.936 177.584 -0.058 0.000 1.181 488 A CA 2.239 54.245 52.037 -0.051 0.000 0.627 488 A CB -1.244 17.726 19.000 -0.049 0.000 0.818 488 A HN 0.596 nan 8.150 nan 0.000 0.445 489 G N -0.462 108.294 108.800 -0.073 0.000 2.408 489 G HA2 -0.102 3.858 3.960 0.001 0.000 0.217 489 G HA3 -0.102 3.858 3.960 0.001 0.000 0.217 489 G C 1.543 176.395 174.900 -0.080 0.000 1.150 489 G CA 0.952 46.008 45.100 -0.073 0.000 0.776 489 G HN 0.438 nan 8.290 nan 0.000 0.542 490 L N 0.604 121.768 121.223 -0.098 0.000 2.056 490 L HA -0.006 4.334 4.340 0.001 0.000 0.207 490 L C 3.386 180.194 176.870 -0.105 0.000 1.078 490 L CA 0.935 55.710 54.840 -0.108 0.000 0.749 490 L CB -0.355 41.640 42.059 -0.108 0.000 0.901 490 L HN 0.289 nan 8.230 nan 0.000 0.433 491 A N -0.336 122.437 122.820 -0.078 0.000 1.933 491 A HA -0.261 4.059 4.320 0.001 0.000 0.218 491 A C 2.278 179.826 177.584 -0.060 0.000 1.175 491 A CA 2.008 54.006 52.037 -0.066 0.000 0.628 491 A CB -0.422 18.550 19.000 -0.045 0.000 0.814 491 A HN 0.512 nan 8.150 nan 0.000 0.444 492 E N -0.669 119.498 120.200 -0.055 0.000 2.060 492 E HA -0.161 4.190 4.350 0.001 0.000 0.189 492 E C 2.043 178.614 176.600 -0.048 0.000 0.974 492 E CA 0.979 57.352 56.400 -0.045 0.000 0.808 492 E CB -0.179 29.500 29.700 -0.036 0.000 0.768 492 E HN 0.715 nan 8.360 nan 0.000 0.453 493 E N 0.128 120.294 120.200 -0.056 0.000 2.107 493 E HA -0.072 4.278 4.350 0.001 0.000 0.191 493 E C 0.655 177.218 176.600 -0.063 0.000 0.982 493 E CA 0.466 56.836 56.400 -0.050 0.000 0.809 493 E CB 0.196 29.868 29.700 -0.046 0.000 0.756 493 E HN 0.252 nan 8.360 nan 0.000 0.459 494 L N 2.498 123.661 121.223 -0.099 0.000 2.923 494 L HA 0.242 4.582 4.340 0.001 0.000 0.231 494 L C 0.122 176.924 176.870 -0.112 0.000 1.300 494 L CA -0.744 54.018 54.840 -0.129 0.000 1.184 494 L CB 0.509 42.427 42.059 -0.236 0.000 1.511 494 L HN 0.008 nan 8.230 nan 0.000 0.448 495 S N 0.837 116.493 115.700 -0.075 0.000 2.585 495 S HA 0.667 5.138 4.470 0.001 0.000 0.273 495 S C -0.314 174.253 174.600 -0.056 0.000 1.339 495 S CA -0.520 57.645 58.200 -0.060 0.000 1.028 495 S CB 1.467 64.642 63.200 -0.041 0.000 0.906 495 S HN 0.343 nan 8.310 nan 0.000 0.528 496 L N 2.180 123.373 121.223 -0.050 0.000 2.410 496 L HA 0.471 4.811 4.340 0.001 0.000 0.270 496 L C 0.129 176.980 176.870 -0.031 0.000 0.983 496 L CA -0.802 54.012 54.840 -0.043 0.000 0.822 496 L CB 2.432 44.462 42.059 -0.049 0.000 1.285 496 L HN 0.940 nan 8.230 nan 0.000 0.409 497 S N 1.078 116.762 115.700 -0.027 0.000 2.601 497 S HA 0.357 4.828 4.470 0.001 0.000 0.271 497 S C -2.033 172.556 174.600 -0.019 0.000 1.305 497 S CA -1.241 56.947 58.200 -0.020 0.000 1.022 497 S CB 1.131 64.320 63.200 -0.018 0.000 0.940 497 S HN 0.423 nan 8.310 nan 0.000 0.525 498 P HA -0.128 nan 4.420 nan 0.000 0.222 498 P C 0.728 178.022 177.300 -0.011 0.000 1.142 498 P CA 1.300 64.394 63.100 -0.010 0.000 0.788 498 P CB -0.097 31.599 31.700 -0.005 0.000 0.767 499 D N -1.395 118.997 120.400 -0.013 0.000 2.342 499 D HA 0.078 4.718 4.640 0.001 0.000 0.221 499 D C 0.327 176.612 176.300 -0.025 0.000 1.101 499 D CA -0.312 53.679 54.000 -0.014 0.000 0.837 499 D CB -0.373 40.421 40.800 -0.011 0.000 0.938 499 D HN -0.043 nan 8.370 nan 0.000 0.508 500 A N 1.484 124.285 122.820 -0.031 0.000 2.462 500 A HA 0.404 4.725 4.320 0.001 0.000 0.243 500 A C -2.232 175.318 177.584 -0.057 0.000 1.076 500 A CA -0.933 51.078 52.037 -0.042 0.000 0.773 500 A CB -0.180 18.795 19.000 -0.042 0.000 1.010 500 A HN 0.080 nan 8.150 nan 0.000 0.493 501 P HA 0.313 nan 4.420 nan 0.000 0.264 501 P C 1.048 178.287 177.300 -0.103 0.000 1.193 501 P CA 1.653 64.695 63.100 -0.096 0.000 0.763 501 P CB 0.767 32.411 31.700 -0.095 0.000 0.810 502 G N 2.117 110.829 108.800 -0.146 0.000 2.254 502 G HA2 -0.038 3.923 3.960 0.001 0.000 0.225 502 G HA3 -0.038 3.923 3.960 0.001 0.000 0.225 502 G C 0.702 175.522 174.900 -0.133 0.000 1.003 502 G CA 0.204 45.219 45.100 -0.142 0.000 0.622 502 G HN 0.965 nan 8.290 nan 0.000 0.507 503 G N 0.286 109.027 108.800 -0.097 0.000 2.578 503 G HA2 -0.013 3.948 3.960 0.001 0.000 0.284 503 G HA3 -0.013 3.948 3.960 0.001 0.000 0.284 503 G C 0.779 175.659 174.900 -0.032 0.000 1.283 503 G CA 1.094 46.154 45.100 -0.066 0.000 0.944 503 G HN 1.872 nan 8.290 nan 0.000 0.558 504 M N -1.857 117.743 119.600 0.001 0.000 2.297 504 M HA -0.197 4.284 4.480 0.001 0.000 0.200 504 M C 1.320 177.669 176.300 0.083 0.000 0.414 504 M CA 0.702 56.052 55.300 0.084 0.000 0.449 504 M CB -1.748 30.958 32.600 0.177 0.000 1.436 504 M HN 0.518 nan 8.290 nan 0.000 0.912 505 I N 0.783 121.375 120.570 0.036 0.000 2.113 505 I HA -0.261 3.909 4.170 0.001 0.000 0.238 505 I C 2.100 178.229 176.117 0.018 0.000 1.070 505 I CA 2.587 63.892 61.300 0.009 0.000 1.332 505 I CB -0.010 37.987 38.000 -0.004 0.000 1.044 505 I HN 0.424 nan 8.210 nan 0.000 0.402 506 E N -0.073 120.154 120.200 0.046 0.000 2.077 506 E HA -0.263 4.088 4.350 0.001 0.000 0.193 506 E C 2.018 178.680 176.600 0.103 0.000 0.989 506 E CA 1.343 57.775 56.400 0.052 0.000 0.800 506 E CB -0.699 29.033 29.700 0.054 0.000 0.746 506 E HN 0.405 nan 8.360 nan 0.000 0.452 507 F N 1.852 121.773 119.950 -0.048 0.000 2.095 507 F HA -0.131 4.396 4.527 0.001 0.000 0.298 507 F C 2.007 177.747 175.800 -0.100 0.000 1.104 507 F CA 1.560 59.521 58.000 -0.064 0.000 1.232 507 F CB -0.166 38.806 39.000 -0.046 0.000 0.987 507 F HN -0.152 nan 8.300 nan 0.000 0.475 508 R N -0.138 120.282 120.500 -0.134 0.000 2.075 508 R HA -0.108 4.233 4.340 0.001 0.000 0.232 508 R C 2.410 178.549 176.300 -0.269 0.000 1.126 508 R CA 1.499 57.416 56.100 -0.305 0.000 0.963 508 R CB -0.295 29.898 30.300 -0.177 0.000 0.858 508 R HN 0.305 nan 8.270 nan 0.000 0.435 509 R N -0.372 120.030 120.500 -0.164 0.000 2.062 509 R HA -0.061 4.280 4.340 0.001 0.000 0.231 509 R C 2.326 178.530 176.300 -0.159 0.000 1.136 509 R CA 1.841 57.848 56.100 -0.155 0.000 0.948 509 R CB -0.558 29.685 30.300 -0.094 0.000 0.845 509 R HN 0.172 nan 8.270 nan 0.000 0.430 510 T N 1.969 116.457 114.554 -0.110 0.000 2.685 510 T HA -0.164 4.186 4.350 0.001 0.000 0.268 510 T C 1.863 176.407 174.700 -0.260 0.000 1.034 510 T CA 1.247 63.288 62.100 -0.098 0.000 1.149 510 T CB -0.213 68.662 68.868 0.012 0.000 0.860 510 T HN 0.148 nan 8.240 nan 0.000 0.449 511 L N 1.092 122.060 121.223 -0.425 0.000 2.083 511 L HA -0.125 4.216 4.340 0.001 0.000 0.209 511 L C 3.088 179.568 176.870 -0.649 0.000 1.083 511 L CA 1.675 56.070 54.840 -0.742 0.000 0.752 511 L CB -1.108 40.364 42.059 -0.979 0.000 0.899 511 L HN 0.508 nan 8.230 nan 0.000 0.433 512 T N -2.168 112.176 114.554 -0.349 0.000 2.821 512 T HA -0.148 4.203 4.350 0.001 0.000 0.267 512 T C 1.845 176.555 174.700 0.017 0.000 1.046 512 T CA 0.850 62.869 62.100 -0.135 0.000 1.139 512 T CB -0.422 68.149 68.868 -0.495 0.000 0.871 512 T HN 0.203 nan 8.240 nan 0.000 0.454 513 L N 0.837 122.001 121.223 -0.099 0.000 2.072 513 L HA -0.008 4.333 4.340 0.001 0.000 0.205 513 L C 3.124 179.868 176.870 -0.210 0.000 1.079 513 L CA 1.271 56.085 54.840 -0.044 0.000 0.752 513 L CB -0.931 41.119 42.059 -0.016 0.000 0.906 513 L HN 0.323 nan 8.230 nan 0.000 0.436 514 S N -0.246 115.206 115.700 -0.413 0.000 2.382 514 S HA -0.092 4.379 4.470 0.001 0.000 0.228 514 S C 1.873 176.311 174.600 -0.271 0.000 1.027 514 S CA 1.250 59.114 58.200 -0.560 0.000 0.991 514 S CB -0.265 62.627 63.200 -0.512 0.000 0.823 514 S HN 0.291 nan 8.310 nan 0.000 0.469 515 F N -0.016 119.798 119.950 -0.227 0.000 2.186 515 F HA -0.072 4.455 4.527 0.001 0.000 0.299 515 F C 2.128 177.869 175.800 -0.097 0.000 1.090 515 F CA 0.562 58.358 58.000 -0.340 0.000 1.307 515 F CB -0.236 38.714 39.000 -0.084 0.000 1.019 515 F HN 0.197 nan 8.300 nan 0.000 0.489 516 F N 0.549 120.635 119.950 0.227 0.000 2.102 516 F HA -0.282 4.245 4.527 0.001 0.000 0.298 516 F C 2.200 178.197 175.800 0.328 0.000 1.105 516 F CA 1.191 59.379 58.000 0.314 0.000 1.239 516 F CB -0.960 38.199 39.000 0.265 0.000 0.991 516 F HN -0.038 nan 8.300 nan 0.000 0.474 517 F N 1.617 121.461 119.950 -0.176 0.000 2.091 517 F HA -0.246 4.282 4.527 0.001 0.000 0.299 517 F C 2.302 177.984 175.800 -0.197 0.000 1.103 517 F CA 2.106 59.943 58.000 -0.273 0.000 1.228 517 F CB -0.804 37.826 39.000 -0.616 0.000 0.984 517 F HN -0.069 nan 8.300 nan 0.000 0.477 518 K N -1.005 119.213 120.400 -0.304 0.000 2.063 518 K HA -0.229 4.092 4.320 0.001 0.000 0.208 518 K C 2.147 178.744 176.600 -0.006 0.000 1.048 518 K CA 1.796 57.895 56.287 -0.314 0.000 0.928 518 K CB -0.768 31.456 32.500 -0.460 0.000 0.713 518 K HN 0.321 nan 8.250 nan 0.000 0.442 519 F N 0.924 120.860 119.950 -0.023 0.000 2.134 519 F HA -0.257 4.271 4.527 0.001 0.000 0.299 519 F C 2.233 178.048 175.800 0.024 0.000 1.097 519 F CA 1.246 59.294 58.000 0.081 0.000 1.264 519 F CB -0.659 38.404 39.000 0.105 0.000 1.001 519 F HN 0.054 nan 8.300 nan 0.000 0.479 520 Y N 0.639 120.734 120.300 -0.341 0.000 2.128 520 Y HA -0.225 4.326 4.550 0.001 0.000 0.284 520 Y C 2.075 177.947 175.900 -0.047 0.000 1.154 520 Y CA 2.147 60.100 58.100 -0.246 0.000 1.149 520 Y CB -0.673 37.513 38.460 -0.457 0.000 0.976 520 Y HN 0.114 nan 8.280 nan 0.000 0.505 521 L N -0.946 120.136 121.223 -0.236 0.000 2.056 521 L HA -0.216 4.125 4.340 0.001 0.000 0.207 521 L C 2.330 179.064 176.870 -0.227 0.000 1.078 521 L CA 1.783 56.458 54.840 -0.276 0.000 0.749 521 L CB -0.996 40.877 42.059 -0.310 0.000 0.901 521 L HN 0.191 nan 8.230 nan 0.000 0.433 522 T N -0.521 113.931 114.554 -0.170 0.000 2.788 522 T HA -0.145 4.205 4.350 0.001 0.000 0.268 522 T C 1.995 176.521 174.700 -0.289 0.000 1.044 522 T CA 1.231 63.247 62.100 -0.139 0.000 1.139 522 T CB -0.153 68.720 68.868 0.008 0.000 0.867 522 T HN 0.061 nan 8.240 nan 0.000 0.454 523 V N 1.286 120.956 119.914 -0.407 0.000 2.323 523 V HA -0.060 4.061 4.120 0.001 0.000 0.244 523 V C 2.499 178.257 176.094 -0.559 0.000 1.041 523 V CA 1.179 63.105 62.300 -0.623 0.000 1.025 523 V CB -0.659 30.652 31.823 -0.853 0.000 0.656 523 V HN 0.428 nan 8.190 nan 0.000 0.451 524 L N 0.145 121.153 121.223 -0.358 0.000 2.021 524 L HA -0.331 4.010 4.340 0.001 0.000 0.215 524 L C 2.628 179.333 176.870 -0.275 0.000 1.074 524 L CA 2.512 57.182 54.840 -0.283 0.000 0.760 524 L CB -0.599 41.295 42.059 -0.274 0.000 0.889 524 L HN 0.379 nan 8.230 nan 0.000 0.433 525 K N 0.385 120.632 120.400 -0.255 0.000 2.057 525 K HA -0.200 4.121 4.320 0.001 0.000 0.206 525 K C 2.078 178.521 176.600 -0.261 0.000 1.050 525 K CA 1.442 57.608 56.287 -0.201 0.000 0.935 525 K CB 0.061 32.477 32.500 -0.140 0.000 0.715 525 K HN 0.177 nan 8.250 nan 0.000 0.439 526 K N 0.354 120.502 120.400 -0.419 0.000 2.228 526 K HA 0.014 4.335 4.320 0.001 0.000 0.202 526 K C 1.989 178.253 176.600 -0.559 0.000 1.051 526 K CA 0.653 56.622 56.287 -0.530 0.000 0.960 526 K CB 0.082 32.029 32.500 -0.921 0.000 0.743 526 K HN 0.141 nan 8.250 nan 0.000 0.458 527 L N -0.082 120.796 121.223 -0.576 0.000 2.093 527 L HA -0.062 4.279 4.340 0.001 0.000 0.208 527 L C 1.631 178.371 176.870 -0.217 0.000 1.085 527 L CA 0.815 55.413 54.840 -0.404 0.000 0.755 527 L CB -0.203 41.584 42.059 -0.454 0.000 0.904 527 L HN 0.203 nan 8.230 nan 0.000 0.435 528 G N -0.410 108.276 108.800 -0.191 0.000 3.581 528 G HA2 0.141 4.102 3.960 0.001 0.000 0.255 528 G HA3 0.141 4.102 3.960 0.001 0.000 0.255 528 G C 0.412 175.262 174.900 -0.084 0.000 1.121 528 G CA -0.279 44.751 45.100 -0.116 0.000 1.739 528 G HN 0.062 nan 8.290 nan 0.000 0.646 529 K N -0.497 119.862 120.400 -0.069 0.000 2.409 529 K HA -0.229 4.091 4.320 0.001 0.000 0.157 529 K C 0.234 176.812 176.600 -0.037 0.000 0.912 529 K CA 1.756 58.020 56.287 -0.038 0.000 0.367 529 K CB -1.259 31.225 32.500 -0.027 0.000 0.739 529 K HN 0.514 nan 8.250 nan 0.000 0.746 538 L N 1.503 122.717 121.223 -0.014 0.000 2.586 538 L HA 0.390 4.730 4.340 0.001 0.000 0.204 538 L C -0.675 176.182 176.870 -0.022 0.000 1.053 538 L CA 0.761 55.587 54.840 -0.023 0.000 0.856 538 L CB 0.581 42.618 42.059 -0.036 0.000 1.192 538 L HN 0.971 nan 8.230 nan 0.000 0.484 539 D N -0.283 120.113 120.400 -0.007 0.000 3.036 539 D HA 0.208 4.849 4.640 0.001 0.000 0.244 539 D C -2.657 173.676 176.300 0.056 0.000 1.337 539 D CA -1.063 52.932 54.000 -0.008 0.000 0.829 539 D CB 0.020 40.775 40.800 -0.075 0.000 1.478 539 D HN 0.021 nan 8.370 nan 0.000 0.570 540 P HA 0.283 nan 4.420 nan 0.000 0.273 540 P C 0.578 177.947 177.300 0.114 0.000 1.250 540 P CA 0.284 63.427 63.100 0.073 0.000 0.793 540 P CB 1.153 32.871 31.700 0.030 0.000 1.011 541 T N -1.612 112.997 114.554 0.093 0.000 9.357 541 T HA -0.217 4.133 4.350 0.001 0.000 0.329 541 T C 0.916 175.752 174.700 0.228 0.000 1.977 541 T CA 1.175 63.341 62.100 0.109 0.000 3.278 541 T CB -1.939 67.021 68.868 0.155 0.000 1.837 541 T HN 0.432 nan 8.240 nan 0.000 0.682 542 Y N 1.104 121.480 120.300 0.126 0.000 2.507 542 Y HA 0.161 4.712 4.550 0.001 0.000 0.263 542 Y C 2.660 178.666 175.900 0.177 0.000 1.093 542 Y CA 1.386 59.651 58.100 0.274 0.000 1.285 542 Y CB -0.134 38.491 38.460 0.274 0.000 1.115 542 Y HN 0.575 nan 8.280 nan 0.000 0.533 543 T N -2.372 112.320 114.554 0.229 0.000 2.803 543 T HA -0.213 4.138 4.350 0.001 0.000 0.269 543 T C 2.092 176.856 174.700 0.106 0.000 1.052 543 T CA 1.602 63.778 62.100 0.127 0.000 1.136 543 T CB -0.756 68.161 68.868 0.081 0.000 0.864 543 T HN 0.341 nan 8.240 nan 0.000 0.467 544 S N 2.134 117.904 115.700 0.117 0.000 2.423 544 S HA 0.220 4.691 4.470 0.001 0.000 0.231 544 S C 2.435 177.116 174.600 0.135 0.000 1.014 544 S CA 0.634 58.906 58.200 0.121 0.000 0.965 544 S CB -0.850 62.422 63.200 0.120 0.000 0.785 544 S HN 0.757 nan 8.310 nan 0.000 0.495 545 A N 2.005 124.909 122.820 0.140 0.000 2.076 545 A HA -0.061 4.260 4.320 0.001 0.000 0.220 545 A C 2.397 179.980 177.584 -0.001 0.000 1.160 545 A CA 1.939 54.006 52.037 0.050 0.000 0.653 545 A CB -1.335 17.597 19.000 -0.114 0.000 0.801 545 A HN 0.800 nan 8.150 nan 0.000 0.455 546 T N -2.764 111.809 114.554 0.032 0.000 3.086 546 T HA 0.418 4.769 4.350 0.001 0.000 0.250 546 T C 0.400 175.164 174.700 0.106 0.000 1.074 546 T CA -0.275 61.855 62.100 0.050 0.000 0.988 546 T CB -0.457 68.421 68.868 0.016 0.000 0.988 546 T HN 0.209 nan 8.240 nan 0.000 0.530 547 L N 2.169 123.462 121.223 0.116 0.000 2.349 547 L HA 0.446 4.787 4.340 0.001 0.000 0.275 547 L C -0.076 176.900 176.870 0.176 0.000 1.115 547 L CA -1.068 53.848 54.840 0.127 0.000 0.820 547 L CB 0.775 42.899 42.059 0.109 0.000 1.135 547 L HN 0.112 nan 8.230 nan 0.000 0.445 548 L N 2.554 123.890 121.223 0.188 0.000 2.452 548 L HA 0.192 4.533 4.340 0.001 0.000 0.267 548 L C 0.061 177.102 176.870 0.285 0.000 1.188 548 L CA 0.074 55.068 54.840 0.257 0.000 0.821 548 L CB -0.017 42.176 42.059 0.223 0.000 1.102 548 L HN 0.304 nan 8.230 nan 0.000 0.470 549 F N 1.944 122.049 119.950 0.257 0.000 2.629 549 F HA 0.079 4.607 4.527 0.001 0.000 0.377 549 F C 0.303 176.250 175.800 0.245 0.000 1.101 549 F CA 0.530 58.686 58.000 0.259 0.000 1.301 549 F CB 0.158 39.359 39.000 0.335 0.000 1.062 549 F HN 0.441 nan 8.300 nan 0.000 0.583 550 Q N 4.875 124.376 119.800 -0.497 0.000 2.289 550 Q HA 0.209 4.550 4.340 0.001 0.000 0.270 550 Q C -1.088 174.685 176.000 -0.379 0.000 1.038 550 Q CA -1.230 54.431 55.803 -0.237 0.000 0.812 550 Q CB 1.892 30.597 28.738 -0.056 0.000 1.300 550 Q HN 0.438 nan 8.270 nan 0.000 0.427 551 K N 2.308 122.693 120.400 -0.024 0.000 2.378 551 K HA 0.102 4.422 4.320 0.001 0.000 0.288 551 K C -0.624 176.025 176.600 0.082 0.000 1.057 551 K CA 0.058 56.403 56.287 0.098 0.000 0.971 551 K CB 0.181 32.818 32.500 0.228 0.000 0.975 551 K HN 0.594 nan 8.250 nan 0.000 0.475 552 H N 4.090 123.158 119.070 -0.002 0.000 2.815 552 H HA 0.061 4.618 4.556 0.001 0.000 0.350 552 H C -1.765 173.603 175.328 0.066 0.000 1.080 552 H CA -0.442 55.620 56.048 0.025 0.000 1.433 552 H CB 0.536 30.304 29.762 0.010 0.000 1.432 552 H HN 0.405 nan 8.280 nan 0.000 0.592 553 P HA 0.028 nan 4.420 nan 0.000 0.266 553 P C -2.587 174.821 177.300 0.181 0.000 1.195 553 P CA -1.147 62.023 63.100 0.117 0.000 0.768 553 P CB 0.064 31.799 31.700 0.058 0.000 0.838 554 P HA 0.249 nan 4.420 nan 0.000 0.271 554 P C -1.042 176.358 177.300 0.168 0.000 1.216 554 P CA -0.091 63.122 63.100 0.190 0.000 0.771 554 P CB 0.710 32.535 31.700 0.210 0.000 0.864 555 A N 3.447 126.364 122.820 0.162 0.000 2.374 555 A HA 0.624 4.945 4.320 0.001 0.000 0.305 555 A C -0.816 176.852 177.584 0.139 0.000 1.053 555 A CA -0.622 51.495 52.037 0.133 0.000 0.726 555 A CB 0.918 19.984 19.000 0.111 0.000 1.229 555 A HN 0.553 nan 8.150 nan 0.000 0.431 556 N N 2.152 120.922 118.700 0.117 0.000 2.430 556 N HA 0.485 5.225 4.740 0.001 0.000 0.290 556 N C -1.547 173.996 175.510 0.056 0.000 1.063 556 N CA -0.417 52.693 53.050 0.100 0.000 0.883 556 N CB 1.902 40.452 38.487 0.106 0.000 1.465 556 N HN 0.405 nan 8.380 nan 0.000 0.493 557 I N 1.960 122.551 120.570 0.035 0.000 2.436 557 I HA 0.322 4.492 4.170 0.001 0.000 0.289 557 I C -0.354 175.767 176.117 0.007 0.000 1.010 557 I CA -0.641 60.670 61.300 0.018 0.000 1.098 557 I CB 1.712 39.722 38.000 0.016 0.000 1.266 557 I HN 0.321 nan 8.210 nan 0.000 0.434 558 Q N 5.932 125.749 119.800 0.029 0.000 2.333 558 Q HA 0.752 5.093 4.340 0.001 0.000 0.267 558 Q C -1.196 174.883 176.000 0.131 0.000 1.012 558 Q CA -0.270 55.575 55.803 0.069 0.000 0.824 558 Q CB 3.036 31.829 28.738 0.092 0.000 1.290 558 Q HN 0.470 nan 8.270 nan 0.000 0.449 559 L N 4.163 125.467 121.223 0.136 0.000 2.381 559 L HA 0.749 5.090 4.340 0.001 0.000 0.274 559 L C -0.944 176.035 176.870 0.183 0.000 0.988 559 L CA -0.848 54.034 54.840 0.069 0.000 0.824 559 L CB 0.713 42.771 42.059 -0.003 0.000 1.263 559 L HN 0.678 nan 8.230 nan 0.000 0.410 560 F N -0.137 119.792 119.950 -0.035 0.000 2.754 560 F HA 0.565 5.093 4.527 0.001 0.000 0.320 560 F C -0.768 175.016 175.800 -0.026 0.000 1.156 560 F CA -1.117 56.865 58.000 -0.030 0.000 0.950 560 F CB 1.616 40.594 39.000 -0.036 0.000 1.388 560 F HN 0.328 nan 8.300 nan 0.000 0.485 561 Q N 1.443 121.300 119.800 0.095 0.000 2.243 561 Q HA 0.216 4.557 4.340 0.001 0.000 0.252 561 Q C -0.437 175.567 176.000 0.006 0.000 0.909 561 Q CA -0.694 55.103 55.803 -0.009 0.000 0.922 561 Q CB 1.121 29.881 28.738 0.036 0.000 1.215 561 Q HN 0.495 nan 8.270 nan 0.000 0.427 562 E N 1.318 121.469 120.200 -0.081 0.000 2.408 562 E HA 0.039 4.390 4.350 0.001 0.000 0.259 562 E C -0.495 176.111 176.600 0.009 0.000 1.110 562 E CA -0.029 56.349 56.400 -0.037 0.000 0.929 562 E CB 0.936 30.595 29.700 -0.068 0.000 0.971 562 E HN 0.515 nan 8.360 nan 0.000 0.438 563 V N 0.501 120.429 119.914 0.023 0.000 2.881 563 V HA 0.288 4.409 4.120 0.001 0.000 0.303 563 V C -2.175 173.917 176.094 -0.003 0.000 1.070 563 V CA -1.747 60.560 62.300 0.012 0.000 1.074 563 V CB 0.119 31.948 31.823 0.009 0.000 1.012 563 V HN 0.481 nan 8.190 nan 0.000 0.482 564 P HA 0.072 nan 4.420 nan 0.000 0.258 564 P C 0.786 178.081 177.300 -0.009 0.000 1.187 564 P CA 0.444 63.538 63.100 -0.009 0.000 0.767 564 P CB 0.112 31.806 31.700 -0.009 0.000 0.770 565 N N 3.938 122.633 118.700 -0.009 0.000 2.287 565 N HA -0.243 4.497 4.740 0.001 0.000 0.195 565 N C 1.800 177.307 175.510 -0.006 0.000 0.922 565 N CA 2.483 55.528 53.050 -0.008 0.000 0.929 565 N CB -0.859 37.623 38.487 -0.009 0.000 1.068 565 N HN 0.580 nan 8.380 nan 0.000 0.696 566 G N -0.436 108.361 108.800 -0.005 0.000 2.744 566 G HA2 -0.128 3.833 3.960 0.001 0.000 0.211 566 G HA3 -0.128 3.833 3.960 0.001 0.000 0.211 566 G C 0.529 175.426 174.900 -0.004 0.000 1.143 566 G CA -0.032 45.066 45.100 -0.002 0.000 0.788 566 G HN 0.555 nan 8.290 nan 0.000 0.534 567 Q N 1.340 121.135 119.800 -0.009 0.000 2.283 567 Q HA 0.180 4.520 4.340 0.001 0.000 0.301 567 Q C 0.533 176.526 176.000 -0.012 0.000 1.063 567 Q CA -0.257 55.537 55.803 -0.016 0.000 0.952 567 Q CB 0.305 29.029 28.738 -0.023 0.000 1.166 567 Q HN 0.162 nan 8.270 nan 0.000 0.381 568 S N 2.937 118.629 115.700 -0.014 0.000 2.558 568 S HA -0.043 4.428 4.470 0.001 0.000 0.291 568 S C 0.928 175.521 174.600 -0.012 0.000 1.306 568 S CA -0.126 58.068 58.200 -0.010 0.000 1.056 568 S CB 0.523 63.716 63.200 -0.011 0.000 0.836 568 S HN 0.733 nan 8.310 nan 0.000 0.504 569 K N 3.161 123.558 120.400 -0.006 0.000 2.280 569 K HA -0.092 4.228 4.320 0.001 0.000 0.202 569 K C 1.479 178.073 176.600 -0.010 0.000 1.047 569 K CA 1.328 57.613 56.287 -0.004 0.000 0.942 569 K CB -0.054 32.447 32.500 0.002 0.000 0.739 569 K HN 0.715 nan 8.250 nan 0.000 0.457 570 E N 0.657 120.848 120.200 -0.016 0.000 2.435 570 E HA -0.076 4.274 4.350 0.001 0.000 0.195 570 E C 0.047 176.624 176.600 -0.038 0.000 1.029 570 E CA 0.003 56.388 56.400 -0.026 0.000 0.865 570 E CB 0.199 29.880 29.700 -0.031 0.000 0.833 570 E HN 0.123 nan 8.360 nan 0.000 0.510 571 D N 0.833 121.208 120.400 -0.042 0.000 2.380 571 D HA -0.007 4.633 4.640 0.001 0.000 0.230 571 D C 0.707 176.972 176.300 -0.059 0.000 1.154 571 D CA 0.024 53.984 54.000 -0.067 0.000 0.859 571 D CB 1.057 41.809 40.800 -0.081 0.000 1.045 571 D HN -0.029 nan 8.370 nan 0.000 0.495 572 T N 0.018 114.539 114.554 -0.056 0.000 3.086 572 T HA 0.106 4.457 4.350 0.001 0.000 0.250 572 T C 0.916 175.586 174.700 -0.049 0.000 1.074 572 T CA -0.327 61.752 62.100 -0.035 0.000 0.988 572 T CB -0.071 68.787 68.868 -0.017 0.000 0.988 572 T HN 0.087 nan 8.240 nan 0.000 0.530 573 V N 2.368 122.227 119.914 -0.093 0.000 2.493 573 V HA 0.448 4.568 4.120 0.001 0.000 0.292 573 V C 1.668 177.715 176.094 -0.077 0.000 1.016 573 V CA 1.209 63.443 62.300 -0.111 0.000 1.097 573 V CB -0.241 31.432 31.823 -0.249 0.000 0.947 573 V HN 0.854 nan 8.190 nan 0.000 0.479 574 G N 4.684 113.459 108.800 -0.040 0.000 2.175 574 G HA2 -0.207 3.754 3.960 0.001 0.000 0.244 574 G HA3 -0.207 3.754 3.960 0.001 0.000 0.244 574 G C 0.244 175.152 174.900 0.015 0.000 0.982 574 G CA -0.021 45.073 45.100 -0.009 0.000 0.641 574 G HN 0.616 nan 8.290 nan 0.000 0.527 575 R N 0.539 121.039 120.500 -0.000 0.000 2.598 575 R HA 0.498 4.838 4.340 0.001 0.000 0.279 575 R C -2.459 173.832 176.300 -0.014 0.000 0.984 575 R CA -1.854 54.261 56.100 0.025 0.000 0.999 575 R CB 1.611 31.929 30.300 0.029 0.000 1.114 575 R HN 0.016 nan 8.270 nan 0.000 0.493 576 P HA 0.052 nan 4.420 nan 0.000 0.220 576 P C -0.666 176.671 177.300 0.062 0.000 1.806 576 P CA -0.228 62.817 63.100 -0.091 0.000 0.976 576 P CB -0.058 31.555 31.700 -0.146 0.000 1.952 577 L N 3.154 124.410 121.223 0.055 0.000 2.410 577 L HA 0.353 4.693 4.340 0.001 0.000 0.273 577 L C -2.348 174.636 176.870 0.190 0.000 1.144 577 L CA -1.965 52.941 54.840 0.111 0.000 0.863 577 L CB -0.148 41.943 42.059 0.053 0.000 1.140 577 L HN -0.008 nan 8.230 nan 0.000 0.463 578 P HA -0.045 nan 4.420 nan 0.000 0.266 578 P C -0.791 176.633 177.300 0.207 0.000 1.195 578 P CA 0.020 63.290 63.100 0.283 0.000 0.768 578 P CB 0.196 31.966 31.700 0.117 0.000 0.838 579 H N 3.205 122.344 119.070 0.116 0.000 3.193 579 H HA -0.096 4.460 4.556 0.001 0.000 0.306 579 H C 1.030 176.392 175.328 0.058 0.000 0.960 579 H CA 0.818 56.906 56.048 0.067 0.000 1.375 579 H CB 0.397 30.195 29.762 0.059 0.000 1.321 579 H HN 0.396 nan 8.280 nan 0.000 0.578 580 L N 4.274 125.559 121.223 0.103 0.000 2.265 580 L HA -0.144 4.197 4.340 0.001 0.000 0.215 580 L C 2.321 179.318 176.870 0.211 0.000 1.117 580 L CA 1.305 56.219 54.840 0.123 0.000 0.782 580 L CB -0.285 41.792 42.059 0.030 0.000 0.914 580 L HN 0.626 nan 8.230 nan 0.000 0.441 581 A N -0.671 122.403 122.820 0.423 0.000 2.308 581 A HA 0.383 4.704 4.320 0.001 0.000 0.217 581 A C 2.328 179.989 177.584 0.129 0.000 1.216 581 A CA 0.659 52.844 52.037 0.248 0.000 0.864 581 A CB -0.177 18.972 19.000 0.248 0.000 0.902 581 A HN 0.276 nan 8.150 nan 0.000 0.499 582 A N 0.302 123.202 122.820 0.134 0.000 1.940 582 A HA 0.105 4.426 4.320 0.001 0.000 0.219 582 A C 2.376 179.974 177.584 0.024 0.000 1.176 582 A CA 1.922 53.968 52.037 0.015 0.000 0.631 582 A CB -0.712 18.308 19.000 0.034 0.000 0.814 582 A HN 1.001 nan 8.150 nan 0.000 0.446 583 A N -0.828 122.021 122.820 0.048 0.000 1.930 583 A HA -0.012 4.309 4.320 0.001 0.000 0.217 583 A C 2.199 179.809 177.584 0.043 0.000 1.175 583 A CA 1.616 53.677 52.037 0.040 0.000 0.627 583 A CB -0.442 18.586 19.000 0.046 0.000 0.815 583 A HN 0.524 nan 8.150 nan 0.000 0.443 584 M N -1.012 118.618 119.600 0.050 0.000 2.349 584 M HA -0.113 4.368 4.480 0.001 0.000 0.266 584 M C 2.250 178.582 176.300 0.052 0.000 1.076 584 M CA 0.965 56.293 55.300 0.047 0.000 1.126 584 M CB -0.217 32.412 32.600 0.048 0.000 1.392 584 M HN 0.480 nan 8.290 nan 0.000 0.440 585 Q N 0.279 120.110 119.800 0.053 0.000 2.079 585 Q HA -0.075 4.266 4.340 0.001 0.000 0.200 585 Q C 2.229 178.268 176.000 0.065 0.000 0.974 585 Q CA 1.586 57.438 55.803 0.082 0.000 0.840 585 Q CB -0.244 28.531 28.738 0.061 0.000 0.898 585 Q HN 0.566 nan 8.270 nan 0.000 0.430 586 A N 0.946 123.794 122.820 0.047 0.000 2.067 586 A HA -0.126 4.195 4.320 0.001 0.000 0.219 586 A C 2.114 179.723 177.584 0.042 0.000 1.158 586 A CA 1.539 53.607 52.037 0.052 0.000 0.661 586 A CB -0.276 18.757 19.000 0.054 0.000 0.801 586 A HN 0.401 nan 8.150 nan 0.000 0.452 587 S N -2.552 113.170 115.700 0.036 0.000 2.535 587 S HA 0.397 4.868 4.470 0.001 0.000 0.214 587 S C 1.379 175.987 174.600 0.012 0.000 0.980 587 S CA 1.029 59.241 58.200 0.020 0.000 0.907 587 S CB -0.053 63.160 63.200 0.023 0.000 0.790 587 S HN 1.840 nan 8.310 nan 0.000 0.510 588 G N 1.207 110.024 108.800 0.028 0.000 2.143 588 G HA2 -0.264 3.697 3.960 0.001 0.000 0.249 588 G HA3 -0.264 3.697 3.960 0.001 0.000 0.249 588 G C 0.414 175.338 174.900 0.040 0.000 0.981 588 G CA 0.453 45.569 45.100 0.028 0.000 0.665 588 G HN 0.582 nan 8.290 nan 0.000 0.528 589 E N -0.083 120.140 120.200 0.039 0.000 2.415 589 E HA 0.446 4.797 4.350 0.001 0.000 0.197 589 E C 1.679 178.295 176.600 0.028 0.000 1.007 589 E CA 0.313 56.730 56.400 0.028 0.000 0.890 589 E CB 0.314 30.026 29.700 0.019 0.000 0.891 589 E HN 0.757 nan 8.360 nan 0.000 0.496 590 A N 1.552 124.395 122.820 0.038 0.000 2.520 590 A HA 0.170 4.491 4.320 0.001 0.000 0.245 590 A C 0.167 177.721 177.584 -0.049 0.000 1.072 590 A CA -0.109 51.908 52.037 -0.032 0.000 0.761 590 A CB 0.314 19.278 19.000 -0.061 0.000 1.004 590 A HN 0.006 nan 8.150 nan 0.000 0.499 591 V N 4.310 124.151 119.914 -0.122 0.000 2.406 591 V HA 0.293 4.414 4.120 0.001 0.000 0.272 591 V C -0.514 175.461 176.094 -0.197 0.000 1.043 591 V CA -0.004 62.259 62.300 -0.061 0.000 0.915 591 V CB -0.125 31.669 31.823 -0.049 0.000 0.988 591 V HN 0.746 nan 8.190 nan 0.000 0.466 592 Y N 1.920 122.276 120.300 0.093 0.000 2.534 592 Y HA 0.332 4.882 4.550 0.001 0.000 0.329 592 Y C 1.484 177.426 175.900 0.070 0.000 1.154 592 Y CA -0.375 57.791 58.100 0.109 0.000 1.192 592 Y CB 0.924 39.530 38.460 0.244 0.000 1.275 592 Y HN 0.648 nan 8.280 nan 0.000 0.491 593 C N 0.700 120.123 119.300 0.206 0.000 2.376 593 C HA -0.259 4.202 4.460 0.001 0.000 0.275 593 C C 2.482 177.534 174.990 0.104 0.000 1.200 593 C CA 2.466 61.555 59.018 0.119 0.000 1.756 593 C CB -0.838 26.964 27.740 0.102 0.000 2.050 593 C HN 1.086 nan 8.230 nan 0.000 0.460 594 D N -0.179 120.309 120.400 0.146 0.000 2.310 594 D HA -0.074 4.567 4.640 0.001 0.000 0.212 594 D C 1.528 177.898 176.300 0.116 0.000 0.965 594 D CA 1.010 55.091 54.000 0.134 0.000 0.879 594 D CB -0.349 40.546 40.800 0.159 0.000 0.921 594 D HN 0.563 nan 8.370 nan 0.000 0.510 595 D N -0.307 120.175 120.400 0.137 0.000 2.317 595 D HA -0.011 4.630 4.640 0.001 0.000 0.211 595 D C 0.622 176.928 176.300 0.010 0.000 0.966 595 D CA 0.127 54.183 54.000 0.094 0.000 0.876 595 D CB 0.053 40.941 40.800 0.146 0.000 0.927 595 D HN 0.355 nan 8.370 nan 0.000 0.519 596 I N 2.660 123.208 120.570 -0.037 0.000 2.752 596 I HA -0.018 4.152 4.170 0.001 0.000 0.289 596 I C -1.917 174.113 176.117 -0.144 0.000 1.197 596 I CA -1.370 59.843 61.300 -0.145 0.000 1.432 596 I CB 0.130 37.963 38.000 -0.279 0.000 1.359 596 I HN -0.260 nan 8.210 nan 0.000 0.571 597 P HA 0.010 nan 4.420 nan 0.000 0.266 597 P C -0.894 176.279 177.300 -0.213 0.000 1.193 597 P CA -0.232 62.768 63.100 -0.166 0.000 0.770 597 P CB 0.354 31.942 31.700 -0.186 0.000 0.836 598 R N 2.011 122.435 120.500 -0.128 0.000 2.490 598 R HA 0.314 4.654 4.340 0.001 0.000 0.278 598 R C -0.512 175.691 176.300 -0.162 0.000 1.069 598 R CA -0.512 55.520 56.100 -0.113 0.000 1.080 598 R CB 0.048 30.343 30.300 -0.008 0.000 1.030 598 R HN 0.333 nan 8.270 nan 0.000 0.491 599 Y N 1.146 121.414 120.300 -0.054 0.000 2.457 599 Y HA -0.087 4.463 4.550 0.001 0.000 0.341 599 Y C 1.694 177.582 175.900 -0.020 0.000 1.240 599 Y CA 0.411 58.488 58.100 -0.038 0.000 1.437 599 Y CB 0.918 39.353 38.460 -0.042 0.000 1.328 599 Y HN 0.802 nan 8.280 nan 0.000 0.588 600 E N 0.117 120.416 120.200 0.164 0.000 2.267 600 E HA -0.242 4.108 4.350 0.001 0.000 0.197 600 E C 0.473 177.141 176.600 0.113 0.000 0.998 600 E CA 1.697 58.160 56.400 0.105 0.000 0.830 600 E CB -0.264 29.482 29.700 0.076 0.000 0.751 600 E HN 0.658 nan 8.360 nan 0.000 0.491 601 N N 0.769 119.540 118.700 0.119 0.000 2.275 601 N HA 0.027 4.768 4.740 0.001 0.000 0.236 601 N C -0.684 174.947 175.510 0.202 0.000 1.154 601 N CA -0.230 52.901 53.050 0.134 0.000 0.866 601 N CB 0.267 38.727 38.487 -0.044 0.000 1.093 601 N HN 0.286 nan 8.380 nan 0.000 0.515 602 E N 0.956 121.228 120.200 0.119 0.000 2.338 602 E HA 0.315 4.666 4.350 0.001 0.000 0.272 602 E C -0.575 175.942 176.600 -0.138 0.000 1.029 602 E CA -0.434 55.970 56.400 0.006 0.000 0.872 602 E CB 0.771 30.446 29.700 -0.042 0.000 1.015 602 E HN 0.224 nan 8.360 nan 0.000 0.417 603 L N 3.171 124.275 121.223 -0.198 0.000 2.299 603 L HA 0.576 4.916 4.340 0.001 0.000 0.268 603 L C -0.698 175.906 176.870 -0.444 0.000 1.012 603 L CA -1.099 53.622 54.840 -0.199 0.000 0.816 603 L CB 0.924 42.926 42.059 -0.095 0.000 1.355 603 L HN 0.555 nan 8.230 nan 0.000 0.457 604 F N 0.823 120.789 119.950 0.028 0.000 2.547 604 F HA 0.535 5.062 4.527 0.001 0.000 0.316 604 F C -0.382 175.436 175.800 0.030 0.000 1.121 604 F CA -0.419 57.604 58.000 0.038 0.000 0.911 604 F CB 1.971 40.994 39.000 0.038 0.000 1.179 604 F HN 0.143 nan 8.300 nan 0.000 0.443 605 L N 3.837 125.176 121.223 0.194 0.000 2.317 605 L HA 0.771 5.112 4.340 0.001 0.000 0.281 605 L C -0.900 176.065 176.870 0.158 0.000 1.024 605 L CA -0.743 54.179 54.840 0.138 0.000 0.810 605 L CB 1.331 43.455 42.059 0.107 0.000 1.240 605 L HN 0.679 nan 8.230 nan 0.000 0.427 606 R N 4.340 124.924 120.500 0.140 0.000 2.513 606 R HA 0.559 4.900 4.340 0.001 0.000 0.301 606 R C -1.578 174.805 176.300 0.139 0.000 0.968 606 R CA -0.448 55.737 56.100 0.141 0.000 0.872 606 R CB 1.236 31.621 30.300 0.141 0.000 1.177 606 R HN 0.693 nan 8.270 nan 0.000 0.444 607 L N 3.902 125.211 121.223 0.144 0.000 2.426 607 L HA 0.317 4.657 4.340 0.001 0.000 0.271 607 L C -0.285 176.678 176.870 0.155 0.000 1.169 607 L CA -0.661 54.270 54.840 0.151 0.000 0.836 607 L CB 1.178 43.335 42.059 0.163 0.000 1.112 607 L HN 0.342 nan 8.230 nan 0.000 0.465 608 V N 2.017 122.022 119.914 0.151 0.000 2.350 608 V HA 0.388 4.508 4.120 0.001 0.000 0.276 608 V C 0.361 176.553 176.094 0.162 0.000 1.028 608 V CA -0.411 61.993 62.300 0.175 0.000 0.860 608 V CB 1.425 33.397 31.823 0.248 0.000 0.990 608 V HN 0.928 nan 8.190 nan 0.000 0.453 609 T N 1.134 115.791 114.554 0.171 0.000 2.924 609 T HA 0.529 4.880 4.350 0.001 0.000 0.291 609 T C 0.010 174.835 174.700 0.208 0.000 1.045 609 T CA -0.650 61.560 62.100 0.183 0.000 1.015 609 T CB 1.788 70.765 68.868 0.181 0.000 1.103 609 T HN 0.528 nan 8.240 nan 0.000 0.496 610 S N 0.721 116.560 115.700 0.231 0.000 2.537 610 S HA 0.222 4.692 4.470 0.001 0.000 0.286 610 S C 1.394 176.089 174.600 0.157 0.000 1.299 610 S CA 0.127 58.487 58.200 0.266 0.000 1.067 610 S CB -0.109 63.246 63.200 0.258 0.000 0.864 610 S HN 1.001 nan 8.310 nan 0.000 0.494 611 T N 3.049 117.658 114.554 0.091 0.000 3.122 611 T HA 0.347 4.698 4.350 0.001 0.000 0.250 611 T C 0.412 174.996 174.700 -0.193 0.000 1.067 611 T CA -0.359 61.730 62.100 -0.018 0.000 0.966 611 T CB -0.032 68.857 68.868 0.036 0.000 1.002 611 T HN 0.422 nan 8.240 nan 0.000 0.542 612 R N -0.089 120.216 120.500 -0.324 0.000 2.750 612 R HA 0.752 5.093 4.340 0.001 0.000 0.281 612 R C 0.938 177.184 176.300 -0.089 0.000 0.972 612 R CA -0.221 55.695 56.100 -0.306 0.000 0.912 612 R CB 1.500 31.434 30.300 -0.610 0.000 1.187 612 R HN 0.129 nan 8.270 nan 0.000 0.464 613 A N 0.913 123.716 122.820 -0.028 0.000 1.930 613 A HA -0.084 4.237 4.320 0.001 0.000 0.217 613 A C 0.429 178.090 177.584 0.128 0.000 1.175 613 A CA 1.359 53.419 52.037 0.038 0.000 0.627 613 A CB -0.059 18.956 19.000 0.025 0.000 0.815 613 A HN 0.708 nan 8.150 nan 0.000 0.443 614 H N -2.026 117.035 119.070 -0.016 0.000 3.278 614 H HA 0.508 5.064 4.556 0.001 0.000 0.326 614 H C -1.266 174.077 175.328 0.026 0.000 1.113 614 H CA -0.146 55.914 56.048 0.020 0.000 1.553 614 H CB 0.796 30.563 29.762 0.008 0.000 1.997 614 H HN 0.472 nan 8.280 nan 0.000 0.456 615 A N 4.355 127.217 122.820 0.070 0.000 2.612 615 A HA 0.394 4.715 4.320 0.001 0.000 0.293 615 A C -1.334 176.311 177.584 0.102 0.000 1.075 615 A CA -1.073 50.984 52.037 0.034 0.000 0.680 615 A CB 1.730 20.797 19.000 0.113 0.000 1.279 615 A HN 0.554 nan 8.150 nan 0.000 0.411 616 K N 1.097 121.539 120.400 0.069 0.000 2.270 616 K HA 0.510 4.831 4.320 0.001 0.000 0.276 616 K C -0.776 175.894 176.600 0.116 0.000 1.023 616 K CA -0.073 56.260 56.287 0.076 0.000 0.955 616 K CB 0.965 33.485 32.500 0.033 0.000 0.975 616 K HN 0.524 nan 8.250 nan 0.000 0.471 617 I N 3.677 124.286 120.570 0.066 0.000 2.337 617 I HA -0.002 4.168 4.170 0.001 0.000 0.291 617 I C 1.163 177.250 176.117 -0.050 0.000 1.046 617 I CA -0.284 60.996 61.300 -0.035 0.000 1.324 617 I CB 0.724 38.697 38.000 -0.045 0.000 1.409 617 I HN 0.497 nan 8.210 nan 0.000 0.494 618 K N 3.716 124.063 120.400 -0.088 0.000 2.128 618 K HA 0.142 4.462 4.320 0.001 0.000 0.202 618 K C 0.572 177.128 176.600 -0.074 0.000 1.050 618 K CA 0.648 56.900 56.287 -0.058 0.000 0.966 618 K CB 0.105 32.578 32.500 -0.045 0.000 0.759 618 K HN 0.750 nan 8.250 nan 0.000 0.454 619 S N -0.642 114.986 115.700 -0.120 0.000 2.588 619 S HA 0.637 5.107 4.470 0.001 0.000 0.269 619 S C -0.929 173.572 174.600 -0.164 0.000 1.157 619 S CA -1.027 57.106 58.200 -0.113 0.000 0.824 619 S CB 1.448 64.591 63.200 -0.094 0.000 1.126 619 S HN 0.016 nan 8.310 nan 0.000 0.464 620 I N 1.593 122.073 120.570 -0.150 0.000 2.478 620 I HA 0.430 4.600 4.170 0.001 0.000 0.287 620 I C -1.615 174.369 176.117 -0.221 0.000 1.042 620 I CA -0.366 60.806 61.300 -0.214 0.000 1.067 620 I CB 2.024 39.896 38.000 -0.213 0.000 1.233 620 I HN 0.734 nan 8.210 nan 0.000 0.431 621 D N 5.871 126.126 120.400 -0.242 0.000 2.381 621 D HA 0.334 4.974 4.640 0.001 0.000 0.235 621 D C 0.370 176.509 176.300 -0.268 0.000 1.068 621 D CA -0.514 53.360 54.000 -0.211 0.000 0.832 621 D CB 1.962 42.667 40.800 -0.157 0.000 1.101 621 D HN 0.327 nan 8.370 nan 0.000 0.515 622 V N 1.694 121.447 119.914 -0.269 0.000 3.542 622 V HA 0.137 4.258 4.120 0.001 0.000 0.296 622 V C 1.481 177.413 176.094 -0.271 0.000 1.364 622 V CA 0.591 62.708 62.300 -0.306 0.000 1.118 622 V CB -0.492 31.147 31.823 -0.307 0.000 0.972 622 V HN 0.466 nan 8.190 nan 0.000 0.430 623 S N -0.033 115.540 115.700 -0.212 0.000 2.406 623 S HA -0.071 4.400 4.470 0.001 0.000 0.228 623 S C 1.704 176.185 174.600 -0.198 0.000 1.020 623 S CA 1.038 59.123 58.200 -0.192 0.000 0.965 623 S CB -0.293 62.827 63.200 -0.134 0.000 0.798 623 S HN 0.599 nan 8.310 nan 0.000 0.488 624 E N 1.756 121.849 120.200 -0.180 0.000 2.158 624 E HA 0.134 4.485 4.350 0.001 0.000 0.191 624 E C 2.358 178.843 176.600 -0.192 0.000 0.982 624 E CA 0.966 57.272 56.400 -0.156 0.000 0.823 624 E CB -0.481 29.150 29.700 -0.116 0.000 0.766 624 E HN 0.635 nan 8.360 nan 0.000 0.468 625 A N 1.295 123.969 122.820 -0.243 0.000 1.902 625 A HA -0.218 4.103 4.320 0.001 0.000 0.217 625 A C 2.069 179.259 177.584 -0.657 0.000 1.181 625 A CA 1.319 53.193 52.037 -0.271 0.000 0.623 625 A CB -0.532 18.369 19.000 -0.166 0.000 0.818 625 A HN 0.204 nan 8.150 nan 0.000 0.443 626 Q N -0.381 118.865 119.800 -0.924 0.000 2.308 626 Q HA -0.179 4.162 4.340 0.001 0.000 0.209 626 Q C 1.625 177.331 176.000 -0.489 0.000 0.985 626 Q CA 1.616 56.767 55.803 -1.085 0.000 0.881 626 Q CB -0.162 28.219 28.738 -0.594 0.000 0.917 626 Q HN 0.649 nan 8.270 nan 0.000 0.443 627 K N -0.142 120.078 120.400 -0.301 0.000 2.356 627 K HA 0.098 4.418 4.320 0.001 0.000 0.195 627 K C 0.153 176.695 176.600 -0.097 0.000 1.037 627 K CA -0.047 56.149 56.287 -0.153 0.000 1.014 627 K CB 0.633 33.063 32.500 -0.117 0.000 0.815 627 K HN -0.047 nan 8.250 nan 0.000 0.507 628 V N 4.202 124.066 119.914 -0.083 0.000 2.599 628 V HA -0.002 4.119 4.120 0.001 0.000 0.300 628 V C -2.156 173.891 176.094 -0.078 0.000 1.034 628 V CA -1.227 61.052 62.300 -0.034 0.000 1.115 628 V CB 0.200 32.054 31.823 0.052 0.000 0.934 628 V HN 0.074 nan 8.190 nan 0.000 0.485 629 P HA 0.196 nan 4.420 nan 0.000 0.267 629 P C 0.969 177.959 177.300 -0.517 0.000 1.200 629 P CA 1.248 64.147 63.100 -0.335 0.000 0.772 629 P CB 0.522 31.984 31.700 -0.397 0.000 0.855 630 G N 1.459 110.139 108.800 -0.201 0.000 2.189 630 G HA2 -0.315 3.646 3.960 0.001 0.000 0.267 630 G HA3 -0.315 3.646 3.960 0.001 0.000 0.267 630 G C 0.188 175.132 174.900 0.074 0.000 0.975 630 G CA -0.132 44.956 45.100 -0.019 0.000 0.644 630 G HN 0.575 nan 8.290 nan 0.000 0.537 631 F N 0.586 120.509 119.950 -0.045 0.000 2.602 631 F HA 0.390 4.917 4.527 0.001 0.000 0.367 631 F C 1.281 177.090 175.800 0.015 0.000 1.126 631 F CA 0.993 58.999 58.000 0.010 0.000 1.321 631 F CB 0.919 39.917 39.000 -0.002 0.000 1.094 631 F HN -0.071 nan 8.300 nan 0.000 0.594 632 V N 3.703 123.156 119.914 -0.769 0.000 2.948 632 V HA 0.119 4.239 4.120 0.001 0.000 0.234 632 V C 0.171 175.842 176.094 -0.705 0.000 1.205 632 V CA 0.991 62.975 62.300 -0.526 0.000 1.234 632 V CB 0.577 32.212 31.823 -0.313 0.000 1.020 632 V HN 1.071 nan 8.190 nan 0.000 0.491 633 C N -1.623 117.050 119.300 -1.045 0.000 3.292 633 C HA 0.698 5.159 4.460 0.001 0.000 0.338 633 C C -1.329 173.502 174.990 -0.265 0.000 1.323 633 C CA -1.341 57.396 59.018 -0.469 0.000 1.232 633 C CB 0.819 28.459 27.740 -0.166 0.000 1.517 633 C HN 0.342 nan 8.230 nan 0.000 0.470 634 F N 1.804 121.787 119.950 0.055 0.000 2.458 634 F HA 0.845 5.372 4.527 0.001 0.000 0.336 634 F C -0.922 174.867 175.800 -0.018 0.000 1.114 634 F CA -1.121 56.916 58.000 0.063 0.000 0.987 634 F CB 0.890 39.992 39.000 0.170 0.000 1.130 634 F HN 0.732 nan 8.300 nan 0.000 0.458 635 L N 5.547 126.244 121.223 -0.877 0.000 2.325 635 L HA 0.719 5.059 4.340 0.001 0.000 0.278 635 L C -0.333 175.775 176.870 -1.270 0.000 1.023 635 L CA -0.561 53.859 54.840 -0.700 0.000 0.811 635 L CB 1.915 43.787 42.059 -0.312 0.000 1.249 635 L HN 0.848 nan 8.230 nan 0.000 0.431 636 S N 0.474 115.771 115.700 -0.671 0.000 2.705 636 S HA 0.585 5.055 4.470 0.001 0.000 0.280 636 S C 0.628 175.271 174.600 0.071 0.000 1.174 636 S CA -0.174 57.703 58.200 -0.537 0.000 0.823 636 S CB 1.322 64.395 63.200 -0.212 0.000 1.162 636 S HN 0.647 nan 8.310 nan 0.000 0.487 637 A N 0.927 123.867 122.820 0.199 0.000 1.954 637 A HA -0.222 4.099 4.320 0.001 0.000 0.222 637 A C 1.535 179.201 177.584 0.136 0.000 1.199 637 A CA 2.509 54.685 52.037 0.231 0.000 0.657 637 A CB -1.429 17.660 19.000 0.148 0.000 0.823 637 A HN 0.824 nan 8.150 nan 0.000 0.463 638 D N -0.170 120.287 120.400 0.095 0.000 2.310 638 D HA -0.077 4.563 4.640 0.001 0.000 0.212 638 D C 1.100 177.446 176.300 0.077 0.000 0.965 638 D CA 0.952 54.995 54.000 0.072 0.000 0.879 638 D CB -0.308 40.530 40.800 0.062 0.000 0.921 638 D HN 0.501 nan 8.370 nan 0.000 0.510 639 D N 0.002 120.461 120.400 0.098 0.000 2.347 639 D HA 0.022 4.663 4.640 0.001 0.000 0.213 639 D C 0.761 177.128 176.300 0.112 0.000 0.985 639 D CA 0.046 54.111 54.000 0.110 0.000 0.879 639 D CB 0.825 41.689 40.800 0.107 0.000 0.919 639 D HN 0.254 nan 8.370 nan 0.000 0.526 640 I N 2.864 123.478 120.570 0.072 0.000 2.556 640 I HA -0.024 4.146 4.170 0.001 0.000 0.284 640 I C -1.050 175.035 176.117 -0.052 0.000 1.114 640 I CA -1.032 60.259 61.300 -0.015 0.000 1.418 640 I CB 1.352 39.322 38.000 -0.049 0.000 1.394 640 I HN -0.149 nan 8.210 nan 0.000 0.552 641 P HA 0.102 nan 4.420 nan 0.000 0.234 641 P C 0.742 177.961 177.300 -0.134 0.000 1.175 641 P CA 0.485 63.498 63.100 -0.147 0.000 0.801 641 P CB 0.645 32.142 31.700 -0.338 0.000 0.891 642 G N 0.148 108.852 108.800 -0.159 0.000 3.374 642 G HA2 0.252 4.213 3.960 0.001 0.000 0.200 642 G HA3 0.252 4.213 3.960 0.001 0.000 0.200 642 G C -0.533 174.312 174.900 -0.092 0.000 1.801 642 G CA 0.063 45.090 45.100 -0.120 0.000 0.842 642 G HN 0.241 nan 8.290 nan 0.000 0.688 643 S N -0.294 115.347 115.700 -0.099 0.000 2.475 643 S HA 0.298 4.768 4.470 0.001 0.000 0.298 643 S C 0.470 175.008 174.600 -0.103 0.000 1.119 643 S CA -0.581 57.567 58.200 -0.087 0.000 1.085 643 S CB 1.434 64.581 63.200 -0.088 0.000 1.028 643 S HN 0.368 nan 8.310 nan 0.000 0.489 644 N N 3.016 121.669 118.700 -0.077 0.000 2.461 644 N HA 0.023 4.764 4.740 0.001 0.000 0.188 644 N C 0.067 175.525 175.510 -0.086 0.000 1.134 644 N CA 0.126 53.129 53.050 -0.079 0.000 0.878 644 N CB 0.141 38.612 38.487 -0.026 0.000 0.972 644 N HN 0.817 nan 8.380 nan 0.000 0.456 645 E N -0.093 120.048 120.200 -0.099 0.000 2.146 645 E HA 0.239 4.589 4.350 0.001 0.000 0.282 645 E C -0.723 175.756 176.600 -0.201 0.000 0.989 645 E CA -0.223 56.113 56.400 -0.106 0.000 0.799 645 E CB 0.902 30.558 29.700 -0.074 0.000 1.088 645 E HN 0.013 nan 8.360 nan 0.000 0.397 646 T N 2.263 116.670 114.554 -0.245 0.000 2.626 646 T HA 0.758 5.109 4.350 0.001 0.000 0.279 646 T C -0.612 173.822 174.700 -0.444 0.000 0.983 646 T CA 0.398 62.208 62.100 -0.483 0.000 1.059 646 T CB 1.147 69.729 68.868 -0.477 0.000 1.396 646 T HN 0.954 nan 8.240 nan 0.000 0.519 647 G N 0.477 108.892 108.800 -0.643 0.000 2.692 647 G HA2 -0.038 3.922 3.960 0.001 0.000 0.686 647 G HA3 -0.038 3.922 3.960 0.001 0.000 0.686 647 G C 0.223 175.105 174.900 -0.030 0.000 1.243 647 G CA -0.128 44.870 45.100 -0.169 0.000 0.782 647 G HN 0.979 nan 8.290 nan 0.000 0.625 648 L N 0.428 121.797 121.223 0.244 0.000 2.081 648 L HA 0.184 4.525 4.340 0.001 0.000 0.212 648 L C 2.015 178.761 176.870 -0.207 0.000 1.080 648 L CA 2.410 57.343 54.840 0.155 0.000 0.754 648 L CB -0.402 41.755 42.059 0.164 0.000 0.893 648 L HN 0.575 nan 8.230 nan 0.000 0.433 649 F N -0.806 119.167 119.950 0.037 0.000 2.708 649 F HA 0.264 4.792 4.527 0.001 0.000 0.300 649 F C 1.076 176.856 175.800 -0.032 0.000 1.118 649 F CA -0.289 57.710 58.000 -0.001 0.000 1.307 649 F CB -0.670 38.314 39.000 -0.028 0.000 0.986 649 F HN 0.073 nan 8.300 nan 0.000 0.522 650 N N 0.288 119.000 118.700 0.021 0.000 2.741 650 N HA -0.243 4.497 4.740 0.001 0.000 0.250 650 N C 0.316 175.829 175.510 0.005 0.000 1.115 650 N CA 0.685 53.712 53.050 -0.038 0.000 0.724 650 N CB -0.688 37.780 38.487 -0.032 0.000 1.090 650 N HN 0.212 nan 8.380 nan 0.000 0.558 651 D N 0.227 120.647 120.400 0.033 0.000 2.348 651 D HA 0.093 4.734 4.640 0.001 0.000 0.211 651 D C 0.242 176.560 176.300 0.030 0.000 0.998 651 D CA 0.989 55.014 54.000 0.042 0.000 0.873 651 D CB 0.374 41.198 40.800 0.040 0.000 0.925 651 D HN 0.511 nan 8.370 nan 0.000 0.524 652 E N -1.172 119.030 120.200 0.004 0.000 2.392 652 E HA 0.406 4.756 4.350 0.001 0.000 0.269 652 E C -0.538 176.076 176.600 0.025 0.000 0.924 652 E CA -0.774 55.642 56.400 0.027 0.000 0.784 652 E CB 1.889 31.593 29.700 0.006 0.000 1.292 652 E HN -0.055 nan 8.360 nan 0.000 0.447 653 T N -2.153 112.460 114.554 0.097 0.000 2.929 653 T HA 0.286 4.636 4.350 0.001 0.000 0.284 653 T C 0.925 175.637 174.700 0.019 0.000 1.014 653 T CA -0.786 61.352 62.100 0.063 0.000 1.051 653 T CB 1.358 70.299 68.868 0.121 0.000 1.028 653 T HN 0.161 nan 8.240 nan 0.000 0.485 654 V N 0.482 120.343 119.914 -0.089 0.000 2.323 654 V HA 0.171 4.292 4.120 0.001 0.000 0.244 654 V C 0.389 176.335 176.094 -0.247 0.000 1.041 654 V CA 1.048 63.206 62.300 -0.237 0.000 1.025 654 V CB -0.595 30.986 31.823 -0.402 0.000 0.656 654 V HN 0.842 nan 8.190 nan 0.000 0.451 655 F N -0.528 119.414 119.950 -0.013 0.000 2.482 655 F HA 0.687 5.215 4.527 0.001 0.000 0.331 655 F C 0.456 176.225 175.800 -0.053 0.000 1.115 655 F CA -1.025 56.955 58.000 -0.034 0.000 0.955 655 F CB 1.156 40.126 39.000 -0.050 0.000 1.136 655 F HN 0.023 nan 8.300 nan 0.000 0.452 656 A N 4.049 126.899 122.820 0.050 0.000 2.567 656 A HA 0.130 4.451 4.320 0.001 0.000 0.240 656 A C -0.205 177.387 177.584 0.014 0.000 1.053 656 A CA 0.235 52.205 52.037 -0.112 0.000 0.755 656 A CB 0.117 18.858 19.000 -0.431 0.000 0.978 656 A HN 0.785 nan 8.150 nan 0.000 0.507 657 K N 2.249 122.674 120.400 0.042 0.000 2.376 657 K HA 0.438 4.758 4.320 0.001 0.000 0.257 657 K C -0.445 176.189 176.600 0.057 0.000 0.939 657 K CA -0.386 55.934 56.287 0.054 0.000 0.809 657 K CB 0.814 33.351 32.500 0.061 0.000 1.121 657 K HN 0.782 nan 8.250 nan 0.000 0.425 658 D N -0.095 120.333 120.400 0.047 0.000 3.671 658 D HA -0.216 4.425 4.640 0.001 0.000 0.204 658 D C -0.022 176.322 176.300 0.072 0.000 1.267 658 D CA 2.424 56.455 54.000 0.052 0.000 2.305 658 D CB -0.909 39.926 40.800 0.057 0.000 1.237 658 D HN 0.709 nan 8.370 nan 0.000 0.443 659 T N -1.453 113.165 114.554 0.106 0.000 2.909 659 T HA 0.607 4.958 4.350 0.001 0.000 0.299 659 T C -0.320 174.509 174.700 0.216 0.000 1.073 659 T CA -0.367 61.828 62.100 0.159 0.000 0.999 659 T CB 2.550 71.523 68.868 0.176 0.000 1.098 659 T HN 0.460 nan 8.240 nan 0.000 0.477 660 V N 1.398 121.482 119.914 0.285 0.000 2.427 660 V HA 0.773 4.893 4.120 0.001 0.000 0.286 660 V C 0.815 177.189 176.094 0.468 0.000 1.034 660 V CA -0.045 62.498 62.300 0.406 0.000 0.893 660 V CB 0.835 32.866 31.823 0.346 0.000 0.982 660 V HN 1.189 nan 8.190 nan 0.000 0.452 661 T N -0.435 114.419 114.554 0.500 0.000 3.228 661 T HA 0.444 4.794 4.350 0.001 0.000 0.278 661 T C 0.148 174.849 174.700 0.002 0.000 1.014 661 T CA 0.279 62.457 62.100 0.130 0.000 0.904 661 T CB -0.753 68.093 68.868 -0.036 0.000 1.110 661 T HN 1.706 nan 8.240 nan 0.000 0.541 662 C N -1.106 118.254 119.300 0.100 0.000 3.275 662 C HA 0.690 5.151 4.460 0.001 0.000 0.345 662 C C -0.534 174.525 174.990 0.114 0.000 1.257 662 C CA -1.224 57.828 59.018 0.056 0.000 1.203 662 C CB 0.761 28.499 27.740 -0.004 0.000 1.492 662 C HN 0.162 nan 8.230 nan 0.000 0.484 663 V N 2.888 122.850 119.914 0.081 0.000 2.485 663 V HA 0.525 4.646 4.120 0.001 0.000 0.287 663 V C 1.556 177.726 176.094 0.127 0.000 1.022 663 V CA 2.293 64.648 62.300 0.092 0.000 1.067 663 V CB 0.305 32.171 31.823 0.071 0.000 0.967 663 V HN 2.348 nan 8.190 nan 0.000 0.479 664 G N 3.179 112.073 108.800 0.157 0.000 2.179 664 G HA2 -0.224 3.737 3.960 0.001 0.000 0.220 664 G HA3 -0.224 3.737 3.960 0.001 0.000 0.220 664 G C 0.189 175.227 174.900 0.229 0.000 0.990 664 G CA 0.136 45.338 45.100 0.170 0.000 0.646 664 G HN 0.892 nan 8.290 nan 0.000 0.517 665 H N 0.500 119.645 119.070 0.124 0.000 2.848 665 H HA 0.453 5.010 4.556 0.001 0.000 0.317 665 H C 0.662 176.088 175.328 0.162 0.000 1.046 665 H CA -0.579 55.550 56.048 0.134 0.000 1.470 665 H CB 0.309 30.151 29.762 0.135 0.000 1.483 665 H HN 0.240 nan 8.280 nan 0.000 0.548 666 I N 7.160 127.921 120.570 0.318 0.000 2.452 666 I HA -0.090 4.080 4.170 0.001 0.000 0.287 666 I C 0.845 177.039 176.117 0.128 0.000 1.079 666 I CA 0.293 61.728 61.300 0.225 0.000 1.387 666 I CB 0.831 39.009 38.000 0.296 0.000 1.404 666 I HN 0.685 nan 8.210 nan 0.000 0.522 667 I N 4.299 124.924 120.570 0.092 0.000 3.172 667 I HA 0.284 4.455 4.170 0.001 0.000 0.278 667 I C 1.223 177.240 176.117 -0.167 0.000 1.174 667 I CA 0.295 61.608 61.300 0.023 0.000 1.445 667 I CB 0.252 38.290 38.000 0.064 0.000 1.175 667 I HN 0.743 nan 8.210 nan 0.000 0.447 668 G N 0.132 108.761 108.800 -0.285 0.000 2.634 668 G HA2 0.771 4.731 3.960 0.001 0.000 0.309 668 G HA3 0.771 4.731 3.960 0.001 0.000 0.309 668 G C -2.041 172.493 174.900 -0.610 0.000 1.299 668 G CA 0.078 44.649 45.100 -0.882 0.000 0.798 668 G HN 0.193 nan 8.290 nan 0.000 0.490 669 A N -1.277 121.136 122.820 -0.680 0.000 2.566 669 A HA 0.714 5.035 4.320 0.001 0.000 0.297 669 A C -1.382 176.143 177.584 -0.098 0.000 1.059 669 A CA -0.395 51.531 52.037 -0.184 0.000 0.691 669 A CB 1.615 20.599 19.000 -0.027 0.000 1.282 669 A HN 1.454 nan 8.150 nan 0.000 0.401 670 V N 1.517 121.493 119.914 0.104 0.000 2.532 670 V HA 0.606 4.727 4.120 0.001 0.000 0.295 670 V C -0.257 175.848 176.094 0.019 0.000 1.041 670 V CA -0.424 61.949 62.300 0.121 0.000 0.926 670 V CB 1.654 33.627 31.823 0.250 0.000 0.992 670 V HN 0.726 nan 8.190 nan 0.000 0.457 671 V N 3.578 123.426 119.914 -0.110 0.000 2.540 671 V HA 0.949 5.069 4.120 0.001 0.000 0.302 671 V C 0.145 176.147 176.094 -0.154 0.000 1.035 671 V CA -0.134 62.111 62.300 -0.091 0.000 0.873 671 V CB 1.473 33.218 31.823 -0.131 0.000 0.992 671 V HN 1.108 nan 8.190 nan 0.000 0.428 672 A N 2.785 125.605 122.820 -0.000 0.000 2.567 672 A HA 0.674 4.995 4.320 0.001 0.000 0.289 672 A C 0.527 178.210 177.584 0.166 0.000 1.177 672 A CA 0.083 52.146 52.037 0.042 0.000 0.694 672 A CB 1.350 20.435 19.000 0.142 0.000 1.292 672 A HN 0.742 nan 8.150 nan 0.000 0.425 673 D N -0.294 120.224 120.400 0.197 0.000 2.224 673 D HA -0.003 4.637 4.640 0.001 0.000 0.205 673 D C 0.778 177.285 176.300 0.345 0.000 0.965 673 D CA 1.981 56.135 54.000 0.256 0.000 0.852 673 D CB -0.309 40.612 40.800 0.202 0.000 0.947 673 D HN 0.742 nan 8.370 nan 0.000 0.494 674 T N -4.429 110.239 114.554 0.190 0.000 2.916 674 T HA 0.450 4.801 4.350 0.001 0.000 0.292 674 T C -2.255 172.230 174.700 -0.359 0.000 1.064 674 T CA -1.629 60.338 62.100 -0.222 0.000 1.011 674 T CB 2.669 71.320 68.868 -0.363 0.000 1.152 674 T HN -0.321 nan 8.240 nan 0.000 0.510 675 P HA -0.005 nan 4.420 nan 0.000 0.217 675 P C 0.973 178.163 177.300 -0.183 0.000 1.151 675 P CA 1.103 63.965 63.100 -0.395 0.000 0.828 675 P CB 0.151 31.575 31.700 -0.460 0.000 0.788 676 E N -0.588 119.464 120.200 -0.248 0.000 2.077 676 E HA -0.194 4.156 4.350 0.001 0.000 0.193 676 E C 2.105 178.675 176.600 -0.050 0.000 0.989 676 E CA 1.298 57.598 56.400 -0.168 0.000 0.800 676 E CB -1.168 28.395 29.700 -0.229 0.000 0.746 676 E HN 0.533 nan 8.360 nan 0.000 0.452 677 H N -0.418 118.646 119.070 -0.010 0.000 2.387 677 H HA -0.019 4.538 4.556 0.001 0.000 0.299 677 H C 2.003 177.382 175.328 0.084 0.000 1.090 677 H CA 0.726 56.802 56.048 0.048 0.000 1.332 677 H CB 0.018 29.817 29.762 0.061 0.000 1.386 677 H HN 0.228 nan 8.280 nan 0.000 0.516 678 A N 1.012 123.943 122.820 0.185 0.000 1.877 678 A HA -0.239 4.082 4.320 0.001 0.000 0.216 678 A C 2.184 179.860 177.584 0.154 0.000 1.186 678 A CA 1.804 53.943 52.037 0.169 0.000 0.620 678 A CB -0.484 18.610 19.000 0.157 0.000 0.822 678 A HN 0.542 nan 8.150 nan 0.000 0.443 679 E N -0.298 119.964 120.200 0.104 0.000 2.058 679 E HA -0.240 4.111 4.350 0.001 0.000 0.194 679 E C 2.267 178.939 176.600 0.119 0.000 0.997 679 E CA 1.419 57.871 56.400 0.087 0.000 0.801 679 E CB -0.122 29.588 29.700 0.016 0.000 0.746 679 E HN 0.590 nan 8.360 nan 0.000 0.450 680 R N -0.003 120.569 120.500 0.120 0.000 2.073 680 R HA -0.099 4.242 4.340 0.001 0.000 0.234 680 R C 2.499 178.899 176.300 0.167 0.000 1.134 680 R CA 1.181 57.364 56.100 0.138 0.000 0.952 680 R CB -0.411 29.968 30.300 0.132 0.000 0.850 680 R HN 0.223 nan 8.270 nan 0.000 0.433 681 A N 1.272 124.202 122.820 0.184 0.000 1.892 681 A HA -0.202 4.119 4.320 0.001 0.000 0.218 681 A C 2.370 180.061 177.584 0.178 0.000 1.188 681 A CA 1.965 54.120 52.037 0.196 0.000 0.631 681 A CB -0.793 18.412 19.000 0.342 0.000 0.822 681 A HN 0.437 nan 8.150 nan 0.000 0.447 682 A N -1.615 121.323 122.820 0.197 0.000 1.930 682 A HA -0.205 4.116 4.320 0.001 0.000 0.217 682 A C 2.076 179.752 177.584 0.154 0.000 1.175 682 A CA 1.626 53.773 52.037 0.183 0.000 0.627 682 A CB -0.969 18.145 19.000 0.189 0.000 0.815 682 A HN 0.792 nan 8.150 nan 0.000 0.443 683 H N -1.064 118.047 119.070 0.069 0.000 2.456 683 H HA -0.019 4.538 4.556 0.001 0.000 0.296 683 H C 1.118 176.464 175.328 0.030 0.000 1.079 683 H CA 1.680 57.759 56.048 0.052 0.000 1.322 683 H CB 0.260 30.047 29.762 0.042 0.000 1.388 683 H HN 0.253 nan 8.280 nan 0.000 0.538 684 V N 1.448 121.316 119.914 -0.076 0.000 3.483 684 V HA 0.056 4.177 4.120 0.001 0.000 0.301 684 V C 0.236 176.252 176.094 -0.131 0.000 1.389 684 V CA 0.050 62.266 62.300 -0.139 0.000 1.101 684 V CB 0.700 32.490 31.823 -0.055 0.000 0.971 684 V HN 0.056 nan 8.190 nan 0.000 0.434 685 V N 2.203 122.050 119.914 -0.113 0.000 2.485 685 V HA 0.116 4.237 4.120 0.001 0.000 0.287 685 V C 0.280 176.269 176.094 -0.176 0.000 1.022 685 V CA 0.068 62.258 62.300 -0.183 0.000 1.067 685 V CB 0.989 32.689 31.823 -0.205 0.000 0.967 685 V HN 0.404 nan 8.190 nan 0.000 0.479 686 K N 5.489 125.769 120.400 -0.200 0.000 2.263 686 K HA 0.527 4.848 4.320 0.001 0.000 0.272 686 K C -1.055 175.425 176.600 -0.200 0.000 1.033 686 K CA -0.315 55.874 56.287 -0.163 0.000 0.884 686 K CB 1.260 33.675 32.500 -0.141 0.000 1.107 686 K HN 0.437 nan 8.250 nan 0.000 0.460 687 V N 3.606 123.397 119.914 -0.206 0.000 2.472 687 V HA 0.439 4.559 4.120 0.001 0.000 0.290 687 V C -0.202 175.652 176.094 -0.400 0.000 1.037 687 V CA -0.797 61.270 62.300 -0.389 0.000 0.908 687 V CB 1.754 33.185 31.823 -0.652 0.000 0.985 687 V HN 0.825 nan 8.190 nan 0.000 0.454 688 T N 4.556 118.874 114.554 -0.393 0.000 2.779 688 T HA 0.672 5.022 4.350 0.001 0.000 0.280 688 T C -1.033 173.512 174.700 -0.258 0.000 0.987 688 T CA -0.130 61.844 62.100 -0.209 0.000 0.966 688 T CB 0.501 69.300 68.868 -0.116 0.000 0.933 688 T HN 0.471 nan 8.240 nan 0.000 0.442 689 Y N 0.837 121.133 120.300 -0.007 0.000 2.549 689 Y HA 0.573 5.124 4.550 0.001 0.000 0.339 689 Y C 0.549 176.444 175.900 -0.008 0.000 1.053 689 Y CA -1.350 56.749 58.100 -0.002 0.000 1.105 689 Y CB 1.463 39.929 38.460 0.009 0.000 1.258 689 Y HN 0.487 nan 8.280 nan 0.000 0.478 690 E N 1.774 122.071 120.200 0.160 0.000 2.182 690 E HA 0.195 4.546 4.350 0.001 0.000 0.258 690 E C -1.400 175.227 176.600 0.046 0.000 0.879 690 E CA -0.781 55.666 56.400 0.077 0.000 0.754 690 E CB 0.805 30.527 29.700 0.037 0.000 1.162 690 E HN 0.592 nan 8.360 nan 0.000 0.419 691 D N 2.987 123.398 120.400 0.020 0.000 2.449 691 D HA 0.093 4.734 4.640 0.001 0.000 0.236 691 D C -0.029 176.223 176.300 -0.080 0.000 1.149 691 D CA 0.666 54.649 54.000 -0.029 0.000 0.878 691 D CB 0.841 41.625 40.800 -0.026 0.000 1.198 691 D HN 0.346 nan 8.370 nan 0.000 0.446 692 L N 2.231 123.352 121.223 -0.170 0.000 2.341 692 L HA 0.367 4.708 4.340 0.001 0.000 0.267 692 L C -2.161 174.636 176.870 -0.122 0.000 1.009 692 L CA -2.024 52.662 54.840 -0.256 0.000 0.819 692 L CB 2.080 43.731 42.059 -0.679 0.000 1.323 692 L HN 0.161 nan 8.230 nan 0.000 0.425 693 P HA 0.071 nan 4.420 nan 0.000 0.264 693 P C -1.024 176.378 177.300 0.171 0.000 1.193 693 P CA -0.072 63.054 63.100 0.044 0.000 0.763 693 P CB 0.869 32.588 31.700 0.032 0.000 0.810 694 A N 4.111 126.999 122.820 0.113 0.000 2.306 694 A HA 0.696 5.017 4.320 0.001 0.000 0.330 694 A C -0.152 177.436 177.584 0.006 0.000 1.146 694 A CA -0.842 51.254 52.037 0.098 0.000 0.827 694 A CB 0.648 19.685 19.000 0.062 0.000 1.178 694 A HN 0.524 nan 8.150 nan 0.000 0.490 695 I N 2.944 123.482 120.570 -0.053 0.000 2.466 695 I HA 0.212 4.383 4.170 0.001 0.000 0.279 695 I C -0.121 175.928 176.117 -0.113 0.000 1.033 695 I CA -0.233 61.010 61.300 -0.095 0.000 1.123 695 I CB 1.286 39.205 38.000 -0.134 0.000 1.237 695 I HN 0.573 nan 8.210 nan 0.000 0.460 696 I N 2.382 122.894 120.570 -0.098 0.000 2.947 696 I HA 0.051 4.222 4.170 0.001 0.000 0.263 696 I C 1.487 177.530 176.117 -0.122 0.000 1.130 696 I CA 0.975 62.208 61.300 -0.111 0.000 1.448 696 I CB -0.397 37.551 38.000 -0.087 0.000 1.222 696 I HN 0.492 nan 8.210 nan 0.000 0.453 697 T N -1.027 113.469 114.554 -0.097 0.000 2.902 697 T HA 0.472 4.823 4.350 0.001 0.000 0.280 697 T C 1.456 176.113 174.700 -0.073 0.000 0.992 697 T CA -0.488 61.565 62.100 -0.078 0.000 1.015 697 T CB 1.858 70.688 68.868 -0.062 0.000 1.044 697 T HN 0.065 nan 8.240 nan 0.000 0.520 698 I N 0.400 120.953 120.570 -0.029 0.000 2.185 698 I HA -0.212 3.959 4.170 0.001 0.000 0.246 698 I C 2.714 178.786 176.117 -0.075 0.000 1.088 698 I CA 1.655 62.945 61.300 -0.017 0.000 1.347 698 I CB -0.415 37.623 38.000 0.062 0.000 1.041 698 I HN 0.754 nan 8.210 nan 0.000 0.415 699 E N 0.972 121.126 120.200 -0.076 0.000 2.017 699 E HA -0.223 4.128 4.350 0.001 0.000 0.193 699 E C 1.812 178.351 176.600 -0.103 0.000 0.997 699 E CA 1.500 57.843 56.400 -0.094 0.000 0.804 699 E CB -0.134 29.521 29.700 -0.075 0.000 0.757 699 E HN 0.357 nan 8.360 nan 0.000 0.448 700 D N -0.166 120.176 120.400 -0.097 0.000 2.149 700 D HA -0.237 4.403 4.640 0.001 0.000 0.194 700 D C 1.721 177.929 176.300 -0.154 0.000 1.001 700 D CA 1.663 55.600 54.000 -0.105 0.000 0.849 700 D CB -0.354 40.388 40.800 -0.097 0.000 0.939 700 D HN 0.264 nan 8.370 nan 0.000 0.449 701 A N 0.160 122.862 122.820 -0.196 0.000 1.929 701 A HA -0.049 4.272 4.320 0.001 0.000 0.216 701 A C 2.396 179.711 177.584 -0.449 0.000 1.176 701 A CA 0.549 52.389 52.037 -0.327 0.000 0.628 701 A CB -0.534 18.272 19.000 -0.322 0.000 0.816 701 A HN 0.157 nan 8.150 nan 0.000 0.444 702 I N -0.148 120.264 120.570 -0.264 0.000 2.127 702 I HA -0.285 3.886 4.170 0.001 0.000 0.241 702 I C 2.469 178.535 176.117 -0.086 0.000 1.075 702 I CA 2.021 63.261 61.300 -0.101 0.000 1.334 702 I CB -0.137 37.830 38.000 -0.055 0.000 1.040 702 I HN 0.374 nan 8.210 nan 0.000 0.405 703 K N 0.705 121.047 120.400 -0.095 0.000 2.280 703 K HA -0.129 4.191 4.320 0.001 0.000 0.202 703 K C 1.263 177.817 176.600 -0.076 0.000 1.047 703 K CA 1.472 57.721 56.287 -0.064 0.000 0.942 703 K CB 0.000 32.464 32.500 -0.061 0.000 0.739 703 K HN 0.308 nan 8.250 nan 0.000 0.457 704 N N 0.829 119.446 118.700 -0.139 0.000 2.204 704 N HA -0.027 4.713 4.740 0.001 0.000 0.219 704 N C -0.645 174.762 175.510 -0.173 0.000 1.151 704 N CA 0.077 53.046 53.050 -0.135 0.000 0.867 704 N CB 0.445 38.847 38.487 -0.142 0.000 1.043 704 N HN 0.211 nan 8.380 nan 0.000 0.516 705 N N 0.874 119.451 118.700 -0.205 0.000 2.727 705 N HA -0.196 4.545 4.740 0.001 0.000 0.249 705 N C -1.065 174.203 175.510 -0.403 0.000 1.048 705 N CA 0.365 53.307 53.050 -0.179 0.000 0.714 705 N CB -1.256 37.251 38.487 0.035 0.000 0.959 705 N HN 0.009 nan 8.380 nan 0.000 0.544 706 S N 1.100 116.323 115.700 -0.794 0.000 2.567 706 S HA 0.593 5.063 4.470 0.001 0.000 0.262 706 S C -0.767 173.358 174.600 -0.792 0.000 1.237 706 S CA -0.549 57.283 58.200 -0.612 0.000 1.093 706 S CB -0.282 62.652 63.200 -0.443 0.000 1.095 706 S HN 0.295 nan 8.310 nan 0.000 0.489 707 F N 2.205 122.038 119.950 -0.195 0.000 2.593 707 F HA 0.489 5.016 4.527 0.001 0.000 0.320 707 F C -0.566 175.079 175.800 -0.258 0.000 1.060 707 F CA -1.238 56.650 58.000 -0.188 0.000 0.940 707 F CB 1.384 40.345 39.000 -0.065 0.000 1.268 707 F HN 0.299 nan 8.300 nan 0.000 0.475 708 Y N 1.266 121.667 120.300 0.168 0.000 2.341 708 Y HA 0.496 5.047 4.550 0.001 0.000 0.340 708 Y C 0.837 176.768 175.900 0.052 0.000 0.997 708 Y CA -0.017 58.118 58.100 0.058 0.000 1.149 708 Y CB 0.962 39.419 38.460 -0.005 0.000 1.171 708 Y HN 0.890 nan 8.280 nan 0.000 0.494 709 G N 2.139 111.043 108.800 0.174 0.000 2.601 709 G HA2 -0.173 3.788 3.960 0.001 0.000 0.252 709 G HA3 -0.173 3.788 3.960 0.001 0.000 0.252 709 G C -0.323 174.612 174.900 0.058 0.000 1.294 709 G CA -0.233 44.921 45.100 0.091 0.000 0.912 709 G HN 1.040 nan 8.290 nan 0.000 0.574 710 S N -1.129 114.578 115.700 0.012 0.000 2.677 710 S HA 0.687 5.158 4.470 0.001 0.000 0.304 710 S C -0.028 174.509 174.600 -0.106 0.000 1.108 710 S CA 0.448 58.618 58.200 -0.049 0.000 0.944 710 S CB 2.124 65.306 63.200 -0.030 0.000 1.127 710 S HN 1.289 nan 8.310 nan 0.000 0.511 711 E N 0.159 120.260 120.200 -0.164 0.000 2.452 711 E HA 0.183 4.533 4.350 0.001 0.000 0.261 711 E C -1.060 175.440 176.600 -0.166 0.000 0.987 711 E CA -0.157 56.121 56.400 -0.202 0.000 0.926 711 E CB 0.282 29.864 29.700 -0.197 0.000 0.934 711 E HN 0.545 nan 8.360 nan 0.000 0.452 712 L N 4.091 125.185 121.223 -0.216 0.000 2.344 712 L HA 0.529 4.870 4.340 0.001 0.000 0.272 712 L C -0.103 176.700 176.870 -0.111 0.000 1.035 712 L CA -0.451 54.240 54.840 -0.248 0.000 0.807 712 L CB 1.420 43.220 42.059 -0.431 0.000 1.237 712 L HN 0.588 nan 8.230 nan 0.000 0.442 713 K N 2.449 122.853 120.400 0.007 0.000 2.562 713 K HA 0.609 4.930 4.320 0.001 0.000 0.267 713 K C -1.978 174.787 176.600 0.274 0.000 0.938 713 K CA -0.537 55.821 56.287 0.118 0.000 0.840 713 K CB 1.860 34.405 32.500 0.075 0.000 1.390 713 K HN 0.519 nan 8.250 nan 0.000 0.428 714 I N 2.572 123.289 120.570 0.246 0.000 2.468 714 I HA 0.314 4.485 4.170 0.001 0.000 0.285 714 I C -1.023 175.222 176.117 0.214 0.000 1.039 714 I CA -0.656 60.799 61.300 0.258 0.000 1.074 714 I CB 2.040 40.202 38.000 0.270 0.000 1.228 714 I HN 0.669 nan 8.210 nan 0.000 0.436 715 E N 6.838 127.141 120.200 0.171 0.000 2.210 715 E HA 0.521 4.872 4.350 0.001 0.000 0.266 715 E C -1.285 175.384 176.600 0.115 0.000 0.883 715 E CA -0.779 55.698 56.400 0.129 0.000 0.761 715 E CB 2.351 32.108 29.700 0.095 0.000 1.156 715 E HN 0.528 nan 8.360 nan 0.000 0.412 716 K N 3.165 123.625 120.400 0.099 0.000 2.469 716 K HA 0.610 4.930 4.320 0.001 0.000 0.254 716 K C 0.027 176.646 176.600 0.032 0.000 0.939 716 K CA 0.098 56.428 56.287 0.073 0.000 0.812 716 K CB 1.580 34.138 32.500 0.096 0.000 1.301 716 K HN 0.712 nan 8.250 nan 0.000 0.433 717 G N 2.193 111.002 108.800 0.014 0.000 2.552 717 G HA2 -0.267 3.694 3.960 0.001 0.000 0.265 717 G HA3 -0.267 3.694 3.960 0.001 0.000 0.265 717 G C -1.074 173.819 174.900 -0.012 0.000 1.234 717 G CA 0.408 45.502 45.100 -0.010 0.000 0.944 717 G HN 0.740 nan 8.290 nan 0.000 0.568 718 D N 0.075 120.455 120.400 -0.033 0.000 2.473 718 D HA 0.508 5.149 4.640 0.001 0.000 0.253 718 D C 1.557 177.826 176.300 -0.051 0.000 1.233 718 D CA -0.532 53.453 54.000 -0.025 0.000 0.908 718 D CB 0.829 41.617 40.800 -0.020 0.000 1.170 718 D HN 0.331 nan 8.370 nan 0.000 0.558 719 L N 3.013 124.220 121.223 -0.027 0.000 2.093 719 L HA -0.069 4.272 4.340 0.001 0.000 0.208 719 L C 2.356 179.246 176.870 0.033 0.000 1.085 719 L CA 0.866 55.674 54.840 -0.053 0.000 0.755 719 L CB -0.021 42.082 42.059 0.074 0.000 0.904 719 L HN 0.378 nan 8.230 nan 0.000 0.435 720 K N 0.430 120.886 120.400 0.092 0.000 2.057 720 K HA -0.230 4.091 4.320 0.001 0.000 0.206 720 K C 2.250 178.897 176.600 0.078 0.000 1.050 720 K CA 1.340 57.705 56.287 0.130 0.000 0.935 720 K CB 0.054 32.601 32.500 0.078 0.000 0.715 720 K HN 0.090 nan 8.250 nan 0.000 0.439 721 K N -0.080 120.331 120.400 0.019 0.000 2.026 721 K HA -0.117 4.203 4.320 0.001 0.000 0.208 721 K C 2.023 178.600 176.600 -0.039 0.000 1.048 721 K CA 1.650 57.933 56.287 -0.007 0.000 0.929 721 K CB -0.388 32.100 32.500 -0.019 0.000 0.713 721 K HN 0.254 nan 8.250 nan 0.000 0.439 722 G N 0.812 109.550 108.800 -0.103 0.000 2.514 722 G HA2 -0.272 3.688 3.960 0.001 0.000 0.217 722 G HA3 -0.272 3.688 3.960 0.001 0.000 0.217 722 G C 1.381 176.161 174.900 -0.200 0.000 1.198 722 G CA 1.066 46.041 45.100 -0.209 0.000 0.780 722 G HN 0.339 nan 8.290 nan 0.000 0.565 723 F N 1.687 121.609 119.950 -0.046 0.000 2.134 723 F HA -0.128 4.400 4.527 0.001 0.000 0.299 723 F C 3.233 178.999 175.800 -0.056 0.000 1.097 723 F CA 1.425 59.393 58.000 -0.054 0.000 1.264 723 F CB -0.091 38.880 39.000 -0.048 0.000 1.001 723 F HN 0.299 nan 8.300 nan 0.000 0.479 724 S N 0.355 116.129 115.700 0.124 0.000 2.419 724 S HA -0.228 4.243 4.470 0.001 0.000 0.233 724 S C 1.621 176.229 174.600 0.013 0.000 1.016 724 S CA 1.397 59.629 58.200 0.053 0.000 0.974 724 S CB -0.667 62.554 63.200 0.034 0.000 0.786 724 S HN 0.702 nan 8.310 nan 0.000 0.492 725 E N 0.909 121.105 120.200 -0.007 0.000 2.447 725 E HA 0.380 4.731 4.350 0.001 0.000 0.195 725 E C 0.692 177.265 176.600 -0.045 0.000 1.028 725 E CA 0.213 56.594 56.400 -0.030 0.000 0.876 725 E CB -0.119 29.558 29.700 -0.038 0.000 0.885 725 E HN 0.561 nan 8.360 nan 0.000 0.500 726 A N 1.994 124.787 122.820 -0.045 0.000 2.492 726 A HA 0.011 4.332 4.320 0.001 0.000 0.254 726 A C 0.379 177.896 177.584 -0.111 0.000 1.091 726 A CA -0.237 51.752 52.037 -0.080 0.000 0.768 726 A CB 0.336 19.302 19.000 -0.057 0.000 1.028 726 A HN 0.083 nan 8.150 nan 0.000 0.498 727 D N 1.211 121.521 120.400 -0.149 0.000 2.116 727 D HA -0.099 4.542 4.640 0.001 0.000 0.193 727 D C 0.280 176.424 176.300 -0.261 0.000 0.998 727 D CA 1.714 55.610 54.000 -0.173 0.000 0.836 727 D CB 0.026 40.731 40.800 -0.158 0.000 0.951 727 D HN 0.659 nan 8.370 nan 0.000 0.449 728 N N -0.812 117.588 118.700 -0.501 0.000 2.321 728 N HA 0.452 5.193 4.740 0.001 0.000 0.290 728 N C -1.096 174.066 175.510 -0.579 0.000 1.212 728 N CA -0.520 52.146 53.050 -0.639 0.000 0.767 728 N CB 3.046 40.948 38.487 -0.976 0.000 1.494 728 N HN -0.248 nan 8.380 nan 0.000 0.479 729 V N 1.039 120.810 119.914 -0.239 0.000 2.612 729 V HA 0.362 4.483 4.120 0.001 0.000 0.301 729 V C -0.662 175.502 176.094 0.118 0.000 1.059 729 V CA -0.722 61.590 62.300 0.019 0.000 0.886 729 V CB 2.170 33.989 31.823 -0.006 0.000 1.007 729 V HN 0.370 nan 8.190 nan 0.000 0.426 730 V N 4.366 124.452 119.914 0.287 0.000 2.495 730 V HA 0.767 4.887 4.120 0.001 0.000 0.298 730 V C 0.163 176.297 176.094 0.067 0.000 1.031 730 V CA -0.191 62.235 62.300 0.210 0.000 0.871 730 V CB 2.183 34.200 31.823 0.323 0.000 0.988 730 V HN 1.019 nan 8.190 nan 0.000 0.432 731 S N 3.396 119.050 115.700 -0.076 0.000 2.638 731 S HA 1.026 5.497 4.470 0.001 0.000 0.302 731 S C -0.234 174.102 174.600 -0.439 0.000 1.096 731 S CA -0.003 58.018 58.200 -0.299 0.000 0.953 731 S CB 2.435 65.481 63.200 -0.256 0.000 1.107 731 S HN 1.348 nan 8.310 nan 0.000 0.503 732 G N -0.126 108.134 108.800 -0.901 0.000 2.490 732 G HA2 0.535 4.495 3.960 0.001 0.000 0.308 732 G HA3 0.535 4.495 3.960 0.001 0.000 0.308 732 G C -2.081 172.568 174.900 -0.419 0.000 1.286 732 G CA -0.660 44.093 45.100 -0.579 0.000 0.825 732 G HN 0.888 nan 8.290 nan 0.000 0.479 733 E N -1.035 119.212 120.200 0.078 0.000 2.308 733 E HA 0.624 4.974 4.350 0.001 0.000 0.275 733 E C -2.030 174.805 176.600 0.392 0.000 0.890 733 E CA -0.690 55.857 56.400 0.245 0.000 0.754 733 E CB 2.564 32.344 29.700 0.134 0.000 1.207 733 E HN 0.454 nan 8.360 nan 0.000 0.426 734 L N 4.228 125.705 121.223 0.424 0.000 2.422 734 L HA 0.545 4.886 4.340 0.001 0.000 0.264 734 L C -2.039 175.081 176.870 0.417 0.000 0.984 734 L CA -0.640 54.428 54.840 0.379 0.000 0.819 734 L CB 1.765 43.982 42.059 0.264 0.000 1.330 734 L HN 0.629 nan 8.230 nan 0.000 0.410 735 Y N 5.087 125.552 120.300 0.275 0.000 2.391 735 Y HA 0.682 5.233 4.550 0.001 0.000 0.341 735 Y C -1.244 174.801 175.900 0.242 0.000 0.965 735 Y CA -0.803 57.446 58.100 0.248 0.000 1.067 735 Y CB 1.646 40.215 38.460 0.182 0.000 1.199 735 Y HN 0.612 nan 8.280 nan 0.000 0.450 736 I N 6.064 126.361 120.570 -0.456 0.000 2.418 736 I HA 0.642 4.813 4.170 0.001 0.000 0.287 736 I C 0.091 175.798 176.117 -0.682 0.000 1.008 736 I CA -0.518 60.516 61.300 -0.443 0.000 1.104 736 I CB 0.920 38.734 38.000 -0.310 0.000 1.264 736 I HN 0.841 nan 8.210 nan 0.000 0.438 737 G N 4.420 112.998 108.800 -0.371 0.000 2.634 737 G HA2 0.455 4.416 3.960 0.001 0.000 0.255 737 G HA3 0.455 4.416 3.960 0.001 0.000 0.255 737 G C 0.342 175.154 174.900 -0.147 0.000 1.205 737 G CA 0.024 45.039 45.100 -0.142 0.000 0.884 737 G HN 0.830 nan 8.290 nan 0.000 0.549 738 G N -1.592 107.185 108.800 -0.038 0.000 2.546 738 G HA2 0.505 4.465 3.960 0.001 0.000 0.239 738 G HA3 0.505 4.465 3.960 0.001 0.000 0.239 738 G C -0.251 174.579 174.900 -0.117 0.000 1.476 738 G CA -0.184 44.879 45.100 -0.062 0.000 1.064 738 G HN 0.737 nan 8.290 nan 0.000 0.561 739 Q N -1.250 118.486 119.800 -0.107 0.000 2.468 739 Q HA 0.223 4.564 4.340 0.001 0.000 0.263 739 Q C -2.258 173.782 176.000 0.067 0.000 0.979 739 Q CA -0.604 55.144 55.803 -0.091 0.000 0.932 739 Q CB 2.175 30.583 28.738 -0.550 0.000 1.462 739 Q HN 0.598 nan 8.270 nan 0.000 0.403 740 D N 0.154 120.589 120.400 0.058 0.000 2.256 740 D HA 0.206 4.847 4.640 0.001 0.000 0.250 740 D C 0.563 176.948 176.300 0.142 0.000 1.093 740 D CA 0.040 54.013 54.000 -0.045 0.000 0.882 740 D CB 0.901 41.462 40.800 -0.399 0.000 1.185 740 D HN 0.583 nan 8.370 nan 0.000 0.437 741 H N 2.850 121.873 119.070 -0.078 0.000 2.421 741 H HA -0.026 4.530 4.556 0.001 0.000 0.298 741 H C 0.509 175.626 175.328 -0.352 0.000 1.087 741 H CA 0.844 56.568 56.048 -0.540 0.000 1.330 741 H CB -0.230 29.099 29.762 -0.721 0.000 1.388 741 H HN 0.497 nan 8.280 nan 0.000 0.526 742 F N 0.998 120.712 119.950 -0.393 0.000 2.925 742 F HA -0.295 4.233 4.527 0.001 0.000 0.239 742 F C -0.592 175.104 175.800 -0.172 0.000 1.009 742 F CA -0.479 57.376 58.000 -0.241 0.000 0.847 742 F CB -1.664 37.356 39.000 0.034 0.000 0.719 742 F HN 0.155 nan 8.300 nan 0.000 0.826 743 Y N -0.763 119.664 120.300 0.212 0.000 2.712 743 Y HA 0.106 4.657 4.550 0.001 0.000 0.333 743 Y C 1.066 176.968 175.900 0.004 0.000 1.225 743 Y CA -1.122 57.118 58.100 0.233 0.000 1.499 743 Y CB 0.028 38.510 38.460 0.035 0.000 1.288 743 Y HN 0.093 nan 8.280 nan 0.000 0.575 744 L N 1.152 122.523 121.223 0.246 0.000 2.201 744 L HA -0.043 4.298 4.340 0.001 0.000 0.212 744 L C 0.969 177.784 176.870 -0.091 0.000 1.105 744 L CA 1.318 56.275 54.840 0.195 0.000 0.775 744 L CB -0.705 41.578 42.059 0.373 0.000 0.913 744 L HN 0.862 nan 8.230 nan 0.000 0.440 745 E N 0.676 120.517 120.200 -0.598 0.000 2.130 745 E HA 0.150 4.501 4.350 0.001 0.000 0.284 745 E C -0.032 176.306 176.600 -0.435 0.000 1.018 745 E CA -0.269 55.481 56.400 -1.083 0.000 0.817 745 E CB 0.960 29.809 29.700 -1.419 0.000 1.078 745 E HN 0.249 nan 8.360 nan 0.000 0.396 746 T N 1.461 115.874 114.554 -0.235 0.000 2.698 746 T HA 0.103 4.453 4.350 0.001 0.000 0.295 746 T C 0.628 175.142 174.700 -0.310 0.000 1.007 746 T CA -0.565 61.469 62.100 -0.110 0.000 0.980 746 T CB 0.404 69.309 68.868 0.062 0.000 1.036 746 T HN 0.435 nan 8.240 nan 0.000 0.526 747 H N -0.961 117.972 119.070 -0.227 0.000 2.972 747 H HA 0.284 4.841 4.556 0.001 0.000 0.343 747 H C -0.048 175.231 175.328 -0.083 0.000 1.054 747 H CA 0.224 56.159 56.048 -0.188 0.000 1.412 747 H CB 0.404 30.105 29.762 -0.101 0.000 1.385 747 H HN 0.703 nan 8.280 nan 0.000 0.600 748 C N 3.235 122.552 119.300 0.028 0.000 2.931 748 C HA 0.353 4.814 4.460 0.001 0.000 0.370 748 C C -0.601 174.428 174.990 0.064 0.000 1.071 748 C CA -0.241 58.807 59.018 0.050 0.000 1.266 748 C CB 1.018 28.770 27.740 0.021 0.000 1.691 748 C HN 0.877 nan 8.230 nan 0.000 0.511 749 T N 6.054 120.659 114.554 0.086 0.000 2.912 749 T HA 0.619 4.970 4.350 0.001 0.000 0.299 749 T C -0.918 173.847 174.700 0.108 0.000 1.052 749 T CA -0.243 61.913 62.100 0.092 0.000 0.996 749 T CB 1.226 70.139 68.868 0.076 0.000 1.070 749 T HN 0.575 nan 8.240 nan 0.000 0.465 750 I N 2.217 122.879 120.570 0.153 0.000 2.404 750 I HA 0.715 4.885 4.170 0.001 0.000 0.293 750 I C -0.065 176.166 176.117 0.190 0.000 0.992 750 I CA -0.956 60.450 61.300 0.176 0.000 1.149 750 I CB 1.658 39.808 38.000 0.250 0.000 1.315 750 I HN 0.676 nan 8.210 nan 0.000 0.446 751 A N 7.593 130.492 122.820 0.132 0.000 2.343 751 A HA 0.771 5.091 4.320 0.001 0.000 0.308 751 A C -0.830 176.812 177.584 0.097 0.000 1.092 751 A CA -0.467 51.626 52.037 0.093 0.000 0.751 751 A CB 0.914 19.948 19.000 0.057 0.000 1.203 751 A HN 0.513 nan 8.150 nan 0.000 0.452 752 I N 4.453 125.078 120.570 0.090 0.000 2.359 752 I HA 0.328 4.499 4.170 0.001 0.000 0.284 752 I C -2.448 173.671 176.117 0.003 0.000 1.018 752 I CA -2.624 58.708 61.300 0.053 0.000 1.173 752 I CB 1.097 39.168 38.000 0.118 0.000 1.326 752 I HN 0.367 nan 8.210 nan 0.000 0.462 753 P HA 0.234 nan 4.420 nan 0.000 0.281 753 P C 0.104 177.376 177.300 -0.047 0.000 1.252 753 P CA -0.417 62.677 63.100 -0.011 0.000 0.778 753 P CB 1.701 33.400 31.700 -0.002 0.000 0.895 754 K N 2.427 122.807 120.400 -0.032 0.000 2.098 754 K HA 0.102 4.423 4.320 0.001 0.000 0.203 754 K C 1.554 178.126 176.600 -0.046 0.000 1.051 754 K CA 1.346 57.606 56.287 -0.044 0.000 0.957 754 K CB -0.877 31.607 32.500 -0.027 0.000 0.738 754 K HN 0.822 nan 8.250 nan 0.000 0.447 755 G N 0.966 109.748 108.800 -0.029 0.000 2.184 755 G HA2 -0.180 3.781 3.960 0.001 0.000 0.206 755 G HA3 -0.180 3.781 3.960 0.001 0.000 0.206 755 G C -0.379 174.510 174.900 -0.017 0.000 0.995 755 G CA -0.239 44.841 45.100 -0.033 0.000 0.651 755 G HN 0.291 nan 8.290 nan 0.000 0.511 756 E N 0.537 120.732 120.200 -0.009 0.000 2.241 756 E HA 0.474 4.825 4.350 0.001 0.000 0.263 756 E C 0.050 176.654 176.600 0.005 0.000 0.882 756 E CA -0.846 55.552 56.400 -0.004 0.000 0.769 756 E CB 1.184 30.878 29.700 -0.008 0.000 1.185 756 E HN 0.132 nan 8.360 nan 0.000 0.415 757 E N 1.258 121.464 120.200 0.011 0.000 2.660 757 E HA -0.287 4.064 4.350 0.001 0.000 0.260 757 E C 0.720 177.333 176.600 0.020 0.000 1.122 757 E CA 1.229 57.637 56.400 0.013 0.000 0.755 757 E CB -1.417 28.286 29.700 0.005 0.000 1.345 757 E HN 1.143 nan 8.360 nan 0.000 0.421 758 G N 0.018 108.841 108.800 0.038 0.000 2.184 758 G HA2 -0.367 3.594 3.960 0.001 0.000 0.264 758 G HA3 -0.367 3.594 3.960 0.001 0.000 0.264 758 G C 0.116 175.037 174.900 0.034 0.000 0.975 758 G CA 0.617 45.750 45.100 0.056 0.000 0.642 758 G HN 0.394 nan 8.290 nan 0.000 0.536 759 E N -0.227 119.983 120.200 0.017 0.000 2.452 759 E HA 0.410 4.760 4.350 0.001 0.000 0.261 759 E C 0.365 176.967 176.600 0.003 0.000 0.987 759 E CA 0.581 56.983 56.400 0.002 0.000 0.926 759 E CB 0.595 30.291 29.700 -0.006 0.000 0.934 759 E HN 0.476 nan 8.360 nan 0.000 0.452 760 M N 2.377 121.971 119.600 -0.011 0.000 2.421 760 M HA 0.230 4.711 4.480 0.001 0.000 0.287 760 M C -1.662 174.607 176.300 -0.051 0.000 1.183 760 M CA -0.450 54.841 55.300 -0.015 0.000 0.916 760 M CB 2.275 34.877 32.600 0.003 0.000 1.701 760 M HN 0.426 nan 8.290 nan 0.000 0.470 761 E N 3.729 123.888 120.200 -0.068 0.000 2.191 761 E HA 0.608 4.959 4.350 0.001 0.000 0.263 761 E C -2.094 174.367 176.600 -0.231 0.000 0.881 761 E CA -0.603 55.698 56.400 -0.166 0.000 0.757 761 E CB 1.563 31.177 29.700 -0.142 0.000 1.147 761 E HN 0.582 nan 8.360 nan 0.000 0.414 762 L N 4.313 125.337 121.223 -0.332 0.000 2.365 762 L HA 0.516 4.856 4.340 0.001 0.000 0.273 762 L C -1.069 175.512 176.870 -0.483 0.000 1.000 762 L CA -0.476 54.207 54.840 -0.262 0.000 0.819 762 L CB 1.253 43.247 42.059 -0.108 0.000 1.284 762 L HN 0.505 nan 8.230 nan 0.000 0.418 763 F N 2.416 122.375 119.950 0.014 0.000 2.426 763 F HA 0.723 5.251 4.527 0.001 0.000 0.348 763 F C -0.186 175.616 175.800 0.002 0.000 1.124 763 F CA -0.887 57.117 58.000 0.007 0.000 1.008 763 F CB 1.650 40.660 39.000 0.016 0.000 1.139 763 F HN 0.010 nan 8.300 nan 0.000 0.452 764 V N 1.548 121.533 119.914 0.118 0.000 2.808 764 V HA 0.296 4.417 4.120 0.001 0.000 0.308 764 V C -0.334 175.766 176.094 0.011 0.000 1.099 764 V CA -1.023 61.307 62.300 0.051 0.000 0.920 764 V CB 2.135 33.958 31.823 -0.000 0.000 1.014 764 V HN 0.676 nan 8.190 nan 0.000 0.425 765 S N 2.902 118.588 115.700 -0.025 0.000 3.072 765 S HA 0.439 4.910 4.470 0.001 0.000 0.306 765 S C -0.063 174.445 174.600 -0.152 0.000 1.207 765 S CA 0.151 58.287 58.200 -0.107 0.000 1.008 765 S CB -0.413 62.671 63.200 -0.194 0.000 1.390 765 S HN 0.986 nan 8.310 nan 0.000 0.523 766 T N 2.979 117.461 114.554 -0.120 0.000 2.894 766 T HA 0.347 4.698 4.350 0.001 0.000 0.309 766 T C 0.235 174.868 174.700 -0.112 0.000 1.208 766 T CA -0.555 61.476 62.100 -0.115 0.000 1.016 766 T CB 1.630 70.457 68.868 -0.068 0.000 1.192 766 T HN 0.495 nan 8.240 nan 0.000 0.491 767 Q N 1.521 121.260 119.800 -0.101 0.000 2.403 767 Q HA 0.242 4.582 4.340 0.001 0.000 0.203 767 Q C -0.002 175.971 176.000 -0.046 0.000 0.932 767 Q CA 0.064 55.821 55.803 -0.076 0.000 0.945 767 Q CB 0.265 28.970 28.738 -0.056 0.000 1.045 767 Q HN 0.339 nan 8.270 nan 0.000 0.511 768 N N -0.315 118.350 118.700 -0.059 0.000 2.707 768 N HA 0.251 4.992 4.740 0.001 0.000 0.249 768 N C -0.460 174.993 175.510 -0.096 0.000 1.299 768 N CA -0.023 52.986 53.050 -0.067 0.000 0.769 768 N CB 1.001 39.442 38.487 -0.076 0.000 1.236 768 N HN 0.066 nan 8.380 nan 0.000 0.524 769 A N 2.789 125.559 122.820 -0.083 0.000 1.968 769 A HA -0.095 4.226 4.320 0.001 0.000 0.217 769 A C 2.114 179.639 177.584 -0.098 0.000 1.169 769 A CA 0.885 52.869 52.037 -0.089 0.000 0.638 769 A CB -0.253 18.698 19.000 -0.081 0.000 0.812 769 A HN 0.657 nan 8.150 nan 0.000 0.446 770 M N -0.616 118.930 119.600 -0.090 0.000 2.065 770 M HA -0.182 4.298 4.480 0.001 0.000 0.259 770 M C 1.871 178.072 176.300 -0.166 0.000 1.071 770 M CA 1.884 57.127 55.300 -0.095 0.000 1.109 770 M CB -0.179 32.383 32.600 -0.063 0.000 1.313 770 M HN 0.142 nan 8.290 nan 0.000 0.408 771 K N -0.248 119.996 120.400 -0.260 0.000 2.147 771 K HA -0.086 4.235 4.320 0.001 0.000 0.205 771 K C 1.887 178.157 176.600 -0.550 0.000 1.049 771 K CA 1.857 57.822 56.287 -0.537 0.000 0.936 771 K CB -0.852 31.198 32.500 -0.750 0.000 0.722 771 K HN 0.474 nan 8.250 nan 0.000 0.446 772 T N 1.641 116.017 114.554 -0.297 0.000 2.674 772 T HA -0.200 4.151 4.350 0.001 0.000 0.265 772 T C 1.929 176.570 174.700 -0.098 0.000 1.039 772 T CA 1.461 63.461 62.100 -0.166 0.000 1.150 772 T CB -0.127 68.680 68.868 -0.101 0.000 0.864 772 T HN 0.355 nan 8.240 nan 0.000 0.427 773 Q N 0.783 120.523 119.800 -0.100 0.000 2.061 773 Q HA -0.177 4.163 4.340 0.001 0.000 0.204 773 Q C 2.496 178.481 176.000 -0.026 0.000 0.984 773 Q CA 2.158 57.924 55.803 -0.061 0.000 0.846 773 Q CB -0.219 28.480 28.738 -0.064 0.000 0.902 773 Q HN 0.650 nan 8.270 nan 0.000 0.421 774 S N -0.810 114.869 115.700 -0.036 0.000 2.414 774 S HA -0.053 4.417 4.470 0.001 0.000 0.227 774 S C 1.710 176.433 174.600 0.205 0.000 1.022 774 S CA 0.453 58.681 58.200 0.046 0.000 0.958 774 S CB -0.353 62.863 63.200 0.026 0.000 0.797 774 S HN 0.348 nan 8.310 nan 0.000 0.493 775 F N 1.922 121.843 119.950 -0.049 0.000 2.206 775 F HA 0.171 4.699 4.527 0.001 0.000 0.298 775 F C 2.555 178.313 175.800 -0.070 0.000 1.090 775 F CA -0.545 57.421 58.000 -0.057 0.000 1.323 775 F CB -1.196 37.774 39.000 -0.049 0.000 1.028 775 F HN 0.101 nan 8.300 nan 0.000 0.492 776 V N 0.135 120.128 119.914 0.131 0.000 2.307 776 V HA -0.259 3.861 4.120 0.001 0.000 0.245 776 V C 2.682 178.774 176.094 -0.004 0.000 1.045 776 V CA 1.693 64.012 62.300 0.032 0.000 1.024 776 V CB -1.376 30.451 31.823 0.008 0.000 0.651 776 V HN 0.293 nan 8.190 nan 0.000 0.449 777 A N -0.396 122.428 122.820 0.006 0.000 1.908 777 A HA -0.292 4.028 4.320 0.001 0.000 0.218 777 A C 2.355 179.920 177.584 -0.032 0.000 1.181 777 A CA 2.307 54.333 52.037 -0.018 0.000 0.627 777 A CB -0.514 18.480 19.000 -0.010 0.000 0.818 777 A HN 0.514 nan 8.150 nan 0.000 0.445 778 K N -1.103 119.293 120.400 -0.007 0.000 2.057 778 K HA -0.138 4.183 4.320 0.001 0.000 0.207 778 K C 2.169 178.719 176.600 -0.084 0.000 1.049 778 K CA 1.547 57.810 56.287 -0.039 0.000 0.931 778 K CB -0.234 32.251 32.500 -0.026 0.000 0.714 778 K HN 0.481 nan 8.250 nan 0.000 0.440 779 M N 1.143 120.687 119.600 -0.093 0.000 2.086 779 M HA -0.147 4.334 4.480 0.001 0.000 0.261 779 M C 1.794 177.992 176.300 -0.169 0.000 1.067 779 M CA 1.581 56.799 55.300 -0.136 0.000 1.116 779 M CB -0.385 32.128 32.600 -0.145 0.000 1.348 779 M HN 0.187 nan 8.290 nan 0.000 0.407 780 L N 0.039 121.158 121.223 -0.174 0.000 2.217 780 L HA 0.030 4.370 4.340 0.001 0.000 0.211 780 L C 1.318 178.055 176.870 -0.221 0.000 1.107 780 L CA 0.685 55.366 54.840 -0.266 0.000 0.783 780 L CB -0.892 41.034 42.059 -0.223 0.000 0.919 780 L HN 0.652 nan 8.230 nan 0.000 0.442 781 G N 0.980 109.698 108.800 -0.136 0.000 2.291 781 G HA2 -0.169 3.792 3.960 0.001 0.000 0.271 781 G HA3 -0.169 3.792 3.960 0.001 0.000 0.271 781 G C -0.093 174.762 174.900 -0.075 0.000 1.099 781 G CA 0.184 45.226 45.100 -0.097 0.000 0.919 781 G HN 0.318 nan 8.290 nan 0.000 0.496 782 V N -3.401 116.474 119.914 -0.064 0.000 3.001 782 V HA 0.977 5.098 4.120 0.001 0.000 0.314 782 V C -2.126 173.949 176.094 -0.031 0.000 1.099 782 V CA -2.772 59.503 62.300 -0.042 0.000 0.989 782 V CB 2.019 33.820 31.823 -0.036 0.000 1.040 782 V HN 0.090 nan 8.190 nan 0.000 0.434 783 P HA 0.185 nan 4.420 nan 0.000 0.268 783 P C 0.973 178.262 177.300 -0.019 0.000 1.208 783 P CA -0.003 63.086 63.100 -0.020 0.000 0.777 783 P CB 0.767 32.458 31.700 -0.017 0.000 0.875 784 V N 1.497 121.401 119.914 -0.017 0.000 2.626 784 V HA -0.220 3.900 4.120 0.001 0.000 0.252 784 V C 2.000 178.082 176.094 -0.020 0.000 1.067 784 V CA 2.154 64.444 62.300 -0.018 0.000 1.081 784 V CB -1.396 30.418 31.823 -0.016 0.000 0.686 784 V HN 0.674 nan 8.190 nan 0.000 0.468 785 N N 0.590 119.279 118.700 -0.018 0.000 2.585 785 N HA -0.183 4.558 4.740 0.001 0.000 0.188 785 N C 1.561 177.061 175.510 -0.017 0.000 1.102 785 N CA 0.932 53.972 53.050 -0.017 0.000 0.920 785 N CB -0.376 38.103 38.487 -0.014 0.000 0.963 785 N HN 0.267 nan 8.380 nan 0.000 0.447 786 R N -0.142 120.347 120.500 -0.018 0.000 2.246 786 R HA 0.230 4.570 4.340 0.001 0.000 0.199 786 R C -0.043 176.243 176.300 -0.023 0.000 0.984 786 R CA 0.076 56.166 56.100 -0.016 0.000 1.015 786 R CB 0.133 30.426 30.300 -0.012 0.000 0.930 786 R HN 0.274 nan 8.270 nan 0.000 0.475 787 I N 1.895 122.447 120.570 -0.030 0.000 2.362 787 I HA 0.254 4.425 4.170 0.001 0.000 0.289 787 I C -0.432 175.651 176.117 -0.057 0.000 0.994 787 I CA -1.614 59.661 61.300 -0.041 0.000 1.158 787 I CB 1.367 39.346 38.000 -0.036 0.000 1.315 787 I HN -0.156 nan 8.210 nan 0.000 0.451 788 L N 8.500 129.675 121.223 -0.081 0.000 2.325 788 L HA 0.635 4.976 4.340 0.001 0.000 0.281 788 L C -0.965 175.812 176.870 -0.155 0.000 1.004 788 L CA -0.305 54.472 54.840 -0.104 0.000 0.823 788 L CB 1.704 43.701 42.059 -0.103 0.000 1.236 788 L HN 0.273 nan 8.230 nan 0.000 0.415 789 V N 5.830 125.659 119.914 -0.142 0.000 2.459 789 V HA 0.618 4.738 4.120 0.001 0.000 0.295 789 V C -0.102 175.890 176.094 -0.171 0.000 1.029 789 V CA -0.582 61.618 62.300 -0.165 0.000 0.874 789 V CB 1.637 33.391 31.823 -0.115 0.000 0.985 789 V HN 0.734 nan 8.190 nan 0.000 0.438 790 R N 3.339 123.703 120.500 -0.227 0.000 2.480 790 R HA 0.755 5.095 4.340 0.001 0.000 0.306 790 R C -1.568 174.703 176.300 -0.049 0.000 0.958 790 R CA -0.653 55.356 56.100 -0.152 0.000 0.861 790 R CB 2.337 32.507 30.300 -0.217 0.000 1.171 790 R HN 0.498 nan 8.270 nan 0.000 0.445 791 V N 3.822 123.719 119.914 -0.029 0.000 2.376 791 V HA 0.186 4.307 4.120 0.001 0.000 0.287 791 V C 0.662 176.760 176.094 0.007 0.000 1.015 791 V CA -0.706 61.590 62.300 -0.006 0.000 0.834 791 V CB 1.525 33.321 31.823 -0.045 0.000 1.001 791 V HN 0.723 nan 8.190 nan 0.000 0.428 792 K N 4.039 124.458 120.400 0.033 0.000 2.029 792 K HA 0.185 4.505 4.320 0.001 0.000 0.205 792 K C 0.714 177.310 176.600 -0.007 0.000 1.042 792 K CA 1.068 57.362 56.287 0.012 0.000 0.949 792 K CB 0.405 32.909 32.500 0.005 0.000 0.740 792 K HN 0.844 nan 8.250 nan 0.000 0.442 793 R N -1.261 119.212 120.500 -0.045 0.000 2.712 793 R HA 0.405 4.745 4.340 0.001 0.000 0.272 793 R C -1.198 175.085 176.300 -0.028 0.000 1.032 793 R CA -0.693 55.369 56.100 -0.064 0.000 0.874 793 R CB 0.860 31.080 30.300 -0.135 0.000 1.256 793 R HN -0.151 nan 8.270 nan 0.000 0.468 794 M N 0.763 120.350 119.600 -0.022 0.000 2.436 794 M HA 0.390 4.871 4.480 0.001 0.000 0.331 794 M C 0.553 176.903 176.300 0.083 0.000 1.135 794 M CA -0.665 54.615 55.300 -0.034 0.000 0.987 794 M CB 2.362 34.852 32.600 -0.184 0.000 1.687 794 M HN 0.932 nan 8.290 nan 0.000 0.445 795 G N 1.846 110.653 108.800 0.012 0.000 3.197 795 G HA2 0.476 4.437 3.960 0.001 0.000 0.257 795 G HA3 0.476 4.437 3.960 0.001 0.000 0.257 795 G C 0.377 175.191 174.900 -0.143 0.000 0.835 795 G CA 0.329 45.363 45.100 -0.110 0.000 2.001 795 G HN 1.098 nan 8.290 nan 0.000 0.625 796 G N -1.103 107.598 108.800 -0.165 0.000 2.692 796 G HA2 0.357 4.318 3.960 0.001 0.000 0.686 796 G HA3 0.357 4.318 3.960 0.001 0.000 0.686 796 G C 0.553 175.188 174.900 -0.441 0.000 1.243 796 G CA -0.296 44.573 45.100 -0.384 0.000 0.782 796 G HN 1.269 nan 8.290 nan 0.000 0.625 797 G N -0.979 107.401 108.800 -0.700 0.000 2.570 797 G HA2 0.534 4.495 3.960 0.001 0.000 0.213 797 G HA3 0.534 4.495 3.960 0.001 0.000 0.213 797 G C 0.825 175.618 174.900 -0.179 0.000 1.391 797 G CA 0.831 45.706 45.100 -0.375 0.000 0.533 797 G HN 1.752 nan 8.290 nan 0.000 1.072 798 F N 0.754 120.695 119.950 -0.015 0.000 3.069 798 F HA -0.196 4.331 4.527 0.001 0.000 0.285 798 F C 1.973 177.770 175.800 -0.004 0.000 0.827 798 F CA 0.947 58.929 58.000 -0.030 0.000 1.108 798 F CB -1.485 37.437 39.000 -0.130 0.000 1.252 798 F HN 1.145 nan 8.300 nan 0.000 0.483 799 G N -1.058 107.790 108.800 0.080 0.000 2.279 799 G HA2 -0.208 3.753 3.960 0.001 0.000 0.223 799 G HA3 -0.208 3.753 3.960 0.001 0.000 0.223 799 G C 1.113 176.023 174.900 0.016 0.000 1.015 799 G CA 0.064 45.259 45.100 0.159 0.000 0.621 799 G HN 1.216 nan 8.290 nan 0.000 0.506 800 G N 0.101 108.646 108.800 -0.425 0.000 2.679 800 G HA2 0.231 4.192 3.960 0.001 0.000 0.212 800 G HA3 0.231 4.192 3.960 0.001 0.000 0.212 800 G C 1.145 175.972 174.900 -0.122 0.000 1.137 800 G CA 1.302 45.970 45.100 -0.721 0.000 0.787 800 G HN 0.526 nan 8.290 nan 0.000 0.534 801 K N -0.170 120.145 120.400 -0.142 0.000 2.455 801 K HA 0.212 4.533 4.320 0.001 0.000 0.206 801 K C 1.334 177.919 176.600 -0.025 0.000 1.027 801 K CA -0.196 56.030 56.287 -0.101 0.000 1.113 801 K CB 0.697 33.004 32.500 -0.321 0.000 0.850 801 K HN 0.239 nan 8.250 nan 0.000 0.503 802 E N 0.616 120.835 120.200 0.031 0.000 2.112 802 E HA -0.117 4.233 4.350 0.001 0.000 0.190 802 E C 1.217 177.860 176.600 0.071 0.000 0.979 802 E CA 1.703 58.145 56.400 0.070 0.000 0.814 802 E CB 0.480 30.270 29.700 0.150 0.000 0.762 802 E HN 0.342 nan 8.360 nan 0.000 0.460 803 T N -3.352 111.266 114.554 0.106 0.000 3.100 803 T HA 0.184 4.534 4.350 0.001 0.000 0.255 803 T C 1.486 176.255 174.700 0.114 0.000 0.893 803 T CA -0.578 61.579 62.100 0.094 0.000 0.882 803 T CB -0.021 68.941 68.868 0.157 0.000 1.266 803 T HN -0.117 nan 8.240 nan 0.000 0.528 804 R N 2.597 123.174 120.500 0.128 0.000 2.316 804 R HA 0.191 4.532 4.340 0.001 0.000 0.202 804 R C 2.589 178.870 176.300 -0.032 0.000 1.029 804 R CA 1.066 57.208 56.100 0.071 0.000 1.018 804 R CB -0.973 29.367 30.300 0.068 0.000 0.888 804 R HN 0.733 nan 8.270 nan 0.000 0.471 805 S N 0.133 115.895 115.700 0.103 0.000 2.419 805 S HA -0.137 4.333 4.470 0.001 0.000 0.233 805 S C 1.883 176.527 174.600 0.073 0.000 1.016 805 S CA 1.521 59.824 58.200 0.173 0.000 0.974 805 S CB -0.539 62.779 63.200 0.195 0.000 0.786 805 S HN 0.428 nan 8.310 nan 0.000 0.492 806 T N 0.634 115.232 114.554 0.073 0.000 3.007 806 T HA 0.158 4.509 4.350 0.001 0.000 0.270 806 T C 1.712 176.467 174.700 0.091 0.000 1.107 806 T CA 0.717 62.883 62.100 0.109 0.000 1.118 806 T CB -0.761 68.267 68.868 0.266 0.000 0.889 806 T HN 0.411 nan 8.240 nan 0.000 0.506 807 L N 0.447 121.699 121.223 0.050 0.000 2.046 807 L HA -0.049 4.292 4.340 0.001 0.000 0.208 807 L C 2.872 179.757 176.870 0.025 0.000 1.077 807 L CA 1.042 55.899 54.840 0.028 0.000 0.747 807 L CB -0.650 41.412 42.059 0.004 0.000 0.896 807 L HN 0.202 nan 8.230 nan 0.000 0.432 808 V N -1.278 118.646 119.914 0.017 0.000 2.446 808 V HA -0.167 3.954 4.120 0.001 0.000 0.244 808 V C 2.535 178.661 176.094 0.053 0.000 1.039 808 V CA 1.568 63.899 62.300 0.051 0.000 1.045 808 V CB 0.082 31.945 31.823 0.067 0.000 0.681 808 V HN 0.332 nan 8.190 nan 0.000 0.459 809 S N 0.294 116.024 115.700 0.050 0.000 2.374 809 S HA -0.192 4.278 4.470 0.001 0.000 0.227 809 S C 1.967 176.582 174.600 0.025 0.000 1.037 809 S CA 1.720 59.945 58.200 0.042 0.000 1.024 809 S CB -0.263 62.959 63.200 0.036 0.000 0.861 809 S HN 0.387 nan 8.310 nan 0.000 0.456 810 V N 1.519 121.439 119.914 0.009 0.000 2.591 810 V HA -0.046 4.075 4.120 0.001 0.000 0.249 810 V C 2.534 178.571 176.094 -0.096 0.000 1.053 810 V CA 1.330 63.606 62.300 -0.040 0.000 1.068 810 V CB -1.068 30.719 31.823 -0.060 0.000 0.689 810 V HN 0.522 nan 8.190 nan 0.000 0.462 811 A N -0.061 122.712 122.820 -0.079 0.000 1.898 811 A HA -0.132 4.189 4.320 0.001 0.000 0.216 811 A C 2.355 179.982 177.584 0.072 0.000 1.181 811 A CA 1.919 53.942 52.037 -0.022 0.000 0.620 811 A CB -0.565 18.515 19.000 0.133 0.000 0.819 811 A HN 0.328 nan 8.150 nan 0.000 0.442 812 V N -0.193 119.759 119.914 0.063 0.000 2.427 812 V HA -0.191 3.929 4.120 0.001 0.000 0.248 812 V C 3.009 179.138 176.094 0.058 0.000 1.051 812 V CA 1.686 64.027 62.300 0.068 0.000 1.048 812 V CB -1.089 30.774 31.823 0.067 0.000 0.666 812 V HN 0.604 nan 8.190 nan 0.000 0.456 813 A N 0.019 122.863 122.820 0.039 0.000 1.902 813 A HA -0.200 4.120 4.320 0.001 0.000 0.217 813 A C 2.159 179.786 177.584 0.072 0.000 1.181 813 A CA 2.067 54.129 52.037 0.041 0.000 0.623 813 A CB -0.544 18.462 19.000 0.010 0.000 0.818 813 A HN 0.463 nan 8.150 nan 0.000 0.443 814 L N -0.285 120.968 121.223 0.051 0.000 2.046 814 L HA -0.038 4.303 4.340 0.001 0.000 0.208 814 L C 2.609 179.577 176.870 0.163 0.000 1.077 814 L CA 2.196 57.096 54.840 0.099 0.000 0.747 814 L CB -0.709 41.379 42.059 0.048 0.000 0.896 814 L HN 0.322 nan 8.230 nan 0.000 0.432 815 A N -0.521 122.368 122.820 0.116 0.000 1.930 815 A HA -0.042 4.279 4.320 0.001 0.000 0.217 815 A C 2.445 180.063 177.584 0.057 0.000 1.175 815 A CA 1.627 53.708 52.037 0.074 0.000 0.627 815 A CB -1.093 17.937 19.000 0.050 0.000 0.815 815 A HN 0.576 nan 8.150 nan 0.000 0.443 816 A N -1.157 121.707 122.820 0.074 0.000 1.877 816 A HA -0.103 4.218 4.320 0.001 0.000 0.216 816 A C 2.163 179.791 177.584 0.074 0.000 1.186 816 A CA 1.658 53.733 52.037 0.064 0.000 0.620 816 A CB -0.886 18.152 19.000 0.064 0.000 0.822 816 A HN 0.821 nan 8.150 nan 0.000 0.443 817 Y N 0.443 120.746 120.300 0.004 0.000 2.181 817 Y HA -0.176 4.375 4.550 0.001 0.000 0.288 817 Y C 2.240 178.144 175.900 0.007 0.000 1.146 817 Y CA 2.430 60.530 58.100 0.001 0.000 1.164 817 Y CB -0.185 38.272 38.460 -0.004 0.000 0.982 817 Y HN 0.198 nan 8.280 nan 0.000 0.515 818 K N 0.080 120.450 120.400 -0.050 0.000 2.062 818 K HA -0.078 4.243 4.320 0.001 0.000 0.205 818 K C 2.151 178.648 176.600 -0.171 0.000 1.051 818 K CA 1.978 58.166 56.287 -0.165 0.000 0.941 818 K CB -0.713 31.816 32.500 0.048 0.000 0.719 818 K HN 0.558 nan 8.250 nan 0.000 0.440 819 T N -3.932 110.568 114.554 -0.090 0.000 3.054 819 T HA 0.146 4.496 4.350 0.001 0.000 0.259 819 T C 1.512 176.237 174.700 0.042 0.000 1.092 819 T CA 0.652 62.716 62.100 -0.059 0.000 1.121 819 T CB -0.188 68.617 68.868 -0.104 0.000 0.912 819 T HN 0.293 nan 8.240 nan 0.000 0.489 820 G N 1.255 110.048 108.800 -0.011 0.000 2.175 820 G HA2 -0.253 3.708 3.960 0.001 0.000 0.265 820 G HA3 -0.253 3.708 3.960 0.001 0.000 0.265 820 G C 0.028 174.959 174.900 0.051 0.000 0.979 820 G CA 0.548 45.649 45.100 0.003 0.000 0.663 820 G HN 0.771 nan 8.290 nan 0.000 0.533 821 H N 0.278 119.298 119.070 -0.082 0.000 2.567 821 H HA 0.344 4.901 4.556 0.001 0.000 0.345 821 H C -2.347 172.934 175.328 -0.079 0.000 1.169 821 H CA -2.138 53.859 56.048 -0.084 0.000 1.227 821 H CB 1.813 31.535 29.762 -0.067 0.000 1.607 821 H HN 0.037 nan 8.280 nan 0.000 0.534 822 P HA -0.041 nan 4.420 nan 0.000 0.266 822 P C -0.802 176.508 177.300 0.017 0.000 1.195 822 P CA 0.267 63.380 63.100 0.022 0.000 0.768 822 P CB 0.657 32.391 31.700 0.057 0.000 0.838 823 V N 3.737 123.653 119.914 0.003 0.000 2.925 823 V HA 0.673 4.794 4.120 0.001 0.000 0.311 823 V C 0.111 176.173 176.094 -0.053 0.000 1.104 823 V CA -0.630 61.638 62.300 -0.053 0.000 0.954 823 V CB 2.344 34.160 31.823 -0.010 0.000 1.022 823 V HN 0.617 nan 8.190 nan 0.000 0.427 824 R N 1.679 122.105 120.500 -0.123 0.000 2.799 824 R HA 0.920 5.261 4.340 0.001 0.000 0.270 824 R C -1.609 174.729 176.300 0.064 0.000 1.010 824 R CA -0.613 55.472 56.100 -0.025 0.000 0.916 824 R CB 1.827 32.100 30.300 -0.046 0.000 1.228 824 R HN 0.773 nan 8.270 nan 0.000 0.469 825 C N 2.692 122.060 119.300 0.114 0.000 2.871 825 C HA 0.572 5.032 4.460 0.001 0.000 0.378 825 C C -1.047 174.028 174.990 0.142 0.000 1.052 825 C CA -0.613 58.501 59.018 0.158 0.000 1.250 825 C CB 1.337 29.161 27.740 0.139 0.000 1.689 825 C HN 1.002 nan 8.230 nan 0.000 0.506 826 M N 6.660 126.352 119.600 0.154 0.000 2.227 826 M HA 0.582 5.062 4.480 0.001 0.000 0.335 826 M C -1.055 175.318 176.300 0.122 0.000 1.053 826 M CA -0.533 54.841 55.300 0.123 0.000 0.973 826 M CB 1.092 33.767 32.600 0.124 0.000 1.623 826 M HN 0.727 nan 8.290 nan 0.000 0.434 827 L N 4.068 125.363 121.223 0.120 0.000 2.456 827 L HA 0.157 4.498 4.340 0.001 0.000 0.272 827 L C 0.146 177.087 176.870 0.119 0.000 1.189 827 L CA -0.367 54.549 54.840 0.127 0.000 0.846 827 L CB 0.176 42.325 42.059 0.149 0.000 1.111 827 L HN 0.663 nan 8.230 nan 0.000 0.475 828 D N 1.351 121.822 120.400 0.118 0.000 2.368 828 D HA 0.008 4.648 4.640 0.001 0.000 0.240 828 D C 0.977 177.364 176.300 0.144 0.000 1.169 828 D CA -0.211 53.867 54.000 0.129 0.000 0.906 828 D CB 0.854 41.728 40.800 0.125 0.000 1.187 828 D HN 0.352 nan 8.370 nan 0.000 0.435 829 R N 1.480 122.071 120.500 0.152 0.000 2.103 829 R HA -0.207 4.134 4.340 0.001 0.000 0.242 829 R C 1.673 178.052 176.300 0.132 0.000 1.142 829 R CA 1.885 58.049 56.100 0.106 0.000 0.960 829 R CB -0.176 30.193 30.300 0.116 0.000 0.858 829 R HN 0.525 nan 8.270 nan 0.000 0.439 830 N N 0.363 119.182 118.700 0.198 0.000 2.188 830 N HA -0.182 4.558 4.740 0.001 0.000 0.184 830 N C 1.150 176.751 175.510 0.152 0.000 1.018 830 N CA 1.918 55.079 53.050 0.185 0.000 0.858 830 N CB -0.518 38.126 38.487 0.260 0.000 0.989 830 N HN 0.471 nan 8.380 nan 0.000 0.426 831 E N 0.225 120.518 120.200 0.154 0.000 2.106 831 E HA -0.159 4.192 4.350 0.001 0.000 0.192 831 E C 1.343 178.023 176.600 0.132 0.000 0.984 831 E CA 0.970 57.453 56.400 0.139 0.000 0.806 831 E CB -0.125 29.655 29.700 0.135 0.000 0.750 831 E HN 0.436 nan 8.360 nan 0.000 0.458 832 D N 0.797 121.283 120.400 0.144 0.000 2.084 832 D HA -0.149 4.492 4.640 0.001 0.000 0.194 832 D C 2.051 178.443 176.300 0.155 0.000 0.990 832 D CA 1.108 55.216 54.000 0.180 0.000 0.826 832 D CB 0.066 41.006 40.800 0.232 0.000 0.971 832 D HN 0.147 nan 8.370 nan 0.000 0.453 833 M N -0.025 119.634 119.600 0.100 0.000 2.108 833 M HA -0.186 4.295 4.480 0.001 0.000 0.261 833 M C 2.364 178.702 176.300 0.063 0.000 1.066 833 M CA 0.859 56.188 55.300 0.048 0.000 1.107 833 M CB -0.201 32.398 32.600 -0.001 0.000 1.356 833 M HN 0.073 nan 8.290 nan 0.000 0.406 834 L N 0.562 121.835 121.223 0.084 0.000 2.005 834 L HA -0.118 4.222 4.340 0.001 0.000 0.207 834 L C 2.039 178.978 176.870 0.115 0.000 1.072 834 L CA 1.916 56.816 54.840 0.099 0.000 0.744 834 L CB -0.311 41.813 42.059 0.108 0.000 0.895 834 L HN 0.195 nan 8.230 nan 0.000 0.433 835 I N -1.309 119.329 120.570 0.112 0.000 2.429 835 I HA -0.139 4.032 4.170 0.001 0.000 0.247 835 I C 1.954 178.123 176.117 0.087 0.000 1.099 835 I CA 1.311 62.673 61.300 0.104 0.000 1.422 835 I CB -0.464 37.595 38.000 0.098 0.000 1.112 835 I HN 0.386 nan 8.210 nan 0.000 0.430 836 T N -1.397 113.209 114.554 0.086 0.000 3.129 836 T HA 0.436 4.787 4.350 0.001 0.000 0.251 836 T C 0.919 175.711 174.700 0.153 0.000 1.117 836 T CA 0.219 62.352 62.100 0.055 0.000 1.034 836 T CB -0.219 68.640 68.868 -0.016 0.000 0.968 836 T HN 0.531 nan 8.240 nan 0.000 0.526 837 G N -0.773 108.126 108.800 0.165 0.000 2.730 837 G HA2 0.375 4.335 3.960 0.001 0.000 0.686 837 G HA3 0.375 4.335 3.960 0.001 0.000 0.686 837 G C -0.158 174.893 174.900 0.252 0.000 1.343 837 G CA -0.583 44.622 45.100 0.175 0.000 0.826 837 G HN 1.078 nan 8.290 nan 0.000 0.582 838 G N -0.729 108.168 108.800 0.161 0.000 3.021 838 G HA2 0.779 4.740 3.960 0.001 0.000 0.290 838 G HA3 0.779 4.740 3.960 0.001 0.000 0.290 838 G C 0.061 175.039 174.900 0.130 0.000 1.291 838 G CA -0.055 45.105 45.100 0.099 0.000 0.834 838 G HN 0.839 nan 8.290 nan 0.000 0.564 839 R N -0.522 120.059 120.500 0.135 0.000 2.756 839 R HA 0.122 4.463 4.340 0.001 0.000 0.264 839 R C -0.577 175.746 176.300 0.038 0.000 1.026 839 R CA -0.130 56.027 56.100 0.094 0.000 1.121 839 R CB -0.015 30.155 30.300 -0.216 0.000 0.999 839 R HN 0.570 nan 8.270 nan 0.000 0.449 840 H N 3.836 122.965 119.070 0.098 0.000 2.878 840 H HA 0.175 4.732 4.556 0.001 0.000 0.290 840 H C -2.010 173.424 175.328 0.176 0.000 1.065 840 H CA -1.401 54.740 56.048 0.156 0.000 1.477 840 H CB 0.724 30.653 29.762 0.280 0.000 1.484 840 H HN 0.413 nan 8.280 nan 0.000 0.504 841 P HA 0.001 nan 4.420 nan 0.000 0.266 841 P C -0.770 176.650 177.300 0.200 0.000 1.195 841 P CA 0.461 63.606 63.100 0.075 0.000 0.768 841 P CB 0.467 32.197 31.700 0.050 0.000 0.838 842 F N 2.202 122.067 119.950 -0.140 0.000 2.532 842 F HA 0.535 5.063 4.527 0.001 0.000 0.321 842 F C -0.159 175.648 175.800 0.011 0.000 1.089 842 F CA -1.027 56.988 58.000 0.024 0.000 0.926 842 F CB 1.713 40.768 39.000 0.091 0.000 1.168 842 F HN 0.086 nan 8.300 nan 0.000 0.459 843 L N 3.448 124.867 121.223 0.326 0.000 2.381 843 L HA 0.868 5.209 4.340 0.001 0.000 0.274 843 L C -1.158 175.962 176.870 0.417 0.000 0.988 843 L CA -0.350 54.726 54.840 0.394 0.000 0.824 843 L CB 1.450 43.719 42.059 0.350 0.000 1.263 843 L HN 0.605 nan 8.230 nan 0.000 0.410 844 A N 5.157 128.207 122.820 0.383 0.000 2.355 844 A HA 0.873 5.194 4.320 0.001 0.000 0.317 844 A C -0.713 177.081 177.584 0.350 0.000 1.094 844 A CA -0.697 51.538 52.037 0.330 0.000 0.764 844 A CB 0.980 20.134 19.000 0.257 0.000 1.230 844 A HN 0.739 nan 8.150 nan 0.000 0.448 845 R N 1.341 122.021 120.500 0.299 0.000 2.360 845 R HA 0.555 4.896 4.340 0.001 0.000 0.318 845 R C -1.366 175.051 176.300 0.196 0.000 0.950 845 R CA -0.296 55.929 56.100 0.209 0.000 0.837 845 R CB 1.280 31.673 30.300 0.155 0.000 1.165 845 R HN 0.811 nan 8.270 nan 0.000 0.458 846 Y N -0.500 119.836 120.300 0.061 0.000 2.602 846 Y HA 0.704 5.254 4.550 0.001 0.000 0.342 846 Y C -0.829 175.081 175.900 0.017 0.000 1.029 846 Y CA -1.397 56.723 58.100 0.034 0.000 1.080 846 Y CB 1.854 40.358 38.460 0.072 0.000 1.284 846 Y HN 0.293 nan 8.280 nan 0.000 0.485 847 K N 1.806 122.257 120.400 0.083 0.000 2.565 847 K HA 0.631 4.952 4.320 0.001 0.000 0.251 847 K C -2.625 174.090 176.600 0.192 0.000 0.956 847 K CA -0.796 55.511 56.287 0.033 0.000 0.809 847 K CB 2.737 35.169 32.500 -0.113 0.000 1.267 847 K HN 0.826 nan 8.250 nan 0.000 0.438 848 V N 2.959 122.986 119.914 0.189 0.000 2.588 848 V HA 0.830 4.951 4.120 0.001 0.000 0.304 848 V C -0.622 175.692 176.094 0.367 0.000 1.042 848 V CA -0.171 62.180 62.300 0.084 0.000 0.877 848 V CB 1.646 33.304 31.823 -0.275 0.000 0.996 848 V HN 0.868 nan 8.190 nan 0.000 0.425 849 G N 5.950 114.912 108.800 0.271 0.000 2.416 849 G HA2 0.768 4.728 3.960 0.001 0.000 0.324 849 G HA3 0.768 4.728 3.960 0.001 0.000 0.324 849 G C -1.207 173.802 174.900 0.181 0.000 1.194 849 G CA -0.551 44.683 45.100 0.224 0.000 0.922 849 G HN 1.082 nan 8.290 nan 0.000 0.467 850 F N 0.442 120.373 119.950 -0.032 0.000 2.662 850 F HA 0.756 5.283 4.527 0.001 0.000 0.312 850 F C -0.527 175.257 175.800 -0.027 0.000 1.113 850 F CA -1.864 56.105 58.000 -0.052 0.000 0.951 850 F CB 1.369 40.347 39.000 -0.038 0.000 1.344 850 F HN 0.220 nan 8.300 nan 0.000 0.462 851 M N 1.495 121.148 119.600 0.089 0.000 2.267 851 M HA 0.349 4.830 4.480 0.001 0.000 0.303 851 M C 1.036 177.382 176.300 0.077 0.000 1.164 851 M CA -0.429 54.875 55.300 0.007 0.000 1.060 851 M CB 1.130 33.737 32.600 0.013 0.000 1.455 851 M HN 0.828 nan 8.290 nan 0.000 0.483 852 K N 0.285 120.699 120.400 0.023 0.000 2.209 852 K HA -0.106 4.214 4.320 0.001 0.000 0.204 852 K C 1.436 178.094 176.600 0.097 0.000 1.048 852 K CA 1.724 58.045 56.287 0.057 0.000 0.940 852 K CB -0.251 32.261 32.500 0.020 0.000 0.729 852 K HN 0.882 nan 8.250 nan 0.000 0.451 853 T N -2.777 111.824 114.554 0.079 0.000 3.160 853 T HA 0.091 4.441 4.350 0.001 0.000 0.257 853 T C 1.359 176.114 174.700 0.091 0.000 1.147 853 T CA 0.738 62.882 62.100 0.074 0.000 1.064 853 T CB 0.107 69.004 68.868 0.048 0.000 0.949 853 T HN 0.375 nan 8.240 nan 0.000 0.526 854 G N 0.522 109.411 108.800 0.149 0.000 2.225 854 G HA2 -0.259 3.701 3.960 0.001 0.000 0.254 854 G HA3 -0.259 3.701 3.960 0.001 0.000 0.254 854 G C 0.283 175.231 174.900 0.079 0.000 0.988 854 G CA 0.112 45.285 45.100 0.121 0.000 0.625 854 G HN 0.682 nan 8.290 nan 0.000 0.527 855 T N 1.895 116.490 114.554 0.070 0.000 2.817 855 T HA 0.446 4.796 4.350 0.001 0.000 0.295 855 T C 0.823 175.542 174.700 0.032 0.000 0.958 855 T CA 0.204 62.311 62.100 0.012 0.000 1.157 855 T CB 0.637 69.499 68.868 -0.009 0.000 0.898 855 T HN 0.320 nan 8.240 nan 0.000 0.536 856 I N 4.026 124.581 120.570 -0.024 0.000 2.529 856 I HA 0.108 4.278 4.170 0.001 0.000 0.284 856 I C 1.121 177.185 176.117 -0.090 0.000 1.082 856 I CA 0.442 61.715 61.300 -0.045 0.000 1.406 856 I CB 1.200 39.127 38.000 -0.123 0.000 1.405 856 I HN 0.418 nan 8.210 nan 0.000 0.548 857 V N 4.709 124.554 119.914 -0.114 0.000 3.250 857 V HA 0.568 4.689 4.120 0.001 0.000 0.240 857 V C 0.309 176.249 176.094 -0.256 0.000 1.275 857 V CA 0.841 63.053 62.300 -0.147 0.000 1.206 857 V CB 0.911 32.673 31.823 -0.102 0.000 0.976 857 V HN 0.846 nan 8.190 nan 0.000 0.467 858 A N 0.087 122.688 122.820 -0.366 0.000 2.606 858 A HA 0.831 5.151 4.320 0.001 0.000 0.293 858 A C -2.124 175.127 177.584 -0.555 0.000 1.082 858 A CA -0.374 51.311 52.037 -0.587 0.000 0.685 858 A CB 2.151 20.491 19.000 -1.100 0.000 1.284 858 A HN 0.381 nan 8.150 nan 0.000 0.408 859 L N 0.119 121.072 121.223 -0.451 0.000 2.549 859 L HA 0.694 5.034 4.340 0.001 0.000 0.259 859 L C -1.361 175.469 176.870 -0.067 0.000 0.934 859 L CA 0.101 54.777 54.840 -0.273 0.000 0.865 859 L CB 2.098 43.891 42.059 -0.442 0.000 1.352 859 L HN 0.810 nan 8.230 nan 0.000 0.410 860 E N 3.853 124.112 120.200 0.098 0.000 2.248 860 E HA 0.764 5.115 4.350 0.001 0.000 0.267 860 E C -1.552 175.106 176.600 0.097 0.000 0.877 860 E CA -0.921 55.551 56.400 0.121 0.000 0.759 860 E CB 2.880 32.690 29.700 0.184 0.000 1.182 860 E HN 0.380 nan 8.360 nan 0.000 0.418 861 V N 2.307 122.270 119.914 0.081 0.000 2.686 861 V HA 0.278 4.399 4.120 0.001 0.000 0.306 861 V C -1.059 175.016 176.094 -0.032 0.000 1.065 861 V CA -1.053 61.264 62.300 0.029 0.000 0.894 861 V CB 2.070 33.864 31.823 -0.049 0.000 1.004 861 V HN 0.646 nan 8.190 nan 0.000 0.424 862 D N 2.463 122.848 120.400 -0.023 0.000 2.280 862 D HA 0.492 5.133 4.640 0.001 0.000 0.236 862 D C -0.583 175.669 176.300 -0.080 0.000 1.082 862 D CA -0.209 53.762 54.000 -0.048 0.000 0.834 862 D CB 1.376 42.199 40.800 0.039 0.000 1.100 862 D HN 0.620 nan 8.370 nan 0.000 0.486 863 H N 0.948 119.964 119.070 -0.090 0.000 2.499 863 H HA 0.458 5.015 4.556 0.001 0.000 0.340 863 H C -0.813 174.326 175.328 -0.314 0.000 1.148 863 H CA -0.414 55.652 56.048 0.029 0.000 1.215 863 H CB 1.091 30.954 29.762 0.168 0.000 1.529 863 H HN 0.294 nan 8.280 nan 0.000 0.510 864 Y N 0.355 120.661 120.300 0.009 0.000 2.386 864 Y HA 0.372 4.923 4.550 0.001 0.000 0.334 864 Y C -0.381 175.301 175.900 -0.364 0.000 1.002 864 Y CA -0.889 57.161 58.100 -0.084 0.000 1.068 864 Y CB 2.051 40.544 38.460 0.054 0.000 1.203 864 Y HN 0.683 nan 8.280 nan 0.000 0.443 865 S N 1.797 117.303 115.700 -0.324 0.000 2.568 865 S HA 0.482 4.952 4.470 0.001 0.000 0.302 865 S C -0.956 173.624 174.600 -0.034 0.000 1.082 865 S CA -0.955 56.964 58.200 -0.467 0.000 1.009 865 S CB 1.810 64.555 63.200 -0.760 0.000 1.069 865 S HN 0.612 nan 8.310 nan 0.000 0.500 866 N N 1.047 119.769 118.700 0.035 0.000 2.420 866 N HA 0.426 5.166 4.740 0.001 0.000 0.249 866 N C 0.527 176.076 175.510 0.065 0.000 1.033 866 N CA -0.237 52.839 53.050 0.043 0.000 0.944 866 N CB 1.403 39.891 38.487 0.002 0.000 1.113 866 N HN 0.797 nan 8.380 nan 0.000 0.502 867 A N 2.634 125.537 122.820 0.137 0.000 2.147 867 A HA 0.412 4.732 4.320 0.001 0.000 0.211 867 A C 1.133 178.794 177.584 0.128 0.000 1.160 867 A CA 0.794 52.966 52.037 0.224 0.000 0.781 867 A CB -0.630 18.625 19.000 0.425 0.000 0.842 867 A HN 0.919 nan 8.150 nan 0.000 0.475 868 G N 0.823 109.666 108.800 0.072 0.000 2.645 868 G HA2 -0.282 3.679 3.960 0.001 0.000 0.239 868 G HA3 -0.282 3.679 3.960 0.001 0.000 0.239 868 G C 0.181 175.166 174.900 0.142 0.000 1.331 868 G CA 0.185 45.309 45.100 0.039 0.000 0.890 868 G HN 1.092 nan 8.290 nan 0.000 0.572 869 N N 0.198 118.934 118.700 0.060 0.000 2.362 869 N HA 0.303 5.043 4.740 0.001 0.000 0.204 869 N C 0.568 176.128 175.510 0.083 0.000 1.166 869 N CA 1.171 54.256 53.050 0.058 0.000 0.831 869 N CB -0.083 38.344 38.487 -0.100 0.000 1.008 869 N HN 1.714 nan 8.380 nan 0.000 0.472 870 S N -1.659 114.070 115.700 0.047 0.000 2.656 870 S HA 0.494 4.965 4.470 0.001 0.000 0.273 870 S C 0.437 174.771 174.600 -0.443 0.000 1.168 870 S CA -0.908 57.217 58.200 -0.125 0.000 0.817 870 S CB 1.909 65.082 63.200 -0.045 0.000 1.146 870 S HN -0.014 nan 8.310 nan 0.000 0.475 871 R N 0.473 120.619 120.500 -0.590 0.000 2.055 871 R HA 0.125 4.466 4.340 0.001 0.000 0.226 871 R C 0.861 177.081 176.300 -0.134 0.000 1.135 871 R CA 1.473 57.185 56.100 -0.646 0.000 0.959 871 R CB -0.755 29.144 30.300 -0.668 0.000 0.854 871 R HN 0.910 nan 8.270 nan 0.000 0.431 872 D N -0.924 119.541 120.400 0.108 0.000 3.417 872 D HA -0.303 4.338 4.640 0.001 0.000 0.163 872 D C 0.130 176.637 176.300 0.345 0.000 1.070 872 D CA 2.119 56.278 54.000 0.264 0.000 1.047 872 D CB -0.783 40.137 40.800 0.199 0.000 0.514 872 D HN 0.094 nan 8.370 nan 0.000 0.532 873 L N 0.348 121.757 121.223 0.310 0.000 2.629 873 L HA 0.227 4.568 4.340 0.001 0.000 0.230 873 L C 1.992 178.937 176.870 0.125 0.000 1.151 873 L CA 0.223 55.260 54.840 0.329 0.000 0.924 873 L CB -0.059 42.256 42.059 0.426 0.000 1.137 873 L HN 0.179 nan 8.230 nan 0.000 0.457 874 S N -0.779 114.967 115.700 0.077 0.000 2.383 874 S HA -0.260 4.210 4.470 0.001 0.000 0.229 874 S C 1.863 176.394 174.600 -0.115 0.000 1.030 874 S CA 1.532 59.682 58.200 -0.084 0.000 1.002 874 S CB -0.257 62.993 63.200 0.082 0.000 0.829 874 S HN 0.595 nan 8.310 nan 0.000 0.467 875 H N 1.254 120.257 119.070 -0.112 0.000 2.326 875 H HA 0.035 4.591 4.556 0.001 0.000 0.301 875 H C 2.213 177.516 175.328 -0.040 0.000 1.081 875 H CA 1.773 57.756 56.048 -0.109 0.000 1.334 875 H CB -0.186 29.487 29.762 -0.148 0.000 1.385 875 H HN 0.238 nan 8.280 nan 0.000 0.504 876 S N -0.098 115.750 115.700 0.247 0.000 2.382 876 S HA -0.130 4.341 4.470 0.001 0.000 0.228 876 S C 2.190 176.879 174.600 0.148 0.000 1.027 876 S CA 1.299 59.703 58.200 0.339 0.000 0.991 876 S CB -0.222 63.338 63.200 0.600 0.000 0.823 876 S HN 0.353 nan 8.310 nan 0.000 0.469 877 I N 0.908 121.285 120.570 -0.322 0.000 2.163 877 I HA -0.244 3.926 4.170 0.001 0.000 0.243 877 I C 2.472 178.453 176.117 -0.227 0.000 1.085 877 I CA 1.236 62.160 61.300 -0.626 0.000 1.347 877 I CB -0.250 37.255 38.000 -0.825 0.000 1.044 877 I HN 0.276 nan 8.210 nan 0.000 0.408 878 M N 0.713 120.189 119.600 -0.206 0.000 2.117 878 M HA -0.205 4.276 4.480 0.001 0.000 0.262 878 M C 2.050 178.242 176.300 -0.179 0.000 1.065 878 M CA 1.845 57.050 55.300 -0.160 0.000 1.114 878 M CB -0.439 31.993 32.600 -0.280 0.000 1.361 878 M HN 0.128 nan 8.290 nan 0.000 0.408 879 E N -0.792 119.293 120.200 -0.191 0.000 2.058 879 E HA -0.265 4.085 4.350 0.001 0.000 0.194 879 E C 2.190 178.710 176.600 -0.134 0.000 0.997 879 E CA 1.516 57.808 56.400 -0.180 0.000 0.801 879 E CB -0.348 29.363 29.700 0.020 0.000 0.746 879 E HN 0.520 nan 8.360 nan 0.000 0.450 880 R N 0.767 121.367 120.500 0.166 0.000 2.096 880 R HA -0.133 4.208 4.340 0.001 0.000 0.235 880 R C 2.239 178.703 176.300 0.273 0.000 1.127 880 R CA 1.214 57.550 56.100 0.393 0.000 0.968 880 R CB -0.190 30.380 30.300 0.451 0.000 0.861 880 R HN 0.152 nan 8.270 nan 0.000 0.440 881 A N 1.396 124.240 122.820 0.040 0.000 1.859 881 A HA -0.186 4.134 4.320 0.001 0.000 0.217 881 A C 2.195 179.751 177.584 -0.047 0.000 1.198 881 A CA 1.621 53.613 52.037 -0.074 0.000 0.629 881 A CB -0.798 18.096 19.000 -0.176 0.000 0.830 881 A HN 0.367 nan 8.150 nan 0.000 0.446 882 L N -1.827 119.318 121.223 -0.130 0.000 2.079 882 L HA -0.210 4.130 4.340 0.001 0.000 0.210 882 L C 2.476 179.445 176.870 0.164 0.000 1.081 882 L CA 1.467 56.281 54.840 -0.044 0.000 0.752 882 L CB -0.715 41.287 42.059 -0.094 0.000 0.896 882 L HN 0.445 nan 8.230 nan 0.000 0.433 883 F N -1.014 118.992 119.950 0.093 0.000 2.494 883 F HA -0.184 4.344 4.527 0.001 0.000 0.298 883 F C 1.774 177.560 175.800 -0.024 0.000 1.106 883 F CA 0.699 58.622 58.000 -0.129 0.000 1.452 883 F CB -0.150 38.636 39.000 -0.356 0.000 1.085 883 F HN 0.221 nan 8.300 nan 0.000 0.569 884 H N -1.368 117.912 119.070 0.350 0.000 3.058 884 H HA 0.125 4.682 4.556 0.001 0.000 0.266 884 H C 1.862 177.269 175.328 0.131 0.000 1.135 884 H CA 0.005 56.184 56.048 0.217 0.000 1.174 884 H CB 0.021 29.808 29.762 0.041 0.000 1.581 884 H HN 0.202 nan 8.280 nan 0.000 0.553 885 M N 0.306 120.038 119.600 0.219 0.000 2.530 885 M HA -0.090 4.390 4.480 0.001 0.000 0.261 885 M C 0.578 176.937 176.300 0.098 0.000 1.067 885 M CA 1.653 57.052 55.300 0.165 0.000 1.071 885 M CB 0.087 32.825 32.600 0.230 0.000 1.405 885 M HN 0.079 nan 8.290 nan 0.000 0.478 886 D N -0.877 119.523 120.400 0.001 0.000 2.348 886 D HA -0.017 4.623 4.640 0.001 0.000 0.211 886 D C 0.840 177.186 176.300 0.077 0.000 0.998 886 D CA 0.257 54.282 54.000 0.042 0.000 0.873 886 D CB -0.530 40.288 40.800 0.031 0.000 0.925 886 D HN 0.492 nan 8.370 nan 0.000 0.524 887 N N 0.369 119.091 118.700 0.036 0.000 1.211 887 N HA -0.306 4.435 4.740 0.001 0.000 0.135 887 N C -0.118 175.321 175.510 -0.119 0.000 0.603 887 N CA 2.546 55.542 53.050 -0.090 0.000 0.964 887 N CB -1.241 37.099 38.487 -0.244 0.000 1.307 887 N HN 0.359 nan 8.380 nan 0.000 0.501 888 C N 0.032 118.985 119.300 -0.579 0.000 2.647 888 C HA 0.426 4.886 4.460 0.001 0.000 0.296 888 C C -0.690 173.894 174.990 -0.677 0.000 1.403 888 C CA -0.523 58.293 59.018 -0.337 0.000 1.781 888 C CB -2.004 25.577 27.740 -0.265 0.000 2.464 888 C HN 0.333 nan 8.230 nan 0.000 0.559 889 Y N 0.491 120.572 120.300 -0.365 0.000 2.335 889 Y HA 0.359 4.909 4.550 0.001 0.000 0.338 889 Y C 0.523 175.839 175.900 -0.973 0.000 0.977 889 Y CA -0.885 56.876 58.100 -0.565 0.000 1.114 889 Y CB 0.772 39.098 38.460 -0.224 0.000 1.182 889 Y HN -0.141 nan 8.280 nan 0.000 0.463 890 K N 5.213 125.101 120.400 -0.853 0.000 2.338 890 K HA 0.292 4.613 4.320 0.001 0.000 0.290 890 K C -1.127 175.307 176.600 -0.277 0.000 1.069 890 K CA 0.155 56.052 56.287 -0.650 0.000 0.941 890 K CB -0.179 32.065 32.500 -0.428 0.000 1.023 890 K HN 0.766 nan 8.250 nan 0.000 0.477 891 I N 8.421 128.880 120.570 -0.185 0.000 2.464 891 I HA 0.182 4.353 4.170 0.001 0.000 0.277 891 I C -1.312 174.746 176.117 -0.098 0.000 1.040 891 I CA -1.875 59.348 61.300 -0.129 0.000 1.153 891 I CB 1.783 39.713 38.000 -0.116 0.000 1.274 891 I HN 0.359 nan 8.210 nan 0.000 0.469 892 P HA -0.090 nan 4.420 nan 0.000 0.222 892 P C -0.248 177.004 177.300 -0.080 0.000 1.147 892 P CA 1.219 64.272 63.100 -0.078 0.000 0.790 892 P CB 0.191 31.841 31.700 -0.083 0.000 0.780 893 N N 0.455 119.079 118.700 -0.126 0.000 2.531 893 N HA 0.415 5.156 4.740 0.001 0.000 0.268 893 N C -0.839 174.580 175.510 -0.153 0.000 1.023 893 N CA -0.324 52.644 53.050 -0.137 0.000 0.896 893 N CB 2.168 40.538 38.487 -0.195 0.000 1.233 893 N HN 0.093 nan 8.380 nan 0.000 0.512 894 I N 0.759 121.290 120.570 -0.065 0.000 2.656 894 I HA 0.443 4.614 4.170 0.001 0.000 0.292 894 I C -1.330 174.811 176.117 0.040 0.000 1.144 894 I CA -0.710 60.569 61.300 -0.034 0.000 1.038 894 I CB 2.331 40.332 38.000 0.001 0.000 1.244 894 I HN 0.340 nan 8.210 nan 0.000 0.420 895 R N 5.330 125.865 120.500 0.058 0.000 2.515 895 R HA 0.704 5.045 4.340 0.001 0.000 0.291 895 R C -1.555 174.820 176.300 0.125 0.000 1.046 895 R CA -0.623 55.538 56.100 0.101 0.000 0.914 895 R CB 1.922 32.276 30.300 0.090 0.000 1.191 895 R HN 0.809 nan 8.270 nan 0.000 0.435 896 G N 1.878 110.780 108.800 0.170 0.000 2.513 896 G HA2 0.489 4.450 3.960 0.001 0.000 0.317 896 G HA3 0.489 4.450 3.960 0.001 0.000 0.317 896 G C -0.678 174.325 174.900 0.171 0.000 1.277 896 G CA -0.475 44.752 45.100 0.212 0.000 0.955 896 G HN 0.602 nan 8.290 nan 0.000 0.484 897 T N -1.029 113.612 114.554 0.145 0.000 2.924 897 T HA 0.853 5.203 4.350 0.001 0.000 0.291 897 T C 0.041 174.756 174.700 0.025 0.000 1.045 897 T CA -0.622 61.498 62.100 0.032 0.000 1.015 897 T CB 2.366 71.198 68.868 -0.059 0.000 1.103 897 T HN 1.194 nan 8.240 nan 0.000 0.496 898 G N 1.017 109.739 108.800 -0.132 0.000 2.701 898 G HA2 0.633 4.594 3.960 0.001 0.000 0.300 898 G HA3 0.633 4.594 3.960 0.001 0.000 0.300 898 G C -1.331 173.373 174.900 -0.328 0.000 1.410 898 G CA -0.875 44.105 45.100 -0.200 0.000 1.014 898 G HN 0.630 nan 8.290 nan 0.000 0.509 899 R N 1.014 121.271 120.500 -0.405 0.000 2.686 899 R HA 0.456 4.797 4.340 0.001 0.000 0.286 899 R C -0.697 175.553 176.300 -0.083 0.000 0.969 899 R CA -0.864 55.039 56.100 -0.328 0.000 0.898 899 R CB 2.089 32.053 30.300 -0.560 0.000 1.183 899 R HN 0.477 nan 8.270 nan 0.000 0.456 900 L N 2.334 123.588 121.223 0.052 0.000 2.257 900 L HA 0.440 4.781 4.340 0.001 0.000 0.290 900 L C -0.088 176.955 176.870 0.287 0.000 1.044 900 L CA -0.806 54.129 54.840 0.158 0.000 0.810 900 L CB 1.266 43.450 42.059 0.209 0.000 1.193 900 L HN 0.389 nan 8.230 nan 0.000 0.425 901 C N 3.279 122.702 119.300 0.205 0.000 2.415 901 C HA 0.223 4.683 4.460 0.001 0.000 0.369 901 C C 0.707 175.631 174.990 -0.111 0.000 1.279 901 C CA -0.674 58.374 59.018 0.050 0.000 1.886 901 C CB 0.425 28.187 27.740 0.037 0.000 2.468 901 C HN 0.700 nan 8.230 nan 0.000 0.553 902 K N 3.259 123.431 120.400 -0.380 0.000 2.253 902 K HA 0.542 4.862 4.320 0.001 0.000 0.277 902 K C 0.002 176.409 176.600 -0.322 0.000 1.053 902 K CA 0.097 56.031 56.287 -0.588 0.000 0.892 902 K CB 0.626 32.469 32.500 -1.095 0.000 1.102 902 K HN 0.902 nan 8.250 nan 0.000 0.469 903 T N 0.325 114.771 114.554 -0.180 0.000 2.841 903 T HA 0.306 4.657 4.350 0.001 0.000 0.296 903 T C -0.405 174.212 174.700 -0.138 0.000 1.166 903 T CA -1.121 60.884 62.100 -0.159 0.000 1.007 903 T CB 0.980 69.770 68.868 -0.131 0.000 1.253 903 T HN 0.555 nan 8.240 nan 0.000 0.511 904 N N 0.685 119.293 118.700 -0.153 0.000 3.331 904 N HA 0.505 5.245 4.740 0.001 0.000 0.303 904 N C -0.910 174.543 175.510 -0.095 0.000 1.326 904 N CA -0.233 52.734 53.050 -0.139 0.000 1.207 904 N CB -0.191 38.203 38.487 -0.154 0.000 1.477 904 N HN 0.388 nan 8.380 nan 0.000 0.541 905 L N -0.421 120.746 121.223 -0.092 0.000 2.393 905 L HA 0.451 4.792 4.340 0.001 0.000 0.260 905 L C 0.049 176.894 176.870 -0.042 0.000 1.002 905 L CA -1.076 53.714 54.840 -0.084 0.000 0.818 905 L CB 1.944 43.899 42.059 -0.174 0.000 1.369 905 L HN 0.109 nan 8.230 nan 0.000 0.412 906 S N 0.748 116.450 115.700 0.004 0.000 2.558 906 S HA -0.042 4.428 4.470 0.001 0.000 0.291 906 S C 0.245 174.850 174.600 0.008 0.000 1.306 906 S CA -0.001 58.212 58.200 0.022 0.000 1.056 906 S CB 0.680 63.924 63.200 0.073 0.000 0.836 906 S HN 0.561 nan 8.310 nan 0.000 0.504 907 S N 3.259 118.967 115.700 0.013 0.000 2.515 907 S HA 0.064 4.534 4.470 0.001 0.000 0.285 907 S C 0.241 174.858 174.600 0.028 0.000 1.265 907 S CA -0.595 57.620 58.200 0.024 0.000 1.079 907 S CB -0.269 62.953 63.200 0.036 0.000 0.877 907 S HN 0.606 nan 8.310 nan 0.000 0.493 908 N N 2.758 121.423 118.700 -0.060 0.000 2.445 908 N HA 0.452 5.193 4.740 0.001 0.000 0.264 908 N C 0.226 175.780 175.510 0.074 0.000 1.227 908 N CA -0.170 52.793 53.050 -0.145 0.000 0.963 908 N CB 1.573 39.693 38.487 -0.612 0.000 1.188 908 N HN 0.687 nan 8.380 nan 0.000 0.491 909 T N -1.445 113.258 114.554 0.248 0.000 2.598 909 T HA 0.640 4.991 4.350 0.001 0.000 0.289 909 T C -1.276 173.697 174.700 0.455 0.000 1.056 909 T CA -0.530 61.800 62.100 0.384 0.000 1.088 909 T CB 0.364 69.433 68.868 0.335 0.000 1.519 909 T HN 0.468 nan 8.240 nan 0.000 0.488 910 A N 1.122 124.227 122.820 0.476 0.000 2.477 910 A HA 0.602 4.922 4.320 0.001 0.000 0.246 910 A C -0.750 177.243 177.584 0.681 0.000 1.078 910 A CA 0.008 52.399 52.037 0.591 0.000 0.770 910 A CB -0.689 18.731 19.000 0.700 0.000 1.011 910 A HN 0.726 nan 8.150 nan 0.000 0.494 911 F N 2.179 122.404 119.950 0.458 0.000 2.605 911 F HA 0.420 4.947 4.527 0.001 0.000 0.320 911 F C 0.428 176.405 175.800 0.295 0.000 1.159 911 F CA -1.068 57.173 58.000 0.401 0.000 0.999 911 F CB 1.176 40.254 39.000 0.130 0.000 1.258 911 F HN 0.785 nan 8.300 nan 0.000 0.464 912 R N 4.054 125.006 120.500 0.754 0.000 3.651 912 R HA 0.024 4.365 4.340 0.001 0.000 0.201 912 R C 0.964 177.453 176.300 0.316 0.000 0.627 912 R CA 2.096 58.478 56.100 0.470 0.000 0.952 912 R CB -0.547 30.023 30.300 0.449 0.000 1.005 912 R HN 1.187 nan 8.270 nan 0.000 0.327 913 G N 3.712 112.667 108.800 0.259 0.000 2.339 913 G HA2 -0.314 3.647 3.960 0.001 0.000 0.209 913 G HA3 -0.314 3.647 3.960 0.001 0.000 0.209 913 G C 0.308 175.474 174.900 0.442 0.000 1.015 913 G CA -0.045 45.212 45.100 0.262 0.000 0.635 913 G HN 0.866 nan 8.290 nan 0.000 0.499 914 F N 0.580 120.653 119.950 0.205 0.000 3.027 914 F HA 0.047 4.575 4.527 0.001 0.000 0.276 914 F C 1.725 177.584 175.800 0.098 0.000 0.967 914 F CA 2.565 60.678 58.000 0.189 0.000 0.929 914 F CB -0.978 38.145 39.000 0.205 0.000 0.873 914 F HN 2.058 nan 8.300 nan 0.000 0.787 915 G N -0.561 108.216 108.800 -0.037 0.000 2.234 915 G HA2 -0.253 3.707 3.960 0.001 0.000 0.235 915 G HA3 -0.253 3.707 3.960 0.001 0.000 0.235 915 G C 1.478 176.275 174.900 -0.173 0.000 0.997 915 G CA 0.684 45.679 45.100 -0.175 0.000 0.623 915 G HN 1.520 nan 8.290 nan 0.000 0.514 916 G N 1.649 110.417 108.800 -0.053 0.000 2.433 916 G HA2 0.095 4.056 3.960 0.001 0.000 0.216 916 G HA3 0.095 4.056 3.960 0.001 0.000 0.216 916 G C 0.121 174.953 174.900 -0.113 0.000 1.186 916 G CA 1.957 46.968 45.100 -0.149 0.000 0.779 916 G HN 0.528 nan 8.290 nan 0.000 0.543 917 P HA -0.094 nan 4.420 nan 0.000 0.215 917 P C 1.766 179.117 177.300 0.086 0.000 1.153 917 P CA 1.337 64.518 63.100 0.134 0.000 0.853 917 P CB -0.014 31.769 31.700 0.138 0.000 0.788 918 Q N -0.233 119.468 119.800 -0.165 0.000 1.975 918 Q HA -0.150 4.191 4.340 0.001 0.000 0.205 918 Q C 2.378 178.293 176.000 -0.143 0.000 0.990 918 Q CA 2.270 57.901 55.803 -0.285 0.000 0.845 918 Q CB -1.520 26.583 28.738 -1.057 0.000 0.913 918 Q HN 0.147 nan 8.270 nan 0.000 0.420 919 A N 0.340 123.014 122.820 -0.244 0.000 1.883 919 A HA -0.184 4.137 4.320 0.001 0.000 0.217 919 A C 2.119 179.674 177.584 -0.048 0.000 1.186 919 A CA 1.536 53.550 52.037 -0.038 0.000 0.624 919 A CB -0.873 18.104 19.000 -0.037 0.000 0.822 919 A HN 0.350 nan 8.150 nan 0.000 0.444 920 L N -2.114 118.969 121.223 -0.233 0.000 2.201 920 L HA -0.106 4.235 4.340 0.001 0.000 0.212 920 L C 2.400 178.974 176.870 -0.493 0.000 1.105 920 L CA 1.208 55.708 54.840 -0.566 0.000 0.775 920 L CB -0.428 40.887 42.059 -1.239 0.000 0.913 920 L HN 0.539 nan 8.230 nan 0.000 0.440 921 F N 0.707 120.515 119.950 -0.236 0.000 2.206 921 F HA -0.139 4.388 4.527 0.001 0.000 0.298 921 F C 2.155 177.926 175.800 -0.048 0.000 1.090 921 F CA 1.262 59.318 58.000 0.093 0.000 1.323 921 F CB -0.108 38.979 39.000 0.145 0.000 1.028 921 F HN -0.115 nan 8.300 nan 0.000 0.492 922 I N 0.517 121.011 120.570 -0.126 0.000 2.226 922 I HA -0.297 3.873 4.170 0.001 0.000 0.245 922 I C 2.723 178.568 176.117 -0.453 0.000 1.100 922 I CA 1.308 62.466 61.300 -0.237 0.000 1.374 922 I CB -0.952 37.074 38.000 0.044 0.000 1.057 922 I HN 0.243 nan 8.210 nan 0.000 0.413 923 A N 0.214 122.790 122.820 -0.408 0.000 1.902 923 A HA -0.185 4.136 4.320 0.001 0.000 0.217 923 A C 2.247 179.031 177.584 -1.332 0.000 1.181 923 A CA 1.509 53.043 52.037 -0.838 0.000 0.623 923 A CB -0.402 18.407 19.000 -0.319 0.000 0.818 923 A HN 0.330 nan 8.150 nan 0.000 0.443 924 E N -0.203 119.537 120.200 -0.766 0.000 2.152 924 E HA -0.156 4.194 4.350 0.001 0.000 0.192 924 E C 1.780 177.800 176.600 -0.967 0.000 0.983 924 E CA 1.102 56.998 56.400 -0.841 0.000 0.818 924 E CB -0.483 28.819 29.700 -0.663 0.000 0.758 924 E HN 0.728 nan 8.360 nan 0.000 0.467 925 N N 1.307 119.586 118.700 -0.703 0.000 2.043 925 N HA -0.174 4.567 4.740 0.001 0.000 0.193 925 N C 1.928 177.191 175.510 -0.412 0.000 1.037 925 N CA 2.132 54.936 53.050 -0.410 0.000 0.851 925 N CB -0.335 37.863 38.487 -0.482 0.000 1.027 925 N HN 0.390 nan 8.380 nan 0.000 0.422 926 W N -0.653 120.391 121.300 -0.426 0.000 2.436 926 W HA -0.014 4.647 4.660 0.001 0.000 0.284 926 W C 1.709 178.042 176.519 -0.310 0.000 1.225 926 W CA 0.184 57.328 57.345 -0.336 0.000 1.271 926 W CB -0.801 28.466 29.460 -0.322 0.000 1.114 926 W HN 0.141 nan 8.180 nan 0.000 0.559 927 M N 3.357 122.475 119.600 -0.803 0.000 2.159 927 M HA -0.191 4.290 4.480 0.001 0.000 0.263 927 M C 2.471 178.553 176.300 -0.364 0.000 1.063 927 M CA 2.786 57.727 55.300 -0.598 0.000 1.110 927 M CB -0.709 31.281 32.600 -1.016 0.000 1.374 927 M HN 0.075 nan 8.290 nan 0.000 0.411 928 S N -1.039 114.435 115.700 -0.377 0.000 2.414 928 S HA -0.077 4.394 4.470 0.001 0.000 0.227 928 S C 1.749 176.282 174.600 -0.112 0.000 1.022 928 S CA 1.141 59.204 58.200 -0.229 0.000 0.958 928 S CB -0.709 62.380 63.200 -0.185 0.000 0.797 928 S HN 0.688 nan 8.310 nan 0.000 0.493 929 E N 0.813 120.960 120.200 -0.088 0.000 2.152 929 E HA -0.025 4.325 4.350 0.001 0.000 0.192 929 E C 2.025 178.563 176.600 -0.104 0.000 0.983 929 E CA 0.991 57.375 56.400 -0.026 0.000 0.818 929 E CB -0.257 29.483 29.700 0.067 0.000 0.758 929 E HN 0.393 nan 8.360 nan 0.000 0.467 930 V N 1.387 121.157 119.914 -0.240 0.000 2.343 930 V HA -0.278 3.842 4.120 0.001 0.000 0.247 930 V C 2.313 178.257 176.094 -0.250 0.000 1.051 930 V CA 1.890 63.864 62.300 -0.544 0.000 1.036 930 V CB -0.618 30.822 31.823 -0.639 0.000 0.654 930 V HN 0.318 nan 8.190 nan 0.000 0.451 931 A N -0.379 122.359 122.820 -0.136 0.000 1.898 931 A HA -0.146 4.175 4.320 0.001 0.000 0.216 931 A C 2.398 179.993 177.584 0.019 0.000 1.181 931 A CA 1.971 53.985 52.037 -0.038 0.000 0.620 931 A CB -0.657 18.329 19.000 -0.023 0.000 0.819 931 A HN 0.320 nan 8.150 nan 0.000 0.442 932 V N -0.233 119.692 119.914 0.019 0.000 2.295 932 V HA -0.233 3.887 4.120 0.001 0.000 0.246 932 V C 2.752 178.901 176.094 0.091 0.000 1.049 932 V CA 2.525 64.862 62.300 0.061 0.000 1.024 932 V CB -1.178 30.686 31.823 0.068 0.000 0.648 932 V HN 0.607 nan 8.190 nan 0.000 0.447 933 T N -1.425 113.195 114.554 0.110 0.000 2.833 933 T HA -0.198 4.152 4.350 0.001 0.000 0.269 933 T C 1.779 176.604 174.700 0.209 0.000 1.054 933 T CA 1.786 64.003 62.100 0.196 0.000 1.135 933 T CB -0.440 68.639 68.868 0.351 0.000 0.869 933 T HN 0.544 nan 8.240 nan 0.000 0.466 934 C N 0.876 120.296 119.300 0.199 0.000 2.500 934 C HA 0.380 4.840 4.460 0.001 0.000 0.273 934 C C 2.141 177.200 174.990 0.116 0.000 1.428 934 C CA -0.313 58.812 59.018 0.179 0.000 1.766 934 C CB -1.432 26.416 27.740 0.181 0.000 1.817 934 C HN 0.780 nan 8.230 nan 0.000 0.543 935 G N 1.081 109.941 108.800 0.100 0.000 2.305 935 G HA2 -0.260 3.701 3.960 0.001 0.000 0.287 935 G HA3 -0.260 3.701 3.960 0.001 0.000 0.287 935 G C -0.251 174.697 174.900 0.080 0.000 1.036 935 G CA 0.216 45.365 45.100 0.082 0.000 0.887 935 G HN 0.567 nan 8.290 nan 0.000 0.505 936 L N -0.532 120.741 121.223 0.083 0.000 2.334 936 L HA 0.532 4.873 4.340 0.001 0.000 0.273 936 L C -1.918 175.011 176.870 0.098 0.000 1.013 936 L CA -2.711 52.182 54.840 0.088 0.000 0.816 936 L CB 1.716 43.829 42.059 0.089 0.000 1.278 936 L HN -0.162 nan 8.230 nan 0.000 0.431 937 P HA -0.046 nan 4.420 nan 0.000 0.260 937 P C 0.221 177.617 177.300 0.160 0.000 1.172 937 P CA 0.135 63.329 63.100 0.157 0.000 0.760 937 P CB 0.800 32.623 31.700 0.204 0.000 0.773 938 A N 4.841 127.754 122.820 0.154 0.000 1.978 938 A HA -0.221 4.100 4.320 0.001 0.000 0.220 938 A C 1.898 179.593 177.584 0.184 0.000 1.170 938 A CA 1.648 53.759 52.037 0.123 0.000 0.636 938 A CB -0.768 18.294 19.000 0.104 0.000 0.810 938 A HN 0.660 nan 8.150 nan 0.000 0.448 939 E N 0.423 120.780 120.200 0.262 0.000 2.208 939 E HA -0.187 4.163 4.350 0.001 0.000 0.193 939 E C 1.465 178.327 176.600 0.436 0.000 0.988 939 E CA 1.329 57.958 56.400 0.381 0.000 0.828 939 E CB -0.513 29.278 29.700 0.152 0.000 0.763 939 E HN 0.760 nan 8.360 nan 0.000 0.478 940 E N 0.784 121.174 120.200 0.317 0.000 2.072 940 E HA -0.078 4.272 4.350 0.001 0.000 0.190 940 E C 2.295 179.030 176.600 0.225 0.000 0.982 940 E CA 1.228 57.807 56.400 0.298 0.000 0.803 940 E CB 0.125 29.957 29.700 0.220 0.000 0.755 940 E HN 0.095 nan 8.360 nan 0.000 0.453 941 V N 1.138 121.130 119.914 0.131 0.000 2.427 941 V HA -0.240 3.881 4.120 0.001 0.000 0.248 941 V C 2.232 178.292 176.094 -0.058 0.000 1.051 941 V CA 1.651 63.965 62.300 0.024 0.000 1.048 941 V CB -0.419 31.392 31.823 -0.021 0.000 0.666 941 V HN 0.170 nan 8.190 nan 0.000 0.456 942 R N -1.107 119.380 120.500 -0.022 0.000 2.062 942 R HA -0.164 4.177 4.340 0.001 0.000 0.231 942 R C 2.282 178.533 176.300 -0.082 0.000 1.136 942 R CA 1.918 57.944 56.100 -0.123 0.000 0.948 942 R CB -0.460 29.827 30.300 -0.020 0.000 0.845 942 R HN 0.702 nan 8.270 nan 0.000 0.430 943 W N 3.436 124.595 121.300 -0.235 0.000 2.317 943 W HA -0.314 4.347 4.660 0.001 0.000 0.318 943 W C 1.574 178.016 176.519 -0.128 0.000 1.227 943 W CA 2.099 59.282 57.345 -0.270 0.000 1.269 943 W CB -0.053 29.393 29.460 -0.024 0.000 1.155 943 W HN 0.096 nan 8.180 nan 0.000 0.484 944 K N -0.213 120.079 120.400 -0.179 0.000 2.283 944 K HA -0.135 4.186 4.320 0.001 0.000 0.202 944 K C 1.331 177.762 176.600 -0.282 0.000 1.048 944 K CA 1.579 57.695 56.287 -0.285 0.000 0.948 944 K CB -0.655 31.809 32.500 -0.059 0.000 0.742 944 K HN 0.042 nan 8.250 nan 0.000 0.458 945 N N 0.558 119.124 118.700 -0.223 0.000 2.412 945 N HA 0.025 4.766 4.740 0.001 0.000 0.184 945 N C 0.122 175.538 175.510 -0.158 0.000 1.101 945 N CA 0.196 53.136 53.050 -0.183 0.000 0.881 945 N CB 0.170 38.537 38.487 -0.201 0.000 0.969 945 N HN 0.319 nan 8.380 nan 0.000 0.459 946 M N 1.096 120.554 119.600 -0.237 0.000 2.219 946 M HA 0.048 4.529 4.480 0.001 0.000 0.353 946 M C -0.374 175.739 176.300 -0.312 0.000 1.304 946 M CA -0.305 54.856 55.300 -0.231 0.000 1.115 946 M CB 0.455 32.849 32.600 -0.344 0.000 1.664 946 M HN 0.022 nan 8.290 nan 0.000 0.459 947 Y N 4.473 124.587 120.300 -0.309 0.000 2.914 947 Y HA -0.124 4.427 4.550 0.001 0.000 0.348 947 Y C 0.601 176.182 175.900 -0.532 0.000 1.278 947 Y CA 0.523 58.307 58.100 -0.526 0.000 1.491 947 Y CB 0.338 38.225 38.460 -0.955 0.000 1.334 947 Y HN 0.469 nan 8.280 nan 0.000 0.650 948 K N 0.536 120.761 120.400 -0.291 0.000 2.400 948 K HA 0.385 4.705 4.320 0.001 0.000 0.246 948 K C -1.024 175.430 176.600 -0.242 0.000 0.995 948 K CA -1.339 54.827 56.287 -0.202 0.000 0.840 948 K CB 1.419 33.840 32.500 -0.130 0.000 1.293 948 K HN 0.371 nan 8.250 nan 0.000 0.445 949 E N 0.464 120.631 120.200 -0.056 0.000 3.288 949 E HA -0.061 4.289 4.350 0.001 0.000 0.237 949 E C 0.781 177.322 176.600 -0.098 0.000 0.958 949 E CA 2.240 58.619 56.400 -0.034 0.000 0.947 949 E CB -0.918 28.801 29.700 0.033 0.000 0.896 949 E HN 0.857 nan 8.360 nan 0.000 0.566 950 G N 3.735 112.449 108.800 -0.145 0.000 2.201 950 G HA2 -0.223 3.738 3.960 0.001 0.000 0.212 950 G HA3 -0.223 3.738 3.960 0.001 0.000 0.212 950 G C -0.138 174.663 174.900 -0.164 0.000 0.994 950 G CA -0.111 44.916 45.100 -0.121 0.000 0.644 950 G HN 0.594 nan 8.290 nan 0.000 0.508 951 D N 0.587 120.849 120.400 -0.229 0.000 2.368 951 D HA 0.467 5.107 4.640 0.001 0.000 0.240 951 D C 1.165 177.287 176.300 -0.297 0.000 1.169 951 D CA 0.121 53.994 54.000 -0.213 0.000 0.906 951 D CB 0.714 41.424 40.800 -0.150 0.000 1.187 951 D HN 0.340 nan 8.370 nan 0.000 0.435 952 L N 0.844 121.937 121.223 -0.216 0.000 2.357 952 L HA 0.279 4.619 4.340 0.001 0.000 0.273 952 L C 1.372 178.060 176.870 -0.303 0.000 1.080 952 L CA -0.703 53.978 54.840 -0.264 0.000 0.803 952 L CB 1.144 43.108 42.059 -0.159 0.000 1.174 952 L HN 0.463 nan 8.230 nan 0.000 0.443 953 T N -2.996 111.247 114.554 -0.518 0.000 2.729 953 T HA 0.038 4.389 4.350 0.001 0.000 0.298 953 T C 1.320 175.888 174.700 -0.220 0.000 1.013 953 T CA -0.261 61.553 62.100 -0.477 0.000 0.957 953 T CB 0.409 68.589 68.868 -1.147 0.000 1.130 953 T HN 0.741 nan 8.240 nan 0.000 0.526 954 H N 0.023 119.011 119.070 -0.136 0.000 2.521 954 H HA 0.016 4.573 4.556 0.001 0.000 0.286 954 H C 1.137 176.525 175.328 0.101 0.000 1.034 954 H CA 0.818 56.885 56.048 0.030 0.000 1.278 954 H CB -0.749 29.099 29.762 0.144 0.000 1.386 954 H HN 0.748 nan 8.280 nan 0.000 0.567 955 F N 0.187 119.981 119.950 -0.261 0.000 2.647 955 F HA 0.416 4.943 4.527 0.001 0.000 0.300 955 F C 0.031 175.859 175.800 0.047 0.000 1.106 955 F CA -1.030 56.898 58.000 -0.119 0.000 1.313 955 F CB -0.142 38.654 39.000 -0.341 0.000 1.007 955 F HN -0.147 nan 8.300 nan 0.000 0.536 956 N N 1.008 119.598 118.700 -0.184 0.000 2.741 956 N HA -0.262 4.479 4.740 0.001 0.000 0.251 956 N C -0.156 175.280 175.510 -0.123 0.000 1.112 956 N CA 1.024 54.007 53.050 -0.112 0.000 0.750 956 N CB -1.243 37.246 38.487 0.003 0.000 1.119 956 N HN 0.747 nan 8.380 nan 0.000 0.561 957 Q N 0.387 120.006 119.800 -0.302 0.000 2.243 957 Q HA 0.311 4.652 4.340 0.001 0.000 0.252 957 Q C 0.208 176.086 176.000 -0.203 0.000 0.909 957 Q CA -0.524 55.195 55.803 -0.139 0.000 0.922 957 Q CB 1.041 29.848 28.738 0.115 0.000 1.215 957 Q HN 0.199 nan 8.270 nan 0.000 0.427 958 R N 3.419 123.867 120.500 -0.086 0.000 2.438 958 R HA 0.210 4.551 4.340 0.001 0.000 0.287 958 R C -0.814 175.435 176.300 -0.084 0.000 1.077 958 R CA -0.158 55.874 56.100 -0.113 0.000 1.034 958 R CB 0.404 30.672 30.300 -0.053 0.000 0.993 958 R HN 0.597 nan 8.270 nan 0.000 0.459 959 L N 4.603 125.698 121.223 -0.213 0.000 2.288 959 L HA 0.283 4.623 4.340 0.001 0.000 0.283 959 L C -0.107 176.754 176.870 -0.014 0.000 1.072 959 L CA 0.071 54.803 54.840 -0.180 0.000 0.862 959 L CB 0.859 42.582 42.059 -0.560 0.000 1.245 959 L HN 0.566 nan 8.230 nan 0.000 0.432 960 E N 1.980 122.250 120.200 0.116 0.000 2.166 960 E HA 0.403 4.754 4.350 0.001 0.000 0.275 960 E C 0.549 177.255 176.600 0.176 0.000 0.941 960 E CA -0.373 56.092 56.400 0.108 0.000 0.784 960 E CB 1.726 31.474 29.700 0.080 0.000 1.115 960 E HN 0.690 nan 8.360 nan 0.000 0.399 961 G N 3.647 112.526 108.800 0.132 0.000 2.338 961 G HA2 -0.305 3.656 3.960 0.001 0.000 0.296 961 G HA3 -0.305 3.656 3.960 0.001 0.000 0.296 961 G C -0.290 174.706 174.900 0.161 0.000 1.040 961 G CA 0.043 45.224 45.100 0.134 0.000 1.004 961 G HN 0.486 nan 8.290 nan 0.000 0.509 962 F N 2.163 122.051 119.950 -0.102 0.000 2.490 962 F HA 0.449 4.976 4.527 0.001 0.000 0.357 962 F C 1.443 176.973 175.800 -0.450 0.000 1.166 962 F CA -0.133 57.617 58.000 -0.416 0.000 1.116 962 F CB 0.664 39.467 39.000 -0.328 0.000 1.171 962 F HN 0.281 nan 8.300 nan 0.000 0.576 963 S N 2.908 117.984 115.700 -1.040 0.000 2.540 963 S HA 0.024 4.495 4.470 0.001 0.000 0.218 963 S C 1.563 175.833 174.600 -0.549 0.000 0.977 963 S CA 0.325 58.219 58.200 -0.511 0.000 0.918 963 S CB -0.344 62.757 63.200 -0.166 0.000 0.806 963 S HN 0.409 nan 8.310 nan 0.000 0.496 964 V N 2.972 122.230 119.914 -1.093 0.000 2.324 964 V HA -0.093 4.027 4.120 0.001 0.000 0.250 964 V C -0.412 175.595 176.094 -0.145 0.000 1.060 964 V CA 2.034 63.969 62.300 -0.607 0.000 1.042 964 V CB -1.775 29.587 31.823 -0.768 0.000 0.650 964 V HN 0.402 nan 8.190 nan 0.000 0.450 965 P HA -0.136 nan 4.420 nan 0.000 0.215 965 P C 1.798 179.216 177.300 0.198 0.000 1.153 965 P CA 1.443 64.715 63.100 0.286 0.000 0.853 965 P CB -0.100 31.824 31.700 0.374 0.000 0.788 966 R N -0.991 119.555 120.500 0.077 0.000 2.081 966 R HA -0.118 4.222 4.340 0.001 0.000 0.235 966 R C 2.282 178.617 176.300 0.059 0.000 1.131 966 R CA 1.681 57.814 56.100 0.056 0.000 0.960 966 R CB -1.204 29.109 30.300 0.021 0.000 0.856 966 R HN 0.223 nan 8.270 nan 0.000 0.436 967 C N -0.553 118.779 119.300 0.053 0.000 2.413 967 C HA -0.164 4.297 4.460 0.001 0.000 0.277 967 C C 2.342 177.403 174.990 0.117 0.000 1.265 967 C CA 0.230 59.294 59.018 0.076 0.000 1.752 967 C CB -1.107 26.684 27.740 0.085 0.000 1.998 967 C HN 0.677 nan 8.230 nan 0.000 0.489 968 W N 1.904 123.184 121.300 -0.034 0.000 2.408 968 W HA -0.081 4.580 4.660 0.001 0.000 0.311 968 W C 1.830 178.288 176.519 -0.101 0.000 1.190 968 W CA 1.482 58.800 57.345 -0.044 0.000 1.321 968 W CB -0.521 28.959 29.460 0.034 0.000 1.143 968 W HN 0.330 nan 8.180 nan 0.000 0.501 969 D N 0.536 120.986 120.400 0.084 0.000 2.123 969 D HA -0.210 4.431 4.640 0.001 0.000 0.196 969 D C 1.902 178.145 176.300 -0.096 0.000 0.992 969 D CA 1.848 55.807 54.000 -0.067 0.000 0.833 969 D CB -0.566 40.215 40.800 -0.031 0.000 0.954 969 D HN 0.399 nan 8.370 nan 0.000 0.455 970 E N -0.141 120.030 120.200 -0.049 0.000 2.072 970 E HA -0.135 4.216 4.350 0.001 0.000 0.191 970 E C 2.214 178.763 176.600 -0.085 0.000 0.985 970 E CA 0.623 56.992 56.400 -0.050 0.000 0.801 970 E CB -0.134 29.555 29.700 -0.018 0.000 0.750 970 E HN 0.238 nan 8.360 nan 0.000 0.452 971 C N 0.781 120.009 119.300 -0.120 0.000 2.453 971 C HA -0.073 4.388 4.460 0.001 0.000 0.277 971 C C 2.565 177.408 174.990 -0.245 0.000 1.262 971 C CA 0.411 59.334 59.018 -0.158 0.000 1.718 971 C CB -1.041 26.605 27.740 -0.156 0.000 2.031 971 C HN 0.378 nan 8.230 nan 0.000 0.480 972 L N 1.100 122.076 121.223 -0.411 0.000 2.010 972 L HA -0.275 4.066 4.340 0.001 0.000 0.219 972 L C 2.677 179.433 176.870 -0.191 0.000 1.077 972 L CA 2.577 57.154 54.840 -0.439 0.000 0.773 972 L CB -0.785 40.953 42.059 -0.534 0.000 0.892 972 L HN 0.470 nan 8.230 nan 0.000 0.436 973 K N 0.046 120.372 120.400 -0.124 0.000 2.007 973 K HA -0.161 4.160 4.320 0.001 0.000 0.206 973 K C 2.297 178.873 176.600 -0.040 0.000 1.047 973 K CA 1.665 57.922 56.287 -0.049 0.000 0.937 973 K CB -0.119 32.359 32.500 -0.036 0.000 0.718 973 K HN 0.328 nan 8.250 nan 0.000 0.438 974 S N 0.035 115.704 115.700 -0.051 0.000 2.428 974 S HA -0.107 4.363 4.470 0.001 0.000 0.230 974 S C 1.928 176.509 174.600 -0.030 0.000 1.014 974 S CA 1.146 59.327 58.200 -0.033 0.000 0.957 974 S CB -0.347 62.835 63.200 -0.029 0.000 0.784 974 S HN 0.442 nan 8.310 nan 0.000 0.499 975 S N 0.770 116.442 115.700 -0.047 0.000 2.562 975 S HA 0.095 4.566 4.470 0.001 0.000 0.221 975 S C 0.637 175.222 174.600 -0.025 0.000 0.975 975 S CA 0.170 58.349 58.200 -0.034 0.000 0.918 975 S CB -0.802 62.374 63.200 -0.041 0.000 0.772 975 S HN 0.597 nan 8.310 nan 0.000 0.531 976 Q N -0.722 119.066 119.800 -0.020 0.000 2.468 976 Q HA -0.287 4.054 4.340 0.001 0.000 0.289 976 Q C 0.237 176.225 176.000 -0.020 0.000 1.299 976 Q CA 0.774 56.575 55.803 -0.004 0.000 0.838 976 Q CB -2.560 26.175 28.738 -0.004 0.000 1.195 976 Q HN 0.810 nan 8.270 nan 0.000 0.456 977 Y N -0.523 119.641 120.300 -0.227 0.000 2.139 977 Y HA -0.343 4.208 4.550 0.001 0.000 0.282 977 Y C 1.549 177.271 175.900 -0.298 0.000 1.179 977 Y CA 2.569 60.465 58.100 -0.340 0.000 1.161 977 Y CB -0.174 37.934 38.460 -0.587 0.000 0.970 977 Y HN 0.400 nan 8.280 nan 0.000 0.511 978 Y N -1.214 119.107 120.300 0.035 0.000 2.269 978 Y HA -0.004 4.547 4.550 0.001 0.000 0.294 978 Y C 2.611 178.459 175.900 -0.088 0.000 1.120 978 Y CA 0.673 58.758 58.100 -0.026 0.000 1.159 978 Y CB -0.746 37.750 38.460 0.059 0.000 1.024 978 Y HN 0.161 nan 8.280 nan 0.000 0.532 979 A N 0.586 123.456 122.820 0.084 0.000 1.940 979 A HA -0.215 4.106 4.320 0.001 0.000 0.219 979 A C 2.171 179.727 177.584 -0.045 0.000 1.176 979 A CA 1.724 53.775 52.037 0.023 0.000 0.631 979 A CB -0.492 18.521 19.000 0.022 0.000 0.814 979 A HN 0.383 nan 8.150 nan 0.000 0.446 980 R N -0.896 119.535 120.500 -0.116 0.000 2.119 980 R HA -0.029 4.312 4.340 0.001 0.000 0.222 980 R C 2.224 178.406 176.300 -0.196 0.000 1.088 980 R CA 1.125 57.135 56.100 -0.150 0.000 0.984 980 R CB -0.224 29.980 30.300 -0.160 0.000 0.884 980 R HN 0.555 nan 8.270 nan 0.000 0.447 981 K N 0.574 120.790 120.400 -0.307 0.000 2.020 981 K HA -0.206 4.115 4.320 0.001 0.000 0.212 981 K C 2.229 178.764 176.600 -0.109 0.000 1.050 981 K CA 2.113 58.237 56.287 -0.272 0.000 0.929 981 K CB -0.175 32.137 32.500 -0.312 0.000 0.714 981 K HN 0.073 nan 8.250 nan 0.000 0.443 982 S N 0.660 116.323 115.700 -0.062 0.000 2.383 982 S HA -0.186 4.285 4.470 0.001 0.000 0.227 982 S C 1.960 176.555 174.600 -0.009 0.000 1.026 982 S CA 1.547 59.737 58.200 -0.017 0.000 0.981 982 S CB -0.285 62.917 63.200 0.003 0.000 0.818 982 S HN 0.434 nan 8.310 nan 0.000 0.472 983 E N 0.615 120.803 120.200 -0.020 0.000 2.150 983 E HA -0.094 4.256 4.350 0.001 0.000 0.193 983 E C 1.954 178.571 176.600 0.029 0.000 0.985 983 E CA 1.289 57.692 56.400 0.006 0.000 0.814 983 E CB -0.223 29.471 29.700 -0.010 0.000 0.752 983 E HN 0.508 nan 8.360 nan 0.000 0.466 984 V N 2.014 121.919 119.914 -0.014 0.000 2.453 984 V HA -0.194 3.927 4.120 0.001 0.000 0.247 984 V C 1.933 178.072 176.094 0.076 0.000 1.048 984 V CA 1.978 64.282 62.300 0.006 0.000 1.049 984 V CB -0.406 31.380 31.823 -0.061 0.000 0.672 984 V HN 0.222 nan 8.190 nan 0.000 0.457 985 D N -0.002 120.420 120.400 0.037 0.000 2.117 985 D HA -0.189 4.451 4.640 0.001 0.000 0.197 985 D C 2.095 178.426 176.300 0.051 0.000 0.987 985 D CA 1.439 55.462 54.000 0.039 0.000 0.829 985 D CB -0.113 40.698 40.800 0.018 0.000 0.961 985 D HN 0.418 nan 8.370 nan 0.000 0.460 986 K N 0.181 120.614 120.400 0.055 0.000 1.991 986 K HA -0.187 4.134 4.320 0.001 0.000 0.212 986 K C 2.206 178.851 176.600 0.074 0.000 1.049 986 K CA 0.995 57.312 56.287 0.050 0.000 0.932 986 K CB -0.469 32.062 32.500 0.051 0.000 0.717 986 K HN 0.023 nan 8.250 nan 0.000 0.441 987 F N 2.204 122.144 119.950 -0.018 0.000 2.115 987 F HA -0.296 4.232 4.527 0.001 0.000 0.300 987 F C 1.707 177.495 175.800 -0.020 0.000 1.092 987 F CA 1.917 59.909 58.000 -0.014 0.000 1.245 987 F CB -0.255 38.737 39.000 -0.014 0.000 0.995 987 F HN 0.209 nan 8.300 nan 0.000 0.481 988 N N 0.496 119.301 118.700 0.175 0.000 2.309 988 N HA -0.129 4.612 4.740 0.001 0.000 0.182 988 N C 1.698 177.158 175.510 -0.082 0.000 1.018 988 N CA 1.039 54.121 53.050 0.054 0.000 0.876 988 N CB -0.325 38.214 38.487 0.086 0.000 0.972 988 N HN 0.398 nan 8.380 nan 0.000 0.434 989 K N 0.725 121.084 120.400 -0.067 0.000 2.148 989 K HA -0.015 4.306 4.320 0.001 0.000 0.204 989 K C 1.082 177.610 176.600 -0.121 0.000 1.050 989 K CA 0.910 57.149 56.287 -0.081 0.000 0.942 989 K CB 0.101 32.574 32.500 -0.045 0.000 0.724 989 K HN 0.283 nan 8.250 nan 0.000 0.446 990 E N -0.057 120.039 120.200 -0.173 0.000 2.479 990 E HA 0.065 4.416 4.350 0.001 0.000 0.193 990 E C -0.375 176.066 176.600 -0.264 0.000 1.049 990 E CA 0.005 56.292 56.400 -0.189 0.000 0.870 990 E CB 0.408 30.005 29.700 -0.171 0.000 0.944 990 E HN 0.171 nan 8.360 nan 0.000 0.492 991 N N -0.082 118.404 118.700 -0.357 0.000 2.480 991 N HA 0.090 4.830 4.740 0.001 0.000 0.289 991 N C -0.590 174.745 175.510 -0.292 0.000 1.073 991 N CA -0.229 52.598 53.050 -0.371 0.000 0.885 991 N CB 1.796 39.866 38.487 -0.695 0.000 1.421 991 N HN -0.021 nan 8.380 nan 0.000 0.503 992 C N 1.341 120.448 119.300 -0.322 0.000 2.492 992 C HA 0.114 4.575 4.460 0.001 0.000 0.279 992 C C 1.189 175.751 174.990 -0.713 0.000 1.335 992 C CA 0.181 58.825 59.018 -0.623 0.000 1.734 992 C CB -0.566 26.650 27.740 -0.873 0.000 2.027 992 C HN 0.837 nan 8.230 nan 0.000 0.496 993 W N 0.947 122.247 121.300 0.000 0.000 2.991 993 W HA 0.382 5.043 4.660 0.001 0.000 0.391 993 W C 0.433 177.009 176.519 0.095 0.000 1.054 993 W CA -0.299 57.088 57.345 0.071 0.000 1.856 993 W CB 0.200 29.690 29.460 0.050 0.000 1.132 993 W HN 0.016 nan 8.180 nan 0.000 0.601 994 K N 1.105 121.641 120.400 0.227 0.000 2.469 994 K HA 0.474 4.795 4.320 0.001 0.000 0.254 994 K C -0.387 176.418 176.600 0.342 0.000 0.939 994 K CA -0.971 55.494 56.287 0.296 0.000 0.812 994 K CB 2.438 35.173 32.500 0.392 0.000 1.301 994 K HN -0.422 nan 8.250 nan 0.000 0.433 995 K N 2.014 122.610 120.400 0.327 0.000 2.477 995 K HA 0.472 4.792 4.320 0.001 0.000 0.255 995 K C -0.728 175.967 176.600 0.159 0.000 0.952 995 K CA -0.823 55.643 56.287 0.299 0.000 0.826 995 K CB 2.436 35.016 32.500 0.134 0.000 1.331 995 K HN 0.522 nan 8.250 nan 0.000 0.437 996 R N -0.205 120.354 120.500 0.098 0.000 2.720 996 R HA 0.721 5.062 4.340 0.001 0.000 0.272 996 R C 0.071 176.355 176.300 -0.027 0.000 0.991 996 R CA -0.841 55.207 56.100 -0.086 0.000 1.010 996 R CB 1.775 31.906 30.300 -0.282 0.000 1.141 996 R HN 0.770 nan 8.270 nan 0.000 0.494 997 G N 0.869 109.639 108.800 -0.050 0.000 2.659 997 G HA2 0.593 4.554 3.960 0.001 0.000 0.296 997 G HA3 0.593 4.554 3.960 0.001 0.000 0.296 997 G C -2.076 172.804 174.900 -0.032 0.000 1.369 997 G CA -0.425 44.661 45.100 -0.024 0.000 0.937 997 G HN 0.352 nan 8.290 nan 0.000 0.485 998 L N 0.697 121.914 121.223 -0.011 0.000 2.505 998 L HA 0.803 5.143 4.340 0.001 0.000 0.266 998 L C -1.038 175.885 176.870 0.088 0.000 0.954 998 L CA -0.549 54.285 54.840 -0.009 0.000 0.852 998 L CB 1.703 43.688 42.059 -0.123 0.000 1.282 998 L HN 0.827 nan 8.230 nan 0.000 0.403 999 C N 5.510 124.895 119.300 0.142 0.000 2.985 999 C HA 0.726 5.186 4.460 0.001 0.000 0.314 999 C C -1.261 173.826 174.990 0.161 0.000 1.215 999 C CA -0.797 58.337 59.018 0.194 0.000 1.414 999 C CB 1.180 29.039 27.740 0.199 0.000 1.842 999 C HN 0.931 nan 8.230 nan 0.000 0.477 1000 I N 6.571 127.199 120.570 0.096 0.000 2.466 1000 I HA 0.753 4.923 4.170 0.001 0.000 0.289 1000 I C -0.879 175.312 176.117 0.124 0.000 1.026 1000 I CA -0.711 60.553 61.300 -0.060 0.000 1.078 1000 I CB 1.236 38.911 38.000 -0.542 0.000 1.249 1000 I HN 0.774 nan 8.210 nan 0.000 0.429 1001 I N 6.445 127.141 120.570 0.209 0.000 2.730 1001 I HA 0.775 4.945 4.170 0.001 0.000 0.298 1001 I C -2.883 173.472 176.117 0.397 0.000 1.089 1001 I CA -2.085 59.411 61.300 0.328 0.000 1.041 1001 I CB 2.173 40.277 38.000 0.175 0.000 1.235 1001 I HN 0.255 nan 8.210 nan 0.000 0.423 1002 P HA 0.462 nan 4.420 nan 0.000 0.284 1002 P C -0.855 176.616 177.300 0.285 0.000 1.287 1002 P CA -0.344 62.940 63.100 0.307 0.000 0.824 1002 P CB 2.098 33.876 31.700 0.130 0.000 1.180 1003 T N -1.395 113.323 114.554 0.274 0.000 2.853 1003 T HA 0.550 4.901 4.350 0.001 0.000 0.311 1003 T C -1.619 173.258 174.700 0.295 0.000 1.307 1003 T CA -0.712 61.567 62.100 0.298 0.000 1.019 1003 T CB 1.103 70.241 68.868 0.449 0.000 1.264 1003 T HN 0.651 nan 8.240 nan 0.000 0.497 1004 K N 1.782 122.359 120.400 0.296 0.000 2.469 1004 K HA 0.773 5.094 4.320 0.001 0.000 0.254 1004 K C -1.980 174.834 176.600 0.356 0.000 0.939 1004 K CA -0.906 55.565 56.287 0.308 0.000 0.812 1004 K CB 2.152 34.879 32.500 0.378 0.000 1.301 1004 K HN 0.460 nan 8.250 nan 0.000 0.433 1005 F N 1.063 121.065 119.950 0.088 0.000 2.585 1005 F HA 0.449 4.976 4.527 0.001 0.000 0.319 1005 F C -0.403 175.300 175.800 -0.160 0.000 1.165 1005 F CA -0.250 57.776 58.000 0.044 0.000 0.949 1005 F CB 2.074 41.025 39.000 -0.081 0.000 1.218 1005 F HN 0.812 nan 8.300 nan 0.000 0.453 1006 G N 6.195 114.528 108.800 -0.780 0.000 2.403 1006 G HA2 0.472 4.432 3.960 0.001 0.000 0.259 1006 G HA3 0.472 4.432 3.960 0.001 0.000 0.259 1006 G C -0.885 173.271 174.900 -1.241 0.000 1.244 1006 G CA -0.468 43.564 45.100 -1.780 0.000 0.849 1006 G HN 0.491 nan 8.290 nan 0.000 0.532 1007 I N 2.432 122.477 120.570 -0.875 0.000 2.359 1007 I HA 0.476 4.646 4.170 0.001 0.000 0.284 1007 I C 0.223 176.168 176.117 -0.288 0.000 1.018 1007 I CA -0.404 60.566 61.300 -0.548 0.000 1.173 1007 I CB -0.180 37.271 38.000 -0.915 0.000 1.326 1007 I HN 0.708 nan 8.210 nan 0.000 0.462 1008 S N 4.747 120.357 115.700 -0.150 0.000 2.735 1008 S HA 0.362 4.832 4.470 0.001 0.000 0.276 1008 S C -1.071 173.460 174.600 -0.115 0.000 0.957 1008 S CA -0.952 57.191 58.200 -0.096 0.000 0.933 1008 S CB 0.099 63.280 63.200 -0.033 0.000 1.182 1008 S HN 0.131 nan 8.310 nan 0.000 0.459 1009 F N 2.146 122.019 119.950 -0.129 0.000 2.443 1009 F HA 0.377 4.905 4.527 0.001 0.000 0.353 1009 F C 2.364 178.080 175.800 -0.141 0.000 1.101 1009 F CA 0.553 58.461 58.000 -0.155 0.000 1.226 1009 F CB 1.307 40.178 39.000 -0.215 0.000 1.140 1009 F HN 0.912 nan 8.300 nan 0.000 0.557 1010 T N -0.924 113.694 114.554 0.106 0.000 2.995 1010 T HA -0.036 4.315 4.350 0.001 0.000 0.269 1010 T C 0.665 175.403 174.700 0.064 0.000 1.091 1010 T CA 0.201 62.306 62.100 0.009 0.000 1.128 1010 T CB -0.287 68.678 68.868 0.162 0.000 0.891 1010 T HN 0.298 nan 8.240 nan 0.000 0.492 1011 V N 4.191 124.144 119.914 0.065 0.000 2.405 1011 V HA 0.229 4.350 4.120 0.001 0.000 0.264 1011 V C -1.374 174.649 176.094 -0.117 0.000 1.048 1011 V CA -1.964 60.334 62.300 -0.004 0.000 0.966 1011 V CB 1.404 33.184 31.823 -0.073 0.000 1.015 1011 V HN 0.163 nan 8.190 nan 0.000 0.477 1012 P HA -0.191 nan 4.420 nan 0.000 0.216 1012 P C 1.467 178.736 177.300 -0.051 0.000 1.150 1012 P CA 1.524 64.610 63.100 -0.023 0.000 0.843 1012 P CB -0.040 31.681 31.700 0.035 0.000 0.787 1013 F N -1.023 118.894 119.950 -0.056 0.000 2.250 1013 F HA -0.101 4.426 4.527 0.001 0.000 0.301 1013 F C 1.607 177.315 175.800 -0.155 0.000 1.077 1013 F CA 1.108 59.059 58.000 -0.083 0.000 1.348 1013 F CB -1.682 37.279 39.000 -0.065 0.000 1.040 1013 F HN -0.188 nan 8.300 nan 0.000 0.509 1014 L N 0.739 121.519 121.223 -0.738 0.000 2.395 1014 L HA -0.022 4.318 4.340 0.001 0.000 0.218 1014 L C 0.631 177.179 176.870 -0.536 0.000 1.130 1014 L CA 0.344 54.672 54.840 -0.854 0.000 0.826 1014 L CB -0.720 40.380 42.059 -1.599 0.000 0.941 1014 L HN 0.166 nan 8.230 nan 0.000 0.451 1015 N N 2.674 121.233 118.700 -0.235 0.000 3.178 1015 N HA 0.068 4.809 4.740 0.001 0.000 0.300 1015 N C -0.524 174.881 175.510 -0.175 0.000 1.242 1015 N CA 0.164 53.163 53.050 -0.085 0.000 1.192 1015 N CB 0.293 38.754 38.487 -0.043 0.000 1.463 1015 N HN 0.506 nan 8.380 nan 0.000 0.539 1016 Q N -0.805 118.865 119.800 -0.216 0.000 2.377 1016 Q HA 0.801 5.142 4.340 0.001 0.000 0.279 1016 Q C -1.892 173.869 176.000 -0.399 0.000 1.049 1016 Q CA -1.277 54.315 55.803 -0.351 0.000 0.825 1016 Q CB 2.145 30.803 28.738 -0.134 0.000 1.401 1016 Q HN 0.120 nan 8.270 nan 0.000 0.404 1017 A N 0.875 123.299 122.820 -0.660 0.000 2.488 1017 A HA 0.876 5.197 4.320 0.001 0.000 0.295 1017 A C -0.743 176.649 177.584 -0.320 0.000 1.045 1017 A CA -0.095 51.677 52.037 -0.440 0.000 0.703 1017 A CB 1.811 20.400 19.000 -0.684 0.000 1.271 1017 A HN 0.924 nan 8.150 nan 0.000 0.400 1018 G N -0.187 108.709 108.800 0.160 0.000 2.568 1018 G HA2 0.922 4.883 3.960 0.001 0.000 0.313 1018 G HA3 0.922 4.883 3.960 0.001 0.000 0.313 1018 G C -0.430 174.662 174.900 0.320 0.000 1.227 1018 G CA -0.123 45.173 45.100 0.326 0.000 0.979 1018 G HN 1.976 nan 8.290 nan 0.000 0.486 1019 A N -0.604 122.365 122.820 0.248 0.000 2.572 1019 A HA 0.759 5.080 4.320 0.001 0.000 0.295 1019 A C -1.932 175.716 177.584 0.106 0.000 1.072 1019 A CA -0.547 51.604 52.037 0.190 0.000 0.691 1019 A CB 2.090 21.197 19.000 0.178 0.000 1.291 1019 A HN 1.487 nan 8.150 nan 0.000 0.404 1020 L N 1.550 122.789 121.223 0.026 0.000 2.438 1020 L HA 0.780 5.121 4.340 0.001 0.000 0.270 1020 L C -1.577 175.183 176.870 -0.183 0.000 0.972 1020 L CA -0.155 54.643 54.840 -0.070 0.000 0.831 1020 L CB 1.331 43.333 42.059 -0.094 0.000 1.273 1020 L HN 0.623 nan 8.230 nan 0.000 0.405 1021 I N 4.785 125.243 120.570 -0.187 0.000 2.498 1021 I HA 0.440 4.611 4.170 0.001 0.000 0.290 1021 I C -0.966 175.033 176.117 -0.197 0.000 1.032 1021 I CA -0.744 60.449 61.300 -0.178 0.000 1.073 1021 I CB 1.672 39.655 38.000 -0.027 0.000 1.251 1021 I HN 0.554 nan 8.210 nan 0.000 0.426 1022 H N 5.187 124.215 119.070 -0.070 0.000 2.524 1022 H HA 0.542 5.098 4.556 0.001 0.000 0.353 1022 H C -0.849 174.320 175.328 -0.265 0.000 1.136 1022 H CA -0.794 55.110 56.048 -0.239 0.000 1.193 1022 H CB 2.494 31.968 29.762 -0.480 0.000 1.558 1022 H HN 0.154 nan 8.280 nan 0.000 0.515 1023 V N 4.072 123.908 119.914 -0.131 0.000 2.409 1023 V HA 0.226 4.346 4.120 0.001 0.000 0.291 1023 V C -0.307 175.647 176.094 -0.233 0.000 1.020 1023 V CA -0.805 61.452 62.300 -0.071 0.000 0.848 1023 V CB 0.436 32.304 31.823 0.075 0.000 0.990 1023 V HN 0.604 nan 8.190 nan 0.000 0.430 1024 Y N 1.841 122.181 120.300 0.066 0.000 2.344 1024 Y HA 0.253 4.803 4.550 0.001 0.000 0.330 1024 Y C 2.062 177.914 175.900 -0.080 0.000 1.330 1024 Y CA 0.165 58.248 58.100 -0.027 0.000 1.479 1024 Y CB 0.973 39.422 38.460 -0.018 0.000 1.428 1024 Y HN 0.716 nan 8.280 nan 0.000 0.544 1025 T N -3.663 110.901 114.554 0.017 0.000 3.088 1025 T HA -0.098 4.252 4.350 0.001 0.000 0.259 1025 T C 0.821 175.482 174.700 -0.065 0.000 1.122 1025 T CA 0.755 62.776 62.100 -0.131 0.000 1.095 1025 T CB -0.319 68.342 68.868 -0.345 0.000 0.930 1025 T HN 0.701 nan 8.240 nan 0.000 0.508 1026 D N 1.339 121.741 120.400 0.003 0.000 2.363 1026 D HA 0.154 4.795 4.640 0.001 0.000 0.226 1026 D C 1.692 178.034 176.300 0.071 0.000 1.020 1026 D CA 0.566 54.577 54.000 0.019 0.000 0.892 1026 D CB -0.905 39.906 40.800 0.018 0.000 0.900 1026 D HN 0.560 nan 8.370 nan 0.000 0.531 1027 G N 0.362 109.213 108.800 0.085 0.000 2.184 1027 G HA2 -0.310 3.650 3.960 0.001 0.000 0.264 1027 G HA3 -0.310 3.650 3.960 0.001 0.000 0.264 1027 G C 0.387 175.551 174.900 0.441 0.000 0.975 1027 G CA 0.576 45.802 45.100 0.211 0.000 0.642 1027 G HN 0.864 nan 8.290 nan 0.000 0.536 1028 S N -0.752 115.124 115.700 0.294 0.000 2.576 1028 S HA 0.653 5.124 4.470 0.001 0.000 0.276 1028 S C 0.105 174.912 174.600 0.344 0.000 1.339 1028 S CA -0.095 58.276 58.200 0.285 0.000 1.039 1028 S CB 2.461 65.779 63.200 0.197 0.000 0.902 1028 S HN 1.055 nan 8.310 nan 0.000 0.516 1029 V N 3.328 123.415 119.914 0.288 0.000 2.555 1029 V HA 0.552 4.673 4.120 0.001 0.000 0.302 1029 V C -0.498 175.743 176.094 0.245 0.000 1.038 1029 V CA -0.845 61.601 62.300 0.243 0.000 0.887 1029 V CB 1.360 33.298 31.823 0.192 0.000 0.991 1029 V HN 0.893 nan 8.190 nan 0.000 0.434 1030 L N 6.081 127.442 121.223 0.230 0.000 2.325 1030 L HA 0.722 5.063 4.340 0.001 0.000 0.281 1030 L C -0.601 176.308 176.870 0.066 0.000 1.004 1030 L CA 0.041 55.020 54.840 0.230 0.000 0.823 1030 L CB 1.724 44.022 42.059 0.399 0.000 1.236 1030 L HN 0.443 nan 8.230 nan 0.000 0.415 1031 V N 3.899 123.830 119.914 0.029 0.000 2.483 1031 V HA 0.704 4.825 4.120 0.001 0.000 0.295 1031 V C -0.055 176.004 176.094 -0.058 0.000 1.035 1031 V CA -0.368 61.922 62.300 -0.017 0.000 0.896 1031 V CB 1.712 33.550 31.823 0.024 0.000 0.986 1031 V HN 0.855 nan 8.190 nan 0.000 0.447 1032 S N 3.232 118.890 115.700 -0.070 0.000 2.526 1032 S HA 0.834 5.305 4.470 0.001 0.000 0.293 1032 S C -1.022 173.560 174.600 -0.029 0.000 1.092 1032 S CA -0.564 57.565 58.200 -0.119 0.000 0.980 1032 S CB 1.112 64.238 63.200 -0.123 0.000 1.048 1032 S HN 1.102 nan 8.310 nan 0.000 0.483 1033 H N -0.049 118.969 119.070 -0.087 0.000 2.990 1033 H HA 0.629 5.186 4.556 0.001 0.000 0.343 1033 H C 0.910 176.123 175.328 -0.192 0.000 1.270 1033 H CA -0.508 55.501 56.048 -0.065 0.000 1.118 1033 H CB 0.679 30.426 29.762 -0.025 0.000 1.861 1033 H HN 0.575 nan 8.280 nan 0.000 0.544 1034 G N -0.069 108.658 108.800 -0.120 0.000 2.598 1034 G HA2 0.166 4.126 3.960 0.001 0.000 0.215 1034 G HA3 0.166 4.126 3.960 0.001 0.000 0.215 1034 G C 0.682 175.239 174.900 -0.572 0.000 1.131 1034 G CA 0.190 45.170 45.100 -0.198 0.000 0.785 1034 G HN 0.875 nan 8.290 nan 0.000 0.539 1035 G N -0.161 107.938 108.800 -1.168 0.000 2.539 1035 G HA2 0.461 4.421 3.960 0.001 0.000 0.258 1035 G HA3 0.461 4.421 3.960 0.001 0.000 0.258 1035 G C 0.106 174.822 174.900 -0.307 0.000 1.202 1035 G CA 0.378 45.061 45.100 -0.695 0.000 0.851 1035 G HN 0.372 nan 8.290 nan 0.000 0.556 1036 T N -1.685 112.750 114.554 -0.197 0.000 2.940 1036 T HA 0.586 4.936 4.350 0.001 0.000 0.288 1036 T C -0.534 173.997 174.700 -0.281 0.000 1.033 1036 T CA -0.812 61.176 62.100 -0.187 0.000 1.033 1036 T CB 2.289 71.077 68.868 -0.133 0.000 1.079 1036 T HN 0.447 nan 8.240 nan 0.000 0.496 1037 E N 1.626 121.629 120.200 -0.330 0.000 2.134 1037 E HA 0.443 4.794 4.350 0.001 0.000 0.278 1037 E C 0.240 176.745 176.600 -0.160 0.000 0.959 1037 E CA -0.761 55.441 56.400 -0.330 0.000 0.783 1037 E CB 0.899 30.394 29.700 -0.342 0.000 1.095 1037 E HN 0.781 nan 8.360 nan 0.000 0.399 1038 M N 2.421 121.935 119.600 -0.143 0.000 2.414 1038 M HA 0.492 4.973 4.480 0.001 0.000 0.357 1038 M C 0.710 176.936 176.300 -0.124 0.000 1.059 1038 M CA 0.209 55.414 55.300 -0.158 0.000 0.959 1038 M CB 0.858 33.300 32.600 -0.263 0.000 1.522 1038 M HN 0.585 nan 8.290 nan 0.000 0.551 1039 G N 1.718 110.514 108.800 -0.007 0.000 2.255 1039 G HA2 -0.242 3.719 3.960 0.001 0.000 0.196 1039 G HA3 -0.242 3.719 3.960 0.001 0.000 0.196 1039 G C 0.785 175.749 174.900 0.105 0.000 0.998 1039 G CA 0.315 45.447 45.100 0.054 0.000 0.656 1039 G HN 0.588 nan 8.290 nan 0.000 0.490 1040 Q N 1.689 121.509 119.800 0.032 0.000 2.482 1040 Q HA 0.315 4.655 4.340 0.001 0.000 0.209 1040 Q C 1.537 177.547 176.000 0.017 0.000 0.961 1040 Q CA 1.387 57.201 55.803 0.019 0.000 0.945 1040 Q CB -0.432 28.287 28.738 -0.032 0.000 1.012 1040 Q HN 1.914 nan 8.270 nan 0.000 0.515 1041 G N 2.048 110.860 108.800 0.019 0.000 2.225 1041 G HA2 -0.290 3.671 3.960 0.001 0.000 0.264 1041 G HA3 -0.290 3.671 3.960 0.001 0.000 0.264 1041 G C 0.304 175.096 174.900 -0.180 0.000 1.060 1041 G CA 0.456 45.450 45.100 -0.176 0.000 0.833 1041 G HN 0.430 nan 8.290 nan 0.000 0.498 1042 L N -0.271 120.837 121.223 -0.192 0.000 2.027 1042 L HA 0.089 4.429 4.340 0.001 0.000 0.206 1042 L C 2.542 179.352 176.870 -0.099 0.000 1.074 1042 L CA 2.728 57.476 54.840 -0.153 0.000 0.745 1042 L CB -0.519 41.438 42.059 -0.170 0.000 0.898 1042 L HN 0.392 nan 8.230 nan 0.000 0.433 1043 H N -0.649 118.368 119.070 -0.089 0.000 2.353 1043 H HA -0.100 4.457 4.556 0.001 0.000 0.300 1043 H C 2.158 177.407 175.328 -0.132 0.000 1.090 1043 H CA 1.861 57.867 56.048 -0.070 0.000 1.327 1043 H CB -1.069 28.631 29.762 -0.105 0.000 1.383 1043 H HN 0.356 nan 8.280 nan 0.000 0.508 1044 T N 1.528 116.027 114.554 -0.092 0.000 2.635 1044 T HA -0.162 4.188 4.350 0.001 0.000 0.267 1044 T C 2.017 176.683 174.700 -0.057 0.000 1.040 1044 T CA 1.680 63.715 62.100 -0.108 0.000 1.156 1044 T CB -0.074 68.679 68.868 -0.192 0.000 0.863 1044 T HN 0.381 nan 8.240 nan 0.000 0.430 1045 K N 0.404 120.766 120.400 -0.064 0.000 2.103 1045 K HA -0.045 4.276 4.320 0.001 0.000 0.207 1045 K C 2.362 178.948 176.600 -0.024 0.000 1.048 1045 K CA 1.166 57.431 56.287 -0.038 0.000 0.930 1045 K CB -0.188 32.286 32.500 -0.043 0.000 0.716 1045 K HN 0.277 nan 8.250 nan 0.000 0.444 1046 M N 0.302 119.877 119.600 -0.042 0.000 2.254 1046 M HA -0.093 4.388 4.480 0.001 0.000 0.265 1046 M C 2.274 178.568 176.300 -0.010 0.000 1.066 1046 M CA 1.139 56.403 55.300 -0.060 0.000 1.123 1046 M CB -0.598 31.901 32.600 -0.169 0.000 1.388 1046 M HN -0.063 nan 8.290 nan 0.000 0.425 1047 V N 0.553 120.463 119.914 -0.006 0.000 2.358 1047 V HA -0.255 3.865 4.120 0.001 0.000 0.246 1047 V C 2.400 178.495 176.094 0.002 0.000 1.047 1047 V CA 1.502 63.800 62.300 -0.003 0.000 1.035 1047 V CB -0.720 31.095 31.823 -0.013 0.000 0.658 1047 V HN 0.509 nan 8.190 nan 0.000 0.452 1048 Q N -0.562 119.238 119.800 0.001 0.000 2.096 1048 Q HA -0.178 4.163 4.340 0.001 0.000 0.204 1048 Q C 2.348 178.366 176.000 0.030 0.000 0.982 1048 Q CA 1.847 57.650 55.803 0.001 0.000 0.850 1048 Q CB -0.389 28.345 28.738 -0.007 0.000 0.901 1048 Q HN 0.538 nan 8.270 nan 0.000 0.422 1049 V N 1.186 121.150 119.914 0.084 0.000 2.237 1049 V HA -0.304 3.817 4.120 0.001 0.000 0.245 1049 V C 2.357 178.553 176.094 0.171 0.000 1.046 1049 V CA 1.958 64.384 62.300 0.210 0.000 1.007 1049 V CB -1.121 30.811 31.823 0.183 0.000 0.638 1049 V HN 0.431 nan 8.190 nan 0.000 0.445 1050 A N -0.326 122.545 122.820 0.086 0.000 1.948 1050 A HA -0.285 4.035 4.320 0.001 0.000 0.220 1050 A C 2.586 180.174 177.584 0.007 0.000 1.177 1050 A CA 2.591 54.658 52.037 0.050 0.000 0.636 1050 A CB -0.848 18.166 19.000 0.024 0.000 0.815 1050 A HN 0.570 nan 8.150 nan 0.000 0.449 1051 S N -0.526 115.166 115.700 -0.014 0.000 2.368 1051 S HA -0.199 4.271 4.470 0.001 0.000 0.224 1051 S C 2.105 176.675 174.600 -0.051 0.000 1.029 1051 S CA 1.829 59.992 58.200 -0.063 0.000 0.988 1051 S CB -0.313 62.853 63.200 -0.058 0.000 0.838 1051 S HN 0.631 nan 8.310 nan 0.000 0.462 1052 K N 0.769 121.158 120.400 -0.019 0.000 2.002 1052 K HA 0.002 4.323 4.320 0.001 0.000 0.209 1052 K C 2.306 178.944 176.600 0.062 0.000 1.048 1052 K CA 1.240 57.505 56.287 -0.036 0.000 0.930 1052 K CB -0.762 31.626 32.500 -0.187 0.000 0.714 1052 K HN 0.387 nan 8.250 nan 0.000 0.438 1053 A N 1.405 124.333 122.820 0.180 0.000 1.884 1053 A HA -0.189 4.132 4.320 0.001 0.000 0.219 1053 A C 2.126 179.739 177.584 0.050 0.000 1.197 1053 A CA 1.882 54.020 52.037 0.170 0.000 0.637 1053 A CB -0.855 18.223 19.000 0.130 0.000 0.827 1053 A HN 0.389 nan 8.150 nan 0.000 0.450 1054 L N -1.974 119.243 121.223 -0.010 0.000 2.478 1054 L HA 0.012 4.353 4.340 0.001 0.000 0.223 1054 L C 0.405 177.223 176.870 -0.087 0.000 1.140 1054 L CA 0.595 55.395 54.840 -0.066 0.000 0.842 1054 L CB -0.261 41.663 42.059 -0.225 0.000 0.953 1054 L HN 0.365 nan 8.230 nan 0.000 0.452 1055 K N 1.211 121.574 120.400 -0.063 0.000 3.257 1055 K HA -0.180 4.140 4.320 0.001 0.000 0.270 1055 K C -0.392 176.128 176.600 -0.133 0.000 0.984 1055 K CA 0.612 56.871 56.287 -0.047 0.000 0.739 1055 K CB -1.562 30.964 32.500 0.044 0.000 1.351 1055 K HN 0.534 nan 8.250 nan 0.000 0.463 1056 I N -4.390 116.029 120.570 -0.252 0.000 3.002 1056 I HA 0.712 4.883 4.170 0.001 0.000 0.310 1056 I C -2.654 173.342 176.117 -0.201 0.000 1.087 1056 I CA -3.229 57.874 61.300 -0.329 0.000 1.017 1056 I CB 2.469 40.029 38.000 -0.734 0.000 1.226 1056 I HN -0.266 nan 8.210 nan 0.000 0.443 1057 P HA 0.257 nan 4.420 nan 0.000 0.274 1057 P C 0.955 178.207 177.300 -0.081 0.000 1.231 1057 P CA -0.369 62.677 63.100 -0.089 0.000 0.790 1057 P CB 0.673 32.338 31.700 -0.058 0.000 0.951 1058 I N -0.353 120.191 120.570 -0.043 0.000 2.493 1058 I HA -0.204 3.967 4.170 0.001 0.000 0.254 1058 I C 1.728 177.851 176.117 0.009 0.000 1.160 1058 I CA 1.753 63.042 61.300 -0.018 0.000 1.445 1058 I CB -1.120 36.879 38.000 -0.002 0.000 1.086 1058 I HN 0.244 nan 8.210 nan 0.000 0.433 1059 S N 1.526 117.230 115.700 0.008 0.000 2.440 1059 S HA -0.171 4.300 4.470 0.001 0.000 0.238 1059 S C 1.815 176.433 174.600 0.030 0.000 1.010 1059 S CA 1.111 59.327 58.200 0.026 0.000 0.972 1059 S CB -0.607 62.602 63.200 0.015 0.000 0.774 1059 S HN 0.615 nan 8.310 nan 0.000 0.501 1060 K N 0.349 120.749 120.400 0.000 0.000 2.444 1060 K HA 0.355 4.676 4.320 0.001 0.000 0.193 1060 K C -0.040 176.597 176.600 0.060 0.000 1.024 1060 K CA 0.207 56.504 56.287 0.017 0.000 1.077 1060 K CB 0.049 32.519 32.500 -0.050 0.000 0.833 1060 K HN 0.482 nan 8.250 nan 0.000 0.517 1061 I N -0.044 120.566 120.570 0.066 0.000 2.646 1061 I HA 0.295 4.466 4.170 0.001 0.000 0.299 1061 I C -1.113 175.116 176.117 0.187 0.000 1.036 1061 I CA -1.321 60.039 61.300 0.100 0.000 1.074 1061 I CB 1.517 39.536 38.000 0.032 0.000 1.258 1061 I HN -0.143 nan 8.210 nan 0.000 0.430 1062 Y N 5.646 125.963 120.300 0.028 0.000 2.513 1062 Y HA 0.628 5.179 4.550 0.001 0.000 0.340 1062 Y C -1.484 174.408 175.900 -0.013 0.000 1.055 1062 Y CA -0.842 57.266 58.100 0.013 0.000 1.020 1062 Y CB 1.727 40.203 38.460 0.027 0.000 1.301 1062 Y HN 0.326 nan 8.280 nan 0.000 0.453 1063 I N 4.594 124.728 120.570 -0.727 0.000 2.418 1063 I HA 0.248 4.419 4.170 0.001 0.000 0.287 1063 I C 0.301 175.898 176.117 -0.868 0.000 1.008 1063 I CA -0.388 60.538 61.300 -0.624 0.000 1.104 1063 I CB 2.104 39.761 38.000 -0.573 0.000 1.264 1063 I HN 0.721 nan 8.210 nan 0.000 0.438 1064 S N 5.107 120.543 115.700 -0.439 0.000 2.412 1064 S HA 0.127 4.598 4.470 0.001 0.000 0.223 1064 S C 0.385 174.866 174.600 -0.199 0.000 1.048 1064 S CA 0.750 58.833 58.200 -0.195 0.000 0.954 1064 S CB 0.309 63.571 63.200 0.103 0.000 0.840 1064 S HN 0.847 nan 8.310 nan 0.000 0.503 1065 E N -1.423 118.637 120.200 -0.233 0.000 2.388 1065 E HA 0.306 4.656 4.350 0.001 0.000 0.269 1065 E C -1.723 174.758 176.600 -0.198 0.000 1.172 1065 E CA -0.979 55.328 56.400 -0.154 0.000 0.887 1065 E CB 0.547 30.223 29.700 -0.040 0.000 1.544 1065 E HN 0.003 nan 8.360 nan 0.000 0.451 1066 T N 1.112 115.588 114.554 -0.129 0.000 2.807 1066 T HA 0.662 5.013 4.350 0.001 0.000 0.279 1066 T C -0.955 173.680 174.700 -0.107 0.000 0.993 1066 T CA -0.485 61.517 62.100 -0.164 0.000 0.970 1066 T CB 1.226 69.998 68.868 -0.161 0.000 0.950 1066 T HN 0.613 nan 8.240 nan 0.000 0.441 1067 S N 0.225 115.864 115.700 -0.101 0.000 2.541 1067 S HA 0.442 4.913 4.470 0.001 0.000 0.271 1067 S C 0.977 175.538 174.600 -0.064 0.000 1.133 1067 S CA -0.706 57.447 58.200 -0.079 0.000 0.876 1067 S CB 1.400 64.564 63.200 -0.060 0.000 1.105 1067 S HN 0.704 nan 8.310 nan 0.000 0.470 1068 T N -1.117 113.399 114.554 -0.064 0.000 3.072 1068 T HA -0.053 4.298 4.350 0.001 0.000 0.266 1068 T C 1.052 175.736 174.700 -0.026 0.000 1.127 1068 T CA 1.127 63.200 62.100 -0.044 0.000 1.107 1068 T CB -0.742 68.094 68.868 -0.052 0.000 0.910 1068 T HN 0.746 nan 8.240 nan 0.000 0.513 1069 N N 1.332 120.017 118.700 -0.024 0.000 2.270 1069 N HA 0.009 4.749 4.740 0.001 0.000 0.198 1069 N C 1.252 176.770 175.510 0.014 0.000 1.117 1069 N CA 0.712 53.759 53.050 -0.006 0.000 0.845 1069 N CB -0.164 38.318 38.487 -0.007 0.000 0.980 1069 N HN 0.613 nan 8.380 nan 0.000 0.486 1070 T N -3.124 111.434 114.554 0.007 0.000 3.071 1070 T HA 0.277 4.628 4.350 0.001 0.000 0.239 1070 T C 0.405 175.115 174.700 0.018 0.000 0.997 1070 T CA 0.115 62.227 62.100 0.019 0.000 1.134 1070 T CB -0.052 68.819 68.868 0.005 0.000 0.928 1070 T HN -0.109 nan 8.240 nan 0.000 0.453 1071 V N 4.412 124.331 119.914 0.008 0.000 2.447 1071 V HA 0.512 4.633 4.120 0.001 0.000 0.292 1071 V C -2.706 173.412 176.094 0.040 0.000 1.021 1071 V CA -1.978 60.347 62.300 0.042 0.000 0.850 1071 V CB 1.938 33.796 31.823 0.057 0.000 1.005 1071 V HN 0.332 nan 8.190 nan 0.000 0.426 1072 P HA 0.416 nan 4.420 nan 0.000 0.284 1072 P C -0.227 177.111 177.300 0.063 0.000 1.258 1072 P CA -0.305 62.818 63.100 0.037 0.000 0.824 1072 P CB 0.705 32.421 31.700 0.027 0.000 1.038 1073 N N -1.756 116.968 118.700 0.040 0.000 2.754 1073 N HA -0.124 4.616 4.740 0.001 0.000 0.248 1073 N C -0.223 175.336 175.510 0.081 0.000 1.093 1073 N CA 0.966 54.047 53.050 0.051 0.000 0.699 1073 N CB -2.332 36.191 38.487 0.061 0.000 1.016 1073 N HN 0.645 nan 8.380 nan 0.000 0.552 1074 S N -1.570 114.174 115.700 0.074 0.000 2.565 1074 S HA 0.510 4.981 4.470 0.001 0.000 0.276 1074 S C 0.678 175.313 174.600 0.058 0.000 1.326 1074 S CA -0.586 57.681 58.200 0.113 0.000 1.045 1074 S CB 1.822 65.095 63.200 0.121 0.000 0.918 1074 S HN 0.186 nan 8.310 nan 0.000 0.505 1075 S N 4.067 119.794 115.700 0.045 0.000 2.584 1075 S HA 0.316 4.787 4.470 0.001 0.000 0.270 1075 S C -2.004 172.626 174.600 0.050 0.000 1.346 1075 S CA -0.778 57.377 58.200 -0.074 0.000 1.018 1075 S CB -0.162 62.876 63.200 -0.271 0.000 0.899 1075 S HN 0.745 nan 8.310 nan 0.000 0.542 1076 P HA 0.036 nan 4.420 nan 0.000 0.268 1076 P C -0.670 176.772 177.300 0.236 0.000 1.208 1076 P CA -0.159 63.004 63.100 0.105 0.000 0.777 1076 P CB 0.004 31.767 31.700 0.104 0.000 0.875 1077 T N 1.654 116.300 114.554 0.153 0.000 2.775 1077 T HA 0.463 4.813 4.350 0.001 0.000 0.281 1077 T C 0.281 175.040 174.700 0.098 0.000 0.908 1077 T CA 0.455 62.647 62.100 0.153 0.000 1.123 1077 T CB -0.699 68.187 68.868 0.030 0.000 0.879 1077 T HN 0.644 nan 8.240 nan 0.000 0.547 1078 A N 2.341 125.214 122.820 0.087 0.000 2.540 1078 A HA 0.810 5.131 4.320 0.001 0.000 0.291 1078 A C 0.529 177.855 177.584 -0.431 0.000 1.083 1078 A CA -0.297 51.692 52.037 -0.080 0.000 0.650 1078 A CB 0.159 19.192 19.000 0.056 0.000 1.292 1078 A HN 1.581 nan 8.150 nan 0.000 0.435 1079 A N -0.572 121.958 122.820 -0.485 0.000 2.979 1079 A HA 0.066 4.386 4.320 0.001 0.000 0.260 1079 A C 1.254 178.636 177.584 -0.336 0.000 1.282 1079 A CA 1.730 53.405 52.037 -0.603 0.000 0.971 1079 A CB -2.548 15.630 19.000 -1.371 0.000 1.124 1079 A HN 2.544 nan 8.150 nan 0.000 0.826 1080 S N -4.159 111.417 115.700 -0.207 0.000 3.257 1080 S HA -0.357 4.114 4.470 0.001 0.000 0.300 1080 S C 1.153 175.684 174.600 -0.116 0.000 1.275 1080 S CA 2.016 60.142 58.200 -0.124 0.000 1.023 1080 S CB -2.489 60.653 63.200 -0.097 0.000 1.180 1080 S HN 2.317 nan 8.310 nan 0.000 0.660 1081 V N -2.065 117.745 119.914 -0.173 0.000 3.647 1081 V HA 0.240 4.360 4.120 0.001 0.000 0.279 1081 V C 1.676 177.739 176.094 -0.052 0.000 1.314 1081 V CA 0.882 63.112 62.300 -0.115 0.000 1.125 1081 V CB 0.193 31.924 31.823 -0.154 0.000 0.907 1081 V HN 0.398 nan 8.190 nan 0.000 0.434 1082 S N 1.699 117.411 115.700 0.020 0.000 2.370 1082 S HA -0.192 4.279 4.470 0.001 0.000 0.226 1082 S C 1.970 176.654 174.600 0.140 0.000 1.033 1082 S CA 2.237 60.551 58.200 0.191 0.000 1.011 1082 S CB -0.597 62.770 63.200 0.278 0.000 0.852 1082 S HN 0.764 nan 8.310 nan 0.000 0.457 1083 T N 2.405 116.981 114.554 0.038 0.000 2.708 1083 T HA -0.111 4.239 4.350 0.001 0.000 0.266 1083 T C 1.411 176.071 174.700 -0.066 0.000 1.037 1083 T CA 1.565 63.659 62.100 -0.010 0.000 1.146 1083 T CB -0.676 68.183 68.868 -0.016 0.000 0.865 1083 T HN 0.314 nan 8.240 nan 0.000 0.435 1084 D N 1.465 121.825 120.400 -0.066 0.000 2.137 1084 D HA -0.120 4.521 4.640 0.001 0.000 0.189 1084 D C 2.139 178.278 176.300 -0.269 0.000 0.998 1084 D CA 1.504 55.431 54.000 -0.122 0.000 0.839 1084 D CB -0.467 40.323 40.800 -0.016 0.000 0.962 1084 D HN 0.588 nan 8.370 nan 0.000 0.446 1085 I N -2.693 117.723 120.570 -0.257 0.000 2.400 1085 I HA -0.103 4.067 4.170 0.001 0.000 0.248 1085 I C 1.910 177.759 176.117 -0.448 0.000 1.109 1085 I CA 0.728 61.815 61.300 -0.356 0.000 1.425 1085 I CB -0.728 37.111 38.000 -0.269 0.000 1.094 1085 I HN -0.059 nan 8.210 nan 0.000 0.425 1086 Y N 2.508 122.743 120.300 -0.108 0.000 2.274 1086 Y HA 0.005 4.556 4.550 0.001 0.000 0.290 1086 Y C 2.834 178.622 175.900 -0.187 0.000 1.145 1086 Y CA 1.295 59.317 58.100 -0.130 0.000 1.203 1086 Y CB -0.913 37.447 38.460 -0.167 0.000 0.984 1086 Y HN 0.233 nan 8.280 nan 0.000 0.533 1087 G N -0.489 108.244 108.800 -0.112 0.000 2.418 1087 G HA2 -0.308 3.653 3.960 0.001 0.000 0.217 1087 G HA3 -0.308 3.653 3.960 0.001 0.000 0.217 1087 G C 1.504 176.299 174.900 -0.176 0.000 1.158 1087 G CA 1.044 46.062 45.100 -0.135 0.000 0.771 1087 G HN 0.295 nan 8.290 nan 0.000 0.545 1088 Q N 0.324 119.920 119.800 -0.340 0.000 2.046 1088 Q HA 0.184 4.525 4.340 0.001 0.000 0.200 1088 Q C 2.804 178.739 176.000 -0.108 0.000 0.975 1088 Q CA 1.702 57.269 55.803 -0.393 0.000 0.836 1088 Q CB -0.518 27.577 28.738 -1.072 0.000 0.896 1088 Q HN 0.375 nan 8.270 nan 0.000 0.428 1089 A N -0.629 122.145 122.820 -0.077 0.000 1.908 1089 A HA -0.165 4.155 4.320 0.001 0.000 0.218 1089 A C 2.254 179.894 177.584 0.093 0.000 1.181 1089 A CA 1.716 53.789 52.037 0.060 0.000 0.627 1089 A CB -0.912 18.133 19.000 0.074 0.000 0.818 1089 A HN 0.276 nan 8.150 nan 0.000 0.445 1090 V N -1.393 118.564 119.914 0.072 0.000 2.343 1090 V HA -0.283 3.838 4.120 0.001 0.000 0.247 1090 V C 2.322 178.462 176.094 0.078 0.000 1.051 1090 V CA 2.099 64.441 62.300 0.069 0.000 1.036 1090 V CB -1.023 30.822 31.823 0.036 0.000 0.654 1090 V HN 0.729 nan 8.190 nan 0.000 0.451 1091 Y N 1.409 121.680 120.300 -0.048 0.000 2.081 1091 Y HA -0.265 4.286 4.550 0.001 0.000 0.280 1091 Y C 2.624 178.521 175.900 -0.004 0.000 1.163 1091 Y CA 2.183 60.253 58.100 -0.050 0.000 1.135 1091 Y CB -0.149 38.218 38.460 -0.156 0.000 0.970 1091 Y HN 0.246 nan 8.280 nan 0.000 0.498 1092 E N 0.283 120.521 120.200 0.063 0.000 2.110 1092 E HA -0.176 4.175 4.350 0.001 0.000 0.193 1092 E C 2.405 178.998 176.600 -0.013 0.000 0.988 1092 E CA 1.103 57.517 56.400 0.024 0.000 0.804 1092 E CB -0.702 29.086 29.700 0.146 0.000 0.745 1092 E HN 0.603 nan 8.360 nan 0.000 0.458 1093 A N 0.722 123.555 122.820 0.022 0.000 1.930 1093 A HA -0.161 4.159 4.320 0.001 0.000 0.217 1093 A C 2.594 180.176 177.584 -0.004 0.000 1.175 1093 A CA 1.232 53.283 52.037 0.024 0.000 0.627 1093 A CB -0.804 18.223 19.000 0.045 0.000 0.815 1093 A HN 0.329 nan 8.150 nan 0.000 0.443 1094 C N -0.655 118.617 119.300 -0.046 0.000 2.425 1094 C HA -0.101 4.359 4.460 0.001 0.000 0.277 1094 C C 2.877 177.815 174.990 -0.087 0.000 1.280 1094 C CA 1.084 60.071 59.018 -0.051 0.000 1.744 1094 C CB -1.024 26.672 27.740 -0.073 0.000 1.989 1094 C HN 0.600 nan 8.230 nan 0.000 0.491 1095 Q N 0.605 120.280 119.800 -0.208 0.000 2.050 1095 Q HA -0.133 4.208 4.340 0.001 0.000 0.202 1095 Q C 2.229 178.198 176.000 -0.052 0.000 0.980 1095 Q CA 2.069 57.767 55.803 -0.174 0.000 0.840 1095 Q CB -1.305 27.282 28.738 -0.252 0.000 0.898 1095 Q HN 0.654 nan 8.270 nan 0.000 0.424 1096 T N 2.201 116.740 114.554 -0.025 0.000 2.684 1096 T HA -0.120 4.231 4.350 0.001 0.000 0.267 1096 T C 1.931 176.651 174.700 0.033 0.000 1.036 1096 T CA 1.077 63.184 62.100 0.012 0.000 1.148 1096 T CB -0.145 68.736 68.868 0.023 0.000 0.863 1096 T HN 0.094 nan 8.240 nan 0.000 0.436 1097 I N 1.208 121.808 120.570 0.050 0.000 2.163 1097 I HA -0.106 4.065 4.170 0.001 0.000 0.243 1097 I C 2.406 178.584 176.117 0.102 0.000 1.085 1097 I CA 1.282 62.636 61.300 0.090 0.000 1.347 1097 I CB -1.396 36.695 38.000 0.152 0.000 1.044 1097 I HN 0.273 nan 8.210 nan 0.000 0.408 1098 L N 0.044 121.326 121.223 0.098 0.000 2.083 1098 L HA -0.214 4.127 4.340 0.001 0.000 0.209 1098 L C 2.629 179.524 176.870 0.042 0.000 1.083 1098 L CA 1.170 56.066 54.840 0.094 0.000 0.752 1098 L CB -0.584 41.513 42.059 0.064 0.000 0.899 1098 L HN 0.179 nan 8.230 nan 0.000 0.433 1099 K N 0.382 120.797 120.400 0.025 0.000 2.057 1099 K HA -0.138 4.183 4.320 0.001 0.000 0.207 1099 K C 2.175 178.791 176.600 0.027 0.000 1.049 1099 K CA 1.373 57.668 56.287 0.013 0.000 0.931 1099 K CB -0.319 32.185 32.500 0.008 0.000 0.714 1099 K HN 0.322 nan 8.250 nan 0.000 0.440 1100 R N 0.542 121.074 120.500 0.053 0.000 2.096 1100 R HA -0.008 4.333 4.340 0.001 0.000 0.235 1100 R C 2.375 178.774 176.300 0.166 0.000 1.127 1100 R CA 0.923 57.079 56.100 0.093 0.000 0.968 1100 R CB -0.265 30.082 30.300 0.078 0.000 0.861 1100 R HN 0.122 nan 8.270 nan 0.000 0.440 1101 L N 0.042 121.337 121.223 0.121 0.000 2.341 1101 L HA -0.036 4.305 4.340 0.001 0.000 0.214 1101 L C 2.260 179.160 176.870 0.051 0.000 1.115 1101 L CA 0.404 55.340 54.840 0.161 0.000 0.820 1101 L CB -0.229 41.861 42.059 0.052 0.000 0.944 1101 L HN 0.095 nan 8.230 nan 0.000 0.452 1102 E N 1.403 121.575 120.200 -0.047 0.000 2.065 1102 E HA -0.213 4.137 4.350 0.001 0.000 0.201 1102 E C -0.677 175.777 176.600 -0.243 0.000 1.016 1102 E CA 1.960 58.267 56.400 -0.156 0.000 0.818 1102 E CB -1.085 28.553 29.700 -0.103 0.000 0.749 1102 E HN 0.249 nan 8.360 nan 0.000 0.453 1103 P HA -0.094 nan 4.420 nan 0.000 0.222 1103 P C 0.753 177.675 177.300 -0.630 0.000 1.147 1103 P CA 1.127 63.947 63.100 -0.467 0.000 0.790 1103 P CB -0.150 31.196 31.700 -0.591 0.000 0.780 1104 F N 0.038 119.881 119.950 -0.177 0.000 2.367 1104 F HA 0.052 4.579 4.527 0.001 0.000 0.298 1104 F C 2.431 178.013 175.800 -0.363 0.000 1.094 1104 F CA 0.910 58.817 58.000 -0.155 0.000 1.409 1104 F CB -0.600 38.366 39.000 -0.057 0.000 1.064 1104 F HN -0.157 nan 8.300 nan 0.000 0.528 1105 K N 0.789 120.842 120.400 -0.578 0.000 2.025 1105 K HA -0.141 4.180 4.320 0.001 0.000 0.207 1105 K C 2.176 178.550 176.600 -0.377 0.000 1.049 1105 K CA 1.062 56.768 56.287 -0.968 0.000 0.933 1105 K CB 0.040 31.917 32.500 -1.039 0.000 0.714 1105 K HN -0.044 nan 8.250 nan 0.000 0.438 1106 K N 1.122 121.358 120.400 -0.272 0.000 1.987 1106 K HA -0.201 4.119 4.320 0.001 0.000 0.216 1106 K C 2.141 178.688 176.600 -0.089 0.000 1.051 1106 K CA 1.640 57.833 56.287 -0.156 0.000 0.942 1106 K CB -0.332 32.070 32.500 -0.164 0.000 0.722 1106 K HN 0.146 nan 8.250 nan 0.000 0.444 1107 K N 0.427 120.766 120.400 -0.102 0.000 2.173 1107 K HA -0.186 4.135 4.320 0.001 0.000 0.207 1107 K C 0.663 177.298 176.600 0.058 0.000 1.046 1107 K CA 1.306 57.576 56.287 -0.028 0.000 0.929 1107 K CB -0.030 32.450 32.500 -0.034 0.000 0.720 1107 K HN 0.018 nan 8.250 nan 0.000 0.453 1108 N N -0.981 117.790 118.700 0.119 0.000 2.711 1108 N HA 0.180 4.920 4.740 0.001 0.000 0.263 1108 N C -2.559 173.184 175.510 0.388 0.000 1.667 1108 N CA -1.627 51.572 53.050 0.248 0.000 0.785 1108 N CB 1.240 39.916 38.487 0.315 0.000 1.231 1108 N HN -0.191 nan 8.380 nan 0.000 0.503 1109 P HA -0.028 nan 4.420 nan 0.000 0.218 1109 P C 0.292 177.795 177.300 0.338 0.000 1.148 1109 P CA 1.086 64.337 63.100 0.250 0.000 0.822 1109 P CB 0.388 32.163 31.700 0.126 0.000 0.784 1110 D N -1.181 119.365 120.400 0.244 0.000 2.339 1110 D HA 0.083 4.724 4.640 0.001 0.000 0.217 1110 D C 1.336 177.707 176.300 0.118 0.000 1.050 1110 D CA 0.347 54.449 54.000 0.169 0.000 0.856 1110 D CB -0.175 40.688 40.800 0.105 0.000 0.922 1110 D HN 0.086 nan 8.370 nan 0.000 0.518 1111 G N 0.647 109.548 108.800 0.167 0.000 2.684 1111 G HA2 0.272 4.232 3.960 0.001 0.000 0.255 1111 G HA3 0.272 4.232 3.960 0.001 0.000 0.255 1111 G C 0.368 174.964 174.900 -0.507 0.000 1.219 1111 G CA -0.270 44.775 45.100 -0.092 0.000 0.901 1111 G HN 0.160 nan 8.290 nan 0.000 0.548 1112 S N -0.504 114.843 115.700 -0.589 0.000 2.672 1112 S HA 0.139 4.610 4.470 0.001 0.000 0.276 1112 S C 1.145 175.136 174.600 -1.015 0.000 1.207 1112 S CA -0.509 57.319 58.200 -0.621 0.000 1.002 1112 S CB 1.142 64.182 63.200 -0.268 0.000 0.998 1112 S HN 0.804 nan 8.310 nan 0.000 0.542 1113 W N 1.705 122.511 121.300 -0.824 0.000 2.290 1113 W HA -0.276 4.384 4.660 0.001 0.000 0.318 1113 W C 1.161 177.551 176.519 -0.216 0.000 1.248 1113 W CA 2.468 59.574 57.345 -0.398 0.000 1.263 1113 W CB -0.552 28.838 29.460 -0.117 0.000 1.147 1113 W HN 0.855 nan 8.180 nan 0.000 0.494 1114 E N 0.561 120.669 120.200 -0.153 0.000 2.160 1114 E HA -0.212 4.139 4.350 0.001 0.000 0.195 1114 E C 1.634 178.111 176.600 -0.206 0.000 0.991 1114 E CA 1.974 58.272 56.400 -0.171 0.000 0.810 1114 E CB -0.625 29.045 29.700 -0.050 0.000 0.742 1114 E HN 0.263 nan 8.360 nan 0.000 0.466 1115 D N -0.927 119.322 120.400 -0.252 0.000 2.137 1115 D HA -0.107 4.533 4.640 0.001 0.000 0.202 1115 D C 1.590 177.860 176.300 -0.050 0.000 0.970 1115 D CA 0.655 54.563 54.000 -0.153 0.000 0.837 1115 D CB -0.204 40.494 40.800 -0.170 0.000 0.981 1115 D HN 0.276 nan 8.370 nan 0.000 0.475 1116 W N 1.324 122.554 121.300 -0.116 0.000 2.381 1116 W HA -0.059 4.601 4.660 0.001 0.000 0.301 1116 W C 2.311 178.631 176.519 -0.331 0.000 1.205 1116 W CA 0.088 57.352 57.345 -0.136 0.000 1.285 1116 W CB -1.322 28.084 29.460 -0.090 0.000 1.133 1116 W HN -0.143 nan 8.180 nan 0.000 0.521 1117 V N 0.774 120.537 119.914 -0.252 0.000 2.287 1117 V HA -0.338 3.783 4.120 0.001 0.000 0.248 1117 V C 2.280 178.240 176.094 -0.223 0.000 1.053 1117 V CA 2.330 64.414 62.300 -0.361 0.000 1.027 1117 V CB -0.923 30.597 31.823 -0.506 0.000 0.646 1117 V HN 0.056 nan 8.190 nan 0.000 0.447 1118 M N 0.725 120.235 119.600 -0.149 0.000 2.175 1118 M HA 0.018 4.499 4.480 0.001 0.000 0.264 1118 M C 2.010 178.274 176.300 -0.061 0.000 1.063 1118 M CA 2.021 57.288 55.300 -0.055 0.000 1.119 1118 M CB -0.791 31.787 32.600 -0.036 0.000 1.377 1118 M HN 0.240 nan 8.290 nan 0.000 0.415 1119 A N -0.372 122.372 122.820 -0.126 0.000 1.930 1119 A HA 0.113 4.433 4.320 0.001 0.000 0.217 1119 A C 2.333 179.550 177.584 -0.613 0.000 1.175 1119 A CA 1.819 53.747 52.037 -0.182 0.000 0.627 1119 A CB -1.281 17.744 19.000 0.042 0.000 0.815 1119 A HN 0.613 nan 8.150 nan 0.000 0.443 1120 A N -1.459 120.782 122.820 -0.965 0.000 1.929 1120 A HA -0.033 4.288 4.320 0.001 0.000 0.216 1120 A C 2.103 179.429 177.584 -0.430 0.000 1.176 1120 A CA 1.525 52.847 52.037 -1.191 0.000 0.628 1120 A CB -0.785 17.662 19.000 -0.922 0.000 0.816 1120 A HN 0.698 nan 8.150 nan 0.000 0.444 1121 Y N 0.674 120.772 120.300 -0.336 0.000 2.097 1121 Y HA -0.256 4.294 4.550 0.001 0.000 0.282 1121 Y C 2.474 178.294 175.900 -0.133 0.000 1.152 1121 Y CA 2.318 60.308 58.100 -0.183 0.000 1.136 1121 Y CB -0.319 38.059 38.460 -0.136 0.000 0.975 1121 Y HN 0.317 nan 8.280 nan 0.000 0.498 1122 Q N -0.292 119.357 119.800 -0.251 0.000 2.234 1122 Q HA -0.213 4.128 4.340 0.001 0.000 0.206 1122 Q C 1.349 177.213 176.000 -0.227 0.000 0.980 1122 Q CA 1.880 57.529 55.803 -0.257 0.000 0.869 1122 Q CB -0.457 28.235 28.738 -0.075 0.000 0.912 1122 Q HN 0.573 nan 8.270 nan 0.000 0.436 1123 D N -0.266 120.023 120.400 -0.186 0.000 2.340 1123 D HA 0.043 4.683 4.640 0.001 0.000 0.220 1123 D C -0.375 175.875 176.300 -0.084 0.000 1.039 1123 D CA -0.062 53.902 54.000 -0.059 0.000 0.866 1123 D CB 0.168 41.047 40.800 0.132 0.000 0.913 1123 D HN 0.064 nan 8.370 nan 0.000 0.523 1124 R N -0.812 119.568 120.500 -0.201 0.000 3.336 1124 R HA -0.130 4.211 4.340 0.001 0.000 0.260 1124 R C -0.989 175.272 176.300 -0.065 0.000 1.032 1124 R CA -0.006 55.999 56.100 -0.159 0.000 0.693 1124 R CB -2.222 28.003 30.300 -0.125 0.000 1.134 1124 R HN 0.031 nan 8.270 nan 0.000 0.433 1125 V N 0.922 120.799 119.914 -0.062 0.000 2.394 1125 V HA 0.196 4.317 4.120 0.001 0.000 0.282 1125 V C 0.899 176.989 176.094 -0.008 0.000 1.031 1125 V CA -0.318 61.978 62.300 -0.006 0.000 0.881 1125 V CB 1.854 33.695 31.823 0.029 0.000 0.982 1125 V HN 0.383 nan 8.190 nan 0.000 0.451 1126 S N 4.910 120.618 115.700 0.013 0.000 2.544 1126 S HA 0.179 4.650 4.470 0.001 0.000 0.290 1126 S C 0.391 175.002 174.600 0.018 0.000 1.276 1126 S CA -0.179 58.034 58.200 0.021 0.000 1.075 1126 S CB -0.030 63.185 63.200 0.025 0.000 0.849 1126 S HN 0.588 nan 8.310 nan 0.000 0.494 1127 L N 4.441 125.672 121.223 0.013 0.000 2.912 1127 L HA 0.331 4.672 4.340 0.001 0.000 0.240 1127 L C 0.478 177.358 176.870 0.016 0.000 1.262 1127 L CA -0.193 54.645 54.840 -0.004 0.000 1.058 1127 L CB 0.258 42.293 42.059 -0.040 0.000 1.383 1127 L HN 0.543 nan 8.230 nan 0.000 0.512 1128 S N -0.698 115.033 115.700 0.051 0.000 2.571 1128 S HA 0.694 5.164 4.470 0.001 0.000 0.284 1128 S C -0.644 174.008 174.600 0.086 0.000 1.128 1128 S CA -0.296 57.976 58.200 0.120 0.000 0.970 1128 S CB 1.972 65.273 63.200 0.167 0.000 1.039 1128 S HN 0.112 nan 8.310 nan 0.000 0.485 1129 T N 1.912 116.510 114.554 0.073 0.000 2.853 1129 T HA 0.670 5.021 4.350 0.001 0.000 0.311 1129 T C -0.479 174.248 174.700 0.045 0.000 1.307 1129 T CA -0.337 61.796 62.100 0.055 0.000 1.019 1129 T CB 1.443 70.340 68.868 0.048 0.000 1.264 1129 T HN 0.816 nan 8.240 nan 0.000 0.497 1130 T N 0.249 114.836 114.554 0.055 0.000 2.881 1130 T HA 0.781 5.131 4.350 0.001 0.000 0.278 1130 T C 0.435 175.194 174.700 0.098 0.000 0.982 1130 T CA -0.479 61.666 62.100 0.074 0.000 0.989 1130 T CB 1.240 70.156 68.868 0.080 0.000 1.058 1130 T HN 0.920 nan 8.240 nan 0.000 0.529 1131 G N -0.239 108.648 108.800 0.146 0.000 2.612 1131 G HA2 0.656 4.616 3.960 0.001 0.000 0.298 1131 G HA3 0.656 4.616 3.960 0.001 0.000 0.298 1131 G C -2.088 172.997 174.900 0.308 0.000 1.336 1131 G CA -0.832 44.376 45.100 0.180 0.000 0.953 1131 G HN 0.722 nan 8.290 nan 0.000 0.482 1132 F N 0.615 120.625 119.950 0.101 0.000 2.668 1132 F HA 0.768 5.296 4.527 0.001 0.000 0.309 1132 F C -1.850 174.054 175.800 0.174 0.000 1.117 1132 F CA -1.039 57.028 58.000 0.111 0.000 0.951 1132 F CB 2.382 41.423 39.000 0.068 0.000 1.323 1132 F HN 0.612 nan 8.300 nan 0.000 0.451 1133 Y N 3.588 123.511 120.300 -0.628 0.000 2.552 1133 Y HA 0.607 5.157 4.550 0.001 0.000 0.337 1133 Y C -1.687 173.864 175.900 -0.582 0.000 1.094 1133 Y CA -0.999 56.859 58.100 -0.404 0.000 1.028 1133 Y CB 1.528 39.818 38.460 -0.284 0.000 1.321 1133 Y HN 0.740 nan 8.280 nan 0.000 0.456 1134 R N 3.567 123.434 120.500 -1.056 0.000 2.510 1134 R HA 0.420 4.760 4.340 0.001 0.000 0.294 1134 R C -1.578 174.120 176.300 -1.004 0.000 1.056 1134 R CA -0.469 55.196 56.100 -0.725 0.000 0.918 1134 R CB 1.453 31.593 30.300 -0.268 0.000 1.187 1134 R HN 0.778 nan 8.270 nan 0.000 0.437 1135 T N 6.880 121.003 114.554 -0.718 0.000 2.853 1135 T HA 0.156 4.507 4.350 0.001 0.000 0.298 1135 T C -2.069 172.409 174.700 -0.371 0.000 0.978 1135 T CA -0.592 61.164 62.100 -0.573 0.000 1.152 1135 T CB 0.648 69.315 68.868 -0.334 0.000 0.914 1135 T HN 0.462 nan 8.240 nan 0.000 0.539 1136 P HA 0.244 nan 4.420 nan 0.000 0.276 1136 P C 0.003 177.297 177.300 -0.011 0.000 1.244 1136 P CA -0.508 62.525 63.100 -0.111 0.000 0.801 1136 P CB 0.444 32.126 31.700 -0.029 0.000 1.006 1137 N N -0.858 117.844 118.700 0.003 0.000 2.780 1137 N HA -0.125 4.616 4.740 0.001 0.000 0.248 1137 N C -0.754 174.776 175.510 0.033 0.000 1.102 1137 N CA 0.745 53.816 53.050 0.035 0.000 0.697 1137 N CB -1.689 36.842 38.487 0.074 0.000 1.028 1137 N HN 0.450 nan 8.380 nan 0.000 0.554 1138 L N -0.482 120.740 121.223 -0.001 0.000 2.333 1138 L HA 0.798 5.139 4.340 0.001 0.000 0.269 1138 L C 0.937 177.795 176.870 -0.019 0.000 1.010 1138 L CA -0.558 54.269 54.840 -0.021 0.000 0.818 1138 L CB 2.081 44.111 42.059 -0.049 0.000 1.306 1138 L HN 0.210 nan 8.230 nan 0.000 0.430 1139 G N 1.344 110.130 108.800 -0.024 0.000 2.299 1139 G HA2 -0.061 3.900 3.960 0.001 0.000 0.219 1139 G HA3 -0.061 3.900 3.960 0.001 0.000 0.219 1139 G C -1.559 173.352 174.900 0.018 0.000 2.786 1139 G CA -0.786 44.318 45.100 0.006 0.000 1.025 1139 G HN 0.428 nan 8.290 nan 0.000 0.582 1140 Y N 2.094 122.331 120.300 -0.105 0.000 2.299 1140 Y HA 0.722 5.273 4.550 0.001 0.000 0.326 1140 Y C 0.372 176.257 175.900 -0.026 0.000 1.164 1140 Y CA -0.177 57.852 58.100 -0.118 0.000 1.234 1140 Y CB 1.893 40.196 38.460 -0.263 0.000 1.219 1140 Y HN 0.477 nan 8.280 nan 0.000 0.497 1141 S N 5.539 120.798 115.700 -0.735 0.000 2.449 1141 S HA 0.302 4.773 4.470 0.001 0.000 0.310 1141 S C 0.338 174.442 174.600 -0.827 0.000 1.096 1141 S CA -0.644 57.258 58.200 -0.497 0.000 1.095 1141 S CB 0.138 63.179 63.200 -0.265 0.000 1.007 1141 S HN 0.755 nan 8.310 nan 0.000 0.474 1142 F N 2.960 122.775 119.950 -0.225 0.000 2.365 1142 F HA 0.038 4.566 4.527 0.001 0.000 0.300 1142 F C 2.114 177.885 175.800 -0.048 0.000 1.090 1142 F CA 0.981 58.982 58.000 0.003 0.000 1.408 1142 F CB 0.095 39.179 39.000 0.141 0.000 1.060 1142 F HN 0.575 nan 8.300 nan 0.000 0.534 1143 E N -0.822 119.421 120.200 0.072 0.000 2.086 1143 E HA -0.104 4.247 4.350 0.001 0.000 0.190 1143 E C 2.245 178.831 176.600 -0.023 0.000 0.975 1143 E CA 1.592 58.016 56.400 0.040 0.000 0.813 1143 E CB -0.325 29.397 29.700 0.037 0.000 0.768 1143 E HN 0.278 nan 8.360 nan 0.000 0.457 1144 T N -1.378 113.117 114.554 -0.098 0.000 3.129 1144 T HA -0.035 4.316 4.350 0.001 0.000 0.251 1144 T C 0.716 175.348 174.700 -0.113 0.000 1.117 1144 T CA 0.143 62.186 62.100 -0.095 0.000 1.034 1144 T CB -0.486 68.321 68.868 -0.101 0.000 0.968 1144 T HN 0.224 nan 8.240 nan 0.000 0.526 1145 N N 1.640 120.239 118.700 -0.169 0.000 2.696 1145 N HA -0.239 4.502 4.740 0.001 0.000 0.271 1145 N C -0.434 174.998 175.510 -0.130 0.000 0.997 1145 N CA 0.704 53.659 53.050 -0.158 0.000 0.801 1145 N CB -0.976 37.546 38.487 0.059 0.000 0.913 1145 N HN 0.875 nan 8.380 nan 0.000 0.557 1146 S N -0.388 115.111 115.700 -0.335 0.000 2.643 1146 S HA 0.797 5.267 4.470 0.001 0.000 0.270 1146 S C -0.073 174.435 174.600 -0.154 0.000 1.166 1146 S CA 0.053 58.178 58.200 -0.125 0.000 0.815 1146 S CB 1.684 64.844 63.200 -0.068 0.000 1.139 1146 S HN 1.256 nan 8.310 nan 0.000 0.472 1147 G N 1.211 110.003 108.800 -0.013 0.000 2.777 1147 G HA2 -0.067 3.894 3.960 0.001 0.000 0.686 1147 G HA3 -0.067 3.894 3.960 0.001 0.000 0.686 1147 G C -1.066 173.896 174.900 0.103 0.000 1.177 1147 G CA -0.835 44.273 45.100 0.014 0.000 0.775 1147 G HN 0.937 nan 8.290 nan 0.000 0.613 1148 N N 0.772 119.500 118.700 0.046 0.000 2.434 1148 N HA 0.293 5.033 4.740 0.001 0.000 0.268 1148 N C 1.445 176.855 175.510 -0.166 0.000 1.256 1148 N CA 0.698 53.749 53.050 0.002 0.000 0.914 1148 N CB 1.371 39.864 38.487 0.011 0.000 1.088 1148 N HN 1.031 nan 8.380 nan 0.000 0.478 1149 A N 3.122 125.665 122.820 -0.461 0.000 1.968 1149 A HA 0.078 4.399 4.320 0.001 0.000 0.217 1149 A C 0.224 176.961 177.584 -1.412 0.000 1.169 1149 A CA 0.962 52.239 52.037 -1.268 0.000 0.638 1149 A CB 0.036 17.444 19.000 -2.655 0.000 0.812 1149 A HN 0.573 nan 8.150 nan 0.000 0.446 1150 F N -4.342 115.368 119.950 -0.399 0.000 2.620 1150 F HA 0.485 5.013 4.527 0.001 0.000 0.320 1150 F C 0.940 176.589 175.800 -0.253 0.000 1.069 1150 F CA -0.707 57.019 58.000 -0.458 0.000 0.953 1150 F CB 1.126 39.611 39.000 -0.858 0.000 1.322 1150 F HN 0.080 nan 8.300 nan 0.000 0.479 1151 H N 0.103 119.107 119.070 -0.110 0.000 2.415 1151 H HA 0.128 4.684 4.556 0.001 0.000 0.297 1151 H C -0.857 174.565 175.328 0.157 0.000 1.048 1151 H CA 1.471 57.536 56.048 0.027 0.000 1.365 1151 H CB 0.272 30.098 29.762 0.107 0.000 1.421 1151 H HN 0.521 nan 8.280 nan 0.000 0.533 1152 Y N -4.102 116.102 120.300 -0.160 0.000 2.871 1152 Y HA 0.437 4.988 4.550 0.001 0.000 0.331 1152 Y C -1.890 173.747 175.900 -0.438 0.000 1.378 1152 Y CA -1.944 56.051 58.100 -0.175 0.000 1.079 1152 Y CB 0.616 39.030 38.460 -0.076 0.000 1.441 1152 Y HN -0.209 nan 8.280 nan 0.000 0.446 1153 F N 0.323 120.247 119.950 -0.044 0.000 2.532 1153 F HA 0.665 5.193 4.527 0.001 0.000 0.321 1153 F C -0.101 175.393 175.800 -0.510 0.000 1.089 1153 F CA -0.971 56.791 58.000 -0.396 0.000 0.926 1153 F CB 2.422 41.151 39.000 -0.451 0.000 1.168 1153 F HN 0.458 nan 8.300 nan 0.000 0.459 1154 T N 2.354 116.752 114.554 -0.260 0.000 2.845 1154 T HA 0.474 4.824 4.350 0.001 0.000 0.288 1154 T C -0.997 173.508 174.700 -0.324 0.000 0.980 1154 T CA -0.259 61.725 62.100 -0.193 0.000 1.071 1154 T CB 0.253 69.124 68.868 0.005 0.000 0.941 1154 T HN 0.303 nan 8.240 nan 0.000 0.487 1155 Y N 0.439 120.825 120.300 0.144 0.000 2.549 1155 Y HA 0.757 5.308 4.550 0.001 0.000 0.339 1155 Y C 0.761 176.707 175.900 0.076 0.000 1.053 1155 Y CA -0.854 57.292 58.100 0.077 0.000 1.105 1155 Y CB 2.380 40.807 38.460 -0.055 0.000 1.258 1155 Y HN 0.906 nan 8.280 nan 0.000 0.478 1156 G N -0.200 108.755 108.800 0.258 0.000 2.495 1156 G HA2 0.568 4.529 3.960 0.001 0.000 0.294 1156 G HA3 0.568 4.529 3.960 0.001 0.000 0.294 1156 G C -2.364 172.657 174.900 0.202 0.000 1.397 1156 G CA -0.733 44.482 45.100 0.191 0.000 0.790 1156 G HN 0.487 nan 8.290 nan 0.000 0.486 1157 V N -0.406 119.610 119.914 0.170 0.000 2.888 1157 V HA 0.860 4.981 4.120 0.001 0.000 0.309 1157 V C -0.076 176.086 176.094 0.113 0.000 1.114 1157 V CA -0.231 62.181 62.300 0.186 0.000 0.940 1157 V CB 1.632 33.570 31.823 0.193 0.000 1.021 1157 V HN 1.736 nan 8.190 nan 0.000 0.426 1158 A N 2.299 125.188 122.820 0.116 0.000 2.414 1158 A HA 0.782 5.102 4.320 0.001 0.000 0.306 1158 A C -0.913 176.695 177.584 0.041 0.000 1.054 1158 A CA -0.475 51.606 52.037 0.073 0.000 0.724 1158 A CB 1.728 20.826 19.000 0.164 0.000 1.267 1158 A HN 1.089 nan 8.150 nan 0.000 0.418 1159 C N 2.053 121.354 119.300 0.000 0.000 2.319 1159 C HA 0.814 5.275 4.460 0.001 0.000 0.323 1159 C C -0.051 174.964 174.990 0.041 0.000 1.277 1159 C CA -0.120 58.904 59.018 0.010 0.000 1.517 1159 C CB -0.244 27.482 27.740 -0.024 0.000 2.206 1159 C HN 0.804 nan 8.230 nan 0.000 0.486 1160 S N 3.879 119.626 115.700 0.079 0.000 2.513 1160 S HA 0.552 5.023 4.470 0.001 0.000 0.299 1160 S C -1.068 173.557 174.600 0.041 0.000 1.087 1160 S CA -0.451 57.792 58.200 0.071 0.000 1.012 1160 S CB 1.667 64.951 63.200 0.140 0.000 1.044 1160 S HN 0.877 nan 8.310 nan 0.000 0.485 1161 E N 1.816 122.019 120.200 0.005 0.000 2.199 1161 E HA 0.632 4.983 4.350 0.001 0.000 0.269 1161 E C -1.071 175.516 176.600 -0.022 0.000 0.899 1161 E CA -0.793 55.589 56.400 -0.029 0.000 0.772 1161 E CB 1.268 30.924 29.700 -0.073 0.000 1.155 1161 E HN 0.508 nan 8.360 nan 0.000 0.408 1162 V N 0.594 120.493 119.914 -0.026 0.000 3.074 1162 V HA 0.639 4.760 4.120 0.001 0.000 0.314 1162 V C -0.754 175.312 176.094 -0.046 0.000 1.117 1162 V CA -0.898 61.410 62.300 0.013 0.000 1.014 1162 V CB 1.814 33.668 31.823 0.052 0.000 1.057 1162 V HN 0.807 nan 8.190 nan 0.000 0.438 1163 E N 2.126 122.316 120.200 -0.017 0.000 2.191 1163 E HA 0.615 4.966 4.350 0.001 0.000 0.263 1163 E C -0.774 175.877 176.600 0.084 0.000 0.881 1163 E CA -0.876 55.492 56.400 -0.052 0.000 0.757 1163 E CB 1.855 31.466 29.700 -0.149 0.000 1.147 1163 E HN 0.913 nan 8.360 nan 0.000 0.414 1164 I N 0.703 121.333 120.570 0.100 0.000 2.664 1164 I HA 0.528 4.698 4.170 0.001 0.000 0.308 1164 I C -0.364 175.857 176.117 0.173 0.000 0.984 1164 I CA -0.765 60.623 61.300 0.146 0.000 1.213 1164 I CB 1.553 39.605 38.000 0.087 0.000 1.379 1164 I HN 0.361 nan 8.210 nan 0.000 0.501 1165 D N 4.253 124.763 120.400 0.183 0.000 2.427 1165 D HA 0.282 4.923 4.640 0.001 0.000 0.226 1165 D C 0.322 176.739 176.300 0.194 0.000 1.076 1165 D CA -0.562 53.558 54.000 0.200 0.000 0.849 1165 D CB 1.453 42.367 40.800 0.190 0.000 1.052 1165 D HN 0.740 nan 8.370 nan 0.000 0.515 1166 C N 3.379 122.821 119.300 0.236 0.000 2.491 1166 C HA 0.073 4.534 4.460 0.001 0.000 0.277 1166 C C 2.427 177.572 174.990 0.258 0.000 1.455 1166 C CA -0.112 59.053 59.018 0.246 0.000 1.758 1166 C CB -1.060 26.870 27.740 0.316 0.000 1.745 1166 C HN 0.649 nan 8.230 nan 0.000 0.558 1167 L N 0.885 122.235 121.223 0.212 0.000 2.416 1167 L HA 0.010 4.351 4.340 0.001 0.000 0.216 1167 L C 2.592 179.463 176.870 0.001 0.000 1.098 1167 L CA 1.638 56.516 54.840 0.063 0.000 0.840 1167 L CB -0.211 41.822 42.059 -0.045 0.000 0.981 1167 L HN 0.544 nan 8.230 nan 0.000 0.462 1168 T N -6.189 108.416 114.554 0.084 0.000 2.964 1168 T HA 0.277 4.628 4.350 0.001 0.000 0.250 1168 T C 1.446 176.286 174.700 0.233 0.000 0.982 1168 T CA 0.647 62.806 62.100 0.099 0.000 0.959 1168 T CB 1.097 70.051 68.868 0.143 0.000 1.141 1168 T HN 0.250 nan 8.240 nan 0.000 0.494 1169 G N 1.411 110.321 108.800 0.184 0.000 2.217 1169 G HA2 -0.215 3.745 3.960 0.001 0.000 0.246 1169 G HA3 -0.215 3.745 3.960 0.001 0.000 0.246 1169 G C -0.154 174.833 174.900 0.146 0.000 0.990 1169 G CA 0.151 45.337 45.100 0.142 0.000 0.627 1169 G HN 0.793 nan 8.290 nan 0.000 0.522 1170 D N 1.544 122.037 120.400 0.155 0.000 2.419 1170 D HA 0.454 5.095 4.640 0.001 0.000 0.236 1170 D C 0.734 177.148 176.300 0.191 0.000 1.165 1170 D CA 0.857 54.930 54.000 0.120 0.000 0.882 1170 D CB 0.227 41.061 40.800 0.055 0.000 1.201 1170 D HN 0.658 nan 8.370 nan 0.000 0.443 1171 H N 0.036 119.132 119.070 0.042 0.000 3.008 1171 H HA 0.498 5.054 4.556 0.001 0.000 0.354 1171 H C -1.350 174.029 175.328 0.085 0.000 1.252 1171 H CA -1.055 55.026 56.048 0.055 0.000 1.117 1171 H CB 0.838 30.606 29.762 0.009 0.000 1.857 1171 H HN 0.288 nan 8.280 nan 0.000 0.547 1172 K N 1.150 121.564 120.400 0.023 0.000 2.270 1172 K HA 0.283 4.603 4.320 0.001 0.000 0.255 1172 K C -0.891 175.741 176.600 0.052 0.000 0.936 1172 K CA -0.873 55.409 56.287 -0.008 0.000 0.809 1172 K CB 1.074 33.622 32.500 0.079 0.000 1.131 1172 K HN 0.514 nan 8.250 nan 0.000 0.427 1173 N N 4.985 123.693 118.700 0.013 0.000 2.469 1173 N HA 0.127 4.868 4.740 0.001 0.000 0.239 1173 N C 0.640 176.155 175.510 0.008 0.000 1.053 1173 N CA 0.038 53.121 53.050 0.054 0.000 0.937 1173 N CB 0.857 39.371 38.487 0.045 0.000 1.163 1173 N HN 0.519 nan 8.380 nan 0.000 0.509 1174 L N 1.180 122.391 121.223 -0.021 0.000 2.102 1174 L HA 0.144 4.485 4.340 0.001 0.000 0.202 1174 L C 1.030 177.865 176.870 -0.058 0.000 1.076 1174 L CA 0.798 55.595 54.840 -0.071 0.000 0.761 1174 L CB 0.094 42.070 42.059 -0.138 0.000 0.921 1174 L HN 0.389 nan 8.230 nan 0.000 0.444 1175 R N -0.899 119.572 120.500 -0.049 0.000 2.561 1175 R HA 0.390 4.730 4.340 0.001 0.000 0.266 1175 R C -1.678 174.600 176.300 -0.037 0.000 1.091 1175 R CA -0.294 55.784 56.100 -0.037 0.000 0.927 1175 R CB 2.013 32.288 30.300 -0.041 0.000 1.240 1175 R HN -0.203 nan 8.270 nan 0.000 0.449 1176 T N 2.571 117.092 114.554 -0.054 0.000 2.893 1176 T HA 0.410 4.760 4.350 0.001 0.000 0.293 1176 T C -1.679 173.006 174.700 -0.026 0.000 1.027 1176 T CA -0.601 61.448 62.100 -0.086 0.000 0.988 1176 T CB 1.683 70.372 68.868 -0.298 0.000 1.043 1176 T HN 0.560 nan 8.240 nan 0.000 0.461 1177 D N 1.555 121.933 120.400 -0.036 0.000 2.787 1177 D HA 0.628 5.268 4.640 0.001 0.000 0.246 1177 D C -0.796 175.480 176.300 -0.040 0.000 1.150 1177 D CA -0.303 53.688 54.000 -0.016 0.000 0.864 1177 D CB 1.645 42.432 40.800 -0.022 0.000 1.481 1177 D HN 0.341 nan 8.370 nan 0.000 0.509 1178 I N 1.692 122.244 120.570 -0.030 0.000 2.498 1178 I HA 0.461 4.632 4.170 0.001 0.000 0.290 1178 I C -0.958 175.161 176.117 0.004 0.000 1.032 1178 I CA -1.057 60.231 61.300 -0.020 0.000 1.073 1178 I CB 2.145 40.121 38.000 -0.041 0.000 1.251 1178 I HN 0.022 nan 8.210 nan 0.000 0.426 1179 V N 6.402 126.331 119.914 0.025 0.000 2.444 1179 V HA 0.515 4.636 4.120 0.001 0.000 0.294 1179 V C -0.425 175.708 176.094 0.065 0.000 1.022 1179 V CA -0.464 61.858 62.300 0.035 0.000 0.850 1179 V CB 1.748 33.586 31.823 0.024 0.000 0.992 1179 V HN 0.657 nan 8.190 nan 0.000 0.426 1180 M N 3.998 123.638 119.600 0.066 0.000 2.395 1180 M HA 0.547 5.027 4.480 0.001 0.000 0.307 1180 M C -1.077 175.278 176.300 0.090 0.000 1.091 1180 M CA -0.424 54.929 55.300 0.088 0.000 0.919 1180 M CB 1.903 34.547 32.600 0.073 0.000 1.662 1180 M HN 0.656 nan 8.290 nan 0.000 0.440 1181 D N 3.482 123.956 120.400 0.123 0.000 2.428 1181 D HA 0.346 4.986 4.640 0.001 0.000 0.221 1181 D C -0.149 176.225 176.300 0.123 0.000 1.123 1181 D CA -0.291 53.789 54.000 0.132 0.000 0.869 1181 D CB 0.682 41.606 40.800 0.208 0.000 1.032 1181 D HN 0.424 nan 8.370 nan 0.000 0.506 1182 V N 2.181 122.147 119.914 0.088 0.000 2.982 1182 V HA 0.634 4.755 4.120 0.001 0.000 0.368 1182 V C 1.139 177.269 176.094 0.059 0.000 1.350 1182 V CA 0.141 62.487 62.300 0.076 0.000 1.251 1182 V CB -0.370 31.483 31.823 0.050 0.000 1.284 1182 V HN 0.660 nan 8.190 nan 0.000 0.533 1183 G N 1.521 110.358 108.800 0.061 0.000 2.578 1183 G HA2 -0.256 3.704 3.960 0.001 0.000 0.275 1183 G HA3 -0.256 3.704 3.960 0.001 0.000 0.275 1183 G C 0.071 174.988 174.900 0.028 0.000 1.271 1183 G CA 0.024 45.141 45.100 0.028 0.000 0.941 1183 G HN 1.054 nan 8.290 nan 0.000 0.564 1184 S N 0.392 116.102 115.700 0.017 0.000 2.423 1184 S HA 0.466 4.936 4.470 0.001 0.000 0.302 1184 S C 0.687 175.302 174.600 0.025 0.000 1.143 1184 S CA 0.649 58.864 58.200 0.025 0.000 1.080 1184 S CB 1.038 64.251 63.200 0.022 0.000 1.081 1184 S HN 1.277 nan 8.310 nan 0.000 0.522 1185 S N 3.564 119.280 115.700 0.026 0.000 2.593 1185 S HA 0.048 4.519 4.470 0.001 0.000 0.300 1185 S C 1.437 176.040 174.600 0.005 0.000 1.267 1185 S CA -0.515 57.692 58.200 0.010 0.000 1.065 1185 S CB 0.003 63.199 63.200 -0.007 0.000 0.807 1185 S HN 0.655 nan 8.310 nan 0.000 0.499 1186 L N 3.253 124.478 121.223 0.004 0.000 2.131 1186 L HA 0.007 4.348 4.340 0.001 0.000 0.210 1186 L C 1.168 178.021 176.870 -0.029 0.000 1.092 1186 L CA 0.905 55.747 54.840 0.002 0.000 0.759 1186 L CB -0.425 41.644 42.059 0.017 0.000 0.903 1186 L HN 0.673 nan 8.230 nan 0.000 0.435 1187 N N -0.979 117.688 118.700 -0.054 0.000 2.747 1187 N HA 0.118 4.859 4.740 0.001 0.000 0.262 1187 N C -2.341 173.071 175.510 -0.163 0.000 1.261 1187 N CA -1.034 51.959 53.050 -0.095 0.000 0.809 1187 N CB 1.604 40.041 38.487 -0.083 0.000 1.450 1187 N HN -0.256 nan 8.380 nan 0.000 0.560 1188 P HA -0.014 nan 4.420 nan 0.000 0.223 1188 P C 1.079 178.088 177.300 -0.485 0.000 1.151 1188 P CA 0.687 63.569 63.100 -0.363 0.000 0.787 1188 P CB 0.394 31.764 31.700 -0.551 0.000 0.788 1189 A N 0.395 122.895 122.820 -0.534 0.000 1.877 1189 A HA -0.142 4.179 4.320 0.001 0.000 0.216 1189 A C 2.311 179.639 177.584 -0.427 0.000 1.186 1189 A CA 1.313 52.940 52.037 -0.683 0.000 0.620 1189 A CB -1.483 16.826 19.000 -1.151 0.000 0.822 1189 A HN 0.095 nan 8.150 nan 0.000 0.443 1190 I N -0.284 120.120 120.570 -0.277 0.000 2.315 1190 I HA -0.199 3.972 4.170 0.001 0.000 0.248 1190 I C 1.653 177.705 176.117 -0.107 0.000 1.117 1190 I CA 1.400 62.621 61.300 -0.132 0.000 1.404 1190 I CB -0.425 37.530 38.000 -0.074 0.000 1.071 1190 I HN 0.248 nan 8.210 nan 0.000 0.419 1191 D N 0.831 121.154 120.400 -0.128 0.000 2.183 1191 D HA -0.060 4.581 4.640 0.001 0.000 0.203 1191 D C 2.219 178.468 176.300 -0.084 0.000 0.969 1191 D CA 1.124 55.074 54.000 -0.083 0.000 0.842 1191 D CB -0.003 40.755 40.800 -0.070 0.000 0.957 1191 D HN 0.308 nan 8.370 nan 0.000 0.484 1192 I N 0.720 121.207 120.570 -0.139 0.000 2.353 1192 I HA -0.104 4.067 4.170 0.001 0.000 0.248 1192 I C 2.455 178.510 176.117 -0.103 0.000 1.119 1192 I CA 0.987 62.210 61.300 -0.128 0.000 1.417 1192 I CB -0.225 37.669 38.000 -0.177 0.000 1.078 1192 I HN 0.003 nan 8.210 nan 0.000 0.421 1193 G N 0.045 108.784 108.800 -0.102 0.000 2.446 1193 G HA2 -0.247 3.713 3.960 0.001 0.000 0.217 1193 G HA3 -0.247 3.713 3.960 0.001 0.000 0.217 1193 G C 1.561 176.456 174.900 -0.007 0.000 1.168 1193 G CA 0.451 45.520 45.100 -0.052 0.000 0.771 1193 G HN 0.258 nan 8.290 nan 0.000 0.551 1194 Q N 0.221 120.020 119.800 -0.002 0.000 2.050 1194 Q HA -0.070 4.271 4.340 0.001 0.000 0.202 1194 Q C 3.025 179.053 176.000 0.047 0.000 0.980 1194 Q CA 1.116 56.936 55.803 0.028 0.000 0.840 1194 Q CB -1.018 27.726 28.738 0.010 0.000 0.898 1194 Q HN 0.377 nan 8.270 nan 0.000 0.424 1195 V N 1.619 121.551 119.914 0.029 0.000 2.252 1195 V HA -0.295 3.825 4.120 0.001 0.000 0.249 1195 V C 2.198 178.374 176.094 0.137 0.000 1.056 1195 V CA 2.269 64.609 62.300 0.067 0.000 1.022 1195 V CB -0.539 31.298 31.823 0.023 0.000 0.641 1195 V HN 0.424 nan 8.190 nan 0.000 0.445 1196 E N -0.058 120.189 120.200 0.079 0.000 2.072 1196 E HA -0.096 4.255 4.350 0.001 0.000 0.190 1196 E C 2.351 179.111 176.600 0.267 0.000 0.982 1196 E CA 1.055 57.563 56.400 0.180 0.000 0.803 1196 E CB -0.546 29.103 29.700 -0.084 0.000 0.755 1196 E HN 0.643 nan 8.360 nan 0.000 0.453 1197 G N 1.383 110.263 108.800 0.134 0.000 2.440 1197 G HA2 -0.298 3.663 3.960 0.001 0.000 0.218 1197 G HA3 -0.298 3.663 3.960 0.001 0.000 0.218 1197 G C 1.683 176.651 174.900 0.114 0.000 1.154 1197 G CA 1.018 46.179 45.100 0.100 0.000 0.767 1197 G HN 0.346 nan 8.290 nan 0.000 0.552 1198 A N 0.347 123.251 122.820 0.140 0.000 1.873 1198 A HA 0.131 4.451 4.320 0.001 0.000 0.215 1198 A C 2.157 179.819 177.584 0.129 0.000 1.186 1198 A CA 1.494 53.599 52.037 0.114 0.000 0.616 1198 A CB -0.610 18.447 19.000 0.095 0.000 0.823 1198 A HN 0.373 nan 8.150 nan 0.000 0.442 1199 F N 0.962 120.965 119.950 0.088 0.000 2.063 1199 F HA -0.238 4.290 4.527 0.001 0.000 0.298 1199 F C 2.242 178.085 175.800 0.070 0.000 1.109 1199 F CA 2.372 60.436 58.000 0.106 0.000 1.212 1199 F CB -0.412 38.707 39.000 0.198 0.000 0.973 1199 F HN 0.033 nan 8.300 nan 0.000 0.480 1200 V N -0.091 119.921 119.914 0.164 0.000 2.515 1200 V HA -0.286 3.835 4.120 0.001 0.000 0.250 1200 V C 2.326 178.362 176.094 -0.097 0.000 1.058 1200 V CA 2.065 64.385 62.300 0.034 0.000 1.064 1200 V CB -0.713 31.219 31.823 0.181 0.000 0.675 1200 V HN 0.422 nan 8.190 nan 0.000 0.461 1201 Q N -0.141 119.607 119.800 -0.088 0.000 2.167 1201 Q HA -0.129 4.212 4.340 0.001 0.000 0.202 1201 Q C 2.265 178.124 176.000 -0.235 0.000 0.970 1201 Q CA 1.602 57.321 55.803 -0.140 0.000 0.855 1201 Q CB -0.324 28.353 28.738 -0.102 0.000 0.911 1201 Q HN 0.711 nan 8.270 nan 0.000 0.438 1202 G N 0.760 109.408 108.800 -0.253 0.000 2.394 1202 G HA2 -0.211 3.750 3.960 0.001 0.000 0.215 1202 G HA3 -0.211 3.750 3.960 0.001 0.000 0.215 1202 G C 1.373 176.071 174.900 -0.337 0.000 1.165 1202 G CA 0.828 45.715 45.100 -0.354 0.000 0.784 1202 G HN 0.418 nan 8.290 nan 0.000 0.535 1203 L N 1.285 122.303 121.223 -0.342 0.000 2.043 1203 L HA 0.115 4.456 4.340 0.001 0.000 0.212 1203 L C 2.478 179.249 176.870 -0.165 0.000 1.075 1203 L CA 2.462 57.160 54.840 -0.237 0.000 0.752 1203 L CB -1.362 40.506 42.059 -0.318 0.000 0.891 1203 L HN 0.086 nan 8.230 nan 0.000 0.432 1204 G N 0.225 108.900 108.800 -0.208 0.000 2.446 1204 G HA2 -0.299 3.662 3.960 0.001 0.000 0.217 1204 G HA3 -0.299 3.662 3.960 0.001 0.000 0.217 1204 G C 1.595 176.327 174.900 -0.280 0.000 1.168 1204 G CA 1.153 46.124 45.100 -0.215 0.000 0.771 1204 G HN 0.516 nan 8.290 nan 0.000 0.551 1205 L N -0.566 120.399 121.223 -0.430 0.000 2.046 1205 L HA 0.141 4.482 4.340 0.001 0.000 0.208 1205 L C 2.370 178.925 176.870 -0.525 0.000 1.077 1205 L CA 1.694 56.176 54.840 -0.596 0.000 0.747 1205 L CB -0.477 41.002 42.059 -0.967 0.000 0.896 1205 L HN 0.263 nan 8.230 nan 0.000 0.432 1206 F N -1.290 118.504 119.950 -0.261 0.000 2.743 1206 F HA 0.039 4.567 4.527 0.001 0.000 0.297 1206 F C 1.729 177.510 175.800 -0.030 0.000 1.131 1206 F CA 0.636 58.488 58.000 -0.245 0.000 1.426 1206 F CB -0.017 38.833 39.000 -0.251 0.000 1.116 1206 F HN 0.329 nan 8.300 nan 0.000 0.583 1207 T N -5.209 109.381 114.554 0.060 0.000 3.092 1207 T HA 0.187 4.538 4.350 0.001 0.000 0.273 1207 T C 0.858 175.556 174.700 -0.003 0.000 0.898 1207 T CA 0.055 62.181 62.100 0.043 0.000 0.868 1207 T CB 0.096 68.992 68.868 0.046 0.000 1.228 1207 T HN 0.015 nan 8.240 nan 0.000 0.555 1208 L N 0.618 121.796 121.223 -0.075 0.000 2.713 1208 L HA 0.569 4.909 4.340 0.001 0.000 0.223 1208 L C 0.191 176.937 176.870 -0.207 0.000 1.040 1208 L CA 0.517 55.286 54.840 -0.118 0.000 0.894 1208 L CB 0.300 42.275 42.059 -0.140 0.000 1.361 1208 L HN 0.260 nan 8.230 nan 0.000 0.490 1209 E N 1.034 121.072 120.200 -0.271 0.000 2.200 1209 E HA 0.382 4.733 4.350 0.001 0.000 0.283 1209 E C -0.517 175.977 176.600 -0.176 0.000 1.015 1209 E CA -0.026 56.122 56.400 -0.421 0.000 0.819 1209 E CB 1.274 30.725 29.700 -0.415 0.000 1.081 1209 E HN 0.055 nan 8.360 nan 0.000 0.397 1210 E N 3.582 123.726 120.200 -0.093 0.000 2.311 1210 E HA 0.233 4.584 4.350 0.001 0.000 0.281 1210 E C -1.452 175.126 176.600 -0.036 0.000 0.905 1210 E CA -0.440 55.929 56.400 -0.052 0.000 0.778 1210 E CB 1.144 30.749 29.700 -0.158 0.000 1.240 1210 E HN 0.378 nan 8.360 nan 0.000 0.410 1211 L N 3.874 125.068 121.223 -0.049 0.000 2.312 1211 L HA 0.483 4.823 4.340 0.001 0.000 0.281 1211 L C -0.464 176.205 176.870 -0.335 0.000 1.070 1211 L CA -0.526 54.216 54.840 -0.163 0.000 0.805 1211 L CB 0.979 42.996 42.059 -0.071 0.000 1.174 1211 L HN 0.582 nan 8.230 nan 0.000 0.434 1212 H N 1.545 120.543 119.070 -0.120 0.000 2.538 1212 H HA 0.510 5.067 4.556 0.001 0.000 0.353 1212 H C -1.404 173.738 175.328 -0.309 0.000 1.109 1212 H CA -0.467 55.574 56.048 -0.012 0.000 1.192 1212 H CB 1.706 31.557 29.762 0.147 0.000 1.555 1212 H HN 0.317 nan 8.280 nan 0.000 0.518 1213 Y N 0.423 120.816 120.300 0.156 0.000 2.446 1213 Y HA 0.273 4.823 4.550 0.001 0.000 0.345 1213 Y C 0.462 176.307 175.900 -0.091 0.000 0.984 1213 Y CA -1.101 56.956 58.100 -0.071 0.000 1.058 1213 Y CB 1.728 40.173 38.460 -0.025 0.000 1.220 1213 Y HN 0.670 nan 8.280 nan 0.000 0.455 1214 S N 1.873 117.452 115.700 -0.201 0.000 2.580 1214 S HA 0.100 4.570 4.470 0.001 0.000 0.266 1214 S C -1.980 172.675 174.600 0.092 0.000 1.354 1214 S CA -0.832 57.394 58.200 0.043 0.000 1.008 1214 S CB 0.861 64.057 63.200 -0.007 0.000 0.898 1214 S HN 0.497 nan 8.310 nan 0.000 0.555 1215 P HA -0.114 nan 4.420 nan 0.000 0.218 1215 P C 1.089 178.408 177.300 0.031 0.000 1.148 1215 P CA 1.153 64.287 63.100 0.056 0.000 0.822 1215 P CB -0.124 31.603 31.700 0.045 0.000 0.784 1216 E N -0.444 119.774 120.200 0.030 0.000 2.438 1216 E HA 0.076 4.427 4.350 0.001 0.000 0.192 1216 E C 1.064 177.673 176.600 0.015 0.000 1.110 1216 E CA 0.680 57.090 56.400 0.016 0.000 0.893 1216 E CB -1.274 28.433 29.700 0.012 0.000 0.990 1216 E HN 0.258 nan 8.360 nan 0.000 0.490 1217 G N 0.829 109.647 108.800 0.031 0.000 2.132 1217 G HA2 -0.276 3.684 3.960 0.001 0.000 0.234 1217 G HA3 -0.276 3.684 3.960 0.001 0.000 0.234 1217 G C 0.039 175.008 174.900 0.115 0.000 0.989 1217 G CA 0.395 45.520 45.100 0.042 0.000 0.676 1217 G HN 0.468 nan 8.290 nan 0.000 0.522 1218 S N -0.199 115.543 115.700 0.069 0.000 2.429 1218 S HA 0.636 5.107 4.470 0.001 0.000 0.302 1218 S C 0.361 174.905 174.600 -0.092 0.000 1.115 1218 S CA -0.693 57.521 58.200 0.023 0.000 1.095 1218 S CB 0.953 64.137 63.200 -0.026 0.000 0.987 1218 S HN 1.240 nan 8.310 nan 0.000 0.474 1219 L N 6.573 127.768 121.223 -0.048 0.000 2.513 1219 L HA 0.228 4.569 4.340 0.001 0.000 0.272 1219 L C 1.156 177.871 176.870 -0.258 0.000 1.187 1219 L CA 0.844 55.487 54.840 -0.328 0.000 0.895 1219 L CB 0.160 42.072 42.059 -0.245 0.000 1.147 1219 L HN 0.813 nan 8.230 nan 0.000 0.483 1220 H N 1.799 120.793 119.070 -0.128 0.000 2.415 1220 H HA 0.063 4.619 4.556 0.001 0.000 0.297 1220 H C 0.368 175.685 175.328 -0.018 0.000 1.048 1220 H CA 1.153 57.185 56.048 -0.026 0.000 1.365 1220 H CB -0.176 29.599 29.762 0.022 0.000 1.421 1220 H HN 0.682 nan 8.280 nan 0.000 0.533 1221 T N 0.260 114.854 114.554 0.066 0.000 2.875 1221 T HA 0.386 4.737 4.350 0.001 0.000 0.307 1221 T C 0.730 175.439 174.700 0.016 0.000 1.013 1221 T CA -0.622 61.522 62.100 0.074 0.000 0.970 1221 T CB 0.487 69.416 68.868 0.102 0.000 0.986 1221 T HN 0.185 nan 8.240 nan 0.000 0.536 1222 R N 1.974 122.506 120.500 0.055 0.000 2.613 1222 R HA 0.474 4.815 4.340 0.001 0.000 0.361 1222 R C 0.658 177.019 176.300 0.102 0.000 1.072 1222 R CA -0.545 55.590 56.100 0.059 0.000 1.089 1222 R CB 1.035 31.380 30.300 0.075 0.000 1.343 1222 R HN 0.831 nan 8.270 nan 0.000 0.571 1223 G N 0.373 109.265 108.800 0.153 0.000 2.466 1223 G HA2 0.121 4.082 3.960 0.001 0.000 0.291 1223 G HA3 0.121 4.082 3.960 0.001 0.000 0.291 1223 G C -2.686 172.379 174.900 0.274 0.000 1.460 1223 G CA -0.754 44.474 45.100 0.212 0.000 0.791 1223 G HN -0.282 nan 8.290 nan 0.000 0.505 1224 P HA -0.040 nan 4.420 nan 0.000 0.230 1224 P C 1.765 179.101 177.300 0.060 0.000 1.158 1224 P CA 1.529 64.712 63.100 0.139 0.000 0.769 1224 P CB 0.200 31.995 31.700 0.160 0.000 0.807 1225 S N 0.091 115.822 115.700 0.052 0.000 2.382 1225 S HA -0.121 4.349 4.470 0.001 0.000 0.228 1225 S C 1.869 176.481 174.600 0.021 0.000 1.027 1225 S CA 2.074 60.280 58.200 0.010 0.000 0.991 1225 S CB -1.785 61.398 63.200 -0.029 0.000 0.823 1225 S HN 0.367 nan 8.310 nan 0.000 0.469 1226 T N -3.833 110.757 114.554 0.060 0.000 2.959 1226 T HA 0.267 4.618 4.350 0.001 0.000 0.254 1226 T C -0.015 174.766 174.700 0.134 0.000 1.003 1226 T CA -0.401 61.751 62.100 0.086 0.000 0.950 1226 T CB -0.337 68.591 68.868 0.099 0.000 1.090 1226 T HN 0.336 nan 8.240 nan 0.000 0.503 1227 Y N 3.139 123.435 120.300 -0.007 0.000 2.342 1227 Y HA 0.554 5.104 4.550 0.001 0.000 0.338 1227 Y C -0.890 174.939 175.900 -0.118 0.000 0.965 1227 Y CA -1.725 56.350 58.100 -0.041 0.000 1.159 1227 Y CB 0.873 39.335 38.460 0.004 0.000 1.157 1227 Y HN -0.147 nan 8.280 nan 0.000 0.486 1228 K N 8.981 129.053 120.400 -0.547 0.000 2.404 1228 K HA 0.318 4.639 4.320 0.001 0.000 0.257 1228 K C -0.336 175.957 176.600 -0.512 0.000 1.026 1228 K CA -0.382 55.662 56.287 -0.404 0.000 0.951 1228 K CB 0.673 33.039 32.500 -0.224 0.000 1.203 1228 K HN 0.810 nan 8.250 nan 0.000 0.446 1229 I N -0.807 119.476 120.570 -0.479 0.000 2.970 1229 I HA 0.451 4.622 4.170 0.001 0.000 0.310 1229 I C -2.174 173.831 176.117 -0.186 0.000 1.010 1229 I CA -2.798 58.286 61.300 -0.359 0.000 1.228 1229 I CB 0.333 38.134 38.000 -0.333 0.000 1.433 1229 I HN 0.135 nan 8.210 nan 0.000 0.573 1230 P HA 0.086 nan 4.420 nan 0.000 0.262 1230 P C -0.706 176.642 177.300 0.080 0.000 1.182 1230 P CA 0.213 63.314 63.100 0.002 0.000 0.761 1230 P CB 0.587 32.330 31.700 0.072 0.000 0.795 1231 A N 2.858 125.640 122.820 -0.064 0.000 2.242 1231 A HA 0.395 4.716 4.320 0.001 0.000 0.304 1231 A C 0.840 178.032 177.584 -0.653 0.000 1.100 1231 A CA -0.388 51.542 52.037 -0.178 0.000 0.860 1231 A CB -0.186 18.787 19.000 -0.044 0.000 1.168 1231 A HN 0.452 nan 8.150 nan 0.000 0.503 1232 F N 0.508 119.937 119.950 -0.869 0.000 2.120 1232 F HA -0.102 4.426 4.527 0.001 0.000 0.300 1232 F C 2.499 178.128 175.800 -0.284 0.000 1.095 1232 F CA 2.420 59.930 58.000 -0.816 0.000 1.249 1232 F CB -0.280 38.566 39.000 -0.256 0.000 0.995 1232 F HN 0.635 nan 8.300 nan 0.000 0.480 1233 G N -1.974 106.863 108.800 0.062 0.000 2.776 1233 G HA2 -0.094 3.867 3.960 0.001 0.000 0.209 1233 G HA3 -0.094 3.867 3.960 0.001 0.000 0.209 1233 G C 1.507 176.424 174.900 0.028 0.000 1.145 1233 G CA 0.781 45.939 45.100 0.096 0.000 0.791 1233 G HN 0.327 nan 8.290 nan 0.000 0.530 1234 S N -0.040 115.636 115.700 -0.040 0.000 2.503 1234 S HA 0.199 4.669 4.470 0.001 0.000 0.217 1234 S C 1.191 175.788 174.600 -0.004 0.000 0.999 1234 S CA -0.378 57.793 58.200 -0.048 0.000 0.914 1234 S CB -0.032 63.134 63.200 -0.057 0.000 0.782 1234 S HN 0.604 nan 8.310 nan 0.000 0.520 1235 I N 0.102 120.696 120.570 0.038 0.000 2.945 1235 I HA 0.397 4.567 4.170 0.001 0.000 0.292 1235 I C -2.976 173.131 176.117 -0.018 0.000 1.093 1235 I CA -2.648 58.676 61.300 0.041 0.000 1.336 1235 I CB -0.053 38.056 38.000 0.182 0.000 1.435 1235 I HN -0.218 nan 8.210 nan 0.000 0.593 1236 P HA 0.070 nan 4.420 nan 0.000 0.264 1236 P C 0.354 177.661 177.300 0.011 0.000 1.193 1236 P CA 0.095 63.114 63.100 -0.134 0.000 0.763 1236 P CB 0.656 32.155 31.700 -0.335 0.000 0.810 1237 T N 1.130 115.719 114.554 0.059 0.000 2.759 1237 T HA -0.192 4.159 4.350 0.001 0.000 0.269 1237 T C 0.649 175.433 174.700 0.141 0.000 1.042 1237 T CA 1.416 63.589 62.100 0.122 0.000 1.140 1237 T CB -0.236 68.695 68.868 0.104 0.000 0.864 1237 T HN 0.521 nan 8.240 nan 0.000 0.455 1238 E N -0.003 120.255 120.200 0.097 0.000 2.158 1238 E HA 0.493 4.843 4.350 0.001 0.000 0.271 1238 E C -1.610 175.096 176.600 0.177 0.000 0.911 1238 E CA -0.740 55.738 56.400 0.130 0.000 0.767 1238 E CB 0.823 30.568 29.700 0.075 0.000 1.120 1238 E HN 0.344 nan 8.360 nan 0.000 0.405 1239 F N 5.139 125.102 119.950 0.021 0.000 2.671 1239 F HA 0.472 5.000 4.527 0.001 0.000 0.332 1239 F C -1.052 174.735 175.800 -0.021 0.000 1.189 1239 F CA -0.868 57.124 58.000 -0.013 0.000 0.988 1239 F CB 1.040 40.054 39.000 0.023 0.000 1.258 1239 F HN 0.429 nan 8.300 nan 0.000 0.471 1240 R N 5.226 125.870 120.500 0.240 0.000 2.561 1240 R HA 0.733 5.074 4.340 0.001 0.000 0.297 1240 R C -1.697 174.606 176.300 0.005 0.000 0.969 1240 R CA -1.116 55.019 56.100 0.059 0.000 0.879 1240 R CB 2.971 33.300 30.300 0.048 0.000 1.178 1240 R HN 0.323 nan 8.270 nan 0.000 0.445 1241 V N 1.748 121.630 119.914 -0.052 0.000 2.577 1241 V HA 0.397 4.517 4.120 0.001 0.000 0.303 1241 V C -0.670 175.418 176.094 -0.010 0.000 1.042 1241 V CA -0.677 61.588 62.300 -0.058 0.000 0.872 1241 V CB 2.241 33.979 31.823 -0.143 0.000 0.998 1241 V HN 0.817 nan 8.190 nan 0.000 0.423 1242 S N 5.247 120.952 115.700 0.009 0.000 2.526 1242 S HA 0.737 5.207 4.470 0.001 0.000 0.293 1242 S C -0.713 173.915 174.600 0.047 0.000 1.092 1242 S CA -0.673 57.549 58.200 0.036 0.000 0.980 1242 S CB 1.722 64.935 63.200 0.022 0.000 1.048 1242 S HN 0.524 nan 8.310 nan 0.000 0.483 1243 L N 2.635 123.904 121.223 0.077 0.000 2.289 1243 L HA 0.434 4.775 4.340 0.001 0.000 0.285 1243 L C -0.276 176.633 176.870 0.066 0.000 1.049 1243 L CA -1.020 53.863 54.840 0.073 0.000 0.804 1243 L CB 0.782 42.895 42.059 0.091 0.000 1.195 1243 L HN 0.491 nan 8.230 nan 0.000 0.428 1244 L N 4.676 125.934 121.223 0.058 0.000 2.559 1244 L HA 0.025 4.365 4.340 0.001 0.000 0.274 1244 L C 0.520 177.416 176.870 0.044 0.000 1.205 1244 L CA 0.660 55.529 54.840 0.048 0.000 0.907 1244 L CB 0.001 42.093 42.059 0.055 0.000 1.153 1244 L HN 0.490 nan 8.230 nan 0.000 0.490 1245 R N 4.478 124.995 120.500 0.030 0.000 2.582 1245 R HA 0.186 4.527 4.340 0.001 0.000 0.271 1245 R C -0.176 176.137 176.300 0.021 0.000 1.078 1245 R CA -0.442 55.672 56.100 0.023 0.000 1.127 1245 R CB 0.212 30.516 30.300 0.006 0.000 1.038 1245 R HN 0.689 nan 8.270 nan 0.000 0.500 1246 D N 0.322 120.733 120.400 0.019 0.000 2.697 1246 D HA -0.135 4.506 4.640 0.001 0.000 0.238 1246 D C -0.253 176.059 176.300 0.020 0.000 1.152 1246 D CA 1.025 55.035 54.000 0.016 0.000 0.666 1246 D CB -1.211 39.596 40.800 0.011 0.000 1.037 1246 D HN 0.770 nan 8.370 nan 0.000 0.423 1247 C N -1.724 117.590 119.300 0.024 0.000 3.206 1247 C HA 0.365 4.825 4.460 0.001 0.000 0.206 1247 C C -2.170 172.832 174.990 0.020 0.000 1.836 1247 C CA -1.763 57.272 59.018 0.028 0.000 1.382 1247 C CB 0.129 27.895 27.740 0.043 0.000 2.405 1247 C HN 0.098 nan 8.230 nan 0.000 0.516 1248 P HA 0.029 nan 4.420 nan 0.000 0.264 1248 P C -0.455 176.826 177.300 -0.031 0.000 1.183 1248 P CA 0.963 64.059 63.100 -0.007 0.000 0.763 1248 P CB 0.603 32.301 31.700 -0.004 0.000 0.807 1249 N N 2.781 121.438 118.700 -0.073 0.000 2.546 1249 N HA 0.053 4.794 4.740 0.001 0.000 0.238 1249 N C 1.161 176.570 175.510 -0.167 0.000 0.984 1249 N CA -0.583 52.373 53.050 -0.157 0.000 0.935 1249 N CB 0.568 38.887 38.487 -0.280 0.000 1.122 1249 N HN 0.291 nan 8.380 nan 0.000 0.510 1250 K N 2.457 122.781 120.400 -0.127 0.000 2.439 1250 K HA 0.013 4.334 4.320 0.001 0.000 0.197 1250 K C 0.360 176.893 176.600 -0.111 0.000 1.041 1250 K CA 0.771 57.001 56.287 -0.095 0.000 0.970 1250 K CB 0.179 32.646 32.500 -0.055 0.000 0.773 1250 K HN 0.307 nan 8.250 nan 0.000 0.479 1251 K N 0.554 120.838 120.400 -0.193 0.000 2.487 1251 K HA 0.146 4.467 4.320 0.001 0.000 0.192 1251 K C 0.314 176.891 176.600 -0.038 0.000 1.027 1251 K CA 0.297 56.498 56.287 -0.143 0.000 1.054 1251 K CB 0.659 32.933 32.500 -0.377 0.000 0.824 1251 K HN 0.288 nan 8.250 nan 0.000 0.510 1252 A N 0.962 123.679 122.820 -0.173 0.000 2.566 1252 A HA 0.431 4.752 4.320 0.001 0.000 0.292 1252 A C -0.925 176.533 177.584 -0.209 0.000 1.112 1252 A CA -0.884 51.063 52.037 -0.149 0.000 0.707 1252 A CB 0.878 19.806 19.000 -0.119 0.000 1.302 1252 A HN 0.160 nan 8.150 nan 0.000 0.409 1253 I N 0.905 121.310 120.570 -0.276 0.000 2.821 1253 I HA 0.084 4.255 4.170 0.001 0.000 0.294 1253 I C 0.195 176.156 176.117 -0.260 0.000 1.210 1253 I CA 1.327 62.374 61.300 -0.422 0.000 1.430 1253 I CB -0.736 37.000 38.000 -0.440 0.000 1.356 1253 I HN 0.672 nan 8.210 nan 0.000 0.563 1254 Y N 5.509 125.703 120.300 -0.176 0.000 3.875 1254 Y HA -0.310 4.241 4.550 0.001 0.000 0.216 1254 Y C 1.377 177.221 175.900 -0.092 0.000 1.148 1254 Y CA 0.553 58.583 58.100 -0.117 0.000 1.629 1254 Y CB -1.865 36.545 38.460 -0.083 0.000 1.506 1254 Y HN 1.055 nan 8.280 nan 0.000 0.629 1255 A N -1.224 121.595 122.820 -0.002 0.000 3.028 1255 A HA -0.220 4.101 4.320 0.001 0.000 0.248 1255 A C 0.952 178.512 177.584 -0.040 0.000 1.316 1255 A CA 0.899 52.916 52.037 -0.034 0.000 1.003 1255 A CB -1.975 17.023 19.000 -0.002 0.000 1.148 1255 A HN 1.300 nan 8.150 nan 0.000 0.828 1256 S N -0.740 114.940 115.700 -0.033 0.000 2.681 1256 S HA 0.769 5.240 4.470 0.001 0.000 0.270 1256 S C -0.097 174.474 174.600 -0.049 0.000 1.209 1256 S CA -0.114 58.075 58.200 -0.019 0.000 0.988 1256 S CB 1.369 64.576 63.200 0.011 0.000 1.006 1256 S HN 0.550 nan 8.310 nan 0.000 0.558 1257 K N -0.078 120.336 120.400 0.024 0.000 2.426 1257 K HA 0.632 4.952 4.320 0.001 0.000 0.251 1257 K C -0.544 176.150 176.600 0.157 0.000 0.941 1257 K CA -0.875 55.494 56.287 0.136 0.000 0.808 1257 K CB 2.139 34.752 32.500 0.189 0.000 1.265 1257 K HN 0.853 nan 8.250 nan 0.000 0.432 1258 A N 1.125 124.082 122.820 0.228 0.000 2.561 1258 A HA 0.082 4.403 4.320 0.001 0.000 0.234 1258 A C 0.658 178.265 177.584 0.038 0.000 1.055 1258 A CA 0.155 52.245 52.037 0.088 0.000 0.756 1258 A CB 0.364 19.381 19.000 0.028 0.000 0.986 1258 A HN 0.553 nan 8.150 nan 0.000 0.505 1259 V N 2.332 122.243 119.914 -0.006 0.000 3.332 1259 V HA 0.207 4.328 4.120 0.001 0.000 0.263 1259 V C 1.840 177.901 176.094 -0.055 0.000 1.562 1259 V CA 1.498 63.787 62.300 -0.019 0.000 1.040 1259 V CB -0.249 31.573 31.823 -0.002 0.000 0.857 1259 V HN 1.125 nan 8.190 nan 0.000 0.428 1260 G N 0.405 109.168 108.800 -0.061 0.000 2.446 1260 G HA2 -0.245 3.715 3.960 0.001 0.000 0.217 1260 G HA3 -0.245 3.715 3.960 0.001 0.000 0.217 1260 G C 1.183 176.026 174.900 -0.094 0.000 1.168 1260 G CA 1.562 46.632 45.100 -0.050 0.000 0.771 1260 G HN 0.624 nan 8.290 nan 0.000 0.551 1261 E N 0.261 120.314 120.200 -0.246 0.000 2.251 1261 E HA 0.044 4.394 4.350 0.001 0.000 0.194 1261 E C -0.335 175.856 176.600 -0.681 0.000 0.964 1261 E CA -0.156 55.978 56.400 -0.444 0.000 0.868 1261 E CB -0.068 29.270 29.700 -0.604 0.000 0.828 1261 E HN 0.266 nan 8.360 nan 0.000 0.481 1262 P HA -0.179 nan 4.420 nan 0.000 0.218 1262 P C -1.660 175.565 177.300 -0.124 0.000 1.154 1262 P CA 1.939 64.755 63.100 -0.473 0.000 0.872 1262 P CB -0.802 30.810 31.700 -0.147 0.000 0.790 1263 P HA 0.013 nan 4.420 nan 0.000 0.236 1263 P C 1.525 178.915 177.300 0.150 0.000 1.177 1263 P CA 0.462 63.626 63.100 0.106 0.000 0.773 1263 P CB -0.416 31.355 31.700 0.118 0.000 0.878 1264 L N -1.193 120.072 121.223 0.070 0.000 2.079 1264 L HA -0.132 4.208 4.340 0.001 0.000 0.210 1264 L C 2.110 179.077 176.870 0.163 0.000 1.081 1264 L CA 1.575 56.463 54.840 0.080 0.000 0.752 1264 L CB -0.686 41.386 42.059 0.021 0.000 0.896 1264 L HN -0.123 nan 8.230 nan 0.000 0.433 1265 F N 0.037 120.064 119.950 0.127 0.000 2.451 1265 F HA -0.127 4.401 4.527 0.001 0.000 0.299 1265 F C 1.811 177.760 175.800 0.249 0.000 1.101 1265 F CA 0.998 59.151 58.000 0.256 0.000 1.436 1265 F CB -0.188 38.945 39.000 0.222 0.000 1.074 1265 F HN 0.016 nan 8.300 nan 0.000 0.553 1266 L N -0.200 121.082 121.223 0.098 0.000 2.261 1266 L HA -0.160 4.181 4.340 0.001 0.000 0.216 1266 L C 2.652 179.577 176.870 0.091 0.000 1.114 1266 L CA 1.032 55.953 54.840 0.135 0.000 0.777 1266 L CB -1.452 40.818 42.059 0.351 0.000 0.910 1266 L HN 0.334 nan 8.230 nan 0.000 0.440 1267 G N -0.317 108.366 108.800 -0.197 0.000 2.471 1267 G HA2 -0.182 3.779 3.960 0.001 0.000 0.219 1267 G HA3 -0.182 3.779 3.960 0.001 0.000 0.219 1267 G C 1.742 176.512 174.900 -0.218 0.000 1.125 1267 G CA 0.665 45.395 45.100 -0.616 0.000 0.775 1267 G HN 0.468 nan 8.290 nan 0.000 0.548 1268 A N 1.453 124.046 122.820 -0.378 0.000 2.070 1268 A HA -0.009 4.311 4.320 0.001 0.000 0.220 1268 A C 2.661 180.164 177.584 -0.135 0.000 1.159 1268 A CA 2.097 53.730 52.037 -0.674 0.000 0.656 1268 A CB -0.593 17.565 19.000 -1.403 0.000 0.800 1268 A HN 0.693 nan 8.150 nan 0.000 0.453 1269 S N -0.253 115.424 115.700 -0.038 0.000 2.419 1269 S HA -0.147 4.324 4.470 0.001 0.000 0.235 1269 S C 1.642 176.317 174.600 0.125 0.000 1.019 1269 S CA 1.475 59.752 58.200 0.129 0.000 0.982 1269 S CB -0.876 62.422 63.200 0.163 0.000 0.789 1269 S HN 0.283 nan 8.310 nan 0.000 0.490 1270 V N 0.839 120.793 119.914 0.067 0.000 2.379 1270 V HA -0.043 4.078 4.120 0.001 0.000 0.245 1270 V C 2.038 178.110 176.094 -0.037 0.000 1.044 1270 V CA 1.836 64.156 62.300 0.034 0.000 1.036 1270 V CB -0.993 30.842 31.823 0.020 0.000 0.664 1270 V HN 0.566 nan 8.190 nan 0.000 0.453 1271 F N 0.384 120.201 119.950 -0.222 0.000 2.134 1271 F HA -0.183 4.345 4.527 0.001 0.000 0.299 1271 F C 2.004 177.543 175.800 -0.435 0.000 1.097 1271 F CA 1.780 59.559 58.000 -0.367 0.000 1.264 1271 F CB -0.262 38.419 39.000 -0.533 0.000 1.001 1271 F HN 0.125 nan 8.300 nan 0.000 0.479 1272 F N 0.001 120.025 119.950 0.123 0.000 2.325 1272 F HA 0.013 4.541 4.527 0.001 0.000 0.299 1272 F C 2.431 178.210 175.800 -0.036 0.000 1.090 1272 F CA 0.745 58.776 58.000 0.051 0.000 1.392 1272 F CB -0.878 38.167 39.000 0.075 0.000 1.053 1272 F HN 0.065 nan 8.300 nan 0.000 0.521 1273 A N 0.617 123.474 122.820 0.061 0.000 1.873 1273 A HA -0.120 4.200 4.320 0.001 0.000 0.215 1273 A C 2.180 179.720 177.584 -0.074 0.000 1.186 1273 A CA 1.359 53.404 52.037 0.015 0.000 0.616 1273 A CB -1.008 18.003 19.000 0.018 0.000 0.823 1273 A HN 0.336 nan 8.150 nan 0.000 0.442 1274 I N -0.309 120.144 120.570 -0.195 0.000 2.145 1274 I HA -0.347 3.824 4.170 0.001 0.000 0.244 1274 I C 2.587 178.573 176.117 -0.218 0.000 1.075 1274 I CA 2.085 63.218 61.300 -0.278 0.000 1.332 1274 I CB -0.272 37.437 38.000 -0.484 0.000 1.033 1274 I HN 0.389 nan 8.210 nan 0.000 0.410 1275 K N 0.729 120.960 120.400 -0.282 0.000 2.032 1275 K HA -0.283 4.038 4.320 0.001 0.000 0.209 1275 K C 1.842 178.486 176.600 0.073 0.000 1.048 1275 K CA 2.249 58.466 56.287 -0.116 0.000 0.927 1275 K CB -0.181 32.224 32.500 -0.158 0.000 0.712 1275 K HN 0.164 nan 8.250 nan 0.000 0.441 1276 D N -0.224 120.213 120.400 0.061 0.000 2.133 1276 D HA -0.172 4.468 4.640 0.001 0.000 0.195 1276 D C 1.596 177.933 176.300 0.061 0.000 0.997 1276 D CA 1.640 55.689 54.000 0.080 0.000 0.840 1276 D CB -0.055 40.784 40.800 0.065 0.000 0.947 1276 D HN 0.369 nan 8.370 nan 0.000 0.452 1277 A N -0.336 122.499 122.820 0.024 0.000 1.929 1277 A HA -0.024 4.297 4.320 0.001 0.000 0.216 1277 A C 2.376 179.976 177.584 0.026 0.000 1.176 1277 A CA 0.714 52.764 52.037 0.022 0.000 0.628 1277 A CB -0.585 18.417 19.000 0.003 0.000 0.816 1277 A HN 0.316 nan 8.150 nan 0.000 0.444 1278 I N -0.425 120.163 120.570 0.029 0.000 2.208 1278 I HA -0.308 3.863 4.170 0.001 0.000 0.245 1278 I C 2.726 178.829 176.117 -0.023 0.000 1.097 1278 I CA 1.347 62.650 61.300 0.005 0.000 1.363 1278 I CB -0.339 37.691 38.000 0.051 0.000 1.051 1278 I HN 0.293 nan 8.210 nan 0.000 0.413 1279 R N 0.818 121.388 120.500 0.117 0.000 2.083 1279 R HA -0.169 4.172 4.340 0.001 0.000 0.237 1279 R C 2.492 178.809 176.300 0.029 0.000 1.137 1279 R CA 1.581 57.758 56.100 0.128 0.000 0.951 1279 R CB -0.678 29.745 30.300 0.204 0.000 0.851 1279 R HN 0.388 nan 8.270 nan 0.000 0.434 1280 A N 1.592 124.428 122.820 0.027 0.000 1.892 1280 A HA -0.194 4.127 4.320 0.001 0.000 0.218 1280 A C 2.439 179.994 177.584 -0.050 0.000 1.188 1280 A CA 2.020 54.054 52.037 -0.004 0.000 0.631 1280 A CB -0.749 18.261 19.000 0.018 0.000 0.822 1280 A HN 0.430 nan 8.150 nan 0.000 0.447 1281 A N -0.642 122.151 122.820 -0.045 0.000 1.972 1281 A HA -0.133 4.188 4.320 0.001 0.000 0.219 1281 A C 2.229 179.763 177.584 -0.084 0.000 1.169 1281 A CA 1.524 53.525 52.037 -0.061 0.000 0.635 1281 A CB -0.391 18.608 19.000 -0.003 0.000 0.810 1281 A HN 0.570 nan 8.150 nan 0.000 0.446 1282 R N -0.713 119.724 120.500 -0.106 0.000 2.153 1282 R HA 0.111 4.452 4.340 0.001 0.000 0.218 1282 R C 2.326 178.576 176.300 -0.084 0.000 1.072 1282 R CA 0.831 56.861 56.100 -0.117 0.000 0.990 1282 R CB -0.301 29.863 30.300 -0.226 0.000 0.889 1282 R HN 0.483 nan 8.270 nan 0.000 0.452 1283 A N 0.871 123.645 122.820 -0.077 0.000 1.969 1283 A HA -0.218 4.103 4.320 0.001 0.000 0.218 1283 A C 2.075 179.580 177.584 -0.133 0.000 1.169 1283 A CA 1.241 53.235 52.037 -0.073 0.000 0.635 1283 A CB -0.259 18.712 19.000 -0.049 0.000 0.810 1283 A HN 0.210 nan 8.150 nan 0.000 0.445 1284 Q N -0.790 118.880 119.800 -0.217 0.000 2.079 1284 Q HA -0.133 4.207 4.340 0.001 0.000 0.200 1284 Q C 0.953 176.646 176.000 -0.513 0.000 0.974 1284 Q CA 2.185 57.727 55.803 -0.436 0.000 0.840 1284 Q CB -0.209 28.153 28.738 -0.627 0.000 0.898 1284 Q HN 0.830 nan 8.270 nan 0.000 0.430 1285 H N -2.715 116.281 119.070 -0.123 0.000 3.367 1285 H HA 0.311 4.868 4.556 0.001 0.000 0.257 1285 H C 0.121 175.406 175.328 -0.072 0.000 1.201 1285 H CA 0.458 56.444 56.048 -0.103 0.000 1.102 1285 H CB 1.188 30.886 29.762 -0.106 0.000 1.656 1285 H HN 0.128 nan 8.280 nan 0.000 0.662 1286 T N -1.149 113.419 114.554 0.024 0.000 3.115 1286 T HA 0.147 4.498 4.350 0.001 0.000 0.256 1286 T C 0.223 174.917 174.700 -0.011 0.000 0.970 1286 T CA 0.033 62.132 62.100 -0.003 0.000 1.010 1286 T CB 0.477 69.323 68.868 -0.037 0.000 1.151 1286 T HN 0.099 nan 8.240 nan 0.000 0.479 1287 N N 0.654 119.342 118.700 -0.020 0.000 2.277 1287 N HA 0.413 5.154 4.740 0.001 0.000 0.286 1287 N C -0.576 174.927 175.510 -0.010 0.000 1.140 1287 N CA -0.552 52.492 53.050 -0.010 0.000 0.799 1287 N CB 1.622 40.108 38.487 -0.001 0.000 1.596 1287 N HN -0.125 nan 8.380 nan 0.000 0.473 1288 N N 0.229 118.929 118.700 -0.000 0.000 2.205 1288 N HA 0.028 4.769 4.740 0.001 0.000 0.201 1288 N C -0.684 174.835 175.510 0.015 0.000 1.128 1288 N CA 0.116 53.167 53.050 0.002 0.000 0.867 1288 N CB -0.042 38.447 38.487 0.002 0.000 0.996 1288 N HN 0.442 nan 8.380 nan 0.000 0.503 1289 N N 1.050 119.763 118.700 0.023 0.000 2.482 1289 N HA 0.107 4.848 4.740 0.001 0.000 0.242 1289 N C 0.528 176.069 175.510 0.051 0.000 1.100 1289 N CA 0.174 53.246 53.050 0.038 0.000 0.946 1289 N CB 0.450 38.964 38.487 0.044 0.000 1.227 1289 N HN -0.084 nan 8.380 nan 0.000 0.508 1290 T N 2.172 116.756 114.554 0.049 0.000 2.995 1290 T HA -0.024 4.326 4.350 0.001 0.000 0.269 1290 T C 1.115 175.863 174.700 0.080 0.000 1.091 1290 T CA 1.091 63.227 62.100 0.059 0.000 1.128 1290 T CB 0.182 69.080 68.868 0.049 0.000 0.891 1290 T HN 0.476 nan 8.240 nan 0.000 0.492 1291 K N 1.037 121.485 120.400 0.081 0.000 2.374 1291 K HA 0.164 4.484 4.320 0.001 0.000 0.196 1291 K C 0.748 177.413 176.600 0.109 0.000 1.023 1291 K CA -0.143 56.201 56.287 0.094 0.000 1.103 1291 K CB 0.435 32.988 32.500 0.088 0.000 0.848 1291 K HN 0.437 nan 8.250 nan 0.000 0.528 1292 E N 1.732 122.001 120.200 0.115 0.000 2.415 1292 E HA -0.009 4.342 4.350 0.001 0.000 0.262 1292 E C -0.902 175.808 176.600 0.184 0.000 1.038 1292 E CA 0.200 56.683 56.400 0.139 0.000 0.921 1292 E CB 0.529 30.312 29.700 0.138 0.000 0.950 1292 E HN 0.113 nan 8.360 nan 0.000 0.438 1293 L N 6.391 127.720 121.223 0.177 0.000 2.345 1293 L HA 0.370 4.710 4.340 0.001 0.000 0.274 1293 L C -0.445 176.531 176.870 0.176 0.000 0.999 1293 L CA -0.950 53.974 54.840 0.141 0.000 0.849 1293 L CB 0.322 42.445 42.059 0.107 0.000 1.220 1293 L HN 0.440 nan 8.230 nan 0.000 0.422 1294 F N 0.570 120.572 119.950 0.088 0.000 2.425 1294 F HA 0.662 5.189 4.527 0.001 0.000 0.331 1294 F C 0.215 176.082 175.800 0.111 0.000 1.085 1294 F CA -1.106 56.945 58.000 0.085 0.000 1.028 1294 F CB 0.859 39.897 39.000 0.063 0.000 1.177 1294 F HN 0.338 nan 8.300 nan 0.000 0.487 1295 R N 3.350 123.918 120.500 0.114 0.000 2.298 1295 R HA 0.508 4.848 4.340 0.001 0.000 0.310 1295 R C -1.700 174.674 176.300 0.123 0.000 1.068 1295 R CA -0.709 55.432 56.100 0.069 0.000 0.957 1295 R CB 0.854 31.245 30.300 0.152 0.000 1.003 1295 R HN 0.866 nan 8.270 nan 0.000 0.454 1296 L N 5.371 126.629 121.223 0.058 0.000 2.353 1296 L HA 0.363 4.704 4.340 0.001 0.000 0.270 1296 L C -1.201 175.899 176.870 0.384 0.000 1.003 1296 L CA -0.464 54.496 54.840 0.200 0.000 0.862 1296 L CB 1.246 43.355 42.059 0.083 0.000 1.221 1296 L HN 0.649 nan 8.230 nan 0.000 0.430 1297 D N 1.504 122.116 120.400 0.354 0.000 2.360 1297 D HA 0.202 4.842 4.640 0.001 0.000 0.242 1297 D C -0.168 176.378 176.300 0.410 0.000 1.184 1297 D CA 0.133 54.374 54.000 0.401 0.000 0.930 1297 D CB 1.412 42.434 40.800 0.369 0.000 1.161 1297 D HN 0.457 nan 8.370 nan 0.000 0.447 1298 S N 0.452 116.276 115.700 0.207 0.000 2.525 1298 S HA 0.524 4.994 4.470 0.001 0.000 0.290 1298 S C -2.667 171.955 174.600 0.037 0.000 1.152 1298 S CA -1.440 56.752 58.200 -0.013 0.000 1.072 1298 S CB 1.174 63.966 63.200 -0.679 0.000 1.027 1298 S HN 0.148 nan 8.310 nan 0.000 0.500 1299 P HA 0.280 nan 4.420 nan 0.000 0.284 1299 P C -1.144 176.249 177.300 0.156 0.000 1.253 1299 P CA -0.578 62.566 63.100 0.072 0.000 0.800 1299 P CB 0.986 32.678 31.700 -0.014 0.000 0.961 1300 A N 2.840 125.799 122.820 0.232 0.000 2.981 1300 A HA 0.339 4.660 4.320 0.001 0.000 0.280 1300 A C 0.981 178.541 177.584 -0.040 0.000 1.743 1300 A CA -0.078 51.987 52.037 0.046 0.000 1.430 1300 A CB -1.462 17.398 19.000 -0.233 0.000 1.085 1300 A HN 0.606 nan 8.150 nan 0.000 0.597 1301 T N -0.867 113.666 114.554 -0.035 0.000 2.788 1301 T HA 0.384 4.734 4.350 0.001 0.000 0.280 1301 T C -1.725 172.896 174.700 -0.132 0.000 0.984 1301 T CA -1.501 60.565 62.100 -0.057 0.000 0.972 1301 T CB 0.449 69.288 68.868 -0.049 0.000 1.039 1301 T HN 0.144 nan 8.240 nan 0.000 0.530 1302 P HA -0.126 nan 4.420 nan 0.000 0.216 1302 P C 1.504 178.372 177.300 -0.719 0.000 1.150 1302 P CA 1.212 64.206 63.100 -0.176 0.000 0.843 1302 P CB 0.024 31.777 31.700 0.088 0.000 0.787 1303 E N 0.274 119.823 120.200 -1.085 0.000 2.070 1303 E HA -0.251 4.099 4.350 0.001 0.000 0.197 1303 E C 1.710 177.917 176.600 -0.655 0.000 1.004 1303 E CA 1.535 57.066 56.400 -1.448 0.000 0.805 1303 E CB -0.147 29.154 29.700 -0.664 0.000 0.744 1303 E HN 0.184 nan 8.360 nan 0.000 0.451 1304 K N -0.140 120.062 120.400 -0.331 0.000 2.116 1304 K HA -0.017 4.304 4.320 0.001 0.000 0.203 1304 K C 2.274 178.805 176.600 -0.116 0.000 1.052 1304 K CA 0.912 57.115 56.287 -0.140 0.000 0.952 1304 K CB 0.009 32.491 32.500 -0.029 0.000 0.729 1304 K HN 0.227 nan 8.250 nan 0.000 0.446 1305 I N 0.826 121.307 120.570 -0.150 0.000 2.142 1305 I HA -0.268 3.902 4.170 0.001 0.000 0.240 1305 I C 2.592 178.670 176.117 -0.066 0.000 1.078 1305 I CA 1.007 62.249 61.300 -0.097 0.000 1.343 1305 I CB -0.187 37.755 38.000 -0.096 0.000 1.046 1305 I HN 0.046 nan 8.210 nan 0.000 0.405 1306 R N 1.758 122.205 120.500 -0.087 0.000 2.080 1306 R HA -0.184 4.156 4.340 0.001 0.000 0.236 1306 R C 1.918 178.236 176.300 0.029 0.000 1.137 1306 R CA 1.953 58.070 56.100 0.029 0.000 0.943 1306 R CB -0.668 29.749 30.300 0.196 0.000 0.846 1306 R HN 0.302 nan 8.270 nan 0.000 0.431 1307 N N 0.081 118.762 118.700 -0.031 0.000 2.309 1307 N HA -0.072 4.668 4.740 0.001 0.000 0.182 1307 N C 1.265 176.770 175.510 -0.008 0.000 1.018 1307 N CA 1.377 54.430 53.050 0.006 0.000 0.876 1307 N CB -0.272 38.210 38.487 -0.008 0.000 0.972 1307 N HN 0.404 nan 8.380 nan 0.000 0.434 1308 A N -0.197 122.602 122.820 -0.034 0.000 2.067 1308 A HA 0.002 4.323 4.320 0.001 0.000 0.217 1308 A C 1.185 178.682 177.584 -0.145 0.000 1.156 1308 A CA 0.254 52.235 52.037 -0.092 0.000 0.683 1308 A CB -0.280 18.683 19.000 -0.063 0.000 0.808 1308 A HN 0.329 nan 8.150 nan 0.000 0.455 1309 C N 2.002 121.272 119.300 -0.051 0.000 3.183 1309 C HA 0.370 4.831 4.460 0.001 0.000 0.545 1309 C C 0.666 175.683 174.990 0.045 0.000 1.044 1309 C CA -1.027 57.992 59.018 0.003 0.000 1.117 1309 C CB -2.393 25.398 27.740 0.085 0.000 1.393 1309 C HN 0.308 nan 8.230 nan 0.000 0.611 1310 V N 4.354 124.261 119.914 -0.013 0.000 2.540 1310 V HA 0.246 4.367 4.120 0.001 0.000 0.297 1310 V C 0.311 176.425 176.094 0.033 0.000 1.024 1310 V CA 0.898 63.199 62.300 0.002 0.000 1.105 1310 V CB 0.351 32.153 31.823 -0.035 0.000 0.938 1310 V HN 0.876 nan 8.190 nan 0.000 0.482 1311 D N 3.042 123.451 120.400 0.015 0.000 2.946 1311 D HA 0.191 4.832 4.640 0.001 0.000 0.337 1311 D C 0.562 176.753 176.300 -0.181 0.000 1.332 1311 D CA -0.461 53.505 54.000 -0.057 0.000 0.935 1311 D CB 0.699 41.502 40.800 0.005 0.000 1.440 1311 D HN 0.341 nan 8.370 nan 0.000 0.540 1312 K N -0.469 119.679 120.400 -0.420 0.000 2.362 1312 K HA 0.028 4.349 4.320 0.001 0.000 0.200 1312 K C 1.144 177.388 176.600 -0.592 0.000 1.046 1312 K CA 1.097 57.053 56.287 -0.553 0.000 0.952 1312 K CB -0.488 31.579 32.500 -0.721 0.000 0.753 1312 K HN 0.285 nan 8.250 nan 0.000 0.466 1313 F N 2.231 122.085 119.950 -0.161 0.000 2.274 1313 F HA -0.040 4.488 4.527 0.001 0.000 0.288 1313 F C 2.927 178.668 175.800 -0.098 0.000 1.069 1313 F CA 0.963 58.871 58.000 -0.153 0.000 1.343 1313 F CB -0.874 38.008 39.000 -0.197 0.000 1.089 1313 F HN 0.096 nan 8.300 nan 0.000 0.517 1314 T N -2.093 112.526 114.554 0.109 0.000 2.665 1314 T HA -0.235 4.116 4.350 0.001 0.000 0.268 1314 T C 1.917 176.621 174.700 0.007 0.000 1.035 1314 T CA 2.131 64.262 62.100 0.052 0.000 1.151 1314 T CB -1.288 67.609 68.868 0.049 0.000 0.862 1314 T HN 0.203 nan 8.240 nan 0.000 0.438 1315 T N 2.507 117.043 114.554 -0.031 0.000 2.624 1315 T HA -0.047 4.304 4.350 0.001 0.000 0.268 1315 T C 1.866 176.540 174.700 -0.044 0.000 1.041 1315 T CA 1.766 63.837 62.100 -0.049 0.000 1.159 1315 T CB -0.701 68.117 68.868 -0.083 0.000 0.863 1315 T HN 0.332 nan 8.240 nan 0.000 0.434 1316 L N 0.721 121.913 121.223 -0.051 0.000 2.353 1316 L HA -0.062 4.278 4.340 0.001 0.000 0.220 1316 L C 1.820 178.676 176.870 -0.022 0.000 1.133 1316 L CA 0.716 55.534 54.840 -0.037 0.000 0.798 1316 L CB -0.340 41.698 42.059 -0.035 0.000 0.922 1316 L HN 0.534 nan 8.230 nan 0.000 0.445 1317 C N -4.377 114.917 119.300 -0.011 0.000 3.240 1317 C HA 0.401 4.862 4.460 0.001 0.000 0.271 1317 C C 0.969 175.955 174.990 -0.007 0.000 1.534 1317 C CA -1.206 57.803 59.018 -0.014 0.000 1.796 1317 C CB -1.380 26.345 27.740 -0.025 0.000 2.892 1317 C HN 0.061 nan 8.230 nan 0.000 0.566 1318 V N 2.955 122.868 119.914 -0.003 0.000 3.367 1318 V HA 0.145 4.266 4.120 0.001 0.000 0.304 1318 V C 0.969 177.064 176.094 0.000 0.000 1.131 1318 V CA 1.481 63.782 62.300 0.003 0.000 1.233 1318 V CB 0.675 32.498 31.823 0.000 0.000 1.021 1318 V HN 0.757 nan 8.190 nan 0.000 0.497 1319 T N 4.363 118.920 114.554 0.005 0.000 2.334 1319 T HA 0.086 4.436 4.350 0.001 0.000 0.575 1319 T C 0.467 175.167 174.700 -0.000 0.000 1.026 1319 T CA 1.122 63.225 62.100 0.004 0.000 3.786 1319 T CB -1.792 67.080 68.868 0.007 0.000 0.850 1319 T HN 2.211 nan 8.240 nan 0.000 0.237 1327 P HA 0.028 nan 4.420 nan 0.000 0.268 1327 P C 0.203 177.586 177.300 0.139 0.000 1.204 1327 P CA -0.288 62.870 63.100 0.096 0.000 0.768 1327 P CB 0.455 32.197 31.700 0.070 0.000 0.842 1328 W N 3.581 124.878 121.300 -0.006 0.000 2.275 1328 W HA -0.295 4.366 4.660 0.001 0.000 0.321 1328 W C 0.985 177.501 176.519 -0.005 0.000 1.269 1328 W CA 2.783 60.125 57.345 -0.005 0.000 1.274 1328 W CB -0.236 29.221 29.460 -0.004 0.000 1.141 1328 W HN 0.548 nan 8.180 nan 0.000 0.493 1329 S N -1.556 114.064 115.700 -0.134 0.000 4.709 1329 S HA 0.003 4.473 4.470 0.001 0.000 0.038 1329 S C -1.220 173.398 174.600 0.030 0.000 0.865 1329 S CA -0.290 57.993 58.200 0.139 0.000 0.894 1329 S CB -1.865 61.530 63.200 0.325 0.000 0.319 1329 S HN 0.134 nan 8.310 nan 0.000 0.806 1330 L N 3.502 124.694 121.223 -0.052 0.000 2.372 1330 L HA 0.635 4.975 4.340 0.001 0.000 0.274 1330 L C 0.114 176.963 176.870 -0.035 0.000 0.988 1330 L CA -0.355 54.466 54.840 -0.032 0.000 0.833 1330 L CB 1.372 43.410 42.059 -0.036 0.000 1.236 1330 L HN 0.446 nan 8.230 nan 0.000 0.410 1331 R N 4.580 125.073 120.500 -0.012 0.000 2.694 1331 R HA 0.625 4.966 4.340 0.001 0.000 0.268 1331 R C -0.816 175.473 176.300 -0.018 0.000 1.061 1331 R CA 0.113 56.206 56.100 -0.011 0.000 1.133 1331 R CB 0.805 31.107 30.300 0.003 0.000 1.020 1331 R HN 0.578 nan 8.270 nan 0.000 0.475 1332 V N 0.000 119.903 119.914 -0.018 0.000 2.409 1332 V HA 0.000 4.121 4.120 0.001 0.000 0.244 1332 V CA 0.000 62.289 62.300 -0.018 0.000 1.235 1332 V CB 0.000 31.814 31.823 -0.015 0.000 1.184 1332 V HN 0.000 nan 8.190 nan 0.000 0.556