REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1v97_1_B 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 VLKKLGXXXX XXXXKLDPTY TSATLLFQKH DATA SEQUENCE PPANIQLFQE VPNGQSKEDT VGRPLPHLAA AMQASGEAVY CDDIPRYENE DATA SEQUENCE LFLRLVTSTR AHAKIKSIDV SEAQKVPGFV CFLSADDIPG SNETGLFNDE DATA SEQUENCE TVFAKDTVTC VGHIIGAVVA DTPEHAERAA HVVKVTYEDL PAIITIEDAI DATA SEQUENCE KNNSFYGSEL KIEKGDLKKG FSEADNVVSG ELYIGGQDHF YLETHCTIAI DATA SEQUENCE PKGEEGEMEL FVSTQNAMKT QSFVAKMLGV PVNRILVRVK RMGGGFGGKE DATA SEQUENCE TRSTLVSVAV ALAAYKTGHP VRCMLDRNED MLITGGRHPF LARYKVGFMK DATA SEQUENCE TGTIVALEVD HYSNAGNSRD LSHSIMERAL FHMDNCYKIP NIRGTGRLCK DATA SEQUENCE TNLSSNTAFR GFGGPQALFI AENWMSEVAV TCGLPAEEVR WKNMYKEGDL DATA SEQUENCE THFNQRLEGF SVPRCWDECL KSSQYYARKS EVDKFNKENC WKKRGLCIIP DATA SEQUENCE TKFGISFTVP FLNQAGALIH VYTDGSVLVS HGGTEMGQGL HTKMVQVASK DATA SEQUENCE ALKIPISKIY ISETSTNTVP NSSPTAASVS TDIYGQAVYE ACQTILKRLE DATA SEQUENCE PFKKKNPDGS WEDWVMAAYQ DRVSLSTTGF YRTPNLGYSF ETNSGNAFHY DATA SEQUENCE FTYGVACSEV EIDCLTGDHK NLRTDIVMDV GSSLNPAIDI GQVEGAFVQG DATA SEQUENCE LGLFTLEELH YSPEGSLHTR GPSTYKIPAF GSIPTEFRVS LLRDCPNKKA DATA SEQUENCE IYASKAVGEP PLFLGASVFF AIKDAIRAAR AQHTNNNTKE LFRLDSPATP DATA SEQUENCE EKIRNACVDK FTTLCVTGAP GNCKPWSLRV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.684 177.584 0.167 0.000 1.274 3 A CA 0.000 52.099 52.037 0.103 0.000 0.836 3 A CB 0.000 19.044 19.000 0.073 0.000 0.831 4 D N 0.334 120.828 120.400 0.158 0.000 11.055 4 D HA -0.146 4.494 4.640 -0.000 0.000 0.361 4 D C -0.014 176.459 176.300 0.289 0.000 3.064 4 D CA 1.185 55.306 54.000 0.201 0.000 2.586 4 D CB 0.397 41.295 40.800 0.164 0.000 1.099 4 D HN 0.378 nan 8.370 nan 0.000 0.924 5 E N 0.512 120.859 120.200 0.246 0.000 2.188 5 E HA 0.074 4.424 4.350 -0.000 0.000 0.243 5 E C -0.261 176.572 176.600 0.388 0.000 1.269 5 E CA 0.197 56.751 56.400 0.256 0.000 0.979 5 E CB -0.350 29.455 29.700 0.176 0.000 1.076 5 E HN 0.265 nan 8.360 nan 0.000 0.452 6 L N 3.686 125.078 121.223 0.282 0.000 2.296 6 L HA 0.287 4.627 4.340 -0.000 0.000 0.286 6 L C -0.937 176.134 176.870 0.335 0.000 1.023 6 L CA -0.735 54.278 54.840 0.288 0.000 0.812 6 L CB 1.727 43.690 42.059 -0.160 0.000 1.223 6 L HN -0.023 nan 8.230 nan 0.000 0.421 7 V N 6.984 127.205 119.914 0.511 0.000 2.444 7 V HA 0.629 4.749 4.120 -0.000 0.000 0.294 7 V C -0.370 175.882 176.094 0.264 0.000 1.022 7 V CA -0.406 62.028 62.300 0.223 0.000 0.850 7 V CB 0.867 32.816 31.823 0.210 0.000 0.992 7 V HN 0.746 nan 8.190 nan 0.000 0.426 8 F N 2.639 122.565 119.950 -0.040 0.000 2.789 8 F HA 0.899 5.426 4.527 -0.000 0.000 0.319 8 F C -1.868 173.892 175.800 -0.066 0.000 1.168 8 F CA -1.414 56.625 58.000 0.066 0.000 0.934 8 F CB 1.484 40.510 39.000 0.044 0.000 1.375 8 F HN 0.226 nan 8.300 nan 0.000 0.480 9 F N 0.883 120.874 119.950 0.068 0.000 2.546 9 F HA 0.750 5.277 4.527 -0.000 0.000 0.320 9 F C -0.673 175.157 175.800 0.051 0.000 1.076 9 F CA -1.340 56.618 58.000 -0.069 0.000 0.928 9 F CB 2.304 41.238 39.000 -0.111 0.000 1.189 9 F HN 0.372 nan 8.300 nan 0.000 0.465 10 V N 2.946 122.935 119.914 0.124 0.000 2.482 10 V HA 0.303 4.423 4.120 -0.000 0.000 0.295 10 V C -0.594 175.545 176.094 0.076 0.000 1.026 10 V CA -1.329 61.047 62.300 0.127 0.000 0.856 10 V CB 1.367 33.257 31.823 0.112 0.000 1.001 10 V HN 0.817 nan 8.190 nan 0.000 0.424 11 N N 4.032 122.772 118.700 0.068 0.000 2.727 11 N HA -0.218 4.522 4.740 -0.000 0.000 0.249 11 N C 1.236 176.772 175.510 0.043 0.000 1.048 11 N CA 1.599 54.668 53.050 0.031 0.000 0.714 11 N CB -1.075 37.415 38.487 0.005 0.000 0.959 11 N HN 1.576 nan 8.380 nan 0.000 0.544 12 G N -1.093 107.753 108.800 0.077 0.000 2.205 12 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.261 12 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.261 12 G C 0.057 175.067 174.900 0.183 0.000 0.980 12 G CA 0.938 46.093 45.100 0.091 0.000 0.632 12 G HN 0.687 nan 8.290 nan 0.000 0.533 13 K N 0.970 121.439 120.400 0.114 0.000 2.183 13 K HA 0.492 4.812 4.320 -0.000 0.000 0.274 13 K C 0.463 176.937 176.600 -0.209 0.000 1.009 13 K CA -0.754 55.535 56.287 0.003 0.000 0.888 13 K CB 0.607 33.075 32.500 -0.053 0.000 1.078 13 K HN 0.160 nan 8.250 nan 0.000 0.459 14 K N 3.082 123.200 120.400 -0.470 0.000 2.350 14 K HA 0.116 4.436 4.320 -0.000 0.000 0.279 14 K C -1.146 175.026 176.600 -0.714 0.000 1.027 14 K CA -0.366 55.233 56.287 -1.146 0.000 0.969 14 K CB 0.776 32.740 32.500 -0.893 0.000 0.954 14 K HN 0.302 nan 8.250 nan 0.000 0.474 15 V N 5.106 124.517 119.914 -0.838 0.000 2.444 15 V HA 0.266 4.386 4.120 -0.000 0.000 0.294 15 V C -0.770 175.004 176.094 -0.532 0.000 1.022 15 V CA -0.910 60.986 62.300 -0.672 0.000 0.850 15 V CB 1.810 32.999 31.823 -1.058 0.000 0.992 15 V HN 0.523 nan 8.190 nan 0.000 0.426 16 V N 3.953 123.695 119.914 -0.287 0.000 2.326 16 V HA 0.420 4.540 4.120 -0.000 0.000 0.281 16 V C -0.228 175.835 176.094 -0.052 0.000 1.015 16 V CA -0.591 61.627 62.300 -0.137 0.000 0.823 16 V CB 1.555 33.326 31.823 -0.086 0.000 1.009 16 V HN 0.902 nan 8.190 nan 0.000 0.436 17 E N 4.038 124.234 120.200 -0.007 0.000 2.035 17 E HA 0.324 4.674 4.350 -0.000 0.000 0.271 17 E C 0.783 177.418 176.600 0.058 0.000 0.953 17 E CA -0.153 56.275 56.400 0.047 0.000 0.777 17 E CB 1.024 30.745 29.700 0.035 0.000 1.104 17 E HN 0.519 nan 8.360 nan 0.000 0.408 18 K N 2.771 123.207 120.400 0.061 0.000 2.365 18 K HA 0.028 4.348 4.320 -0.000 0.000 0.199 18 K C 0.576 177.226 176.600 0.083 0.000 1.045 18 K CA 0.505 56.837 56.287 0.075 0.000 0.962 18 K CB 0.254 32.788 32.500 0.057 0.000 0.759 18 K HN 0.413 nan 8.250 nan 0.000 0.469 19 N N 0.089 118.830 118.700 0.068 0.000 1.862 19 N HA 0.265 5.005 4.740 -0.000 0.000 0.179 19 N C -0.612 174.917 175.510 0.033 0.000 1.263 19 N CA 0.496 53.586 53.050 0.066 0.000 1.036 19 N CB 0.103 38.625 38.487 0.059 0.000 1.292 19 N HN -0.015 nan 8.380 nan 0.000 0.382 20 A N 1.066 123.889 122.820 0.004 0.000 2.433 20 A HA -0.065 4.255 4.320 -0.000 0.000 0.685 20 A C -1.110 176.413 177.584 -0.102 0.000 0.140 20 A CA -0.344 51.630 52.037 -0.106 0.000 0.034 20 A CB -1.410 17.403 19.000 -0.312 0.000 3.970 20 A HN 0.481 nan 8.150 nan 0.000 0.547 21 D N 4.175 124.527 120.400 -0.081 0.000 2.232 21 D HA 0.520 5.160 4.640 -0.000 0.000 0.242 21 D C -1.332 174.905 176.300 -0.105 0.000 1.093 21 D CA -1.787 52.188 54.000 -0.041 0.000 0.845 21 D CB 1.410 42.208 40.800 -0.004 0.000 1.124 21 D HN 0.143 nan 8.370 nan 0.000 0.467 22 P HA -0.122 nan 4.420 nan 0.000 0.220 22 P C 0.469 177.763 177.300 -0.011 0.000 1.144 22 P CA 1.108 64.176 63.100 -0.053 0.000 0.800 22 P CB 0.318 32.178 31.700 0.266 0.000 0.772 23 E N -1.847 118.365 120.200 0.020 0.000 2.478 23 E HA 0.018 4.368 4.350 -0.000 0.000 0.194 23 E C 0.095 176.686 176.600 -0.016 0.000 1.045 23 E CA 0.322 56.742 56.400 0.032 0.000 0.868 23 E CB -0.234 29.492 29.700 0.043 0.000 0.885 23 E HN 0.219 nan 8.360 nan 0.000 0.505 24 T N 2.318 116.835 114.554 -0.062 0.000 2.779 24 T HA 0.094 4.444 4.350 -0.000 0.000 0.296 24 T C 0.393 175.045 174.700 -0.081 0.000 0.938 24 T CA -0.182 61.886 62.100 -0.053 0.000 1.119 24 T CB 0.962 69.811 68.868 -0.031 0.000 0.891 24 T HN 0.141 nan 8.240 nan 0.000 0.526 25 T N 1.388 115.923 114.554 -0.031 0.000 2.874 25 T HA 0.341 4.691 4.350 -0.000 0.000 0.281 25 T C 1.355 176.045 174.700 -0.016 0.000 0.994 25 T CA -1.012 61.069 62.100 -0.031 0.000 1.015 25 T CB 0.789 69.663 68.868 0.010 0.000 1.028 25 T HN 0.259 nan 8.240 nan 0.000 0.523 26 L N 1.328 122.526 121.223 -0.041 0.000 2.083 26 L HA 0.072 4.412 4.340 -0.000 0.000 0.209 26 L C 2.163 179.075 176.870 0.071 0.000 1.083 26 L CA 1.544 56.375 54.840 -0.015 0.000 0.752 26 L CB -1.325 40.700 42.059 -0.056 0.000 0.899 26 L HN 0.779 nan 8.230 nan 0.000 0.433 27 L N 0.044 121.297 121.223 0.050 0.000 2.012 27 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 27 L C 2.508 179.413 176.870 0.058 0.000 1.073 27 L CA 2.230 57.103 54.840 0.054 0.000 0.748 27 L CB -1.193 40.895 42.059 0.049 0.000 0.891 27 L HN 0.285 nan 8.230 nan 0.000 0.431 28 A N -1.673 121.180 122.820 0.054 0.000 1.902 28 A HA -0.273 4.047 4.320 -0.000 0.000 0.217 28 A C 2.301 179.917 177.584 0.054 0.000 1.181 28 A CA 1.793 53.850 52.037 0.034 0.000 0.623 28 A CB -1.201 17.806 19.000 0.011 0.000 0.818 28 A HN 0.613 nan 8.150 nan 0.000 0.443 29 Y N 0.411 120.700 120.300 -0.018 0.000 2.145 29 Y HA -0.172 4.378 4.550 -0.000 0.000 0.286 29 Y C 2.096 178.009 175.900 0.023 0.000 1.145 29 Y CA 1.898 60.001 58.100 0.005 0.000 1.148 29 Y CB -0.262 38.215 38.460 0.028 0.000 0.981 29 Y HN 0.228 nan 8.280 nan 0.000 0.507 30 L N -0.492 120.829 121.223 0.164 0.000 2.012 30 L HA -0.272 4.068 4.340 -0.000 0.000 0.210 30 L C 2.562 179.431 176.870 -0.002 0.000 1.073 30 L CA 1.801 56.693 54.840 0.087 0.000 0.748 30 L CB -0.510 41.604 42.059 0.093 0.000 0.891 30 L HN 0.153 nan 8.230 nan 0.000 0.431 31 R N -0.417 120.084 120.500 0.002 0.000 2.073 31 R HA -0.059 4.281 4.340 -0.000 0.000 0.229 31 R C 2.389 178.668 176.300 -0.034 0.000 1.120 31 R CA 1.091 57.187 56.100 -0.008 0.000 0.967 31 R CB -0.138 30.172 30.300 0.017 0.000 0.862 31 R HN 0.360 nan 8.270 nan 0.000 0.436 32 R N -0.184 120.279 120.500 -0.062 0.000 2.156 32 R HA 0.046 4.386 4.340 -0.000 0.000 0.207 32 R C 1.949 178.160 176.300 -0.149 0.000 1.040 32 R CA 0.651 56.704 56.100 -0.078 0.000 1.013 32 R CB 0.094 30.349 30.300 -0.075 0.000 0.931 32 R HN -0.090 nan 8.270 nan 0.000 0.465 33 K N 0.890 121.121 120.400 -0.282 0.000 2.190 33 K HA 0.160 4.480 4.320 -0.000 0.000 0.202 33 K C 1.581 177.982 176.600 -0.333 0.000 1.045 33 K CA 0.778 56.817 56.287 -0.412 0.000 0.976 33 K CB 0.272 32.226 32.500 -0.910 0.000 0.849 33 K HN -0.001 nan 8.250 nan 0.000 0.468 34 L N -0.378 120.667 121.223 -0.297 0.000 2.567 34 L HA 0.260 4.600 4.340 -0.000 0.000 0.225 34 L C 0.777 177.591 176.870 -0.093 0.000 1.119 34 L CA 0.412 55.157 54.840 -0.157 0.000 0.871 34 L CB -0.109 41.908 42.059 -0.071 0.000 1.036 34 L HN 0.509 nan 8.230 nan 0.000 0.459 35 G N 1.422 110.169 108.800 -0.087 0.000 2.221 35 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.265 35 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.265 35 G C 0.071 174.950 174.900 -0.036 0.000 1.041 35 G CA -0.017 45.048 45.100 -0.057 0.000 0.807 35 G HN 0.287 nan 8.290 nan 0.000 0.502 36 L N 0.615 121.823 121.223 -0.024 0.000 2.321 36 L HA 0.382 4.722 4.340 -0.000 0.000 0.272 36 L C 1.532 178.401 176.870 -0.003 0.000 1.050 36 L CA -1.057 53.776 54.840 -0.011 0.000 0.893 36 L CB 0.730 42.788 42.059 -0.001 0.000 1.272 36 L HN 0.094 nan 8.230 nan 0.000 0.435 37 R N 1.775 122.276 120.500 0.002 0.000 2.319 37 R HA 0.086 4.426 4.340 -0.000 0.000 0.204 37 R C 1.620 177.925 176.300 0.008 0.000 0.954 37 R CA 0.529 56.638 56.100 0.015 0.000 1.066 37 R CB -0.271 30.050 30.300 0.035 0.000 0.991 37 R HN 0.690 nan 8.270 nan 0.000 0.486 38 G N 1.250 110.047 108.800 -0.004 0.000 2.422 38 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.218 38 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.218 38 G C 0.422 175.282 174.900 -0.067 0.000 1.146 38 G CA 0.405 45.494 45.100 -0.019 0.000 0.769 38 G HN 0.219 nan 8.290 nan 0.000 0.547 39 T N 2.365 116.887 114.554 -0.053 0.000 2.814 39 T HA 0.415 4.765 4.350 -0.000 0.000 0.297 39 T C 0.005 174.643 174.700 -0.104 0.000 0.956 39 T CA -0.077 61.983 62.100 -0.067 0.000 1.123 39 T CB 1.350 70.205 68.868 -0.021 0.000 0.902 39 T HN 0.034 nan 8.240 nan 0.000 0.528 40 K N 1.949 122.235 120.400 -0.189 0.000 2.258 40 K HA 0.562 4.882 4.320 -0.000 0.000 0.236 40 K C -0.703 175.858 176.600 -0.064 0.000 1.008 40 K CA -1.156 54.981 56.287 -0.250 0.000 0.869 40 K CB 1.798 33.779 32.500 -0.864 0.000 1.171 40 K HN 0.380 nan 8.250 nan 0.000 0.447 41 L N 0.296 121.561 121.223 0.069 0.000 2.272 41 L HA 0.491 4.831 4.340 -0.000 0.000 0.289 41 L C 0.620 177.650 176.870 0.267 0.000 1.032 41 L CA 0.501 55.432 54.840 0.152 0.000 0.810 41 L CB 1.238 43.387 42.059 0.149 0.000 1.205 41 L HN 0.839 nan 8.230 nan 0.000 0.422 42 G N 2.093 111.034 108.800 0.236 0.000 2.815 42 G HA2 0.135 4.095 3.960 -0.000 0.000 0.215 42 G HA3 0.135 4.095 3.960 -0.000 0.000 0.215 42 G C 0.659 175.679 174.900 0.199 0.000 1.054 42 G CA 0.670 45.931 45.100 0.268 0.000 0.832 42 G HN 0.918 nan 8.290 nan 0.000 0.557 43 C N -3.674 115.757 119.300 0.219 0.000 5.133 43 C HA 0.504 4.964 4.460 -0.000 0.000 0.475 43 C C 1.939 177.108 174.990 0.299 0.000 1.286 43 C CA 0.659 59.827 59.018 0.250 0.000 2.394 43 C CB 0.053 27.973 27.740 0.299 0.000 3.130 43 C HN 1.552 nan 8.230 nan 0.000 0.490 44 G N 1.653 110.606 108.800 0.256 0.000 2.203 44 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.263 44 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.263 44 G C 0.344 175.470 174.900 0.376 0.000 1.012 44 G CA 1.114 46.374 45.100 0.267 0.000 0.749 44 G HN 0.847 nan 8.290 nan 0.000 0.512 45 E N -1.208 119.170 120.200 0.296 0.000 2.601 45 E HA 0.393 4.743 4.350 -0.000 0.000 0.219 45 E C 1.864 178.551 176.600 0.146 0.000 0.964 45 E CA 0.563 57.084 56.400 0.201 0.000 1.050 45 E CB -0.002 29.751 29.700 0.089 0.000 1.068 45 E HN 1.288 nan 8.360 nan 0.000 0.496 46 G N 0.332 109.231 108.800 0.164 0.000 2.179 46 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.260 46 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.260 46 G C 0.806 175.789 174.900 0.139 0.000 0.977 46 G CA 0.301 45.486 45.100 0.142 0.000 0.641 46 G HN 0.451 nan 8.290 nan 0.000 0.533 47 G N -0.559 108.334 108.800 0.155 0.000 2.719 47 G HA2 0.229 4.189 3.960 -0.000 0.000 0.211 47 G HA3 0.229 4.189 3.960 -0.000 0.000 0.211 47 G C 1.852 176.871 174.900 0.197 0.000 1.140 47 G CA 1.851 47.044 45.100 0.154 0.000 0.790 47 G HN 1.468 nan 8.290 nan 0.000 0.529 48 C N -1.533 117.914 119.300 0.245 0.000 2.611 48 C HA 0.536 4.996 4.460 -0.000 0.000 0.282 48 C C 2.353 177.499 174.990 0.259 0.000 1.321 48 C CA 0.712 59.904 59.018 0.291 0.000 1.747 48 C CB -0.229 27.736 27.740 0.375 0.000 2.124 48 C HN 1.094 nan 8.230 nan 0.000 0.531 49 G N 0.831 109.758 108.800 0.211 0.000 2.189 49 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.267 49 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.267 49 G C 1.226 176.219 174.900 0.157 0.000 0.975 49 G CA 0.780 45.991 45.100 0.185 0.000 0.644 49 G HN 1.495 nan 8.290 nan 0.000 0.537 50 A N -0.221 122.687 122.820 0.147 0.000 2.125 50 A HA 0.137 4.457 4.320 -0.000 0.000 0.219 50 A C 2.457 180.042 177.584 0.002 0.000 1.156 50 A CA 2.342 54.414 52.037 0.059 0.000 0.671 50 A CB -0.821 18.203 19.000 0.041 0.000 0.794 50 A HN 1.827 nan 8.150 nan 0.000 0.459 51 C N -1.925 117.405 119.300 0.049 0.000 2.693 51 C HA 0.358 4.818 4.460 -0.000 0.000 0.286 51 C C 0.810 175.826 174.990 0.045 0.000 1.277 51 C CA -0.454 58.584 59.018 0.035 0.000 1.705 51 C CB -2.122 25.655 27.740 0.062 0.000 1.879 51 C HN 0.316 nan 8.230 nan 0.000 0.607 52 T N 2.830 117.419 114.554 0.058 0.000 2.928 52 T HA 0.416 4.766 4.350 -0.000 0.000 0.305 52 T C 0.298 175.017 174.700 0.032 0.000 1.035 52 T CA 0.822 62.958 62.100 0.060 0.000 1.145 52 T CB 0.722 69.640 68.868 0.083 0.000 0.963 52 T HN 0.951 nan 8.240 nan 0.000 0.545 53 V N 1.109 121.037 119.914 0.024 0.000 3.160 53 V HA 0.762 4.882 4.120 -0.000 0.000 0.310 53 V C -0.691 175.395 176.094 -0.013 0.000 1.181 53 V CA -1.453 60.847 62.300 0.000 0.000 1.047 53 V CB 2.351 34.174 31.823 -0.001 0.000 1.068 53 V HN 0.862 nan 8.190 nan 0.000 0.441 54 M N 2.150 121.735 119.600 -0.025 0.000 2.404 54 M HA 0.710 5.190 4.480 -0.000 0.000 0.338 54 M C -1.833 174.396 176.300 -0.120 0.000 1.150 54 M CA -0.696 54.574 55.300 -0.050 0.000 1.016 54 M CB 1.617 34.246 32.600 0.048 0.000 1.672 54 M HN 0.756 nan 8.290 nan 0.000 0.448 55 L N 2.796 123.817 121.223 -0.338 0.000 2.362 55 L HA 0.637 4.977 4.340 -0.000 0.000 0.271 55 L C -0.747 175.880 176.870 -0.405 0.000 1.002 55 L CA -0.620 53.961 54.840 -0.431 0.000 0.818 55 L CB 2.329 43.936 42.059 -0.754 0.000 1.298 55 L HN 0.689 nan 8.230 nan 0.000 0.420 56 S N 1.902 117.569 115.700 -0.056 0.000 2.536 56 S HA 0.756 5.226 4.470 -0.000 0.000 0.287 56 S C -1.140 173.616 174.600 0.259 0.000 1.101 56 S CA -0.885 57.387 58.200 0.120 0.000 0.950 56 S CB 2.370 65.826 63.200 0.428 0.000 1.056 56 S HN 0.668 nan 8.310 nan 0.000 0.481 57 K N 0.594 121.068 120.400 0.124 0.000 2.597 57 K HA 0.390 4.710 4.320 -0.000 0.000 0.282 57 K C -1.983 174.574 176.600 -0.072 0.000 0.975 57 K CA -0.962 55.447 56.287 0.204 0.000 0.867 57 K CB 0.910 33.559 32.500 0.249 0.000 1.465 57 K HN 0.508 nan 8.250 nan 0.000 0.417 58 Y N 1.819 122.055 120.300 -0.107 0.000 2.436 58 Y HA 0.222 4.772 4.550 -0.000 0.000 0.343 58 Y C -0.795 175.049 175.900 -0.093 0.000 1.008 58 Y CA -0.189 57.790 58.100 -0.201 0.000 1.241 58 Y CB 0.963 39.349 38.460 -0.123 0.000 1.153 58 Y HN 0.798 nan 8.280 nan 0.000 0.521 59 D N 4.926 124.903 120.400 -0.705 0.000 2.365 59 D HA 0.145 4.785 4.640 -0.000 0.000 0.237 59 D C 1.149 176.954 176.300 -0.825 0.000 1.190 59 D CA -0.247 53.433 54.000 -0.534 0.000 0.867 59 D CB 0.716 41.314 40.800 -0.336 0.000 1.050 59 D HN 0.609 nan 8.370 nan 0.000 0.491 60 R N 3.472 123.646 120.500 -0.544 0.000 2.120 60 R HA -0.049 4.291 4.340 -0.000 0.000 0.234 60 R C 1.730 177.917 176.300 -0.189 0.000 1.123 60 R CA 1.221 57.151 56.100 -0.284 0.000 0.975 60 R CB -0.510 29.795 30.300 0.008 0.000 0.866 60 R HN 0.653 nan 8.270 nan 0.000 0.446 61 L N -0.269 120.852 121.223 -0.170 0.000 2.201 61 L HA -0.064 4.276 4.340 -0.000 0.000 0.212 61 L C 1.946 178.738 176.870 -0.130 0.000 1.105 61 L CA 1.566 56.337 54.840 -0.114 0.000 0.775 61 L CB -0.034 41.972 42.059 -0.089 0.000 0.913 61 L HN 0.371 nan 8.230 nan 0.000 0.440 62 Q N -0.985 118.697 119.800 -0.197 0.000 2.246 62 Q HA -0.058 4.282 4.340 -0.000 0.000 0.222 62 Q C -0.179 175.704 176.000 -0.195 0.000 0.851 62 Q CA 0.019 55.718 55.803 -0.174 0.000 0.945 62 Q CB 0.607 29.239 28.738 -0.177 0.000 1.122 62 Q HN 0.340 nan 8.270 nan 0.000 0.508 63 D N 1.416 121.646 120.400 -0.285 0.000 2.737 63 D HA -0.205 4.435 4.640 -0.000 0.000 0.238 63 D C -1.020 175.197 176.300 -0.137 0.000 1.157 63 D CA 1.376 55.267 54.000 -0.181 0.000 0.694 63 D CB -0.659 40.142 40.800 0.002 0.000 1.021 63 D HN 0.452 nan 8.370 nan 0.000 0.420 64 K N 0.441 120.615 120.400 -0.376 0.000 2.685 64 K HA 0.264 4.584 4.320 -0.000 0.000 0.290 64 K C -1.014 175.409 176.600 -0.294 0.000 1.018 64 K CA -0.893 55.285 56.287 -0.182 0.000 0.860 64 K CB 0.778 33.187 32.500 -0.153 0.000 1.498 64 K HN -0.058 nan 8.250 nan 0.000 0.390 65 I N 4.658 125.071 120.570 -0.260 0.000 2.371 65 I HA 0.267 4.437 4.170 -0.000 0.000 0.290 65 I C 0.541 176.358 176.117 -0.500 0.000 1.028 65 I CA -0.335 60.674 61.300 -0.486 0.000 1.345 65 I CB 0.139 37.737 38.000 -0.670 0.000 1.407 65 I HN 0.502 nan 8.210 nan 0.000 0.501 66 I N 4.440 124.731 120.570 -0.464 0.000 2.648 66 I HA 0.557 4.727 4.170 -0.000 0.000 0.304 66 I C -0.737 175.138 176.117 -0.404 0.000 1.009 66 I CA -0.575 60.525 61.300 -0.335 0.000 1.114 66 I CB 2.259 40.204 38.000 -0.090 0.000 1.293 66 I HN 0.376 nan 8.210 nan 0.000 0.449 67 H N 5.453 124.565 119.070 0.071 0.000 2.589 67 H HA 0.622 5.178 4.556 -0.000 0.000 0.351 67 H C -1.287 174.119 175.328 0.130 0.000 1.074 67 H CA -0.404 55.658 56.048 0.024 0.000 1.203 67 H CB 1.946 31.685 29.762 -0.039 0.000 1.558 67 H HN 0.734 nan 8.280 nan 0.000 0.522 68 F N -0.433 119.572 119.950 0.092 0.000 2.668 68 F HA 0.539 5.066 4.527 -0.000 0.000 0.309 68 F C -0.433 175.391 175.800 0.040 0.000 1.117 68 F CA -1.185 56.834 58.000 0.031 0.000 0.951 68 F CB 1.092 40.093 39.000 0.002 0.000 1.323 68 F HN 0.374 nan 8.300 nan 0.000 0.451 69 S N 1.463 117.268 115.700 0.175 0.000 2.672 69 S HA 0.970 5.440 4.470 -0.000 0.000 0.276 69 S C -0.522 174.185 174.600 0.178 0.000 1.207 69 S CA -0.012 58.239 58.200 0.085 0.000 1.002 69 S CB 1.508 64.738 63.200 0.050 0.000 0.998 69 S HN 1.898 nan 8.310 nan 0.000 0.542 70 A N 1.095 123.980 122.820 0.108 0.000 2.608 70 A HA 0.588 4.908 4.320 -0.000 0.000 0.292 70 A C -1.346 176.295 177.584 0.095 0.000 1.066 70 A CA -1.046 51.073 52.037 0.137 0.000 0.676 70 A CB 0.792 19.896 19.000 0.172 0.000 1.277 70 A HN 0.780 nan 8.150 nan 0.000 0.413 71 N N 1.339 120.102 118.700 0.104 0.000 2.408 71 N HA 0.339 5.079 4.740 -0.000 0.000 0.257 71 N C 1.146 176.704 175.510 0.079 0.000 1.064 71 N CA 0.565 53.672 53.050 0.095 0.000 0.952 71 N CB 1.753 40.308 38.487 0.112 0.000 1.093 71 N HN 0.793 nan 8.380 nan 0.000 0.490 72 A N 1.828 124.685 122.820 0.062 0.000 2.019 72 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 72 A C 2.244 179.860 177.584 0.054 0.000 1.164 72 A CA 1.137 53.202 52.037 0.046 0.000 0.644 72 A CB -0.591 18.432 19.000 0.038 0.000 0.805 72 A HN 0.885 nan 8.150 nan 0.000 0.449 73 C N -2.221 117.124 119.300 0.076 0.000 2.456 73 C HA 0.303 4.763 4.460 -0.000 0.000 0.279 73 C C 1.925 176.972 174.990 0.095 0.000 1.427 73 C CA 0.642 59.712 59.018 0.087 0.000 1.778 73 C CB -1.414 26.396 27.740 0.117 0.000 1.842 73 C HN 0.450 nan 8.230 nan 0.000 0.531 74 L N 0.464 121.745 121.223 0.097 0.000 2.701 74 L HA 0.364 4.704 4.340 -0.000 0.000 0.238 74 L C 1.491 178.413 176.870 0.086 0.000 1.106 74 L CA 0.207 55.111 54.840 0.107 0.000 0.898 74 L CB -0.175 41.959 42.059 0.125 0.000 1.188 74 L HN 0.215 nan 8.230 nan 0.000 0.508 75 A N 1.676 124.531 122.820 0.058 0.000 2.350 75 A HA 0.473 4.793 4.320 -0.000 0.000 0.293 75 A C -2.408 175.153 177.584 -0.038 0.000 1.231 75 A CA -1.094 50.959 52.037 0.027 0.000 0.883 75 A CB -0.407 18.601 19.000 0.013 0.000 1.133 75 A HN -0.096 nan 8.150 nan 0.000 0.533 76 P HA 0.146 nan 4.420 nan 0.000 0.276 76 P C 1.150 178.245 177.300 -0.342 0.000 1.230 76 P CA -0.395 62.598 63.100 -0.178 0.000 0.776 76 P CB 0.645 32.248 31.700 -0.161 0.000 0.888 77 I N -0.334 119.970 120.570 -0.443 0.000 2.567 77 I HA -0.173 3.997 4.170 -0.000 0.000 0.257 77 I C 0.998 176.688 176.117 -0.713 0.000 1.184 77 I CA 1.345 62.269 61.300 -0.628 0.000 1.451 77 I CB -0.853 36.718 38.000 -0.716 0.000 1.089 77 I HN 0.152 nan 8.210 nan 0.000 0.441 78 C N 2.013 120.790 119.300 -0.872 0.000 2.511 78 C HA -0.003 4.457 4.460 -0.000 0.000 0.277 78 C C 2.631 177.229 174.990 -0.653 0.000 1.451 78 C CA 1.352 59.682 59.018 -1.146 0.000 1.735 78 C CB -1.911 24.631 27.740 -1.996 0.000 1.704 78 C HN 0.732 nan 8.230 nan 0.000 0.571 79 T N -2.997 111.343 114.554 -0.356 0.000 3.040 79 T HA 0.228 4.578 4.350 -0.000 0.000 0.250 79 T C 0.932 175.670 174.700 0.064 0.000 1.058 79 T CA 0.335 62.445 62.100 0.017 0.000 0.988 79 T CB -0.225 68.714 68.868 0.119 0.000 0.993 79 T HN 0.452 nan 8.240 nan 0.000 0.519 80 L N 0.951 122.114 121.223 -0.101 0.000 2.685 80 L HA 0.372 4.712 4.340 -0.000 0.000 0.233 80 L C 0.628 177.568 176.870 0.117 0.000 1.173 80 L CA -0.623 54.173 54.840 -0.073 0.000 0.961 80 L CB -0.779 41.013 42.059 -0.446 0.000 1.217 80 L HN 0.290 nan 8.230 nan 0.000 0.478 81 H N 1.070 120.256 119.070 0.193 0.000 3.070 81 H HA -0.021 4.535 4.556 0.000 0.000 0.313 81 H C 0.412 175.999 175.328 0.433 0.000 0.997 81 H CA 0.678 56.926 56.048 0.334 0.000 1.438 81 H CB -0.159 29.867 29.762 0.441 0.000 1.455 81 H HN 0.213 nan 8.280 nan 0.000 0.575 82 H N 1.364 120.405 119.070 -0.048 0.000 2.839 82 H HA -0.150 4.406 4.556 -0.000 0.000 0.298 82 H C -0.842 174.589 175.328 0.172 0.000 1.224 82 H CA 0.197 56.263 56.048 0.029 0.000 1.144 82 H CB -1.364 28.365 29.762 -0.055 0.000 1.372 82 H HN 0.191 nan 8.280 nan 0.000 0.408 83 V N 0.165 120.283 119.914 0.339 0.000 2.769 83 V HA 0.699 4.819 4.120 -0.000 0.000 0.312 83 V C 0.104 176.359 176.094 0.268 0.000 1.061 83 V CA -0.242 62.223 62.300 0.273 0.000 0.931 83 V CB 1.980 33.928 31.823 0.209 0.000 1.010 83 V HN 0.392 nan 8.190 nan 0.000 0.433 84 A N 3.916 126.852 122.820 0.193 0.000 2.271 84 A HA 0.773 5.093 4.320 -0.000 0.000 0.317 84 A C -0.627 177.041 177.584 0.141 0.000 1.245 84 A CA -0.427 51.700 52.037 0.150 0.000 0.857 84 A CB 0.897 19.874 19.000 -0.039 0.000 1.175 84 A HN 0.644 nan 8.150 nan 0.000 0.512 85 V N 2.399 122.417 119.914 0.173 0.000 2.481 85 V HA 0.549 4.669 4.120 -0.000 0.000 0.286 85 V C 0.303 176.444 176.094 0.078 0.000 1.042 85 V CA -0.155 62.209 62.300 0.107 0.000 0.928 85 V CB 1.679 33.590 31.823 0.147 0.000 0.986 85 V HN 0.891 nan 8.190 nan 0.000 0.462 86 T N 3.155 117.726 114.554 0.029 0.000 2.847 86 T HA 0.535 4.885 4.350 -0.000 0.000 0.291 86 T C 0.104 174.771 174.700 -0.054 0.000 0.998 86 T CA -0.497 61.594 62.100 -0.016 0.000 0.967 86 T CB 1.416 70.269 68.868 -0.025 0.000 0.954 86 T HN 0.949 nan 8.240 nan 0.000 0.441 87 T N -0.630 113.886 114.554 -0.063 0.000 2.922 87 T HA 0.475 4.825 4.350 -0.000 0.000 0.281 87 T C 1.564 176.189 174.700 -0.125 0.000 1.005 87 T CA -0.615 61.446 62.100 -0.066 0.000 0.982 87 T CB 1.057 69.909 68.868 -0.027 0.000 1.158 87 T HN 0.181 nan 8.240 nan 0.000 0.566 88 V N 1.414 121.267 119.914 -0.101 0.000 2.392 88 V HA -0.142 3.978 4.120 -0.000 0.000 0.249 88 V C 2.563 178.592 176.094 -0.108 0.000 1.059 88 V CA 2.482 64.712 62.300 -0.116 0.000 1.051 88 V CB -1.061 30.725 31.823 -0.061 0.000 0.658 88 V HN 0.957 nan 8.190 nan 0.000 0.455 89 E N 0.101 120.259 120.200 -0.070 0.000 2.478 89 E HA -0.041 4.309 4.350 -0.000 0.000 0.198 89 E C 1.966 178.526 176.600 -0.067 0.000 1.046 89 E CA 1.108 57.476 56.400 -0.053 0.000 0.870 89 E CB -0.583 29.099 29.700 -0.030 0.000 0.818 89 E HN 0.635 nan 8.360 nan 0.000 0.527 90 G N 2.072 110.811 108.800 -0.103 0.000 2.777 90 G HA2 0.037 3.997 3.960 -0.000 0.000 0.211 90 G HA3 0.037 3.997 3.960 -0.000 0.000 0.211 90 G C 1.610 176.417 174.900 -0.155 0.000 1.149 90 G CA 0.406 45.442 45.100 -0.107 0.000 0.785 90 G HN 0.439 nan 8.290 nan 0.000 0.536 91 I N -3.429 116.999 120.570 -0.235 0.000 4.057 91 I HA 0.584 4.754 4.170 -0.000 0.000 0.334 91 I C 0.662 176.753 176.117 -0.044 0.000 1.308 91 I CA 0.178 61.319 61.300 -0.265 0.000 1.125 91 I CB 0.780 38.339 38.000 -0.735 0.000 1.034 91 I HN 0.066 nan 8.210 nan 0.000 0.401 92 G N 0.884 109.666 108.800 -0.031 0.000 2.328 92 G HA2 0.430 4.390 3.960 -0.000 0.000 0.299 92 G HA3 0.430 4.390 3.960 -0.000 0.000 0.299 92 G C -1.334 173.573 174.900 0.013 0.000 1.435 92 G CA 0.024 45.141 45.100 0.028 0.000 0.865 92 G HN 0.564 nan 8.290 nan 0.000 0.601 93 S N -2.199 113.515 115.700 0.023 0.000 2.567 93 S HA 0.640 5.110 4.470 -0.000 0.000 0.270 93 S C 0.936 175.550 174.600 0.024 0.000 1.152 93 S CA 0.866 59.077 58.200 0.018 0.000 0.835 93 S CB 1.148 64.353 63.200 0.008 0.000 1.115 93 S HN 2.172 nan 8.310 nan 0.000 0.459 94 T N -0.716 113.852 114.554 0.024 0.000 3.072 94 T HA 0.095 4.445 4.350 -0.000 0.000 0.266 94 T C 1.140 175.851 174.700 0.018 0.000 1.127 94 T CA 0.788 62.903 62.100 0.026 0.000 1.107 94 T CB -0.500 68.386 68.868 0.031 0.000 0.910 94 T HN 0.649 nan 8.240 nan 0.000 0.513 95 K N 0.926 121.333 120.400 0.012 0.000 2.305 95 K HA 0.049 4.369 4.320 -0.000 0.000 0.199 95 K C 2.217 178.821 176.600 0.006 0.000 1.047 95 K CA 1.388 57.678 56.287 0.005 0.000 0.976 95 K CB 0.119 32.618 32.500 -0.001 0.000 0.765 95 K HN 0.679 nan 8.250 nan 0.000 0.474 96 T N -1.766 112.794 114.554 0.011 0.000 3.479 96 T HA 0.169 4.519 4.350 -0.000 0.000 0.197 96 T C 0.163 174.874 174.700 0.019 0.000 0.912 96 T CA -0.500 61.608 62.100 0.013 0.000 1.281 96 T CB 0.205 69.081 68.868 0.013 0.000 1.588 96 T HN 0.048 nan 8.240 nan 0.000 0.389 97 R N 0.023 120.539 120.500 0.025 0.000 2.561 97 R HA 0.541 4.881 4.340 -0.000 0.000 0.266 97 R C -1.706 174.620 176.300 0.043 0.000 1.091 97 R CA -0.738 55.381 56.100 0.031 0.000 0.927 97 R CB 1.299 31.615 30.300 0.028 0.000 1.240 97 R HN 0.421 nan 8.270 nan 0.000 0.449 98 L N 3.973 125.224 121.223 0.047 0.000 2.426 98 L HA 0.227 4.567 4.340 -0.000 0.000 0.271 98 L C 0.834 177.760 176.870 0.094 0.000 1.169 98 L CA -0.415 54.467 54.840 0.069 0.000 0.836 98 L CB 0.536 42.630 42.059 0.058 0.000 1.112 98 L HN 0.577 nan 8.230 nan 0.000 0.465 99 H N 4.515 123.607 119.070 0.038 0.000 2.607 99 H HA 0.108 4.664 4.556 -0.000 0.000 0.367 99 H C -1.950 173.439 175.328 0.102 0.000 1.181 99 H CA -1.600 54.489 56.048 0.069 0.000 1.402 99 H CB 1.829 31.626 29.762 0.058 0.000 1.474 99 H HN 0.320 nan 8.280 nan 0.000 0.596 100 P HA -0.195 nan 4.420 nan 0.000 0.216 100 P C 1.751 179.298 177.300 0.411 0.000 1.153 100 P CA 1.202 64.366 63.100 0.107 0.000 0.858 100 P CB 0.245 32.026 31.700 0.135 0.000 0.789 101 V N -0.427 119.894 119.914 0.679 0.000 2.287 101 V HA -0.308 3.812 4.120 -0.000 0.000 0.248 101 V C 2.431 178.779 176.094 0.423 0.000 1.053 101 V CA 1.962 64.581 62.300 0.531 0.000 1.027 101 V CB -1.289 30.679 31.823 0.241 0.000 0.646 101 V HN 0.213 nan 8.190 nan 0.000 0.447 102 Q N -0.423 119.554 119.800 0.294 0.000 2.079 102 Q HA -0.233 4.107 4.340 -0.000 0.000 0.200 102 Q C 2.354 178.404 176.000 0.083 0.000 0.974 102 Q CA 1.730 57.636 55.803 0.171 0.000 0.840 102 Q CB -0.210 28.603 28.738 0.125 0.000 0.898 102 Q HN 0.751 nan 8.270 nan 0.000 0.430 103 E N 1.235 121.463 120.200 0.046 0.000 2.051 103 E HA -0.214 4.136 4.350 -0.000 0.000 0.192 103 E C 1.985 178.440 176.600 -0.241 0.000 0.991 103 E CA 0.961 57.321 56.400 -0.068 0.000 0.799 103 E CB 0.137 29.790 29.700 -0.077 0.000 0.748 103 E HN 0.240 nan 8.360 nan 0.000 0.449 104 R N 0.206 120.493 120.500 -0.354 0.000 2.092 104 R HA -0.042 4.298 4.340 -0.000 0.000 0.231 104 R C 2.605 178.661 176.300 -0.406 0.000 1.119 104 R CA 1.200 56.890 56.100 -0.684 0.000 0.970 104 R CB -0.371 29.515 30.300 -0.689 0.000 0.864 104 R HN 0.330 nan 8.270 nan 0.000 0.440 105 I N 0.691 121.153 120.570 -0.180 0.000 2.394 105 I HA -0.202 3.968 4.170 -0.000 0.000 0.251 105 I C 2.195 178.176 176.117 -0.225 0.000 1.136 105 I CA 0.988 62.112 61.300 -0.292 0.000 1.425 105 I CB -0.042 37.881 38.000 -0.128 0.000 1.079 105 I HN 0.143 nan 8.210 nan 0.000 0.425 106 A N 0.718 123.450 122.820 -0.147 0.000 1.854 106 A HA -0.195 4.125 4.320 -0.000 0.000 0.214 106 A C 2.284 179.752 177.584 -0.193 0.000 1.192 106 A CA 1.524 53.493 52.037 -0.113 0.000 0.611 106 A CB -0.479 18.495 19.000 -0.044 0.000 0.832 106 A HN 0.352 nan 8.150 nan 0.000 0.442 107 K N 0.546 120.820 120.400 -0.208 0.000 2.283 107 K HA -0.074 4.246 4.320 -0.000 0.000 0.202 107 K C 1.918 178.222 176.600 -0.493 0.000 1.048 107 K CA 1.335 57.496 56.287 -0.209 0.000 0.948 107 K CB -0.122 32.423 32.500 0.075 0.000 0.742 107 K HN 0.627 nan 8.250 nan 0.000 0.458 108 S N -0.145 115.193 115.700 -0.604 0.000 2.593 108 S HA -0.048 4.422 4.470 -0.000 0.000 0.217 108 S C 0.002 174.334 174.600 -0.446 0.000 0.966 108 S CA -0.140 57.519 58.200 -0.902 0.000 0.914 108 S CB -0.317 62.302 63.200 -0.969 0.000 0.776 108 S HN 0.304 nan 8.310 nan 0.000 0.523 109 H N -0.778 118.211 119.070 -0.135 0.000 2.903 109 H HA -0.133 4.423 4.556 -0.000 0.000 0.285 109 H C 0.950 176.221 175.328 -0.094 0.000 1.231 109 H CA 0.627 56.638 56.048 -0.061 0.000 1.135 109 H CB -1.901 27.855 29.762 -0.011 0.000 1.328 109 H HN 0.613 nan 8.280 nan 0.000 0.388 110 G N -0.278 108.453 108.800 -0.115 0.000 3.088 110 G HA2 0.188 4.147 3.960 -0.000 0.000 0.212 110 G HA3 0.188 4.147 3.960 -0.000 0.000 0.212 110 G C 0.452 175.300 174.900 -0.087 0.000 1.173 110 G CA 0.751 45.769 45.100 -0.137 0.000 0.779 110 G HN 0.346 nan 8.290 nan 0.000 0.540 111 S N -0.862 114.807 115.700 -0.051 0.000 2.647 111 S HA 0.508 4.978 4.470 -0.000 0.000 0.300 111 S C 0.311 174.873 174.600 -0.064 0.000 1.129 111 S CA -0.638 57.536 58.200 -0.044 0.000 1.029 111 S CB 1.811 64.985 63.200 -0.044 0.000 1.007 111 S HN 0.324 nan 8.310 nan 0.000 0.484 112 Q N 1.672 121.441 119.800 -0.052 0.000 2.505 112 Q HA 0.097 4.437 4.340 -0.000 0.000 0.184 112 Q C 2.248 178.174 176.000 -0.124 0.000 0.878 112 Q CA 0.839 56.606 55.803 -0.059 0.000 0.811 112 Q CB -0.472 28.286 28.738 0.034 0.000 1.118 112 Q HN 0.967 nan 8.270 nan 0.000 0.605 113 C N -0.366 118.942 119.300 0.013 0.000 2.446 113 C HA 0.307 4.767 4.460 -0.000 0.000 0.279 113 C C 1.724 176.823 174.990 0.182 0.000 1.366 113 C CA 0.456 59.521 59.018 0.078 0.000 1.763 113 C CB -1.099 26.708 27.740 0.111 0.000 1.929 113 C HN 0.896 nan 8.230 nan 0.000 0.509 114 G N -0.632 108.250 108.800 0.137 0.000 2.179 114 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.260 114 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.260 114 G C 0.388 175.421 174.900 0.222 0.000 0.977 114 G CA 0.491 45.699 45.100 0.181 0.000 0.641 114 G HN 0.562 nan 8.290 nan 0.000 0.533 115 F N 1.218 121.149 119.950 -0.033 0.000 2.293 115 F HA 0.015 4.542 4.527 -0.000 0.000 0.300 115 F C 2.781 178.538 175.800 -0.073 0.000 1.086 115 F CA 2.072 59.915 58.000 -0.262 0.000 1.375 115 F CB -0.207 38.587 39.000 -0.344 0.000 1.045 115 F HN 0.598 nan 8.300 nan 0.000 0.516 116 C N -2.051 117.316 119.300 0.111 0.000 2.673 116 C HA 0.116 4.576 4.460 -0.000 0.000 0.264 116 C C 2.434 177.479 174.990 0.093 0.000 1.304 116 C CA 0.612 59.695 59.018 0.108 0.000 1.727 116 C CB -1.476 26.376 27.740 0.186 0.000 1.932 116 C HN 0.343 nan 8.230 nan 0.000 0.563 117 T N 3.012 117.610 114.554 0.074 0.000 2.684 117 T HA -0.085 4.265 4.350 -0.000 0.000 0.267 117 T C -0.349 174.404 174.700 0.088 0.000 1.036 117 T CA 2.449 64.604 62.100 0.092 0.000 1.148 117 T CB -1.407 67.507 68.868 0.075 0.000 0.863 117 T HN 0.436 nan 8.240 nan 0.000 0.436 118 P HA -0.048 nan 4.420 nan 0.000 0.215 118 P C 1.785 179.111 177.300 0.043 0.000 1.153 118 P CA 1.245 64.353 63.100 0.014 0.000 0.853 118 P CB -0.495 31.176 31.700 -0.048 0.000 0.788 119 G N -0.405 108.425 108.800 0.051 0.000 2.422 119 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.218 119 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.218 119 G C 1.523 176.536 174.900 0.188 0.000 1.146 119 G CA 0.438 45.598 45.100 0.100 0.000 0.769 119 G HN 0.216 nan 8.290 nan 0.000 0.547 120 I N 0.405 121.121 120.570 0.245 0.000 2.252 120 I HA -0.132 4.038 4.170 -0.000 0.000 0.245 120 I C 2.773 179.127 176.117 0.394 0.000 1.102 120 I CA 0.538 62.064 61.300 0.377 0.000 1.385 120 I CB -0.452 37.755 38.000 0.344 0.000 1.064 120 I HN 0.015 nan 8.210 nan 0.000 0.414 121 V N 0.804 120.885 119.914 0.277 0.000 2.287 121 V HA -0.304 3.816 4.120 -0.000 0.000 0.248 121 V C 2.573 178.731 176.094 0.108 0.000 1.053 121 V CA 1.666 64.092 62.300 0.210 0.000 1.027 121 V CB -0.448 31.455 31.823 0.133 0.000 0.646 121 V HN 0.369 nan 8.190 nan 0.000 0.447 122 M N -0.812 118.837 119.600 0.082 0.000 2.296 122 M HA -0.072 4.408 4.480 -0.000 0.000 0.265 122 M C 2.353 178.690 176.300 0.062 0.000 1.064 122 M CA 1.351 56.681 55.300 0.050 0.000 1.109 122 M CB -1.423 31.188 32.600 0.019 0.000 1.396 122 M HN 0.310 nan 8.290 nan 0.000 0.430 123 S N 0.393 116.145 115.700 0.087 0.000 2.387 123 S HA -0.088 4.382 4.470 -0.000 0.000 0.226 123 S C 1.825 176.319 174.600 -0.177 0.000 1.026 123 S CA 1.110 59.295 58.200 -0.025 0.000 0.972 123 S CB -0.136 63.083 63.200 0.031 0.000 0.814 123 S HN 0.391 nan 8.310 nan 0.000 0.477 124 M N 0.332 119.886 119.600 -0.076 0.000 2.156 124 M HA 0.014 4.494 4.480 -0.000 0.000 0.264 124 M C 1.700 177.806 176.300 -0.323 0.000 1.067 124 M CA 1.381 56.497 55.300 -0.308 0.000 1.131 124 M CB -0.763 31.485 32.600 -0.586 0.000 1.368 124 M HN 0.368 nan 8.290 nan 0.000 0.416 125 Y N 0.430 120.538 120.300 -0.319 0.000 2.128 125 Y HA -0.250 4.300 4.550 -0.000 0.000 0.284 125 Y C 2.056 177.788 175.900 -0.280 0.000 1.154 125 Y CA 2.551 60.448 58.100 -0.337 0.000 1.149 125 Y CB -0.881 37.382 38.460 -0.328 0.000 0.976 125 Y HN 0.295 nan 8.280 nan 0.000 0.505 126 T N 1.198 115.653 114.554 -0.166 0.000 2.720 126 T HA -0.222 4.128 4.350 -0.000 0.000 0.268 126 T C 1.803 176.348 174.700 -0.258 0.000 1.037 126 T CA 1.534 63.520 62.100 -0.190 0.000 1.144 126 T CB -0.735 68.090 68.868 -0.072 0.000 0.864 126 T HN 0.343 nan 8.240 nan 0.000 0.444 127 L N 1.150 122.205 121.223 -0.280 0.000 2.012 127 L HA -0.006 4.334 4.340 -0.000 0.000 0.210 127 L C 2.141 178.837 176.870 -0.290 0.000 1.073 127 L CA 1.684 56.359 54.840 -0.273 0.000 0.748 127 L CB -0.826 41.041 42.059 -0.319 0.000 0.891 127 L HN 0.258 nan 8.230 nan 0.000 0.431 128 L N -0.930 120.059 121.223 -0.389 0.000 2.131 128 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 128 L C 2.643 179.289 176.870 -0.374 0.000 1.092 128 L CA 0.926 55.528 54.840 -0.395 0.000 0.759 128 L CB -0.491 41.261 42.059 -0.512 0.000 0.903 128 L HN 0.248 nan 8.230 nan 0.000 0.435 129 R N 0.217 120.428 120.500 -0.481 0.000 2.189 129 R HA -0.049 4.291 4.340 -0.000 0.000 0.218 129 R C 1.884 178.051 176.300 -0.221 0.000 1.074 129 R CA 0.984 56.809 56.100 -0.458 0.000 0.991 129 R CB -0.196 29.711 30.300 -0.655 0.000 0.883 129 R HN 0.377 nan 8.270 nan 0.000 0.457 130 N N -0.939 117.662 118.700 -0.164 0.000 2.432 130 N HA -0.036 4.704 4.740 -0.000 0.000 0.174 130 N C -0.367 175.093 175.510 -0.084 0.000 1.037 130 N CA 0.397 53.402 53.050 -0.074 0.000 0.892 130 N CB 0.471 38.921 38.487 -0.062 0.000 1.049 130 N HN 0.028 nan 8.380 nan 0.000 0.442 131 Q N 0.703 120.432 119.800 -0.119 0.000 2.589 131 Q HA 0.271 4.611 4.340 -0.000 0.000 0.245 131 Q C -2.348 173.585 176.000 -0.110 0.000 0.931 131 Q CA -1.602 54.145 55.803 -0.094 0.000 0.730 131 Q CB 1.968 30.658 28.738 -0.080 0.000 1.315 131 Q HN -0.063 nan 8.270 nan 0.000 0.469 132 P HA -0.125 nan 4.420 nan 0.000 0.222 132 P C -0.662 176.625 177.300 -0.021 0.000 1.147 132 P CA 1.022 64.076 63.100 -0.076 0.000 0.790 132 P CB 0.516 32.189 31.700 -0.045 0.000 0.780 133 E N 0.837 121.035 120.200 -0.004 0.000 3.108 133 E HA 0.259 4.609 4.350 -0.000 0.000 0.228 133 E C -2.399 174.218 176.600 0.027 0.000 1.176 133 E CA -1.918 54.505 56.400 0.039 0.000 0.881 133 E CB 1.347 31.075 29.700 0.045 0.000 1.354 133 E HN 0.344 nan 8.360 nan 0.000 0.400 134 P HA 0.044 nan 4.420 nan 0.000 0.276 134 P C 0.134 177.465 177.300 0.052 0.000 1.252 134 P CA -0.251 62.856 63.100 0.013 0.000 0.802 134 P CB 1.044 32.731 31.700 -0.022 0.000 1.035 135 T N -2.491 112.087 114.554 0.040 0.000 2.874 135 T HA 0.163 4.513 4.350 -0.000 0.000 0.281 135 T C 1.511 176.260 174.700 0.082 0.000 0.994 135 T CA -0.677 61.459 62.100 0.059 0.000 1.015 135 T CB 0.064 68.957 68.868 0.043 0.000 1.028 135 T HN 0.086 nan 8.240 nan 0.000 0.523 136 V N 0.870 120.846 119.914 0.102 0.000 2.392 136 V HA -0.138 3.982 4.120 -0.000 0.000 0.249 136 V C 2.788 178.953 176.094 0.118 0.000 1.059 136 V CA 2.305 64.684 62.300 0.132 0.000 1.051 136 V CB -1.050 30.855 31.823 0.136 0.000 0.658 136 V HN 1.066 nan 8.190 nan 0.000 0.455 137 E N 0.160 120.410 120.200 0.084 0.000 2.072 137 E HA -0.240 4.110 4.350 -0.000 0.000 0.191 137 E C 2.181 178.802 176.600 0.035 0.000 0.985 137 E CA 1.417 57.857 56.400 0.067 0.000 0.801 137 E CB -0.053 29.676 29.700 0.048 0.000 0.750 137 E HN 0.718 nan 8.360 nan 0.000 0.452 138 E N 0.366 120.574 120.200 0.012 0.000 2.110 138 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 138 E C 2.211 178.776 176.600 -0.059 0.000 0.988 138 E CA 1.089 57.466 56.400 -0.039 0.000 0.804 138 E CB -0.100 29.572 29.700 -0.047 0.000 0.745 138 E HN 0.403 nan 8.360 nan 0.000 0.458 139 I N 1.192 121.773 120.570 0.018 0.000 2.264 139 I HA -0.281 3.889 4.170 -0.000 0.000 0.248 139 I C 2.666 178.856 176.117 0.122 0.000 1.111 139 I CA 1.238 62.581 61.300 0.071 0.000 1.382 139 I CB -0.231 37.905 38.000 0.228 0.000 1.060 139 I HN 0.164 nan 8.210 nan 0.000 0.418 140 E N 1.092 121.383 120.200 0.151 0.000 2.046 140 E HA -0.239 4.111 4.350 -0.000 0.000 0.190 140 E C 1.561 178.187 176.600 0.043 0.000 0.982 140 E CA 1.295 57.815 56.400 0.199 0.000 0.800 140 E CB 0.087 29.906 29.700 0.197 0.000 0.756 140 E HN 0.360 nan 8.360 nan 0.000 0.449 141 D N 0.315 120.689 120.400 -0.042 0.000 2.311 141 D HA -0.137 4.503 4.640 -0.000 0.000 0.212 141 D C 1.550 177.706 176.300 -0.241 0.000 0.972 141 D CA 0.938 54.868 54.000 -0.116 0.000 0.887 141 D CB -0.115 40.610 40.800 -0.126 0.000 0.915 141 D HN 0.286 nan 8.370 nan 0.000 0.497 142 A N -0.299 122.261 122.820 -0.435 0.000 2.121 142 A HA -0.080 4.240 4.320 -0.000 0.000 0.218 142 A C 1.109 178.130 177.584 -0.938 0.000 1.154 142 A CA 0.567 52.153 52.037 -0.751 0.000 0.679 142 A CB -0.468 17.894 19.000 -1.065 0.000 0.795 142 A HN 0.198 nan 8.150 nan 0.000 0.458 143 F N -0.890 118.890 119.950 -0.283 0.000 2.791 143 F HA 0.214 4.741 4.527 -0.000 0.000 0.308 143 F C 1.637 177.324 175.800 -0.187 0.000 1.138 143 F CA -0.370 57.393 58.000 -0.395 0.000 1.294 143 F CB 0.100 38.376 39.000 -1.206 0.000 0.975 143 F HN 0.139 nan 8.300 nan 0.000 0.512 144 Q N 0.568 120.376 119.800 0.013 0.000 2.364 144 Q HA -0.057 4.283 4.340 -0.000 0.000 0.209 144 Q C 2.031 178.106 176.000 0.124 0.000 0.977 144 Q CA 1.211 57.066 55.803 0.085 0.000 0.885 144 Q CB -0.087 28.680 28.738 0.049 0.000 0.941 144 Q HN 0.582 nan 8.270 nan 0.000 0.464 145 G N 0.085 108.954 108.800 0.116 0.000 3.502 145 G HA2 0.074 4.034 3.960 -0.000 0.000 0.267 145 G HA3 0.074 4.034 3.960 -0.000 0.000 0.267 145 G C -0.020 175.007 174.900 0.212 0.000 1.090 145 G CA -0.310 44.878 45.100 0.146 0.000 0.795 145 G HN 0.065 nan 8.290 nan 0.000 0.535 146 N N 0.513 119.392 118.700 0.298 0.000 2.314 146 N HA 0.500 5.240 4.740 -0.000 0.000 0.294 146 N C -1.226 174.610 175.510 0.543 0.000 1.029 146 N CA -0.318 52.979 53.050 0.412 0.000 0.845 146 N CB 2.605 41.389 38.487 0.495 0.000 1.321 146 N HN -0.038 nan 8.380 nan 0.000 0.481 147 L N 1.016 122.510 121.223 0.453 0.000 2.346 147 L HA 0.593 4.933 4.340 -0.000 0.000 0.274 147 L C -0.386 176.706 176.870 0.370 0.000 1.007 147 L CA -0.843 54.264 54.840 0.444 0.000 0.818 147 L CB 2.176 44.419 42.059 0.307 0.000 1.284 147 L HN 0.479 nan 8.230 nan 0.000 0.424 148 C N 2.372 121.805 119.300 0.220 0.000 2.482 148 C HA 0.518 4.978 4.460 -0.000 0.000 0.317 148 C C 0.879 175.749 174.990 -0.200 0.000 1.197 148 C CA -0.523 58.447 59.018 -0.080 0.000 1.432 148 C CB 1.692 29.195 27.740 -0.395 0.000 2.062 148 C HN 0.981 nan 8.230 nan 0.000 0.471 149 R N 2.450 122.943 120.500 -0.011 0.000 2.265 149 R HA 0.276 4.616 4.340 -0.000 0.000 0.194 149 R C 1.344 177.631 176.300 -0.021 0.000 0.931 149 R CA 1.408 57.485 56.100 -0.038 0.000 1.032 149 R CB -0.609 29.724 30.300 0.054 0.000 0.980 149 R HN 0.874 nan 8.270 nan 0.000 0.497 150 C N -1.529 117.818 119.300 0.078 0.000 2.513 150 C HA 0.150 4.610 4.460 -0.000 0.000 0.292 150 C C 2.354 177.360 174.990 0.026 0.000 1.359 150 C CA 0.779 59.897 59.018 0.167 0.000 1.778 150 C CB -0.203 27.653 27.740 0.193 0.000 2.180 150 C HN 0.626 nan 8.230 nan 0.000 0.509 151 T N -1.782 112.705 114.554 -0.111 0.000 3.043 151 T HA 0.278 4.628 4.350 -0.000 0.000 0.263 151 T C 1.655 176.286 174.700 -0.114 0.000 1.094 151 T CA 1.564 63.592 62.100 -0.119 0.000 1.127 151 T CB -0.342 68.432 68.868 -0.156 0.000 0.905 151 T HN 1.044 nan 8.240 nan 0.000 0.490 152 G N 0.487 109.153 108.800 -0.223 0.000 2.159 152 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.256 152 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.256 152 G C 0.609 175.565 174.900 0.093 0.000 0.977 152 G CA 0.414 45.523 45.100 0.015 0.000 0.652 152 G HN 0.647 nan 8.290 nan 0.000 0.531 153 Y N -2.324 117.903 120.300 -0.121 0.000 3.301 153 Y HA -0.410 4.140 4.550 -0.000 0.000 0.459 153 Y C 2.363 178.223 175.900 -0.067 0.000 1.135 153 Y CA 2.648 60.580 58.100 -0.282 0.000 2.611 153 Y CB -1.409 36.757 38.460 -0.491 0.000 0.841 153 Y HN 0.478 nan 8.280 nan 0.000 0.522 154 R N 1.133 121.762 120.500 0.215 0.000 2.133 154 R HA -0.210 4.130 4.340 -0.000 0.000 0.245 154 R C -0.879 175.495 176.300 0.123 0.000 1.137 154 R CA 2.716 58.934 56.100 0.198 0.000 0.947 154 R CB -1.370 29.007 30.300 0.129 0.000 0.865 154 R HN 0.413 nan 8.270 nan 0.000 0.437 155 P HA -0.136 nan 4.420 nan 0.000 0.218 155 P C 1.627 178.880 177.300 -0.080 0.000 1.149 155 P CA 1.368 64.484 63.100 0.028 0.000 0.817 155 P CB -0.183 31.527 31.700 0.016 0.000 0.785 156 I N -0.575 119.938 120.570 -0.094 0.000 2.163 156 I HA -0.207 3.963 4.170 -0.000 0.000 0.240 156 I C 2.732 178.752 176.117 -0.161 0.000 1.081 156 I CA 1.225 62.372 61.300 -0.254 0.000 1.353 156 I CB -0.710 37.245 38.000 -0.075 0.000 1.054 156 I HN -0.153 nan 8.210 nan 0.000 0.407 157 L N 0.108 121.421 121.223 0.150 0.000 2.046 157 L HA -0.241 4.099 4.340 -0.000 0.000 0.208 157 L C 2.702 179.728 176.870 0.259 0.000 1.077 157 L CA 1.441 56.456 54.840 0.293 0.000 0.747 157 L CB -0.578 41.694 42.059 0.356 0.000 0.896 157 L HN 0.336 nan 8.230 nan 0.000 0.432 158 Q N 0.012 119.938 119.800 0.210 0.000 2.119 158 Q HA -0.148 4.192 4.340 -0.000 0.000 0.201 158 Q C 2.144 178.317 176.000 0.289 0.000 0.972 158 Q CA 1.678 57.641 55.803 0.267 0.000 0.847 158 Q CB -0.167 28.750 28.738 0.299 0.000 0.903 158 Q HN 0.479 nan 8.270 nan 0.000 0.433 159 G N -0.378 108.464 108.800 0.071 0.000 2.402 159 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.216 159 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.216 159 G C 0.866 175.858 174.900 0.153 0.000 1.162 159 G CA 0.410 45.461 45.100 -0.082 0.000 0.777 159 G HN 0.342 nan 8.290 nan 0.000 0.539 160 F N 0.602 120.670 119.950 0.197 0.000 2.558 160 F HA 0.238 4.765 4.527 -0.000 0.000 0.298 160 F C 2.472 178.487 175.800 0.360 0.000 1.119 160 F CA -0.072 58.140 58.000 0.352 0.000 1.451 160 F CB -0.346 38.897 39.000 0.405 0.000 1.091 160 F HN 0.075 nan 8.300 nan 0.000 0.563 161 R N 0.472 121.243 120.500 0.452 0.000 2.193 161 R HA -0.133 4.207 4.340 -0.000 0.000 0.229 161 R C 1.988 178.462 176.300 0.290 0.000 1.110 161 R CA 1.652 57.959 56.100 0.346 0.000 0.988 161 R CB -0.320 30.152 30.300 0.286 0.000 0.871 161 R HN 0.356 nan 8.270 nan 0.000 0.458 162 T N -2.656 112.057 114.554 0.265 0.000 3.051 162 T HA -0.068 4.282 4.350 -0.000 0.000 0.269 162 T C 1.371 176.126 174.700 0.092 0.000 1.127 162 T CA 0.703 62.905 62.100 0.170 0.000 1.107 162 T CB -0.270 68.727 68.868 0.216 0.000 0.898 162 T HN 0.192 nan 8.240 nan 0.000 0.517 163 F N 1.742 121.824 119.950 0.219 0.000 2.710 163 F HA 0.483 5.010 4.527 0.000 0.000 0.298 163 F C 1.922 177.788 175.800 0.110 0.000 1.137 163 F CA -0.261 57.828 58.000 0.147 0.000 1.444 163 F CB -0.114 38.952 39.000 0.110 0.000 1.111 163 F HN 0.294 nan 8.300 nan 0.000 0.580 164 A N 0.344 123.334 122.820 0.282 0.000 2.257 164 A HA 0.493 4.813 4.320 -0.000 0.000 0.290 164 A C 0.528 178.198 177.584 0.143 0.000 1.201 164 A CA -0.282 51.868 52.037 0.189 0.000 0.863 164 A CB 0.442 19.545 19.000 0.171 0.000 1.256 164 A HN 0.250 nan 8.150 nan 0.000 0.506 193 P HA 0.448 nan 4.420 nan 0.000 0.270 193 P C -0.857 176.258 177.300 -0.309 0.000 1.223 193 P CA -0.275 62.581 63.100 -0.406 0.000 0.785 193 P CB 0.447 31.799 31.700 -0.579 0.000 0.923 194 S N 0.436 116.138 115.700 0.003 0.000 2.578 194 S HA 0.300 4.770 4.470 -0.000 0.000 0.301 194 S C 1.403 176.191 174.600 0.312 0.000 1.091 194 S CA -0.756 57.500 58.200 0.093 0.000 1.032 194 S CB 1.368 64.506 63.200 -0.103 0.000 1.064 194 S HN 0.380 nan 8.310 nan 0.000 0.508 195 L N 1.117 122.491 121.223 0.251 0.000 2.291 195 L HA 0.156 4.496 4.340 -0.000 0.000 0.214 195 L C 0.021 177.161 176.870 0.451 0.000 1.120 195 L CA 1.004 56.000 54.840 0.260 0.000 0.799 195 L CB -0.188 42.021 42.059 0.250 0.000 0.925 195 L HN 0.704 nan 8.230 nan 0.000 0.446 196 F N -3.309 116.740 119.950 0.165 0.000 2.713 196 F HA 0.482 5.009 4.527 0.000 0.000 0.311 196 F C -1.003 174.766 175.800 -0.052 0.000 1.141 196 F CA -1.626 56.418 58.000 0.072 0.000 0.939 196 F CB 1.036 40.074 39.000 0.063 0.000 1.325 196 F HN -0.340 nan 8.300 nan 0.000 0.453 197 N N 1.846 120.561 118.700 0.025 0.000 2.569 197 N HA 0.523 5.263 4.740 -0.000 0.000 0.254 197 N C -2.412 172.800 175.510 -0.496 0.000 1.004 197 N CA -2.615 50.311 53.050 -0.206 0.000 0.904 197 N CB 1.920 40.338 38.487 -0.116 0.000 1.165 197 N HN 0.274 nan 8.380 nan 0.000 0.513 198 P HA -0.113 nan 4.420 nan 0.000 0.219 198 P C 0.374 177.374 177.300 -0.500 0.000 1.146 198 P CA 1.190 63.764 63.100 -0.878 0.000 0.808 198 P CB 0.329 31.854 31.700 -0.293 0.000 0.779 199 E N -0.351 119.685 120.200 -0.273 0.000 2.333 199 E HA -0.211 4.139 4.350 -0.000 0.000 0.198 199 E C 1.828 178.382 176.600 -0.077 0.000 1.007 199 E CA 0.659 56.985 56.400 -0.124 0.000 0.845 199 E CB -0.296 29.352 29.700 -0.086 0.000 0.766 199 E HN 0.487 nan 8.360 nan 0.000 0.507 200 E N 0.408 120.534 120.200 -0.125 0.000 2.442 200 E HA -0.015 4.335 4.350 -0.000 0.000 0.195 200 E C -0.169 176.549 176.600 0.197 0.000 1.030 200 E CA -0.225 56.186 56.400 0.018 0.000 0.869 200 E CB 0.183 29.898 29.700 0.026 0.000 0.857 200 E HN 0.124 nan 8.360 nan 0.000 0.505 201 F N 1.714 121.676 119.950 0.019 0.000 2.495 201 F HA 0.109 4.636 4.527 0.000 0.000 0.365 201 F C 0.868 176.663 175.800 -0.010 0.000 1.090 201 F CA -0.859 57.136 58.000 -0.008 0.000 1.235 201 F CB 0.681 39.651 39.000 -0.051 0.000 1.119 201 F HN 0.037 nan 8.300 nan 0.000 0.562 202 M N 6.606 126.311 119.600 0.176 0.000 2.227 202 M HA 0.222 4.702 4.480 -0.000 0.000 0.349 202 M C -2.356 173.993 176.300 0.082 0.000 1.443 202 M CA -1.479 53.878 55.300 0.094 0.000 1.110 202 M CB 0.614 33.245 32.600 0.051 0.000 1.773 202 M HN 0.196 nan 8.290 nan 0.000 0.463 203 P HA 0.057 nan 4.420 nan 0.000 0.269 203 P C -1.032 176.327 177.300 0.097 0.000 1.215 203 P CA -0.474 62.683 63.100 0.095 0.000 0.780 203 P CB 0.445 32.191 31.700 0.077 0.000 0.898 204 L N 2.696 124.014 121.223 0.159 0.000 2.416 204 L HA 0.280 4.620 4.340 -0.000 0.000 0.272 204 L C -0.032 176.872 176.870 0.057 0.000 1.161 204 L CA 0.645 55.555 54.840 0.116 0.000 0.845 204 L CB 0.022 42.184 42.059 0.173 0.000 1.119 204 L HN 0.235 nan 8.230 nan 0.000 0.464 205 D N 5.592 126.005 120.400 0.022 0.000 2.375 205 D HA 0.378 5.018 4.640 -0.000 0.000 0.259 205 D C -2.025 174.287 176.300 0.020 0.000 1.235 205 D CA -1.797 52.217 54.000 0.022 0.000 0.924 205 D CB 1.593 42.405 40.800 0.019 0.000 1.143 205 D HN 0.275 nan 8.370 nan 0.000 0.529 206 P HA -0.155 nan 4.420 nan 0.000 0.218 206 P C 1.316 178.627 177.300 0.018 0.000 1.146 206 P CA 1.441 64.544 63.100 0.005 0.000 0.820 206 P CB 0.148 31.841 31.700 -0.011 0.000 0.778 207 T N -4.142 110.424 114.554 0.020 0.000 3.007 207 T HA -0.124 4.226 4.350 -0.000 0.000 0.270 207 T C 1.526 176.245 174.700 0.031 0.000 1.107 207 T CA 0.935 63.049 62.100 0.023 0.000 1.118 207 T CB -0.667 68.213 68.868 0.020 0.000 0.889 207 T HN 0.246 nan 8.240 nan 0.000 0.506 208 Q N 0.077 119.899 119.800 0.036 0.000 2.247 208 Q HA 0.280 4.620 4.340 -0.000 0.000 0.204 208 Q C -0.021 176.020 176.000 0.069 0.000 0.872 208 Q CA -0.237 55.592 55.803 0.044 0.000 0.951 208 Q CB 0.394 29.154 28.738 0.035 0.000 1.099 208 Q HN 0.416 nan 8.270 nan 0.000 0.501 209 E N 1.929 122.176 120.200 0.077 0.000 2.366 209 E HA 0.144 4.494 4.350 -0.000 0.000 0.266 209 E C -2.323 174.332 176.600 0.092 0.000 1.051 209 E CA -2.116 54.352 56.400 0.113 0.000 0.884 209 E CB 0.495 30.245 29.700 0.084 0.000 1.006 209 E HN -0.084 nan 8.360 nan 0.000 0.417 210 P HA -0.010 nan 4.420 nan 0.000 0.262 210 P C -0.302 177.049 177.300 0.085 0.000 1.182 210 P CA 0.286 63.432 63.100 0.077 0.000 0.761 210 P CB 0.279 32.021 31.700 0.071 0.000 0.795 211 I N 3.624 124.236 120.570 0.069 0.000 2.638 211 I HA 0.174 4.344 4.170 -0.000 0.000 0.286 211 I C 0.177 176.360 176.117 0.111 0.000 1.088 211 I CA -0.747 60.607 61.300 0.090 0.000 1.397 211 I CB 0.312 38.346 38.000 0.056 0.000 1.414 211 I HN 0.142 nan 8.210 nan 0.000 0.566 212 F N 9.003 128.955 119.950 0.003 0.000 2.578 212 F HA 0.252 4.778 4.527 -0.000 0.000 0.376 212 F C -1.919 173.809 175.800 -0.120 0.000 1.085 212 F CA -1.850 56.132 58.000 -0.030 0.000 1.260 212 F CB -0.101 38.893 39.000 -0.011 0.000 1.095 212 F HN 0.330 nan 8.300 nan 0.000 0.573 213 P HA -0.029 nan 4.420 nan 0.000 0.255 213 P C -2.157 174.785 177.300 -0.597 0.000 1.173 213 P CA -0.425 62.211 63.100 -0.773 0.000 0.780 213 P CB 0.334 31.188 31.700 -1.409 0.000 0.758 214 P HA -0.226 nan 4.420 nan 0.000 0.215 214 P C 1.423 178.606 177.300 -0.195 0.000 1.157 214 P CA 1.316 64.318 63.100 -0.164 0.000 0.874 214 P CB -0.006 31.639 31.700 -0.092 0.000 0.790 215 E N -0.631 119.444 120.200 -0.210 0.000 2.118 215 E HA -0.191 4.159 4.350 -0.000 0.000 0.195 215 E C 1.818 178.273 176.600 -0.240 0.000 0.992 215 E CA 0.788 57.104 56.400 -0.140 0.000 0.804 215 E CB -0.512 29.204 29.700 0.028 0.000 0.741 215 E HN 0.025 nan 8.360 nan 0.000 0.458 216 L N 0.894 121.813 121.223 -0.507 0.000 2.201 216 L HA -0.090 4.250 4.340 -0.000 0.000 0.212 216 L C 2.192 178.919 176.870 -0.238 0.000 1.105 216 L CA 0.985 55.511 54.840 -0.524 0.000 0.775 216 L CB -0.527 40.944 42.059 -0.980 0.000 0.913 216 L HN 0.317 nan 8.230 nan 0.000 0.440 217 L N -0.194 120.939 121.223 -0.150 0.000 2.313 217 L HA -0.071 4.269 4.340 -0.000 0.000 0.214 217 L C 2.628 179.414 176.870 -0.140 0.000 1.119 217 L CA 1.254 56.074 54.840 -0.033 0.000 0.809 217 L CB -0.405 41.678 42.059 0.040 0.000 0.933 217 L HN 0.154 nan 8.230 nan 0.000 0.449 218 R N -1.187 119.233 120.500 -0.133 0.000 2.093 218 R HA 0.002 4.342 4.340 -0.000 0.000 0.224 218 R C 2.100 178.331 176.300 -0.114 0.000 1.101 218 R CA 1.065 57.097 56.100 -0.113 0.000 0.979 218 R CB -0.369 29.881 30.300 -0.083 0.000 0.877 218 R HN 0.310 nan 8.270 nan 0.000 0.441 219 L N 1.825 122.963 121.223 -0.142 0.000 2.191 219 L HA -0.161 4.179 4.340 -0.000 0.000 0.212 219 L C 2.444 179.267 176.870 -0.078 0.000 1.103 219 L CA 1.273 56.034 54.840 -0.132 0.000 0.769 219 L CB -0.557 41.294 42.059 -0.348 0.000 0.908 219 L HN 0.247 nan 8.230 nan 0.000 0.438 220 K N -0.278 120.053 120.400 -0.116 0.000 2.160 220 K HA -0.233 4.087 4.320 -0.000 0.000 0.206 220 K C 1.246 177.805 176.600 -0.069 0.000 1.047 220 K CA 1.891 58.122 56.287 -0.094 0.000 0.930 220 K CB -0.325 31.935 32.500 -0.401 0.000 0.720 220 K HN 0.211 nan 8.250 nan 0.000 0.450 221 D N 1.382 121.725 120.400 -0.095 0.000 2.117 221 D HA -0.059 4.581 4.640 -0.000 0.000 0.198 221 D C 0.481 176.773 176.300 -0.014 0.000 0.982 221 D CA 0.757 54.723 54.000 -0.056 0.000 0.828 221 D CB -0.267 40.496 40.800 -0.063 0.000 0.967 221 D HN 0.036 nan 8.370 nan 0.000 0.464 222 V N 3.330 123.245 119.914 0.001 0.000 2.493 222 V HA 0.035 4.155 4.120 -0.000 0.000 0.292 222 V C -1.949 174.164 176.094 0.031 0.000 1.016 222 V CA -0.995 61.321 62.300 0.027 0.000 1.097 222 V CB 0.169 32.026 31.823 0.057 0.000 0.947 222 V HN 0.008 nan 8.190 nan 0.000 0.479 223 P HA 0.141 nan 4.420 nan 0.000 0.264 223 P C -2.164 175.146 177.300 0.017 0.000 1.193 223 P CA -0.662 62.449 63.100 0.018 0.000 0.763 223 P CB -0.137 31.577 31.700 0.024 0.000 0.810 224 P HA 0.138 nan 4.420 nan 0.000 0.271 224 P C -0.823 176.527 177.300 0.084 0.000 1.218 224 P CA -0.123 62.948 63.100 -0.048 0.000 0.780 224 P CB 0.896 32.449 31.700 -0.246 0.000 0.901 225 K N 0.815 121.307 120.400 0.152 0.000 2.395 225 K HA 0.364 4.684 4.320 -0.000 0.000 0.247 225 K C -0.355 176.370 176.600 0.208 0.000 0.973 225 K CA -1.132 55.245 56.287 0.150 0.000 0.828 225 K CB 1.614 34.168 32.500 0.089 0.000 1.272 225 K HN 0.375 nan 8.250 nan 0.000 0.439 226 Q N 2.272 122.140 119.800 0.115 0.000 2.315 226 Q HA 0.116 4.456 4.340 -0.000 0.000 0.289 226 Q C -1.149 174.820 176.000 -0.052 0.000 1.044 226 Q CA 0.030 55.855 55.803 0.037 0.000 0.920 226 Q CB 0.482 29.218 28.738 -0.004 0.000 1.214 226 Q HN 0.551 nan 8.270 nan 0.000 0.392 227 L N 3.648 124.764 121.223 -0.178 0.000 2.341 227 L HA 0.655 4.995 4.340 -0.000 0.000 0.267 227 L C -0.334 176.226 176.870 -0.516 0.000 1.009 227 L CA -0.940 53.670 54.840 -0.384 0.000 0.819 227 L CB 2.112 43.841 42.059 -0.551 0.000 1.323 227 L HN 0.648 nan 8.230 nan 0.000 0.425 228 R N 1.686 121.820 120.500 -0.611 0.000 2.513 228 R HA 0.598 4.938 4.340 -0.000 0.000 0.301 228 R C -1.965 174.015 176.300 -0.533 0.000 0.968 228 R CA -0.401 55.431 56.100 -0.446 0.000 0.872 228 R CB 1.428 31.612 30.300 -0.193 0.000 1.177 228 R HN 0.449 nan 8.270 nan 0.000 0.444 229 F N 2.193 122.184 119.950 0.069 0.000 2.495 229 F HA 0.389 4.916 4.527 0.000 0.000 0.327 229 F C -0.033 175.800 175.800 0.054 0.000 1.103 229 F CA -0.861 57.155 58.000 0.026 0.000 0.949 229 F CB 2.363 41.324 39.000 -0.064 0.000 1.142 229 F HN 0.334 nan 8.300 nan 0.000 0.457 230 E N 1.632 121.965 120.200 0.221 0.000 2.185 230 E HA 0.501 4.851 4.350 -0.000 0.000 0.261 230 E C -0.092 176.577 176.600 0.115 0.000 0.879 230 E CA -0.623 55.860 56.400 0.138 0.000 0.756 230 E CB 2.117 31.873 29.700 0.093 0.000 1.152 230 E HN 0.782 nan 8.360 nan 0.000 0.416 231 G N 1.263 110.126 108.800 0.105 0.000 2.795 231 G HA2 0.059 4.019 3.960 -0.000 0.000 0.267 231 G HA3 0.059 4.019 3.960 -0.000 0.000 0.267 231 G C 0.506 175.451 174.900 0.074 0.000 1.362 231 G CA -0.371 44.776 45.100 0.080 0.000 1.048 231 G HN 0.589 nan 8.290 nan 0.000 0.547 232 E N -0.737 119.507 120.200 0.072 0.000 2.077 232 E HA -0.086 4.264 4.350 -0.000 0.000 0.193 232 E C 1.968 178.609 176.600 0.069 0.000 0.989 232 E CA 0.955 57.402 56.400 0.078 0.000 0.800 232 E CB 0.051 29.814 29.700 0.105 0.000 0.746 232 E HN 0.465 nan 8.360 nan 0.000 0.452 233 R N -0.961 119.582 120.500 0.071 0.000 2.517 233 R HA 0.243 4.583 4.340 -0.000 0.000 0.265 233 R C -0.402 175.940 176.300 0.070 0.000 0.921 233 R CA -0.117 56.020 56.100 0.061 0.000 1.054 233 R CB 1.881 32.213 30.300 0.054 0.000 1.340 233 R HN -0.094 nan 8.270 nan 0.000 0.551 234 V N 1.127 121.096 119.914 0.092 0.000 2.680 234 V HA 0.395 4.515 4.120 -0.000 0.000 0.309 234 V C -0.251 175.926 176.094 0.139 0.000 1.052 234 V CA -0.682 61.690 62.300 0.121 0.000 0.908 234 V CB 2.263 34.186 31.823 0.167 0.000 1.001 234 V HN -0.004 nan 8.190 nan 0.000 0.431 235 T N 3.936 118.566 114.554 0.126 0.000 2.797 235 T HA 0.415 4.765 4.350 -0.000 0.000 0.279 235 T C -1.172 173.641 174.700 0.190 0.000 0.991 235 T CA -0.251 61.925 62.100 0.127 0.000 0.979 235 T CB 1.120 70.005 68.868 0.029 0.000 0.943 235 T HN 0.683 nan 8.240 nan 0.000 0.444 236 W N 5.399 126.715 121.300 0.026 0.000 2.600 236 W HA 0.622 5.282 4.660 -0.000 0.000 0.325 236 W C -2.086 174.382 176.519 -0.085 0.000 1.034 236 W CA -1.450 55.907 57.345 0.021 0.000 1.226 236 W CB 0.656 30.208 29.460 0.154 0.000 1.379 236 W HN 0.520 nan 8.180 nan 0.000 0.466 237 I N 5.272 125.769 120.570 -0.123 0.000 2.389 237 I HA 0.061 4.231 4.170 -0.000 0.000 0.288 237 I C -0.140 175.831 176.117 -0.244 0.000 0.999 237 I CA -0.762 60.448 61.300 -0.149 0.000 1.129 237 I CB 2.012 39.912 38.000 -0.165 0.000 1.288 237 I HN 0.253 nan 8.210 nan 0.000 0.444 238 Q N 5.513 125.211 119.800 -0.169 0.000 2.406 238 Q HA 0.503 4.843 4.340 -0.000 0.000 0.242 238 Q C -0.423 175.405 176.000 -0.287 0.000 1.036 238 Q CA -0.331 55.291 55.803 -0.302 0.000 0.904 238 Q CB 1.244 29.696 28.738 -0.477 0.000 1.244 238 Q HN 0.725 nan 8.270 nan 0.000 0.478 239 A N 2.907 125.595 122.820 -0.221 0.000 2.409 239 A HA 0.345 4.665 4.320 -0.000 0.000 0.267 239 A C 0.892 178.504 177.584 0.047 0.000 1.127 239 A CA 0.218 52.206 52.037 -0.083 0.000 0.795 239 A CB 0.323 19.275 19.000 -0.080 0.000 1.061 239 A HN 0.942 nan 8.150 nan 0.000 0.502 240 S N 1.363 117.156 115.700 0.155 0.000 2.486 240 S HA 0.130 4.600 4.470 -0.000 0.000 0.220 240 S C 0.814 175.523 174.600 0.183 0.000 1.011 240 S CA 0.797 59.181 58.200 0.306 0.000 0.921 240 S CB -0.369 63.018 63.200 0.312 0.000 0.785 240 S HN 1.332 nan 8.310 nan 0.000 0.517 241 T N -1.563 113.052 114.554 0.102 0.000 2.906 241 T HA 0.619 4.969 4.350 -0.000 0.000 0.295 241 T C 0.474 175.195 174.700 0.035 0.000 1.075 241 T CA -0.753 61.386 62.100 0.066 0.000 1.005 241 T CB 1.388 70.285 68.868 0.048 0.000 1.136 241 T HN -0.021 nan 8.240 nan 0.000 0.498 242 L N 1.430 122.666 121.223 0.023 0.000 2.042 242 L HA 0.115 4.455 4.340 -0.000 0.000 0.210 242 L C 2.575 179.444 176.870 -0.002 0.000 1.076 242 L CA 2.042 56.885 54.840 0.005 0.000 0.749 242 L CB -0.873 41.185 42.059 -0.001 0.000 0.893 242 L HN 0.926 nan 8.230 nan 0.000 0.432 243 K N -0.418 119.983 120.400 0.002 0.000 2.063 243 K HA -0.228 4.092 4.320 -0.000 0.000 0.208 243 K C 1.906 178.503 176.600 -0.004 0.000 1.048 243 K CA 1.989 58.275 56.287 -0.003 0.000 0.928 243 K CB -0.168 32.332 32.500 0.001 0.000 0.713 243 K HN 0.531 nan 8.250 nan 0.000 0.442 244 E N 0.548 120.749 120.200 0.002 0.000 2.077 244 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 244 E C 2.065 178.656 176.600 -0.015 0.000 0.989 244 E CA 1.180 57.579 56.400 -0.002 0.000 0.800 244 E CB -0.174 29.530 29.700 0.007 0.000 0.746 244 E HN 0.231 nan 8.360 nan 0.000 0.452 245 L N 1.187 122.398 121.223 -0.020 0.000 2.017 245 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 245 L C 2.069 178.919 176.870 -0.033 0.000 1.073 245 L CA 1.618 56.435 54.840 -0.037 0.000 0.745 245 L CB -0.351 41.684 42.059 -0.040 0.000 0.894 245 L HN 0.102 nan 8.230 nan 0.000 0.432 246 L N -0.725 120.482 121.223 -0.027 0.000 2.093 246 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 246 L C 2.211 179.065 176.870 -0.027 0.000 1.085 246 L CA 1.154 55.978 54.840 -0.027 0.000 0.755 246 L CB -0.911 41.134 42.059 -0.024 0.000 0.904 246 L HN 0.296 nan 8.230 nan 0.000 0.435 247 D N 0.315 120.702 120.400 -0.022 0.000 2.097 247 D HA -0.113 4.527 4.640 -0.000 0.000 0.197 247 D C 2.439 178.725 176.300 -0.023 0.000 0.984 247 D CA 1.037 55.022 54.000 -0.024 0.000 0.826 247 D CB -0.174 40.615 40.800 -0.017 0.000 0.973 247 D HN 0.203 nan 8.370 nan 0.000 0.460 248 L N 0.620 121.839 121.223 -0.007 0.000 2.042 248 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 248 L C 2.329 179.213 176.870 0.023 0.000 1.076 248 L CA 1.030 55.887 54.840 0.029 0.000 0.749 248 L CB -0.285 41.781 42.059 0.011 0.000 0.893 248 L HN -0.063 nan 8.230 nan 0.000 0.432 249 K N -0.019 120.374 120.400 -0.012 0.000 2.148 249 K HA -0.078 4.242 4.320 -0.000 0.000 0.204 249 K C 2.111 178.693 176.600 -0.031 0.000 1.050 249 K CA 1.364 57.639 56.287 -0.019 0.000 0.942 249 K CB -0.293 32.187 32.500 -0.034 0.000 0.724 249 K HN 0.310 nan 8.250 nan 0.000 0.446 250 A N 1.157 123.950 122.820 -0.045 0.000 1.898 250 A HA -0.140 4.180 4.320 -0.000 0.000 0.214 250 A C 2.079 179.598 177.584 -0.107 0.000 1.183 250 A CA 1.000 53.000 52.037 -0.062 0.000 0.622 250 A CB -0.254 18.713 19.000 -0.055 0.000 0.824 250 A HN 0.344 nan 8.150 nan 0.000 0.444 251 Q N -1.006 118.699 119.800 -0.159 0.000 2.187 251 Q HA -0.029 4.311 4.340 -0.000 0.000 0.199 251 Q C -0.144 175.492 176.000 -0.606 0.000 0.957 251 Q CA 0.870 56.457 55.803 -0.361 0.000 0.857 251 Q CB 0.113 28.617 28.738 -0.388 0.000 0.929 251 Q HN 0.722 nan 8.270 nan 0.000 0.453 252 H N -1.136 117.917 119.070 -0.030 0.000 2.488 252 H HA 0.194 4.750 4.556 0.000 0.000 0.237 252 H C -2.102 173.207 175.328 -0.032 0.000 1.395 252 H CA -1.868 54.164 56.048 -0.027 0.000 1.491 252 H CB 1.219 30.962 29.762 -0.032 0.000 1.567 252 H HN 0.058 nan 8.280 nan 0.000 0.508 253 P HA -0.183 nan 4.420 nan 0.000 0.219 253 P C 1.749 179.062 177.300 0.021 0.000 1.146 253 P CA 1.118 64.224 63.100 0.010 0.000 0.808 253 P CB 0.483 32.180 31.700 -0.006 0.000 0.779 254 E N 0.144 120.374 120.200 0.050 0.000 2.285 254 E HA -0.030 4.320 4.350 -0.000 0.000 0.194 254 E C 0.791 177.416 176.600 0.042 0.000 0.997 254 E CA 0.316 56.748 56.400 0.053 0.000 0.845 254 E CB -1.136 28.608 29.700 0.072 0.000 0.782 254 E HN 0.034 nan 8.360 nan 0.000 0.491 255 A N 1.917 124.756 122.820 0.032 0.000 2.561 255 A HA 0.051 4.371 4.320 -0.000 0.000 0.234 255 A C 0.285 177.814 177.584 -0.090 0.000 1.055 255 A CA 0.133 52.154 52.037 -0.027 0.000 0.756 255 A CB 0.209 19.184 19.000 -0.040 0.000 0.986 255 A HN 0.003 nan 8.150 nan 0.000 0.505 256 K N 1.940 122.245 120.400 -0.159 0.000 2.213 256 K HA 0.415 4.735 4.320 -0.000 0.000 0.270 256 K C -0.909 175.499 176.600 -0.320 0.000 1.002 256 K CA -0.532 55.572 56.287 -0.304 0.000 0.868 256 K CB 1.042 33.174 32.500 -0.613 0.000 1.093 256 K HN 0.545 nan 8.250 nan 0.000 0.454 257 L N 3.006 124.062 121.223 -0.279 0.000 2.397 257 L HA 0.293 4.633 4.340 -0.000 0.000 0.271 257 L C -0.033 176.663 176.870 -0.290 0.000 1.148 257 L CA -0.117 54.560 54.840 -0.272 0.000 0.825 257 L CB 0.996 42.941 42.059 -0.190 0.000 1.117 257 L HN 0.196 nan 8.230 nan 0.000 0.456 258 V N 3.832 123.553 119.914 -0.320 0.000 2.733 258 V HA 0.466 4.586 4.120 -0.000 0.000 0.306 258 V C 0.146 176.142 176.094 -0.164 0.000 1.084 258 V CA -0.419 61.736 62.300 -0.241 0.000 0.905 258 V CB 2.011 33.660 31.823 -0.289 0.000 1.010 258 V HN 0.587 nan 8.190 nan 0.000 0.424 259 V N 3.168 123.045 119.914 -0.061 0.000 3.669 259 V HA 0.297 4.417 4.120 -0.000 0.000 0.203 259 V C 2.017 178.142 176.094 0.051 0.000 1.149 259 V CA 1.220 63.513 62.300 -0.012 0.000 1.346 259 V CB -0.152 31.658 31.823 -0.021 0.000 1.510 259 V HN 0.856 nan 8.190 nan 0.000 0.506 260 G N -0.578 108.249 108.800 0.045 0.000 2.623 260 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.214 260 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.214 260 G C 0.786 175.743 174.900 0.096 0.000 1.138 260 G CA 0.873 46.016 45.100 0.072 0.000 0.794 260 G HN 0.635 nan 8.290 nan 0.000 0.535 261 N N -0.504 118.247 118.700 0.086 0.000 2.828 261 N HA -0.235 4.505 4.740 -0.000 0.000 0.248 261 N C 1.476 177.051 175.510 0.109 0.000 1.044 261 N CA 1.872 54.985 53.050 0.105 0.000 0.851 261 N CB -1.679 36.899 38.487 0.151 0.000 1.136 261 N HN 0.408 nan 8.380 nan 0.000 0.572 262 T N -4.116 110.497 114.554 0.098 0.000 3.072 262 T HA 0.021 4.371 4.350 -0.000 0.000 0.266 262 T C 1.339 176.100 174.700 0.102 0.000 1.127 262 T CA 1.391 63.554 62.100 0.106 0.000 1.107 262 T CB 0.181 69.112 68.868 0.106 0.000 0.910 262 T HN 0.404 nan 8.240 nan 0.000 0.513 263 E N 0.752 121.006 120.200 0.090 0.000 2.207 263 E HA 0.200 4.550 4.350 -0.000 0.000 0.197 263 E C 1.922 178.589 176.600 0.112 0.000 0.914 263 E CA -0.026 56.425 56.400 0.086 0.000 0.914 263 E CB -0.383 29.352 29.700 0.058 0.000 0.893 263 E HN 0.277 nan 8.360 nan 0.000 0.479 264 I N 1.567 122.193 120.570 0.092 0.000 2.264 264 I HA -0.101 4.069 4.170 -0.000 0.000 0.248 264 I C 2.293 178.531 176.117 0.202 0.000 1.111 264 I CA 1.677 63.056 61.300 0.132 0.000 1.382 264 I CB -1.599 36.423 38.000 0.037 0.000 1.060 264 I HN 0.335 nan 8.210 nan 0.000 0.418 265 G N 1.240 110.144 108.800 0.174 0.000 2.442 265 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.219 265 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.219 265 G C 1.628 176.667 174.900 0.232 0.000 1.141 265 G CA 0.312 45.524 45.100 0.186 0.000 0.763 265 G HN 0.212 nan 8.290 nan 0.000 0.554 266 I N 0.935 121.655 120.570 0.251 0.000 2.233 266 I HA -0.053 4.117 4.170 -0.000 0.000 0.243 266 I C 2.564 178.886 176.117 0.342 0.000 1.093 266 I CA 0.932 62.443 61.300 0.352 0.000 1.380 266 I CB -1.227 36.894 38.000 0.201 0.000 1.067 266 I HN 0.322 nan 8.210 nan 0.000 0.413 267 E N 0.158 120.511 120.200 0.254 0.000 2.085 267 E HA -0.222 4.128 4.350 -0.000 0.000 0.194 267 E C 2.265 178.975 176.600 0.184 0.000 0.994 267 E CA 1.223 57.766 56.400 0.238 0.000 0.801 267 E CB -0.050 29.831 29.700 0.301 0.000 0.743 267 E HN 0.318 nan 8.360 nan 0.000 0.453 268 M N 0.528 120.243 119.600 0.190 0.000 2.077 268 M HA -0.126 4.354 4.480 -0.000 0.000 0.261 268 M C 2.301 178.606 176.300 0.009 0.000 1.070 268 M CA 1.412 56.768 55.300 0.093 0.000 1.125 268 M CB -0.730 31.949 32.600 0.132 0.000 1.339 268 M HN -0.100 nan 8.290 nan 0.000 0.409 269 K N 0.170 120.576 120.400 0.010 0.000 2.076 269 K HA -0.031 4.289 4.320 -0.000 0.000 0.204 269 K C 1.421 177.778 176.600 -0.404 0.000 1.051 269 K CA 1.506 57.654 56.287 -0.233 0.000 0.949 269 K CB -0.144 32.153 32.500 -0.338 0.000 0.726 269 K HN 0.217 nan 8.250 nan 0.000 0.443 270 F N -0.328 119.644 119.950 0.036 0.000 2.717 270 F HA 0.289 4.816 4.527 -0.000 0.000 0.297 270 F C 1.155 176.971 175.800 0.026 0.000 1.113 270 F CA -0.064 57.957 58.000 0.036 0.000 1.319 270 F CB 0.557 39.596 39.000 0.064 0.000 1.097 270 F HN -0.205 nan 8.300 nan 0.000 0.595 271 K N 0.184 120.694 120.400 0.184 0.000 2.399 271 K HA 0.174 4.494 4.320 -0.000 0.000 0.204 271 K C -0.202 176.418 176.600 0.032 0.000 1.023 271 K CA -0.007 56.353 56.287 0.122 0.000 1.127 271 K CB -0.422 32.165 32.500 0.145 0.000 0.856 271 K HN 0.100 nan 8.250 nan 0.000 0.514 272 N N 2.488 121.159 118.700 -0.050 0.000 2.725 272 N HA -0.169 4.571 4.740 -0.000 0.000 0.251 272 N C -0.655 174.795 175.510 -0.101 0.000 1.031 272 N CA 0.886 53.860 53.050 -0.126 0.000 0.720 272 N CB -0.558 37.837 38.487 -0.153 0.000 0.930 272 N HN 0.316 nan 8.380 nan 0.000 0.543 273 Q N 0.298 120.019 119.800 -0.132 0.000 2.235 273 Q HA 0.614 4.954 4.340 -0.000 0.000 0.256 273 Q C -0.058 175.679 176.000 -0.438 0.000 0.951 273 Q CA -0.594 55.020 55.803 -0.316 0.000 0.890 273 Q CB 2.252 30.784 28.738 -0.343 0.000 1.279 273 Q HN 0.352 nan 8.270 nan 0.000 0.444 274 L N 2.353 123.212 121.223 -0.606 0.000 2.441 274 L HA 0.485 4.825 4.340 -0.000 0.000 0.270 274 L C -1.835 174.718 176.870 -0.528 0.000 0.973 274 L CA -0.241 54.345 54.840 -0.423 0.000 0.842 274 L CB 1.000 42.953 42.059 -0.178 0.000 1.239 274 L HN 0.450 nan 8.230 nan 0.000 0.406 275 F N 7.182 127.149 119.950 0.029 0.000 2.311 275 F HA 0.465 4.992 4.527 -0.000 0.000 0.371 275 F C -1.204 174.606 175.800 0.017 0.000 1.083 275 F CA -1.395 56.614 58.000 0.016 0.000 1.113 275 F CB 1.022 40.025 39.000 0.004 0.000 1.349 275 F HN 0.455 nan 8.300 nan 0.000 0.470 276 P HA -0.206 nan 4.420 nan 0.000 0.218 276 P C 0.201 177.542 177.300 0.068 0.000 1.146 276 P CA 1.383 64.531 63.100 0.080 0.000 0.813 276 P CB 0.626 32.355 31.700 0.047 0.000 0.778 277 M N -0.398 119.239 119.600 0.061 0.000 2.327 277 M HA 0.464 4.944 4.480 -0.000 0.000 0.298 277 M C -1.653 174.617 176.300 -0.049 0.000 1.065 277 M CA -0.932 54.357 55.300 -0.017 0.000 0.916 277 M CB 2.125 34.658 32.600 -0.111 0.000 1.630 277 M HN -0.330 nan 8.290 nan 0.000 0.442 278 I N 5.311 125.811 120.570 -0.117 0.000 2.569 278 I HA 0.517 4.687 4.170 -0.000 0.000 0.296 278 I C -1.065 174.754 176.117 -0.497 0.000 1.028 278 I CA -0.828 60.287 61.300 -0.308 0.000 1.082 278 I CB 2.425 40.204 38.000 -0.368 0.000 1.264 278 I HN 0.681 nan 8.210 nan 0.000 0.429 279 I N 5.105 125.365 120.570 -0.517 0.000 2.418 279 I HA 0.283 4.453 4.170 -0.000 0.000 0.287 279 I C -0.725 175.041 176.117 -0.584 0.000 1.008 279 I CA -0.501 60.503 61.300 -0.493 0.000 1.104 279 I CB 1.948 39.780 38.000 -0.280 0.000 1.264 279 I HN 0.516 nan 8.210 nan 0.000 0.438 280 C N 9.167 128.066 119.300 -0.668 0.000 2.251 280 C HA 0.513 4.973 4.460 -0.000 0.000 0.323 280 C C -1.464 173.347 174.990 -0.299 0.000 1.241 280 C CA -1.544 57.179 59.018 -0.491 0.000 1.601 280 C CB 0.600 28.089 27.740 -0.419 0.000 2.251 280 C HN 0.620 nan 8.230 nan 0.000 0.488 281 P HA 0.138 nan 4.420 nan 0.000 0.262 281 P C 1.109 178.389 177.300 -0.033 0.000 1.304 281 P CA 0.474 63.509 63.100 -0.108 0.000 0.859 281 P CB 0.187 31.834 31.700 -0.089 0.000 1.310 282 A N 0.021 122.816 122.820 -0.042 0.000 1.997 282 A HA -0.174 4.146 4.320 -0.000 0.000 0.221 282 A C 1.772 179.493 177.584 0.229 0.000 1.172 282 A CA 1.384 53.459 52.037 0.064 0.000 0.645 282 A CB -1.705 17.341 19.000 0.077 0.000 0.813 282 A HN 0.209 nan 8.150 nan 0.000 0.454 283 W N -0.165 121.166 121.300 0.052 0.000 2.519 283 W HA 0.216 4.876 4.660 -0.000 0.000 0.266 283 W C 0.577 177.113 176.519 0.027 0.000 1.253 283 W CA -0.740 56.637 57.345 0.053 0.000 1.274 283 W CB -0.877 28.627 29.460 0.073 0.000 1.114 283 W HN 0.134 nan 8.180 nan 0.000 0.596 284 I N 4.622 125.329 120.570 0.229 0.000 2.664 284 I HA -0.117 4.053 4.170 -0.000 0.000 0.284 284 I C -0.522 175.641 176.117 0.076 0.000 1.154 284 I CA -0.846 60.529 61.300 0.124 0.000 1.402 284 I CB 0.583 38.625 38.000 0.069 0.000 1.395 284 I HN -0.308 nan 8.210 nan 0.000 0.545 285 P HA -0.204 nan 4.420 nan 0.000 0.216 285 P C 1.053 178.353 177.300 0.000 0.000 1.153 285 P CA 1.532 64.644 63.100 0.020 0.000 0.858 285 P CB 0.278 31.985 31.700 0.011 0.000 0.789 286 E N -0.079 120.120 120.200 -0.001 0.000 2.153 286 E HA -0.090 4.260 4.350 -0.000 0.000 0.194 286 E C 2.033 178.620 176.600 -0.022 0.000 0.988 286 E CA 0.809 57.198 56.400 -0.019 0.000 0.811 286 E CB -0.855 28.834 29.700 -0.019 0.000 0.746 286 E HN 0.270 nan 8.360 nan 0.000 0.466 287 L N 0.695 121.913 121.223 -0.008 0.000 2.599 287 L HA 0.043 4.383 4.340 -0.000 0.000 0.230 287 L C 1.103 177.969 176.870 -0.007 0.000 1.141 287 L CA 0.344 55.178 54.840 -0.010 0.000 0.877 287 L CB 0.027 42.083 42.059 -0.004 0.000 1.009 287 L HN 0.156 nan 8.230 nan 0.000 0.447 288 N N -0.338 118.358 118.700 -0.007 0.000 2.159 288 N HA 0.180 4.920 4.740 -0.000 0.000 0.217 288 N C 0.403 175.894 175.510 -0.031 0.000 1.223 288 N CA 0.020 53.063 53.050 -0.011 0.000 0.896 288 N CB 1.146 39.632 38.487 -0.003 0.000 1.064 288 N HN 0.079 nan 8.380 nan 0.000 0.518 289 A N 1.116 123.907 122.820 -0.047 0.000 2.388 289 A HA 0.466 4.786 4.320 -0.000 0.000 0.257 289 A C 0.161 177.660 177.584 -0.141 0.000 1.095 289 A CA 0.051 52.039 52.037 -0.082 0.000 0.791 289 A CB 0.640 19.592 19.000 -0.080 0.000 1.029 289 A HN -0.046 nan 8.150 nan 0.000 0.489 290 V N 3.191 122.988 119.914 -0.195 0.000 2.407 290 V HA 0.384 4.504 4.120 -0.000 0.000 0.291 290 V C -0.372 175.497 176.094 -0.376 0.000 1.018 290 V CA -0.372 61.694 62.300 -0.391 0.000 0.842 290 V CB 1.212 32.816 31.823 -0.365 0.000 0.996 290 V HN 1.001 nan 8.190 nan 0.000 0.426 291 E N 3.596 123.508 120.200 -0.480 0.000 2.234 291 E HA 0.480 4.830 4.350 -0.000 0.000 0.266 291 E C -1.163 175.172 176.600 -0.443 0.000 0.877 291 E CA -0.809 55.394 56.400 -0.329 0.000 0.758 291 E CB 1.975 31.552 29.700 -0.204 0.000 1.170 291 E HN 0.665 nan 8.360 nan 0.000 0.415 292 H N 2.128 121.103 119.070 -0.160 0.000 2.741 292 H HA 0.299 4.855 4.556 -0.000 0.000 0.282 292 H C 0.145 175.456 175.328 -0.028 0.000 1.122 292 H CA -0.320 55.674 56.048 -0.091 0.000 1.293 292 H CB 1.198 30.939 29.762 -0.035 0.000 1.415 292 H HN 0.659 nan 8.280 nan 0.000 0.472 293 G N 2.691 111.513 108.800 0.037 0.000 2.753 293 G HA2 0.227 4.187 3.960 -0.000 0.000 0.285 293 G HA3 0.227 4.187 3.960 -0.000 0.000 0.285 293 G C -1.578 173.417 174.900 0.159 0.000 1.344 293 G CA -1.366 43.766 45.100 0.054 0.000 1.050 293 G HN 0.243 nan 8.290 nan 0.000 0.532 294 P HA 0.024 nan 4.420 nan 0.000 0.219 294 P C 1.271 178.698 177.300 0.211 0.000 1.150 294 P CA 0.905 64.086 63.100 0.136 0.000 0.814 294 P CB 0.407 32.141 31.700 0.057 0.000 0.787 295 E N -1.031 119.244 120.200 0.126 0.000 2.415 295 E HA 0.300 4.650 4.350 -0.000 0.000 0.197 295 E C 1.282 177.849 176.600 -0.055 0.000 1.007 295 E CA 0.531 56.984 56.400 0.088 0.000 0.890 295 E CB 0.336 30.034 29.700 -0.002 0.000 0.891 295 E HN 0.211 nan 8.360 nan 0.000 0.496 296 G N 0.422 109.063 108.800 -0.264 0.000 2.323 296 G HA2 0.332 4.292 3.960 -0.000 0.000 0.291 296 G HA3 0.332 4.292 3.960 -0.000 0.000 0.291 296 G C -1.565 173.039 174.900 -0.493 0.000 1.278 296 G CA -0.981 43.660 45.100 -0.764 0.000 0.860 296 G HN -0.010 nan 8.290 nan 0.000 0.504 297 I N 1.444 121.765 120.570 -0.414 0.000 2.354 297 I HA 0.496 4.666 4.170 -0.000 0.000 0.292 297 I C 0.350 176.144 176.117 -0.539 0.000 0.989 297 I CA -0.635 60.343 61.300 -0.536 0.000 1.188 297 I CB 1.804 39.400 38.000 -0.674 0.000 1.342 297 I HN 0.395 nan 8.210 nan 0.000 0.457 298 S N 6.288 121.628 115.700 -0.600 0.000 2.508 298 S HA 0.670 5.140 4.470 -0.000 0.000 0.284 298 S C -0.916 173.296 174.600 -0.646 0.000 1.192 298 S CA -0.312 57.620 58.200 -0.447 0.000 1.070 298 S CB 0.389 63.413 63.200 -0.294 0.000 1.004 298 S HN 0.323 nan 8.310 nan 0.000 0.493 299 F N 2.048 121.858 119.950 -0.234 0.000 2.520 299 F HA 0.539 5.066 4.527 -0.000 0.000 0.322 299 F C 1.063 176.762 175.800 -0.168 0.000 1.103 299 F CA -0.741 57.136 58.000 -0.206 0.000 0.926 299 F CB 1.624 40.497 39.000 -0.211 0.000 1.154 299 F HN 0.727 nan 8.300 nan 0.000 0.453 300 G N 0.726 109.544 108.800 0.030 0.000 2.491 300 G HA2 0.347 4.307 3.960 -0.000 0.000 0.238 300 G HA3 0.347 4.307 3.960 -0.000 0.000 0.238 300 G C 0.819 175.718 174.900 -0.002 0.000 1.277 300 G CA 0.005 45.099 45.100 -0.010 0.000 0.851 300 G HN 0.967 nan 8.290 nan 0.000 0.573 301 A N 1.746 124.550 122.820 -0.027 0.000 2.076 301 A HA 0.146 4.466 4.320 -0.000 0.000 0.220 301 A C 2.501 180.066 177.584 -0.031 0.000 1.160 301 A CA 2.196 54.212 52.037 -0.035 0.000 0.653 301 A CB -0.250 18.727 19.000 -0.038 0.000 0.801 301 A HN 1.302 nan 8.150 nan 0.000 0.455 302 A N -1.538 121.268 122.820 -0.024 0.000 2.218 302 A HA 0.246 4.566 4.320 -0.000 0.000 0.209 302 A C 0.914 178.477 177.584 -0.035 0.000 1.168 302 A CA 0.080 52.103 52.037 -0.023 0.000 0.804 302 A CB -0.871 18.125 19.000 -0.006 0.000 0.834 302 A HN 0.463 nan 8.150 nan 0.000 0.482 303 C N 1.497 120.776 119.300 -0.034 0.000 2.596 303 C HA 0.416 4.876 4.460 -0.000 0.000 0.414 303 C C 1.410 176.334 174.990 -0.110 0.000 1.396 303 C CA -0.447 58.539 59.018 -0.052 0.000 1.698 303 C CB -1.061 26.684 27.740 0.009 0.000 2.572 303 C HN 0.644 nan 8.230 nan 0.000 0.604 304 A N 4.030 126.765 122.820 -0.141 0.000 2.386 304 A HA 0.389 4.709 4.320 -0.000 0.000 0.248 304 A C 1.120 178.574 177.584 -0.217 0.000 1.082 304 A CA -0.373 51.560 52.037 -0.173 0.000 0.789 304 A CB 0.161 19.029 19.000 -0.221 0.000 1.025 304 A HN 0.948 nan 8.150 nan 0.000 0.490 305 L N 1.581 122.663 121.223 -0.235 0.000 2.191 305 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 305 L C 2.763 179.452 176.870 -0.301 0.000 1.103 305 L CA 1.731 56.379 54.840 -0.320 0.000 0.769 305 L CB -0.565 41.243 42.059 -0.419 0.000 0.908 305 L HN 0.959 nan 8.230 nan 0.000 0.438 306 S N -1.387 114.168 115.700 -0.241 0.000 2.383 306 S HA -0.141 4.329 4.470 -0.000 0.000 0.227 306 S C 2.089 176.575 174.600 -0.190 0.000 1.026 306 S CA 1.255 59.331 58.200 -0.205 0.000 0.981 306 S CB -0.334 62.762 63.200 -0.173 0.000 0.818 306 S HN 0.325 nan 8.310 nan 0.000 0.472 307 S N 1.607 117.193 115.700 -0.189 0.000 2.355 307 S HA -0.003 4.467 4.470 -0.000 0.000 0.222 307 S C 2.016 176.534 174.600 -0.136 0.000 1.031 307 S CA 1.184 59.303 58.200 -0.134 0.000 0.993 307 S CB -0.628 62.509 63.200 -0.106 0.000 0.859 307 S HN 0.424 nan 8.310 nan 0.000 0.453 308 V N 1.938 121.672 119.914 -0.301 0.000 2.287 308 V HA -0.214 3.906 4.120 -0.000 0.000 0.248 308 V C 2.486 178.368 176.094 -0.353 0.000 1.053 308 V CA 2.036 63.985 62.300 -0.585 0.000 1.027 308 V CB -0.652 30.670 31.823 -0.835 0.000 0.646 308 V HN 0.529 nan 8.190 nan 0.000 0.447 309 E N 0.340 120.367 120.200 -0.288 0.000 2.058 309 E HA -0.303 4.047 4.350 -0.000 0.000 0.194 309 E C 2.343 178.855 176.600 -0.146 0.000 0.997 309 E CA 1.813 58.081 56.400 -0.220 0.000 0.801 309 E CB -0.130 29.436 29.700 -0.223 0.000 0.746 309 E HN 0.574 nan 8.360 nan 0.000 0.450 310 K N -0.384 119.943 120.400 -0.121 0.000 2.026 310 K HA -0.124 4.196 4.320 -0.000 0.000 0.208 310 K C 2.090 178.665 176.600 -0.041 0.000 1.048 310 K CA 1.849 58.090 56.287 -0.077 0.000 0.929 310 K CB -0.104 32.354 32.500 -0.070 0.000 0.713 310 K HN 0.089 nan 8.250 nan 0.000 0.439 311 T N 1.998 116.548 114.554 -0.006 0.000 2.746 311 T HA -0.110 4.240 4.350 -0.000 0.000 0.267 311 T C 1.786 176.487 174.700 0.002 0.000 1.039 311 T CA 1.338 63.470 62.100 0.054 0.000 1.142 311 T CB -0.111 68.880 68.868 0.205 0.000 0.866 311 T HN 0.168 nan 8.240 nan 0.000 0.444 312 L N 0.262 121.444 121.223 -0.068 0.000 2.093 312 L HA 0.011 4.351 4.340 -0.000 0.000 0.208 312 L C 2.492 179.325 176.870 -0.061 0.000 1.085 312 L CA 0.907 55.644 54.840 -0.172 0.000 0.755 312 L CB -0.613 41.308 42.059 -0.230 0.000 0.904 312 L HN 0.251 nan 8.230 nan 0.000 0.435 313 L N -0.218 120.976 121.223 -0.047 0.000 2.042 313 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 313 L C 2.581 179.453 176.870 0.005 0.000 1.076 313 L CA 1.453 56.281 54.840 -0.019 0.000 0.749 313 L CB -0.427 41.608 42.059 -0.040 0.000 0.893 313 L HN 0.306 nan 8.230 nan 0.000 0.432 314 E N -0.086 120.114 120.200 -0.001 0.000 2.110 314 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 314 E C 2.260 178.882 176.600 0.036 0.000 0.988 314 E CA 1.088 57.494 56.400 0.009 0.000 0.804 314 E CB -0.181 29.519 29.700 0.000 0.000 0.745 314 E HN 0.514 nan 8.360 nan 0.000 0.458 315 A N 1.024 123.880 122.820 0.059 0.000 1.930 315 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 315 A C 2.468 180.162 177.584 0.184 0.000 1.175 315 A CA 0.903 53.023 52.037 0.138 0.000 0.627 315 A CB -0.462 18.631 19.000 0.155 0.000 0.815 315 A HN 0.112 nan 8.150 nan 0.000 0.443 316 V N -0.357 119.653 119.914 0.160 0.000 2.515 316 V HA -0.184 3.936 4.120 -0.000 0.000 0.250 316 V C 2.925 179.073 176.094 0.089 0.000 1.058 316 V CA 1.744 64.136 62.300 0.153 0.000 1.064 316 V CB -0.855 31.043 31.823 0.125 0.000 0.675 316 V HN 0.602 nan 8.190 nan 0.000 0.461 317 A N -0.234 122.622 122.820 0.060 0.000 1.970 317 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 317 A C 2.242 179.843 177.584 0.028 0.000 1.170 317 A CA 1.345 53.404 52.037 0.036 0.000 0.645 317 A CB -0.179 18.833 19.000 0.020 0.000 0.816 317 A HN 0.553 nan 8.150 nan 0.000 0.447 318 K N -0.865 119.554 120.400 0.032 0.000 2.242 318 K HA 0.291 4.611 4.320 -0.000 0.000 0.200 318 K C 0.033 176.641 176.600 0.013 0.000 1.050 318 K CA 0.093 56.389 56.287 0.014 0.000 0.981 318 K CB 0.011 32.511 32.500 0.000 0.000 0.795 318 K HN 0.350 nan 8.250 nan 0.000 0.477 319 L N 2.117 123.364 121.223 0.040 0.000 2.399 319 L HA 0.315 4.655 4.340 -0.000 0.000 0.265 319 L C -2.286 174.587 176.870 0.005 0.000 1.089 319 L CA -2.525 52.324 54.840 0.014 0.000 0.802 319 L CB 0.343 42.429 42.059 0.045 0.000 1.180 319 L HN -0.216 nan 8.230 nan 0.000 0.454 320 P HA -0.017 nan 4.420 nan 0.000 0.265 320 P C 0.760 178.053 177.300 -0.012 0.000 1.193 320 P CA -0.065 63.020 63.100 -0.026 0.000 0.765 320 P CB 0.585 32.253 31.700 -0.053 0.000 0.823 321 T N -0.386 114.173 114.554 0.008 0.000 2.778 321 T HA -0.275 4.075 4.350 -0.000 0.000 0.269 321 T C 1.585 176.294 174.700 0.015 0.000 1.050 321 T CA 1.269 63.385 62.100 0.026 0.000 1.137 321 T CB -0.613 68.279 68.868 0.040 0.000 0.860 321 T HN 0.252 nan 8.240 nan 0.000 0.468 322 Q N 0.994 120.792 119.800 -0.003 0.000 2.500 322 Q HA 0.080 4.420 4.340 -0.000 0.000 0.213 322 Q C 1.832 177.782 176.000 -0.084 0.000 0.974 322 Q CA 0.968 56.754 55.803 -0.028 0.000 0.918 322 Q CB -0.153 28.564 28.738 -0.035 0.000 0.980 322 Q HN 0.522 nan 8.270 nan 0.000 0.505 323 K N -1.342 119.002 120.400 -0.093 0.000 2.354 323 K HA 0.114 4.434 4.320 -0.000 0.000 0.194 323 K C 0.813 177.303 176.600 -0.185 0.000 1.038 323 K CA 1.005 57.205 56.287 -0.144 0.000 1.052 323 K CB 0.896 33.270 32.500 -0.211 0.000 0.861 323 K HN 0.258 nan 8.250 nan 0.000 0.535 324 T N -1.664 112.814 114.554 -0.127 0.000 3.215 324 T HA 0.211 4.561 4.350 -0.000 0.000 0.271 324 T C 1.001 175.637 174.700 -0.106 0.000 1.012 324 T CA -0.343 61.660 62.100 -0.162 0.000 0.899 324 T CB 0.438 69.380 68.868 0.123 0.000 1.089 324 T HN -0.111 nan 8.240 nan 0.000 0.552 325 E N 1.411 121.547 120.200 -0.106 0.000 2.058 325 E HA -0.088 4.262 4.350 -0.000 0.000 0.194 325 E C 2.175 178.729 176.600 -0.077 0.000 0.997 325 E CA 1.078 57.482 56.400 0.006 0.000 0.801 325 E CB -0.280 29.467 29.700 0.078 0.000 0.746 325 E HN 0.469 nan 8.360 nan 0.000 0.450 326 V N 1.165 120.879 119.914 -0.335 0.000 2.358 326 V HA -0.208 3.912 4.120 -0.000 0.000 0.246 326 V C 2.209 178.183 176.094 -0.200 0.000 1.047 326 V CA 1.356 63.282 62.300 -0.623 0.000 1.035 326 V CB -0.637 30.807 31.823 -0.631 0.000 0.658 326 V HN 0.080 nan 8.190 nan 0.000 0.452 327 F N 0.811 120.675 119.950 -0.144 0.000 2.161 327 F HA -0.155 4.372 4.527 -0.000 0.000 0.300 327 F C 2.568 178.331 175.800 -0.062 0.000 1.089 327 F CA 1.543 59.500 58.000 -0.072 0.000 1.282 327 F CB -1.092 37.908 39.000 0.001 0.000 1.010 327 F HN 0.071 nan 8.300 nan 0.000 0.485 328 R N 0.243 120.836 120.500 0.155 0.000 2.081 328 R HA -0.061 4.279 4.340 -0.000 0.000 0.235 328 R C 2.575 178.910 176.300 0.059 0.000 1.131 328 R CA 1.321 57.478 56.100 0.095 0.000 0.960 328 R CB -1.172 29.184 30.300 0.094 0.000 0.856 328 R HN 0.322 nan 8.270 nan 0.000 0.436 329 G N -0.780 108.060 108.800 0.068 0.000 2.418 329 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.217 329 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.217 329 G C 1.382 176.288 174.900 0.009 0.000 1.158 329 G CA 0.973 46.136 45.100 0.105 0.000 0.771 329 G HN 0.216 nan 8.290 nan 0.000 0.545 330 V N 0.994 120.889 119.914 -0.032 0.000 2.343 330 V HA -0.128 3.992 4.120 -0.000 0.000 0.247 330 V C 2.910 178.950 176.094 -0.090 0.000 1.051 330 V CA 1.437 63.689 62.300 -0.081 0.000 1.036 330 V CB -0.462 31.332 31.823 -0.048 0.000 0.654 330 V HN 0.337 nan 8.190 nan 0.000 0.451 331 L N -0.545 120.642 121.223 -0.059 0.000 2.083 331 L HA -0.139 4.201 4.340 -0.000 0.000 0.209 331 L C 2.747 179.569 176.870 -0.080 0.000 1.083 331 L CA 1.298 56.089 54.840 -0.082 0.000 0.752 331 L CB -0.593 41.439 42.059 -0.045 0.000 0.899 331 L HN 0.308 nan 8.230 nan 0.000 0.433 332 E N -0.062 120.114 120.200 -0.039 0.000 2.110 332 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 332 E C 2.257 178.862 176.600 0.008 0.000 0.988 332 E CA 1.005 57.397 56.400 -0.012 0.000 0.804 332 E CB 0.001 29.693 29.700 -0.013 0.000 0.745 332 E HN 0.475 nan 8.360 nan 0.000 0.458 333 Q N -0.120 119.675 119.800 -0.008 0.000 2.172 333 Q HA -0.003 4.337 4.340 -0.000 0.000 0.200 333 Q C 2.396 178.459 176.000 0.105 0.000 0.964 333 Q CA 0.514 56.349 55.803 0.053 0.000 0.855 333 Q CB -0.071 28.674 28.738 0.011 0.000 0.918 333 Q HN 0.340 nan 8.270 nan 0.000 0.444 334 L N 0.014 121.211 121.223 -0.042 0.000 2.395 334 L HA -0.038 4.302 4.340 -0.000 0.000 0.218 334 L C 2.491 179.270 176.870 -0.152 0.000 1.130 334 L CA 0.330 55.087 54.840 -0.138 0.000 0.826 334 L CB -0.207 41.679 42.059 -0.288 0.000 0.941 334 L HN 0.107 nan 8.230 nan 0.000 0.451 335 R N 0.443 120.788 120.500 -0.257 0.000 2.073 335 R HA -0.167 4.173 4.340 -0.000 0.000 0.234 335 R C 0.330 176.159 176.300 -0.784 0.000 1.134 335 R CA 1.709 57.440 56.100 -0.616 0.000 0.952 335 R CB -0.041 29.760 30.300 -0.833 0.000 0.850 335 R HN 0.311 nan 8.270 nan 0.000 0.433 336 W N -0.443 120.879 121.300 0.037 0.000 1.948 336 W HA 0.286 4.946 4.660 -0.000 0.000 0.335 336 W C -1.029 175.540 176.519 0.083 0.000 0.753 336 W CA -0.829 56.527 57.345 0.017 0.000 2.601 336 W CB 0.225 29.656 29.460 -0.049 0.000 2.143 336 W HN -0.081 nan 8.180 nan 0.000 0.636 337 F N 1.914 121.875 119.950 0.018 0.000 2.532 337 F HA 0.675 5.202 4.527 -0.000 0.000 0.365 337 F C 0.844 176.641 175.800 -0.006 0.000 1.112 337 F CA -0.719 57.283 58.000 0.004 0.000 1.082 337 F CB 0.152 39.125 39.000 -0.045 0.000 1.319 337 F HN 0.213 nan 8.300 nan 0.000 0.457 338 A N 3.076 126.018 122.820 0.203 0.000 6.069 338 A HA 0.056 4.376 4.320 -0.000 0.000 0.278 338 A C 0.491 178.168 177.584 0.154 0.000 2.017 338 A CA 0.616 52.762 52.037 0.181 0.000 0.717 338 A CB -1.757 17.404 19.000 0.269 0.000 1.159 338 A HN 1.472 nan 8.150 nan 0.000 0.378 339 G N -3.078 105.795 108.800 0.121 0.000 3.013 339 G HA2 0.548 4.508 3.960 -0.000 0.000 0.278 339 G HA3 0.548 4.508 3.960 -0.000 0.000 0.278 339 G C 0.449 175.370 174.900 0.035 0.000 1.353 339 G CA 0.307 45.447 45.100 0.067 0.000 1.043 339 G HN 0.735 nan 8.290 nan 0.000 0.523 340 K N -0.432 119.961 120.400 -0.013 0.000 2.103 340 K HA -0.124 4.196 4.320 -0.000 0.000 0.207 340 K C 2.546 179.160 176.600 0.024 0.000 1.048 340 K CA 1.385 57.655 56.287 -0.029 0.000 0.930 340 K CB -0.341 32.113 32.500 -0.077 0.000 0.716 340 K HN 0.484 nan 8.250 nan 0.000 0.444 341 Q N 0.372 120.204 119.800 0.052 0.000 2.096 341 Q HA -0.101 4.239 4.340 -0.000 0.000 0.204 341 Q C 2.239 178.300 176.000 0.102 0.000 0.982 341 Q CA 1.289 57.148 55.803 0.093 0.000 0.850 341 Q CB -0.407 28.389 28.738 0.098 0.000 0.901 341 Q HN 0.034 nan 8.270 nan 0.000 0.422 342 V N 0.644 120.615 119.914 0.096 0.000 2.407 342 V HA -0.184 3.936 4.120 -0.000 0.000 0.245 342 V C 1.858 177.995 176.094 0.073 0.000 1.041 342 V CA 1.581 63.945 62.300 0.107 0.000 1.040 342 V CB -0.348 31.561 31.823 0.143 0.000 0.671 342 V HN 0.301 nan 8.190 nan 0.000 0.455 343 K N 0.060 120.481 120.400 0.035 0.000 2.283 343 K HA -0.079 4.241 4.320 -0.000 0.000 0.202 343 K C 2.193 178.734 176.600 -0.099 0.000 1.048 343 K CA 1.342 57.590 56.287 -0.065 0.000 0.948 343 K CB -0.171 32.252 32.500 -0.128 0.000 0.742 343 K HN 0.340 nan 8.250 nan 0.000 0.458 344 S N 0.467 116.134 115.700 -0.055 0.000 2.489 344 S HA -0.052 4.418 4.470 -0.000 0.000 0.228 344 S C 1.815 176.299 174.600 -0.193 0.000 0.995 344 S CA 0.976 59.097 58.200 -0.130 0.000 0.934 344 S CB 0.244 63.457 63.200 0.020 0.000 0.771 344 S HN 0.305 nan 8.310 nan 0.000 0.522 345 V N -2.259 117.626 119.914 -0.048 0.000 3.484 345 V HA 0.583 4.703 4.120 -0.000 0.000 0.252 345 V C 0.683 176.771 176.094 -0.010 0.000 1.282 345 V CA 0.017 62.308 62.300 -0.015 0.000 1.104 345 V CB -0.603 31.279 31.823 0.098 0.000 0.868 345 V HN 0.248 nan 8.190 nan 0.000 0.457 346 A N 2.603 125.423 122.820 0.000 0.000 2.492 346 A HA 0.587 4.906 4.320 -0.000 0.000 0.254 346 A C 0.706 178.269 177.584 -0.035 0.000 1.091 346 A CA 0.735 52.782 52.037 0.016 0.000 0.768 346 A CB -0.277 18.763 19.000 0.067 0.000 1.028 346 A HN 1.059 nan 8.150 nan 0.000 0.498 347 S N 2.927 118.616 115.700 -0.018 0.000 2.616 347 S HA 0.415 4.885 4.470 -0.000 0.000 0.277 347 S C 1.057 175.637 174.600 -0.033 0.000 1.234 347 S CA -0.657 57.518 58.200 -0.042 0.000 1.028 347 S CB 1.003 64.187 63.200 -0.027 0.000 0.988 347 S HN 0.727 nan 8.310 nan 0.000 0.522 348 L N 1.999 123.183 121.223 -0.065 0.000 2.017 348 L HA 0.031 4.371 4.340 -0.000 0.000 0.208 348 L C 2.483 179.364 176.870 0.017 0.000 1.073 348 L CA 1.994 56.806 54.840 -0.046 0.000 0.745 348 L CB -1.240 40.744 42.059 -0.126 0.000 0.894 348 L HN 1.016 nan 8.230 nan 0.000 0.432 349 G N -1.125 107.670 108.800 -0.009 0.000 2.432 349 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.219 349 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.219 349 G C 1.445 176.371 174.900 0.043 0.000 1.135 349 G CA 0.638 45.745 45.100 0.011 0.000 0.767 349 G HN 0.561 nan 8.290 nan 0.000 0.550 350 G N 0.790 109.609 108.800 0.032 0.000 2.418 350 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.217 350 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.217 350 G C 1.634 176.583 174.900 0.082 0.000 1.158 350 G CA 1.168 46.292 45.100 0.040 0.000 0.771 350 G HN 0.550 nan 8.290 nan 0.000 0.545 351 N N 0.139 118.908 118.700 0.115 0.000 2.142 351 N HA -0.027 4.713 4.740 -0.000 0.000 0.186 351 N C 2.210 177.837 175.510 0.195 0.000 1.023 351 N CA 1.025 54.171 53.050 0.160 0.000 0.852 351 N CB -0.186 38.425 38.487 0.206 0.000 0.998 351 N HN 0.385 nan 8.380 nan 0.000 0.424 352 I N 0.341 121.054 120.570 0.238 0.000 2.142 352 I HA -0.238 3.932 4.170 -0.000 0.000 0.240 352 I C 1.579 177.909 176.117 0.356 0.000 1.078 352 I CA 0.752 62.259 61.300 0.345 0.000 1.343 352 I CB -0.251 37.920 38.000 0.286 0.000 1.046 352 I HN 0.241 nan 8.210 nan 0.000 0.405 353 I N 0.341 121.041 120.570 0.216 0.000 2.546 353 I HA -0.176 3.994 4.170 -0.000 0.000 0.255 353 I C 2.541 178.722 176.117 0.107 0.000 1.163 353 I CA 1.428 62.818 61.300 0.150 0.000 1.457 353 I CB -1.704 36.334 38.000 0.064 0.000 1.092 353 I HN 0.226 nan 8.210 nan 0.000 0.434 354 T N 1.438 116.048 114.554 0.094 0.000 2.803 354 T HA -0.090 4.260 4.350 -0.000 0.000 0.269 354 T C 1.348 176.073 174.700 0.043 0.000 1.052 354 T CA 1.223 63.352 62.100 0.047 0.000 1.136 354 T CB -0.333 68.563 68.868 0.047 0.000 0.864 354 T HN 0.553 nan 8.240 nan 0.000 0.467 355 A N 1.516 124.414 122.820 0.130 0.000 2.704 355 A HA -0.157 4.163 4.320 -0.000 0.000 0.299 355 A C 0.962 178.517 177.584 -0.048 0.000 1.507 355 A CA 0.728 52.842 52.037 0.128 0.000 0.776 355 A CB -2.191 16.964 19.000 0.259 0.000 1.027 355 A HN 0.563 nan 8.150 nan 0.000 0.475 356 S N -0.463 115.207 115.700 -0.050 0.000 2.562 356 S HA 0.451 4.921 4.470 -0.000 0.000 0.281 356 S C -0.530 174.027 174.600 -0.071 0.000 1.333 356 S CA -0.602 57.561 58.200 -0.061 0.000 1.052 356 S CB 0.650 63.831 63.200 -0.031 0.000 0.884 356 S HN 0.283 nan 8.310 nan 0.000 0.506 357 P HA -0.058 nan 4.420 nan 0.000 0.219 357 P C 0.611 177.895 177.300 -0.027 0.000 1.146 357 P CA 0.895 63.994 63.100 -0.001 0.000 0.808 357 P CB -0.128 31.626 31.700 0.091 0.000 0.779 358 I N -5.312 115.243 120.570 -0.025 0.000 3.889 358 I HA 0.256 4.426 4.170 -0.000 0.000 0.332 358 I C 0.448 176.529 176.117 -0.060 0.000 1.493 358 I CA -1.044 60.236 61.300 -0.033 0.000 1.158 358 I CB -0.931 37.055 38.000 -0.024 0.000 1.117 358 I HN -0.291 nan 8.210 nan 0.000 0.411 359 S N 1.202 116.859 115.700 -0.072 0.000 2.549 359 S HA 0.027 4.497 4.470 -0.000 0.000 0.286 359 S C 0.925 175.484 174.600 -0.068 0.000 1.314 359 S CA 0.067 58.227 58.200 -0.067 0.000 1.062 359 S CB 0.275 63.445 63.200 -0.051 0.000 0.865 359 S HN 0.453 nan 8.310 nan 0.000 0.498 360 D N 3.786 124.154 120.400 -0.053 0.000 2.333 360 D HA 0.070 4.710 4.640 -0.000 0.000 0.208 360 D C 1.565 177.814 176.300 -0.084 0.000 0.984 360 D CA 0.600 54.577 54.000 -0.039 0.000 0.873 360 D CB 0.193 40.999 40.800 0.010 0.000 0.935 360 D HN 0.520 nan 8.370 nan 0.000 0.521 361 L N 0.451 121.608 121.223 -0.110 0.000 2.221 361 L HA 0.025 4.365 4.340 -0.000 0.000 0.202 361 L C 1.995 178.527 176.870 -0.563 0.000 1.074 361 L CA 0.329 54.910 54.840 -0.432 0.000 0.795 361 L CB -0.260 41.570 42.059 -0.381 0.000 0.960 361 L HN -0.153 nan 8.230 nan 0.000 0.458 362 N N 0.515 119.112 118.700 -0.172 0.000 2.149 362 N HA -0.129 4.611 4.740 -0.000 0.000 0.188 362 N C -0.845 174.662 175.510 -0.005 0.000 1.019 362 N CA 1.385 54.450 53.050 0.025 0.000 0.857 362 N CB -1.268 37.211 38.487 -0.014 0.000 0.997 362 N HN 0.231 nan 8.380 nan 0.000 0.426 363 P HA -0.036 nan 4.420 nan 0.000 0.218 363 P C 1.658 178.951 177.300 -0.011 0.000 1.149 363 P CA 0.610 63.681 63.100 -0.049 0.000 0.817 363 P CB 0.190 31.836 31.700 -0.091 0.000 0.785 364 V N -1.436 118.433 119.914 -0.076 0.000 2.453 364 V HA -0.178 3.942 4.120 -0.000 0.000 0.247 364 V C 2.077 178.261 176.094 0.151 0.000 1.048 364 V CA 1.604 63.942 62.300 0.063 0.000 1.049 364 V CB -1.235 30.512 31.823 -0.126 0.000 0.672 364 V HN 0.079 nan 8.190 nan 0.000 0.457 365 F N -1.005 118.993 119.950 0.080 0.000 2.234 365 F HA -0.174 4.353 4.527 0.000 0.000 0.299 365 F C 2.418 178.258 175.800 0.066 0.000 1.087 365 F CA 1.439 59.463 58.000 0.039 0.000 1.340 365 F CB -0.136 38.881 39.000 0.028 0.000 1.031 365 F HN 0.128 nan 8.300 nan 0.000 0.500 366 M N 0.283 120.060 119.600 0.294 0.000 2.156 366 M HA -0.081 4.399 4.480 -0.000 0.000 0.264 366 M C 2.364 178.779 176.300 0.193 0.000 1.067 366 M CA 1.643 57.087 55.300 0.241 0.000 1.131 366 M CB -0.153 32.606 32.600 0.265 0.000 1.368 366 M HN 0.098 nan 8.290 nan 0.000 0.416 367 A N -0.100 122.836 122.820 0.192 0.000 2.015 367 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 367 A C 2.071 179.828 177.584 0.288 0.000 1.163 367 A CA 1.883 54.029 52.037 0.183 0.000 0.646 367 A CB -0.762 18.288 19.000 0.085 0.000 0.806 367 A HN 0.701 nan 8.150 nan 0.000 0.448 368 S N -2.096 113.787 115.700 0.304 0.000 2.556 368 S HA 0.388 4.858 4.470 -0.000 0.000 0.216 368 S C 1.321 175.968 174.600 0.078 0.000 0.970 368 S CA 0.925 59.227 58.200 0.170 0.000 0.912 368 S CB -0.297 62.876 63.200 -0.046 0.000 0.790 368 S HN 1.853 nan 8.310 nan 0.000 0.504 369 G N 1.545 110.401 108.800 0.092 0.000 2.249 369 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.273 369 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.273 369 G C 0.124 175.012 174.900 -0.020 0.000 1.036 369 G CA 0.317 45.438 45.100 0.036 0.000 0.824 369 G HN 0.583 nan 8.290 nan 0.000 0.504 370 T N 0.808 115.353 114.554 -0.016 0.000 2.891 370 T HA 0.186 4.536 4.350 -0.000 0.000 0.296 370 T C 0.973 175.565 174.700 -0.179 0.000 1.025 370 T CA 0.642 62.676 62.100 -0.110 0.000 1.149 370 T CB 0.458 69.219 68.868 -0.178 0.000 1.007 370 T HN 0.435 nan 8.240 nan 0.000 0.528 371 K N 3.454 123.746 120.400 -0.180 0.000 2.339 371 K HA 0.329 4.649 4.320 -0.000 0.000 0.286 371 K C -0.321 176.145 176.600 -0.223 0.000 1.050 371 K CA -0.224 55.955 56.287 -0.179 0.000 0.956 371 K CB 0.555 32.973 32.500 -0.136 0.000 0.990 371 K HN 0.459 nan 8.250 nan 0.000 0.475 372 L N 2.883 123.965 121.223 -0.235 0.000 2.305 372 L HA 0.283 4.623 4.340 -0.000 0.000 0.284 372 L C -0.152 176.624 176.870 -0.156 0.000 1.013 372 L CA -0.715 53.982 54.840 -0.239 0.000 0.819 372 L CB 1.747 43.593 42.059 -0.354 0.000 1.227 372 L HN 0.548 nan 8.230 nan 0.000 0.417 373 T N 4.717 119.196 114.554 -0.125 0.000 2.738 373 T HA 0.544 4.894 4.350 -0.000 0.000 0.298 373 T C 0.030 174.689 174.700 -0.067 0.000 0.962 373 T CA -0.127 61.919 62.100 -0.088 0.000 0.972 373 T CB 0.416 69.234 68.868 -0.083 0.000 0.928 373 T HN 0.268 nan 8.240 nan 0.000 0.474 374 I N 3.553 124.093 120.570 -0.049 0.000 2.377 374 I HA 0.577 4.747 4.170 -0.000 0.000 0.293 374 I C -0.318 175.781 176.117 -0.029 0.000 0.987 374 I CA -0.898 60.385 61.300 -0.029 0.000 1.185 374 I CB 1.694 39.692 38.000 -0.004 0.000 1.341 374 I HN 0.248 nan 8.210 nan 0.000 0.455 375 V N 4.260 124.157 119.914 -0.028 0.000 2.962 375 V HA 0.674 4.794 4.120 -0.000 0.000 0.313 375 V C -0.315 175.762 176.094 -0.028 0.000 1.099 375 V CA -0.464 61.819 62.300 -0.028 0.000 0.971 375 V CB 2.321 34.126 31.823 -0.031 0.000 1.028 375 V HN 0.890 nan 8.190 nan 0.000 0.430 376 S N 2.368 118.052 115.700 -0.027 0.000 2.651 376 S HA 0.558 5.028 4.470 -0.000 0.000 0.279 376 S C 0.699 175.283 174.600 -0.026 0.000 1.148 376 S CA -0.452 57.732 58.200 -0.027 0.000 0.837 376 S CB 2.088 65.272 63.200 -0.027 0.000 1.138 376 S HN 0.753 nan 8.310 nan 0.000 0.478 377 R N 0.625 121.110 120.500 -0.027 0.000 2.196 377 R HA -0.193 4.147 4.340 -0.000 0.000 0.244 377 R C 1.498 177.785 176.300 -0.022 0.000 1.121 377 R CA 2.535 58.620 56.100 -0.025 0.000 0.930 377 R CB -1.216 29.068 30.300 -0.026 0.000 0.890 377 R HN 0.888 nan 8.270 nan 0.000 0.435 378 G N -1.074 107.713 108.800 -0.022 0.000 3.453 378 G HA2 0.193 4.153 3.960 -0.000 0.000 0.263 378 G HA3 0.193 4.153 3.960 -0.000 0.000 0.263 378 G C -0.582 174.306 174.900 -0.020 0.000 1.060 378 G CA -0.111 44.977 45.100 -0.020 0.000 0.793 378 G HN 0.291 nan 8.290 nan 0.000 0.532 379 T N -0.055 114.486 114.554 -0.022 0.000 2.924 379 T HA 0.747 5.097 4.350 -0.000 0.000 0.291 379 T C -0.743 173.943 174.700 -0.023 0.000 1.045 379 T CA -0.625 61.462 62.100 -0.022 0.000 1.015 379 T CB 2.682 71.537 68.868 -0.022 0.000 1.103 379 T HN 0.164 nan 8.240 nan 0.000 0.496 380 R N 1.514 122.000 120.500 -0.024 0.000 2.522 380 R HA 0.487 4.827 4.340 -0.000 0.000 0.273 380 R C -1.686 174.597 176.300 -0.028 0.000 1.133 380 R CA -0.751 55.332 56.100 -0.027 0.000 0.969 380 R CB 1.059 31.342 30.300 -0.028 0.000 1.235 380 R HN 0.750 nan 8.270 nan 0.000 0.433 381 R N 1.836 122.318 120.500 -0.031 0.000 2.680 381 R HA 0.447 4.787 4.340 -0.000 0.000 0.269 381 R C -1.909 174.366 176.300 -0.043 0.000 1.026 381 R CA -0.622 55.459 56.100 -0.033 0.000 0.889 381 R CB 1.787 32.071 30.300 -0.026 0.000 1.241 381 R HN 0.465 nan 8.270 nan 0.000 0.463 382 T N 1.319 115.844 114.554 -0.048 0.000 2.807 382 T HA 0.605 4.955 4.350 -0.000 0.000 0.279 382 T C -0.821 173.839 174.700 -0.067 0.000 0.993 382 T CA -0.531 61.529 62.100 -0.066 0.000 0.970 382 T CB 1.550 70.377 68.868 -0.068 0.000 0.950 382 T HN 0.367 nan 8.240 nan 0.000 0.441 383 V N 5.535 125.395 119.914 -0.090 0.000 2.760 383 V HA 0.532 4.652 4.120 -0.000 0.000 0.309 383 V C -2.337 173.678 176.094 -0.133 0.000 1.077 383 V CA -2.230 60.017 62.300 -0.089 0.000 0.910 383 V CB 2.456 34.240 31.823 -0.065 0.000 1.008 383 V HN 0.697 nan 8.190 nan 0.000 0.424 384 P HA 0.218 nan 4.420 nan 0.000 0.280 384 P C -0.476 176.746 177.300 -0.130 0.000 1.244 384 P CA -0.430 62.606 63.100 -0.106 0.000 0.784 384 P CB 0.963 32.632 31.700 -0.052 0.000 0.913 385 M N 3.852 123.344 119.600 -0.180 0.000 2.238 385 M HA 0.082 4.562 4.480 -0.000 0.000 0.350 385 M C -0.216 176.090 176.300 0.010 0.000 1.321 385 M CA 0.888 56.069 55.300 -0.199 0.000 1.097 385 M CB -0.004 32.476 32.600 -0.200 0.000 1.713 385 M HN 0.435 nan 8.290 nan 0.000 0.455 386 D N 2.716 123.162 120.400 0.077 0.000 2.744 386 D HA 0.149 4.789 4.640 -0.000 0.000 0.304 386 D C 0.800 177.248 176.300 0.248 0.000 1.179 386 D CA -0.317 53.788 54.000 0.176 0.000 1.024 386 D CB 0.032 40.922 40.800 0.150 0.000 1.453 386 D HN 0.726 nan 8.370 nan 0.000 0.529 387 H N -1.076 118.106 119.070 0.186 0.000 2.422 387 H HA -0.131 4.425 4.556 -0.000 0.000 0.298 387 H C 1.300 176.757 175.328 0.215 0.000 1.098 387 H CA 2.288 58.466 56.048 0.217 0.000 1.315 387 H CB -1.215 28.637 29.762 0.150 0.000 1.382 387 H HN 0.519 nan 8.280 nan 0.000 0.523 388 T N -2.445 111.828 114.554 -0.468 0.000 3.035 388 T HA -0.123 4.227 4.350 -0.000 0.000 0.268 388 T C 1.804 176.453 174.700 -0.085 0.000 1.109 388 T CA 0.416 62.339 62.100 -0.296 0.000 1.119 388 T CB -0.933 67.736 68.868 -0.332 0.000 0.900 388 T HN 0.245 nan 8.240 nan 0.000 0.503 389 F N 1.752 121.582 119.950 -0.200 0.000 2.269 389 F HA 0.260 4.787 4.527 -0.000 0.000 0.301 389 F C -0.005 175.462 175.800 -0.556 0.000 1.082 389 F CA -0.289 57.477 58.000 -0.390 0.000 1.360 389 F CB -0.164 38.520 39.000 -0.528 0.000 1.041 389 F HN 0.162 nan 8.300 nan 0.000 0.512 390 F N 0.995 120.935 119.950 -0.018 0.000 2.310 390 F HA 0.345 4.872 4.527 0.000 0.000 0.365 390 F C -1.737 174.040 175.800 -0.039 0.000 1.080 390 F CA -2.241 55.715 58.000 -0.073 0.000 1.187 390 F CB 0.390 39.417 39.000 0.046 0.000 1.465 390 F HN -0.199 nan 8.300 nan 0.000 0.496 391 P HA -0.084 nan 4.420 nan 0.000 0.216 391 P C 0.104 177.447 177.300 0.071 0.000 1.153 391 P CA 1.186 64.299 63.100 0.021 0.000 0.848 391 P CB 0.313 31.988 31.700 -0.042 0.000 0.787 392 S N -3.945 111.803 115.700 0.081 0.000 2.688 392 S HA 0.320 4.790 4.470 -0.000 0.000 0.275 392 S C -1.137 173.552 174.600 0.149 0.000 1.175 392 S CA -0.972 57.297 58.200 0.116 0.000 0.818 392 S CB 0.008 63.264 63.200 0.094 0.000 1.157 392 S HN -0.037 nan 8.310 nan 0.000 0.482 393 Y N 2.987 123.316 120.300 0.048 0.000 2.852 393 Y HA 0.129 4.679 4.550 -0.000 0.000 0.343 393 Y C 1.342 177.274 175.900 0.053 0.000 1.280 393 Y CA 1.051 59.178 58.100 0.045 0.000 1.604 393 Y CB -0.128 38.352 38.460 0.033 0.000 1.216 393 Y HN 0.799 nan 8.280 nan 0.000 0.541 394 R N 1.951 122.181 120.500 -0.449 0.000 3.989 394 R HA -0.236 4.104 4.340 -0.000 0.000 0.377 394 R C -0.650 175.569 176.300 -0.135 0.000 1.158 394 R CA 1.176 57.041 56.100 -0.392 0.000 1.035 394 R CB -1.715 28.207 30.300 -0.630 0.000 1.557 394 R HN 0.698 nan 8.270 nan 0.000 0.551 395 K N 0.517 120.888 120.400 -0.049 0.000 2.267 395 K HA 0.537 4.857 4.320 -0.000 0.000 0.246 395 K C 0.464 176.988 176.600 -0.127 0.000 0.954 395 K CA -0.236 56.012 56.287 -0.066 0.000 0.824 395 K CB 2.085 34.554 32.500 -0.052 0.000 1.167 395 K HN 0.155 nan 8.250 nan 0.000 0.431 396 T N -2.267 112.105 114.554 -0.304 0.000 2.887 396 T HA 0.389 4.739 4.350 -0.000 0.000 0.292 396 T C 0.078 174.381 174.700 -0.663 0.000 1.087 396 T CA -0.950 60.698 62.100 -0.755 0.000 1.009 396 T CB 0.604 68.950 68.868 -0.870 0.000 1.203 396 T HN 0.371 nan 8.240 nan 0.000 0.518 397 L N 1.743 122.401 121.223 -0.942 0.000 2.672 397 L HA 0.305 4.645 4.340 -0.000 0.000 0.238 397 L C -0.594 176.126 176.870 -0.250 0.000 1.392 397 L CA -0.343 54.232 54.840 -0.441 0.000 1.238 397 L CB -0.523 41.366 42.059 -0.283 0.000 1.548 397 L HN 0.351 nan 8.230 nan 0.000 0.423 398 L N 0.211 121.299 121.223 -0.225 0.000 2.346 398 L HA 0.565 4.905 4.340 -0.000 0.000 0.276 398 L C 0.719 177.537 176.870 -0.086 0.000 1.006 398 L CA -0.085 54.693 54.840 -0.104 0.000 0.817 398 L CB 1.810 43.818 42.059 -0.085 0.000 1.272 398 L HN 0.198 nan 8.230 nan 0.000 0.421 399 G N 2.644 111.410 108.800 -0.056 0.000 2.572 399 G HA2 0.389 4.349 3.960 -0.000 0.000 0.261 399 G HA3 0.389 4.349 3.960 -0.000 0.000 0.261 399 G C -1.466 173.408 174.900 -0.044 0.000 1.197 399 G CA -0.714 44.357 45.100 -0.048 0.000 0.870 399 G HN 0.549 nan 8.290 nan 0.000 0.548 400 P HA -0.058 nan 4.420 nan 0.000 0.222 400 P C 0.696 177.977 177.300 -0.032 0.000 1.147 400 P CA 1.186 64.266 63.100 -0.032 0.000 0.790 400 P CB 0.468 32.154 31.700 -0.023 0.000 0.780 401 E N -0.698 119.482 120.200 -0.032 0.000 2.498 401 E HA 0.108 4.458 4.350 -0.000 0.000 0.203 401 E C 0.214 176.793 176.600 -0.034 0.000 1.013 401 E CA -0.136 56.244 56.400 -0.033 0.000 0.927 401 E CB 0.364 30.045 29.700 -0.032 0.000 1.012 401 E HN 0.460 nan 8.360 nan 0.000 0.482 402 E N 0.968 121.147 120.200 -0.035 0.000 2.250 402 E HA 0.445 4.795 4.350 -0.000 0.000 0.269 402 E C -0.439 176.141 176.600 -0.034 0.000 1.018 402 E CA -0.726 55.655 56.400 -0.032 0.000 0.873 402 E CB 1.657 31.341 29.700 -0.027 0.000 1.134 402 E HN 0.003 nan 8.360 nan 0.000 0.403 403 I N -1.433 119.118 120.570 -0.032 0.000 2.865 403 I HA 0.351 4.521 4.170 -0.000 0.000 0.302 403 I C -1.241 174.861 176.117 -0.025 0.000 1.140 403 I CA -1.305 59.975 61.300 -0.034 0.000 1.021 403 I CB 1.058 39.031 38.000 -0.044 0.000 1.233 403 I HN 0.300 nan 8.210 nan 0.000 0.427 404 L N 4.376 125.587 121.223 -0.020 0.000 2.315 404 L HA 0.360 4.700 4.340 -0.000 0.000 0.283 404 L C 0.380 177.227 176.870 -0.037 0.000 1.089 404 L CA 0.102 54.929 54.840 -0.021 0.000 0.833 404 L CB 0.901 42.956 42.059 -0.006 0.000 1.170 404 L HN 0.883 nan 8.230 nan 0.000 0.442 405 L N 4.009 125.205 121.223 -0.045 0.000 2.145 405 L HA 0.353 4.693 4.340 -0.000 0.000 0.201 405 L C 0.628 177.464 176.870 -0.056 0.000 1.075 405 L CA 1.361 56.172 54.840 -0.047 0.000 0.773 405 L CB -0.032 41.999 42.059 -0.047 0.000 0.936 405 L HN 0.836 nan 8.230 nan 0.000 0.451 406 S N -1.577 114.079 115.700 -0.073 0.000 2.596 406 S HA 0.683 5.153 4.470 -0.000 0.000 0.270 406 S C -0.979 173.549 174.600 -0.120 0.000 1.155 406 S CA -0.761 57.388 58.200 -0.085 0.000 0.827 406 S CB 1.664 64.810 63.200 -0.089 0.000 1.130 406 S HN -0.048 nan 8.310 nan 0.000 0.467 407 I N 1.053 121.548 120.570 -0.126 0.000 2.466 407 I HA 0.481 4.651 4.170 -0.000 0.000 0.289 407 I C -0.381 175.644 176.117 -0.154 0.000 1.026 407 I CA -0.224 60.955 61.300 -0.201 0.000 1.078 407 I CB 1.947 39.761 38.000 -0.311 0.000 1.249 407 I HN 0.858 nan 8.210 nan 0.000 0.429 408 E N 6.775 126.864 120.200 -0.185 0.000 2.092 408 E HA 0.480 4.830 4.350 -0.000 0.000 0.271 408 E C -0.979 175.536 176.600 -0.142 0.000 0.919 408 E CA -0.524 55.781 56.400 -0.159 0.000 0.760 408 E CB 0.901 30.505 29.700 -0.161 0.000 1.106 408 E HN 0.515 nan 8.360 nan 0.000 0.408 409 I N 7.618 128.153 120.570 -0.058 0.000 2.379 409 I HA 0.198 4.368 4.170 -0.000 0.000 0.290 409 I C -1.834 174.315 176.117 0.053 0.000 1.063 409 I CA -1.938 59.386 61.300 0.039 0.000 1.351 409 I CB 0.656 38.773 38.000 0.195 0.000 1.410 409 I HN 0.352 nan 8.210 nan 0.000 0.505 410 P HA 0.052 nan 4.420 nan 0.000 0.274 410 P C -1.068 176.018 177.300 -0.357 0.000 1.231 410 P CA 0.026 63.017 63.100 -0.183 0.000 0.790 410 P CB 0.564 32.187 31.700 -0.128 0.000 0.951 411 Y N -0.008 120.135 120.300 -0.262 0.000 2.326 411 Y HA 0.106 4.656 4.550 -0.000 0.000 0.333 411 Y C 1.507 177.201 175.900 -0.343 0.000 1.240 411 Y CA -0.228 57.604 58.100 -0.446 0.000 1.365 411 Y CB 0.714 39.035 38.460 -0.232 0.000 1.289 411 Y HN 0.305 nan 8.280 nan 0.000 0.548 412 S N 2.413 118.003 115.700 -0.184 0.000 2.601 412 S HA 0.451 4.921 4.470 -0.000 0.000 0.271 412 S C -0.111 174.414 174.600 -0.125 0.000 1.305 412 S CA -0.939 57.164 58.200 -0.161 0.000 1.022 412 S CB 0.967 64.066 63.200 -0.169 0.000 0.940 412 S HN 0.529 nan 8.310 nan 0.000 0.525 413 R N 0.524 120.944 120.500 -0.133 0.000 2.705 413 R HA 0.374 4.714 4.340 -0.000 0.000 0.246 413 R C -0.236 175.959 176.300 -0.174 0.000 1.142 413 R CA -0.950 55.076 56.100 -0.124 0.000 1.114 413 R CB 0.439 30.682 30.300 -0.095 0.000 1.256 413 R HN 0.529 nan 8.270 nan 0.000 0.536 414 E N 1.749 121.866 120.200 -0.138 0.000 2.398 414 E HA -0.045 4.305 4.350 -0.000 0.000 0.263 414 E C -0.320 176.163 176.600 -0.195 0.000 1.046 414 E CA 0.523 56.835 56.400 -0.147 0.000 0.908 414 E CB 0.247 29.898 29.700 -0.081 0.000 0.963 414 E HN 0.535 nan 8.360 nan 0.000 0.431 415 D N 0.801 121.039 120.400 -0.270 0.000 3.076 415 D HA -0.210 4.430 4.640 -0.000 0.000 0.218 415 D C -0.049 175.978 176.300 -0.454 0.000 1.156 415 D CA 1.161 55.019 54.000 -0.236 0.000 0.921 415 D CB -0.837 39.967 40.800 0.006 0.000 1.113 415 D HN 0.553 nan 8.370 nan 0.000 0.418 416 E N -0.295 119.443 120.200 -0.770 0.000 2.191 416 E HA 0.514 4.864 4.350 -0.000 0.000 0.263 416 E C -0.893 175.238 176.600 -0.782 0.000 0.881 416 E CA -0.512 55.542 56.400 -0.576 0.000 0.757 416 E CB 0.997 30.537 29.700 -0.268 0.000 1.147 416 E HN -0.099 nan 8.360 nan 0.000 0.414 417 F N 3.324 123.315 119.950 0.069 0.000 2.561 417 F HA 0.605 5.132 4.527 0.000 0.000 0.321 417 F C -0.589 175.375 175.800 0.273 0.000 1.065 417 F CA -0.955 57.111 58.000 0.109 0.000 0.934 417 F CB 1.516 40.516 39.000 0.001 0.000 1.215 417 F HN 0.377 nan 8.300 nan 0.000 0.471 418 F N 0.281 120.408 119.950 0.295 0.000 2.601 418 F HA 0.722 5.249 4.527 -0.000 0.000 0.309 418 F C -0.740 175.160 175.800 0.166 0.000 1.089 418 F CA -0.321 57.804 58.000 0.208 0.000 0.940 418 F CB 2.068 41.096 39.000 0.047 0.000 1.273 418 F HN 0.399 nan 8.300 nan 0.000 0.450 419 S N 2.088 117.622 115.700 -0.276 0.000 2.556 419 S HA 0.911 5.381 4.470 -0.000 0.000 0.271 419 S C -1.563 172.621 174.600 -0.694 0.000 1.135 419 S CA -0.619 57.383 58.200 -0.330 0.000 0.858 419 S CB 1.887 65.008 63.200 -0.133 0.000 1.114 419 S HN 0.875 nan 8.310 nan 0.000 0.468 420 A N 1.933 124.306 122.820 -0.745 0.000 2.398 420 A HA 0.886 5.206 4.320 -0.000 0.000 0.301 420 A C -1.603 175.425 177.584 -0.927 0.000 1.041 420 A CA -0.506 51.163 52.037 -0.615 0.000 0.711 420 A CB 0.640 19.520 19.000 -0.201 0.000 1.240 420 A HN 0.592 nan 8.150 nan 0.000 0.420 421 F N 0.873 120.555 119.950 -0.447 0.000 2.588 421 F HA 0.745 5.272 4.527 -0.000 0.000 0.314 421 F C 0.150 175.583 175.800 -0.611 0.000 1.069 421 F CA -0.575 57.003 58.000 -0.703 0.000 0.931 421 F CB 2.661 40.739 39.000 -1.538 0.000 1.260 421 F HN 0.568 nan 8.300 nan 0.000 0.465 422 K N 2.157 122.454 120.400 -0.171 0.000 2.535 422 K HA 0.494 4.814 4.320 -0.000 0.000 0.251 422 K C -1.963 174.759 176.600 0.203 0.000 0.942 422 K CA -0.700 55.616 56.287 0.047 0.000 0.798 422 K CB 2.043 34.579 32.500 0.060 0.000 1.267 422 K HN 0.602 nan 8.250 nan 0.000 0.434 423 Q N 3.047 123.040 119.800 0.323 0.000 2.292 423 Q HA 0.655 4.995 4.340 -0.000 0.000 0.270 423 Q C -1.774 174.315 176.000 0.149 0.000 1.024 423 Q CA -0.318 55.639 55.803 0.257 0.000 0.768 423 Q CB 2.069 30.990 28.738 0.305 0.000 1.250 423 Q HN 0.764 nan 8.270 nan 0.000 0.447 424 A N 2.106 124.988 122.820 0.103 0.000 3.837 424 A HA 0.673 4.993 4.320 -0.000 0.000 0.167 424 A C 0.479 178.124 177.584 0.102 0.000 0.997 424 A CA 0.233 52.320 52.037 0.084 0.000 0.865 424 A CB 0.623 19.640 19.000 0.029 0.000 1.484 424 A HN 0.666 nan 8.150 nan 0.000 0.688 425 S N -1.498 114.235 115.700 0.056 0.000 2.456 425 S HA 0.199 4.669 4.470 -0.000 0.000 0.224 425 S C 0.896 175.485 174.600 -0.017 0.000 1.035 425 S CA 0.439 58.662 58.200 0.039 0.000 0.940 425 S CB -0.124 63.094 63.200 0.030 0.000 0.799 425 S HN 0.569 nan 8.310 nan 0.000 0.508 426 R N 0.151 120.622 120.500 -0.048 0.000 2.725 426 R HA 0.448 4.788 4.340 -0.000 0.000 0.277 426 R C 0.885 177.103 176.300 -0.137 0.000 0.987 426 R CA -0.707 55.334 56.100 -0.098 0.000 0.901 426 R CB 0.934 31.176 30.300 -0.097 0.000 1.207 426 R HN 0.098 nan 8.270 nan 0.000 0.463 427 R N 1.151 121.498 120.500 -0.255 0.000 2.066 427 R HA -0.066 4.274 4.340 -0.000 0.000 0.232 427 R C -0.406 175.803 176.300 -0.151 0.000 1.131 427 R CA 1.481 57.313 56.100 -0.447 0.000 0.955 427 R CB 0.084 29.840 30.300 -0.907 0.000 0.851 427 R HN 0.539 nan 8.270 nan 0.000 0.432 428 E N 1.149 121.338 120.200 -0.019 0.000 2.313 428 E HA 0.029 4.379 4.350 -0.000 0.000 0.276 428 E C -0.750 175.912 176.600 0.103 0.000 1.031 428 E CA -0.091 56.410 56.400 0.169 0.000 0.857 428 E CB 0.827 30.614 29.700 0.146 0.000 1.040 428 E HN 0.123 nan 8.360 nan 0.000 0.408 429 D N 2.000 122.480 120.400 0.135 0.000 3.164 429 D HA -0.235 4.405 4.640 -0.000 0.000 0.200 429 D C -1.159 175.155 176.300 0.024 0.000 1.222 429 D CA 1.020 55.066 54.000 0.076 0.000 0.871 429 D CB -0.440 40.411 40.800 0.085 0.000 0.831 429 D HN 0.398 nan 8.370 nan 0.000 0.389 430 D N 1.170 121.568 120.400 -0.003 0.000 2.583 430 D HA 0.438 5.078 4.640 -0.000 0.000 0.248 430 D C -0.528 175.740 176.300 -0.054 0.000 1.209 430 D CA -0.689 53.297 54.000 -0.025 0.000 0.848 430 D CB 1.042 41.830 40.800 -0.019 0.000 1.431 430 D HN 0.201 nan 8.370 nan 0.000 0.436 431 I N 1.604 122.148 120.570 -0.044 0.000 2.371 431 I HA 0.452 4.622 4.170 -0.000 0.000 0.290 431 I C 0.713 176.817 176.117 -0.022 0.000 1.028 431 I CA -0.761 60.507 61.300 -0.054 0.000 1.345 431 I CB 1.260 39.236 38.000 -0.039 0.000 1.407 431 I HN 0.418 nan 8.210 nan 0.000 0.501 432 A N 7.339 130.143 122.820 -0.027 0.000 2.462 432 A HA 0.178 4.498 4.320 -0.000 0.000 0.243 432 A C 1.145 178.744 177.584 0.025 0.000 1.076 432 A CA -0.163 51.883 52.037 0.015 0.000 0.773 432 A CB 0.434 19.446 19.000 0.020 0.000 1.010 432 A HN 0.753 nan 8.150 nan 0.000 0.493 433 K N 0.919 121.345 120.400 0.044 0.000 2.005 433 K HA 0.111 4.431 4.320 -0.000 0.000 0.206 433 K C 0.160 176.758 176.600 -0.004 0.000 1.044 433 K CA 1.210 57.506 56.287 0.015 0.000 0.942 433 K CB -0.184 32.323 32.500 0.012 0.000 0.727 433 K HN 0.510 nan 8.250 nan 0.000 0.439 434 V N 0.753 120.684 119.914 0.029 0.000 2.656 434 V HA 0.326 4.446 4.120 -0.000 0.000 0.307 434 V C -0.456 175.805 176.094 0.278 0.000 1.051 434 V CA -0.738 61.633 62.300 0.117 0.000 0.893 434 V CB 2.033 33.871 31.823 0.024 0.000 0.999 434 V HN 0.241 nan 8.190 nan 0.000 0.426 435 T N 3.250 117.949 114.554 0.241 0.000 2.916 435 T HA 0.736 5.086 4.350 -0.000 0.000 0.305 435 T C -0.931 173.810 174.700 0.068 0.000 1.119 435 T CA -0.190 61.993 62.100 0.138 0.000 1.008 435 T CB 1.179 70.072 68.868 0.041 0.000 1.129 435 T HN 1.255 nan 8.240 nan 0.000 0.480 436 C N 1.164 120.408 119.300 -0.094 0.000 3.318 436 C HA 1.036 5.496 4.460 -0.000 0.000 0.322 436 C C 0.015 174.817 174.990 -0.314 0.000 1.398 436 C CA -0.542 58.315 59.018 -0.267 0.000 1.339 436 C CB 0.950 28.380 27.740 -0.516 0.000 1.668 436 C HN 1.204 nan 8.230 nan 0.000 0.462 437 G N 1.080 109.655 108.800 -0.376 0.000 2.666 437 G HA2 0.701 4.661 3.960 -0.000 0.000 0.303 437 G HA3 0.701 4.661 3.960 -0.000 0.000 0.303 437 G C -1.263 173.234 174.900 -0.672 0.000 1.412 437 G CA -0.612 44.240 45.100 -0.413 0.000 0.979 437 G HN 0.848 nan 8.290 nan 0.000 0.507 438 M N 2.059 120.970 119.600 -1.148 0.000 2.327 438 M HA 0.543 5.023 4.480 -0.000 0.000 0.298 438 M C -0.367 175.179 176.300 -1.258 0.000 1.065 438 M CA -0.748 53.851 55.300 -1.168 0.000 0.916 438 M CB 3.285 34.939 32.600 -1.577 0.000 1.630 438 M HN 0.511 nan 8.290 nan 0.000 0.442 439 R N 1.925 122.109 120.500 -0.526 0.000 2.673 439 R HA 0.866 5.206 4.340 -0.000 0.000 0.281 439 R C -2.207 174.192 176.300 0.163 0.000 0.991 439 R CA -0.679 55.399 56.100 -0.037 0.000 0.896 439 R CB 2.664 33.079 30.300 0.192 0.000 1.201 439 R HN 0.633 nan 8.270 nan 0.000 0.457 440 V N 5.345 125.369 119.914 0.184 0.000 2.841 440 V HA 0.611 4.731 4.120 -0.000 0.000 0.310 440 V C -1.917 174.014 176.094 -0.272 0.000 1.090 440 V CA -0.831 61.416 62.300 -0.088 0.000 0.930 440 V CB 2.002 33.630 31.823 -0.326 0.000 1.014 440 V HN 0.717 nan 8.190 nan 0.000 0.425 441 L N 6.778 127.780 121.223 -0.368 0.000 2.376 441 L HA 0.754 5.094 4.340 -0.000 0.000 0.275 441 L C -1.348 175.304 176.870 -0.363 0.000 0.987 441 L CA 0.054 54.724 54.840 -0.284 0.000 0.828 441 L CB 1.537 43.517 42.059 -0.133 0.000 1.249 441 L HN 0.584 nan 8.230 nan 0.000 0.409 442 F N 2.077 121.991 119.950 -0.059 0.000 2.450 442 F HA 0.556 5.083 4.527 0.000 0.000 0.328 442 F C 0.607 176.381 175.800 -0.043 0.000 1.068 442 F CA -0.675 57.301 58.000 -0.040 0.000 1.007 442 F CB 0.836 39.824 39.000 -0.020 0.000 1.251 442 F HN 0.381 nan 8.300 nan 0.000 0.492 443 Q N 1.342 121.247 119.800 0.175 0.000 2.395 443 Q HA 0.141 4.481 4.340 -0.000 0.000 0.271 443 Q C -2.316 173.737 176.000 0.089 0.000 1.026 443 Q CA -1.710 54.144 55.803 0.085 0.000 0.900 443 Q CB 0.013 28.783 28.738 0.054 0.000 1.266 443 Q HN 0.175 nan 8.270 nan 0.000 0.430 444 P HA -0.105 nan 4.420 nan 0.000 0.257 444 P C 0.433 177.757 177.300 0.040 0.000 1.162 444 P CA 1.423 64.546 63.100 0.037 0.000 0.762 444 P CB 0.050 31.763 31.700 0.023 0.000 0.753 445 G N 2.267 111.087 108.800 0.032 0.000 2.187 445 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.261 445 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.261 445 G C 0.359 175.269 174.900 0.017 0.000 1.000 445 G CA 0.550 45.662 45.100 0.021 0.000 0.718 445 G HN 0.794 nan 8.290 nan 0.000 0.519 446 S N -1.914 113.799 115.700 0.021 0.000 2.841 446 S HA 0.811 5.281 4.470 -0.000 0.000 0.318 446 S C 0.696 175.219 174.600 -0.127 0.000 1.127 446 S CA -0.426 57.787 58.200 0.022 0.000 0.883 446 S CB 1.524 64.786 63.200 0.104 0.000 1.271 446 S HN 0.195 nan 8.310 nan 0.000 0.567 447 M N 0.550 120.121 119.600 -0.049 0.000 2.576 447 M HA 0.301 4.781 4.480 -0.000 0.000 0.322 447 M C 0.194 176.587 176.300 0.155 0.000 1.184 447 M CA -0.019 55.146 55.300 -0.224 0.000 0.967 447 M CB 0.421 33.041 32.600 0.035 0.000 1.372 447 M HN 0.707 nan 8.290 nan 0.000 0.509 448 Q N 2.013 121.849 119.800 0.059 0.000 2.322 448 Q HA 0.321 4.661 4.340 -0.000 0.000 0.256 448 Q C -0.730 175.364 176.000 0.157 0.000 0.960 448 Q CA -0.398 55.218 55.803 -0.313 0.000 0.934 448 Q CB 1.349 29.643 28.738 -0.740 0.000 1.200 448 Q HN 0.115 nan 8.270 nan 0.000 0.435 449 V N 5.566 125.572 119.914 0.153 0.000 2.493 449 V HA -0.088 4.032 4.120 -0.000 0.000 0.292 449 V C 1.100 177.175 176.094 -0.032 0.000 1.016 449 V CA 0.788 63.105 62.300 0.030 0.000 1.097 449 V CB 0.717 32.616 31.823 0.126 0.000 0.947 449 V HN 0.876 nan 8.190 nan 0.000 0.479 450 K N 3.717 124.071 120.400 -0.076 0.000 2.262 450 K HA 0.241 4.561 4.320 -0.000 0.000 0.200 450 K C 0.500 177.076 176.600 -0.040 0.000 1.058 450 K CA 0.389 56.651 56.287 -0.041 0.000 0.974 450 K CB 0.585 33.067 32.500 -0.030 0.000 0.910 450 K HN 0.793 nan 8.250 nan 0.000 0.484 451 E N 0.375 120.530 120.200 -0.075 0.000 2.331 451 E HA 0.376 4.726 4.350 -0.000 0.000 0.275 451 E C -2.045 174.535 176.600 -0.033 0.000 0.895 451 E CA -0.804 55.573 56.400 -0.037 0.000 0.753 451 E CB 2.374 32.056 29.700 -0.030 0.000 1.216 451 E HN 0.003 nan 8.360 nan 0.000 0.434 452 L N 1.806 123.048 121.223 0.031 0.000 2.493 452 L HA 0.765 5.105 4.340 -0.000 0.000 0.265 452 L C -2.001 174.919 176.870 0.083 0.000 0.954 452 L CA -0.271 54.627 54.840 0.096 0.000 0.844 452 L CB 1.981 44.145 42.059 0.175 0.000 1.302 452 L HN 0.621 nan 8.230 nan 0.000 0.405 453 A N 5.826 128.690 122.820 0.073 0.000 2.402 453 A HA 0.796 5.116 4.320 -0.000 0.000 0.291 453 A C -1.778 175.782 177.584 -0.040 0.000 1.051 453 A CA -0.349 51.707 52.037 0.031 0.000 0.716 453 A CB 1.043 20.067 19.000 0.040 0.000 1.223 453 A HN 0.615 nan 8.150 nan 0.000 0.425 454 L N 2.369 123.582 121.223 -0.017 0.000 2.353 454 L HA 0.417 4.757 4.340 -0.000 0.000 0.270 454 L C -0.940 175.887 176.870 -0.072 0.000 1.003 454 L CA -0.429 54.355 54.840 -0.094 0.000 0.862 454 L CB 1.335 43.444 42.059 0.083 0.000 1.221 454 L HN 0.680 nan 8.230 nan 0.000 0.430 455 C N 2.441 121.609 119.300 -0.220 0.000 2.351 455 C HA 0.682 5.142 4.460 -0.000 0.000 0.326 455 C C -0.325 174.529 174.990 -0.226 0.000 1.272 455 C CA -0.829 58.139 59.018 -0.083 0.000 1.650 455 C CB 0.448 28.181 27.740 -0.012 0.000 2.257 455 C HN 0.505 nan 8.230 nan 0.000 0.505 456 Y N 0.610 120.914 120.300 0.008 0.000 2.524 456 Y HA 0.695 5.245 4.550 -0.000 0.000 0.344 456 Y C 0.661 176.552 175.900 -0.014 0.000 1.012 456 Y CA -0.269 57.837 58.100 0.010 0.000 1.068 456 Y CB 1.745 40.219 38.460 0.022 0.000 1.249 456 Y HN 0.831 nan 8.280 nan 0.000 0.468 457 G N -0.733 108.161 108.800 0.157 0.000 2.473 457 G HA2 0.474 4.434 3.960 -0.000 0.000 0.321 457 G HA3 0.474 4.434 3.960 -0.000 0.000 0.321 457 G C 0.464 175.409 174.900 0.075 0.000 1.200 457 G CA -0.577 44.558 45.100 0.058 0.000 0.963 457 G HN 1.265 nan 8.290 nan 0.000 0.483 458 G N 0.011 108.830 108.800 0.031 0.000 2.162 458 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.260 458 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.260 458 G C 0.926 175.821 174.900 -0.007 0.000 0.976 458 G CA 0.898 46.007 45.100 0.014 0.000 0.655 458 G HN 0.534 nan 8.290 nan 0.000 0.533 459 M N -0.356 119.243 119.600 -0.002 0.000 2.306 459 M HA 0.647 5.127 4.480 -0.000 0.000 0.292 459 M C 0.819 177.101 176.300 -0.029 0.000 1.018 459 M CA 0.764 56.038 55.300 -0.045 0.000 1.007 459 M CB 0.203 32.746 32.600 -0.095 0.000 1.510 459 M HN 1.133 nan 8.290 nan 0.000 0.537 460 A N 0.521 123.339 122.820 -0.002 0.000 2.511 460 A HA 0.488 4.808 4.320 -0.000 0.000 0.293 460 A C -0.726 176.879 177.584 0.035 0.000 1.098 460 A CA -0.396 51.647 52.037 0.010 0.000 0.643 460 A CB 0.197 19.212 19.000 0.024 0.000 1.302 460 A HN 0.246 nan 8.150 nan 0.000 0.446 461 D N -0.128 120.306 120.400 0.056 0.000 2.332 461 D HA 0.206 4.846 4.640 -0.000 0.000 0.244 461 D C 0.407 176.829 176.300 0.203 0.000 1.136 461 D CA 0.390 54.470 54.000 0.133 0.000 0.884 461 D CB -0.450 40.401 40.800 0.084 0.000 0.906 461 D HN 0.739 nan 8.370 nan 0.000 0.520 462 R N -3.520 117.039 120.500 0.098 0.000 2.774 462 R HA 0.403 4.743 4.340 -0.000 0.000 0.279 462 R C -1.284 174.997 176.300 -0.032 0.000 1.022 462 R CA -0.937 55.184 56.100 0.035 0.000 0.855 462 R CB -0.261 30.099 30.300 0.100 0.000 1.279 462 R HN -0.213 nan 8.270 nan 0.000 0.485 463 T N 2.391 116.831 114.554 -0.189 0.000 2.870 463 T HA 0.403 4.753 4.350 -0.000 0.000 0.300 463 T C 0.425 175.138 174.700 0.021 0.000 0.989 463 T CA -0.117 61.889 62.100 -0.158 0.000 1.139 463 T CB -0.086 68.539 68.868 -0.405 0.000 0.920 463 T HN 0.432 nan 8.240 nan 0.000 0.537 464 I N -0.744 119.878 120.570 0.087 0.000 3.002 464 I HA 0.838 5.008 4.170 -0.000 0.000 0.310 464 I C -0.370 175.845 176.117 0.163 0.000 1.087 464 I CA -1.034 60.350 61.300 0.141 0.000 1.017 464 I CB 2.449 40.515 38.000 0.109 0.000 1.226 464 I HN 0.457 nan 8.210 nan 0.000 0.443 465 S N 2.166 117.956 115.700 0.149 0.000 2.482 465 S HA 0.726 5.196 4.470 -0.000 0.000 0.303 465 S C 0.074 174.719 174.600 0.075 0.000 1.091 465 S CA -0.466 57.805 58.200 0.118 0.000 1.057 465 S CB 1.573 64.826 63.200 0.088 0.000 1.031 465 S HN 0.912 nan 8.310 nan 0.000 0.485 466 A N 5.900 128.781 122.820 0.102 0.000 3.074 466 A HA 0.327 4.647 4.320 -0.000 0.000 0.251 466 A C 1.299 178.885 177.584 0.004 0.000 1.695 466 A CA -0.261 51.807 52.037 0.051 0.000 1.343 466 A CB -0.975 18.076 19.000 0.085 0.000 1.078 466 A HN 0.941 nan 8.150 nan 0.000 0.644 467 L N -0.125 121.077 121.223 -0.035 0.000 2.043 467 L HA -0.256 4.084 4.340 -0.000 0.000 0.212 467 L C 2.643 179.486 176.870 -0.044 0.000 1.075 467 L CA 2.077 56.877 54.840 -0.067 0.000 0.752 467 L CB -0.358 41.604 42.059 -0.163 0.000 0.891 467 L HN 0.707 nan 8.230 nan 0.000 0.432 468 K N -0.276 120.100 120.400 -0.040 0.000 2.026 468 K HA -0.170 4.150 4.320 -0.000 0.000 0.208 468 K C 2.017 178.600 176.600 -0.029 0.000 1.048 468 K CA 1.946 58.215 56.287 -0.031 0.000 0.929 468 K CB -0.066 32.416 32.500 -0.029 0.000 0.713 468 K HN 0.214 nan 8.250 nan 0.000 0.439 469 T N 0.429 114.961 114.554 -0.037 0.000 2.737 469 T HA -0.137 4.213 4.350 -0.000 0.000 0.265 469 T C 1.937 176.613 174.700 -0.041 0.000 1.038 469 T CA 2.046 64.114 62.100 -0.052 0.000 1.144 469 T CB -0.530 68.290 68.868 -0.080 0.000 0.866 469 T HN 0.601 nan 8.240 nan 0.000 0.434 470 T N 0.689 115.232 114.554 -0.018 0.000 2.821 470 T HA -0.131 4.219 4.350 -0.000 0.000 0.267 470 T C 1.997 176.711 174.700 0.022 0.000 1.046 470 T CA 1.288 63.397 62.100 0.015 0.000 1.139 470 T CB -0.454 68.438 68.868 0.039 0.000 0.871 470 T HN 0.412 nan 8.240 nan 0.000 0.454 471 Q N 1.366 121.170 119.800 0.007 0.000 2.096 471 Q HA -0.163 4.177 4.340 -0.000 0.000 0.204 471 Q C 2.145 178.154 176.000 0.016 0.000 0.982 471 Q CA 1.479 57.288 55.803 0.010 0.000 0.850 471 Q CB -0.225 28.512 28.738 -0.002 0.000 0.901 471 Q HN 0.571 nan 8.270 nan 0.000 0.422 472 K N -0.387 120.018 120.400 0.009 0.000 2.362 472 K HA -0.110 4.210 4.320 -0.000 0.000 0.200 472 K C 1.709 178.328 176.600 0.031 0.000 1.046 472 K CA 0.729 57.025 56.287 0.014 0.000 0.952 472 K CB 0.206 32.706 32.500 -0.000 0.000 0.753 472 K HN 0.260 nan 8.250 nan 0.000 0.466 473 Q N 0.316 120.140 119.800 0.041 0.000 2.356 473 Q HA 0.143 4.483 4.340 -0.000 0.000 0.205 473 Q C 0.374 176.425 176.000 0.085 0.000 0.901 473 Q CA 0.187 56.034 55.803 0.074 0.000 0.938 473 Q CB 0.259 29.054 28.738 0.096 0.000 1.081 473 Q HN 0.320 nan 8.270 nan 0.000 0.517 474 L N 0.981 122.239 121.223 0.058 0.000 2.499 474 L HA -0.021 4.319 4.340 -0.000 0.000 0.273 474 L C 0.831 177.721 176.870 0.033 0.000 1.195 474 L CA 0.208 55.073 54.840 0.041 0.000 0.882 474 L CB 0.212 42.288 42.059 0.029 0.000 1.133 474 L HN 0.157 nan 8.230 nan 0.000 0.483 475 S N -0.088 115.614 115.700 0.003 0.000 2.596 475 S HA -0.156 4.314 4.470 -0.000 0.000 0.260 475 S C 0.399 174.965 174.600 -0.057 0.000 1.282 475 S CA 1.034 59.214 58.200 -0.033 0.000 1.357 475 S CB -0.775 62.438 63.200 0.021 0.000 1.674 475 S HN 0.663 nan 8.310 nan 0.000 0.641 476 K N 0.310 120.725 120.400 0.026 0.000 2.117 476 K HA 0.733 5.053 4.320 -0.000 0.000 0.240 476 K C -0.123 176.517 176.600 0.067 0.000 1.031 476 K CA -0.009 56.365 56.287 0.145 0.000 0.909 476 K CB 0.224 32.832 32.500 0.181 0.000 1.097 476 K HN 0.111 nan 8.250 nan 0.000 0.492 477 F N -0.178 119.917 119.950 0.242 0.000 2.470 477 F HA 0.272 4.799 4.527 0.000 0.000 0.329 477 F C 0.060 176.104 175.800 0.407 0.000 1.072 477 F CA -0.732 57.458 58.000 0.318 0.000 0.989 477 F CB 0.890 40.015 39.000 0.210 0.000 1.193 477 F HN 0.347 nan 8.300 nan 0.000 0.481 478 W N 5.609 127.164 121.300 0.426 0.000 2.666 478 W HA 0.119 4.779 4.660 -0.000 0.000 0.365 478 W C -0.842 175.893 176.519 0.360 0.000 1.224 478 W CA 0.094 57.681 57.345 0.403 0.000 1.515 478 W CB -0.139 29.491 29.460 0.283 0.000 1.562 478 W HN 0.743 nan 8.180 nan 0.000 0.455 479 N N 0.746 119.628 118.700 0.303 0.000 2.972 479 N HA 0.090 4.830 4.740 -0.000 0.000 0.262 479 N C 0.390 175.996 175.510 0.159 0.000 1.478 479 N CA -0.615 52.597 53.050 0.270 0.000 0.841 479 N CB 0.470 39.075 38.487 0.198 0.000 1.512 479 N HN 0.007 nan 8.380 nan 0.000 0.548 480 E N 0.203 120.488 120.200 0.142 0.000 2.097 480 E HA -0.249 4.101 4.350 -0.000 0.000 0.196 480 E C 1.347 177.907 176.600 -0.067 0.000 1.000 480 E CA 1.791 58.199 56.400 0.013 0.000 0.804 480 E CB -0.037 29.698 29.700 0.058 0.000 0.740 480 E HN 0.588 nan 8.360 nan 0.000 0.454 481 K N 0.215 120.608 120.400 -0.012 0.000 2.057 481 K HA -0.084 4.236 4.320 -0.000 0.000 0.207 481 K C 2.205 178.778 176.600 -0.045 0.000 1.049 481 K CA 1.418 57.694 56.287 -0.017 0.000 0.931 481 K CB -0.635 31.878 32.500 0.021 0.000 0.714 481 K HN 0.331 nan 8.250 nan 0.000 0.440 482 L N 0.146 121.341 121.223 -0.047 0.000 2.093 482 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 482 L C 2.061 178.836 176.870 -0.158 0.000 1.085 482 L CA 1.035 55.831 54.840 -0.074 0.000 0.755 482 L CB -0.318 41.712 42.059 -0.048 0.000 0.904 482 L HN 0.309 nan 8.230 nan 0.000 0.435 483 L N -0.114 120.925 121.223 -0.307 0.000 2.017 483 L HA -0.238 4.102 4.340 -0.000 0.000 0.208 483 L C 2.481 179.288 176.870 -0.105 0.000 1.073 483 L CA 1.847 56.509 54.840 -0.295 0.000 0.745 483 L CB -0.688 40.929 42.059 -0.735 0.000 0.894 483 L HN 0.373 nan 8.230 nan 0.000 0.432 484 Q N -0.640 119.088 119.800 -0.120 0.000 2.050 484 Q HA -0.209 4.131 4.340 -0.000 0.000 0.202 484 Q C 1.874 177.827 176.000 -0.079 0.000 0.980 484 Q CA 1.741 57.492 55.803 -0.087 0.000 0.840 484 Q CB -0.322 28.368 28.738 -0.079 0.000 0.898 484 Q HN 0.550 nan 8.270 nan 0.000 0.424 485 D N 0.207 120.559 120.400 -0.080 0.000 2.117 485 D HA -0.113 4.527 4.640 -0.000 0.000 0.197 485 D C 2.036 178.267 176.300 -0.116 0.000 0.987 485 D CA 0.891 54.845 54.000 -0.077 0.000 0.829 485 D CB -0.146 40.622 40.800 -0.053 0.000 0.961 485 D HN 0.033 nan 8.370 nan 0.000 0.460 486 V N 0.533 120.339 119.914 -0.180 0.000 2.358 486 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 486 V C 2.682 178.613 176.094 -0.272 0.000 1.047 486 V CA 1.181 63.282 62.300 -0.331 0.000 1.035 486 V CB -0.438 30.925 31.823 -0.767 0.000 0.658 486 V HN 0.287 nan 8.190 nan 0.000 0.452 487 C N 0.202 119.410 119.300 -0.153 0.000 2.429 487 C HA -0.096 4.364 4.460 -0.000 0.000 0.277 487 C C 3.094 178.045 174.990 -0.064 0.000 1.262 487 C CA 0.866 59.855 59.018 -0.048 0.000 1.733 487 C CB -1.296 26.479 27.740 0.058 0.000 2.010 487 C HN 0.632 nan 8.230 nan 0.000 0.483 488 A N 0.574 123.351 122.820 -0.072 0.000 1.933 488 A HA 0.080 4.400 4.320 -0.000 0.000 0.218 488 A C 2.362 179.903 177.584 -0.072 0.000 1.175 488 A CA 2.046 54.044 52.037 -0.065 0.000 0.628 488 A CB -1.116 17.849 19.000 -0.059 0.000 0.814 488 A HN 0.558 nan 8.150 nan 0.000 0.444 489 G N -0.103 108.643 108.800 -0.090 0.000 2.404 489 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.215 489 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.215 489 G C 1.552 176.395 174.900 -0.096 0.000 1.174 489 G CA 0.971 46.018 45.100 -0.088 0.000 0.780 489 G HN 0.417 nan 8.290 nan 0.000 0.537 490 L N 0.843 121.993 121.223 -0.121 0.000 2.042 490 L HA -0.108 4.232 4.340 -0.000 0.000 0.210 490 L C 3.409 180.203 176.870 -0.126 0.000 1.076 490 L CA 1.093 55.852 54.840 -0.135 0.000 0.749 490 L CB -0.413 41.559 42.059 -0.146 0.000 0.893 490 L HN 0.308 nan 8.230 nan 0.000 0.432 491 A N -0.607 122.155 122.820 -0.097 0.000 1.972 491 A HA -0.251 4.069 4.320 -0.000 0.000 0.219 491 A C 2.301 179.841 177.584 -0.074 0.000 1.169 491 A CA 1.978 53.966 52.037 -0.082 0.000 0.635 491 A CB -0.397 18.568 19.000 -0.058 0.000 0.810 491 A HN 0.527 nan 8.150 nan 0.000 0.446 492 E N -0.630 119.529 120.200 -0.068 0.000 2.057 492 E HA -0.147 4.203 4.350 -0.000 0.000 0.190 492 E C 2.047 178.612 176.600 -0.058 0.000 0.969 492 E CA 0.868 57.235 56.400 -0.055 0.000 0.812 492 E CB -0.190 29.483 29.700 -0.046 0.000 0.777 492 E HN 0.712 nan 8.360 nan 0.000 0.455 493 E N 0.374 120.534 120.200 -0.066 0.000 2.106 493 E HA -0.114 4.236 4.350 -0.000 0.000 0.192 493 E C 1.097 177.652 176.600 -0.075 0.000 0.984 493 E CA 0.693 57.056 56.400 -0.062 0.000 0.806 493 E CB 0.101 29.765 29.700 -0.059 0.000 0.750 493 E HN 0.265 nan 8.360 nan 0.000 0.458 494 L N 2.448 123.605 121.223 -0.111 0.000 3.036 494 L HA 0.220 4.560 4.340 -0.000 0.000 0.237 494 L C 0.292 177.091 176.870 -0.118 0.000 1.319 494 L CA -0.673 54.084 54.840 -0.138 0.000 1.112 494 L CB 0.083 41.994 42.059 -0.247 0.000 1.480 494 L HN 0.049 nan 8.230 nan 0.000 0.506 495 S N 0.512 116.163 115.700 -0.082 0.000 2.579 495 S HA 0.539 5.009 4.470 -0.000 0.000 0.275 495 S C -0.293 174.270 174.600 -0.061 0.000 1.345 495 S CA -0.375 57.785 58.200 -0.066 0.000 1.031 495 S CB 1.406 64.578 63.200 -0.048 0.000 0.892 495 S HN 0.288 nan 8.310 nan 0.000 0.529 496 L N 2.043 123.234 121.223 -0.053 0.000 2.410 496 L HA 0.474 4.814 4.340 -0.000 0.000 0.270 496 L C 0.120 176.970 176.870 -0.033 0.000 0.983 496 L CA -0.742 54.071 54.840 -0.046 0.000 0.822 496 L CB 2.447 44.475 42.059 -0.052 0.000 1.285 496 L HN 0.970 nan 8.230 nan 0.000 0.409 497 S N 1.167 116.851 115.700 -0.028 0.000 2.616 497 S HA 0.422 4.892 4.470 -0.000 0.000 0.277 497 S C -2.024 172.566 174.600 -0.017 0.000 1.234 497 S CA -1.254 56.934 58.200 -0.020 0.000 1.028 497 S CB 1.475 64.665 63.200 -0.018 0.000 0.988 497 S HN 0.404 nan 8.310 nan 0.000 0.522 498 P HA -0.193 nan 4.420 nan 0.000 0.218 498 P C 0.739 178.035 177.300 -0.006 0.000 1.152 498 P CA 1.629 64.725 63.100 -0.006 0.000 0.857 498 P CB -0.104 31.594 31.700 -0.002 0.000 0.787 499 D N -1.567 118.828 120.400 -0.009 0.000 2.336 499 D HA 0.106 4.746 4.640 -0.000 0.000 0.228 499 D C 0.231 176.519 176.300 -0.020 0.000 1.120 499 D CA -0.261 53.734 54.000 -0.009 0.000 0.839 499 D CB -0.434 40.362 40.800 -0.006 0.000 0.932 499 D HN 0.015 nan 8.370 nan 0.000 0.509 500 A N 1.781 124.586 122.820 -0.025 0.000 2.524 500 A HA 0.302 4.622 4.320 -0.000 0.000 0.250 500 A C -2.164 175.392 177.584 -0.047 0.000 1.078 500 A CA -0.829 51.186 52.037 -0.036 0.000 0.761 500 A CB -0.247 18.731 19.000 -0.037 0.000 1.012 500 A HN 0.067 nan 8.150 nan 0.000 0.500 501 P HA 0.299 nan 4.420 nan 0.000 0.264 501 P C 1.116 178.359 177.300 -0.094 0.000 1.193 501 P CA 1.666 64.715 63.100 -0.084 0.000 0.763 501 P CB 0.755 32.400 31.700 -0.091 0.000 0.810 502 G N 1.944 110.664 108.800 -0.133 0.000 2.254 502 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.225 502 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.225 502 G C 0.684 175.512 174.900 -0.121 0.000 1.003 502 G CA 0.128 45.144 45.100 -0.139 0.000 0.622 502 G HN 0.986 nan 8.290 nan 0.000 0.507 503 G N 0.264 109.017 108.800 -0.078 0.000 2.564 503 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.273 503 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.273 503 G C 0.766 175.657 174.900 -0.015 0.000 1.242 503 G CA 0.920 45.993 45.100 -0.045 0.000 0.951 503 G HN 1.811 nan 8.290 nan 0.000 0.564 504 M N -1.400 118.212 119.600 0.019 0.000 2.206 504 M HA -0.217 4.263 4.480 -0.000 0.000 0.197 504 M C 1.373 177.724 176.300 0.084 0.000 0.375 504 M CA 0.626 55.983 55.300 0.096 0.000 0.410 504 M CB -1.438 31.270 32.600 0.181 0.000 1.204 504 M HN 0.524 nan 8.290 nan 0.000 0.932 505 I N 0.653 121.247 120.570 0.040 0.000 2.076 505 I HA -0.250 3.920 4.170 -0.000 0.000 0.237 505 I C 2.264 178.390 176.117 0.016 0.000 1.059 505 I CA 2.306 63.612 61.300 0.010 0.000 1.317 505 I CB -0.323 37.677 38.000 0.001 0.000 1.037 505 I HN 0.420 nan 8.210 nan 0.000 0.398 506 E N -0.585 119.642 120.200 0.045 0.000 2.118 506 E HA -0.267 4.083 4.350 -0.000 0.000 0.195 506 E C 2.191 178.845 176.600 0.091 0.000 0.992 506 E CA 1.384 57.814 56.400 0.050 0.000 0.804 506 E CB -0.387 29.347 29.700 0.058 0.000 0.741 506 E HN 0.406 nan 8.360 nan 0.000 0.458 507 F N 2.110 122.032 119.950 -0.047 0.000 2.102 507 F HA -0.123 4.404 4.527 -0.000 0.000 0.298 507 F C 2.162 177.903 175.800 -0.099 0.000 1.105 507 F CA 1.501 59.464 58.000 -0.062 0.000 1.239 507 F CB -0.139 38.836 39.000 -0.041 0.000 0.991 507 F HN -0.217 nan 8.300 nan 0.000 0.474 508 R N -0.065 120.292 120.500 -0.238 0.000 2.081 508 R HA -0.110 4.230 4.340 -0.000 0.000 0.235 508 R C 2.375 178.491 176.300 -0.307 0.000 1.131 508 R CA 1.539 57.415 56.100 -0.374 0.000 0.960 508 R CB -0.310 29.867 30.300 -0.204 0.000 0.856 508 R HN 0.298 nan 8.270 nan 0.000 0.436 509 R N -0.424 119.961 120.500 -0.190 0.000 2.081 509 R HA -0.068 4.272 4.340 -0.000 0.000 0.235 509 R C 2.266 178.457 176.300 -0.182 0.000 1.131 509 R CA 1.813 57.811 56.100 -0.170 0.000 0.960 509 R CB -0.439 29.801 30.300 -0.100 0.000 0.856 509 R HN 0.159 nan 8.270 nan 0.000 0.436 510 T N 1.598 116.061 114.554 -0.153 0.000 2.788 510 T HA -0.083 4.267 4.350 -0.000 0.000 0.268 510 T C 1.834 176.357 174.700 -0.294 0.000 1.044 510 T CA 1.000 63.019 62.100 -0.134 0.000 1.139 510 T CB -0.105 68.748 68.868 -0.026 0.000 0.867 510 T HN 0.129 nan 8.240 nan 0.000 0.454 511 L N 1.224 122.156 121.223 -0.485 0.000 2.093 511 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 511 L C 3.118 179.576 176.870 -0.686 0.000 1.085 511 L CA 1.629 55.985 54.840 -0.806 0.000 0.755 511 L CB -1.137 40.285 42.059 -1.061 0.000 0.904 511 L HN 0.467 nan 8.230 nan 0.000 0.435 512 T N -1.831 112.497 114.554 -0.376 0.000 2.720 512 T HA -0.181 4.169 4.350 -0.000 0.000 0.268 512 T C 1.737 176.442 174.700 0.008 0.000 1.037 512 T CA 1.140 63.152 62.100 -0.147 0.000 1.144 512 T CB -0.372 68.232 68.868 -0.440 0.000 0.864 512 T HN 0.070 nan 8.240 nan 0.000 0.444 513 L N 1.406 122.568 121.223 -0.102 0.000 2.072 513 L HA 0.165 4.505 4.340 -0.000 0.000 0.205 513 L C 3.101 179.860 176.870 -0.184 0.000 1.079 513 L CA 1.327 56.152 54.840 -0.025 0.000 0.752 513 L CB -1.097 40.973 42.059 0.018 0.000 0.906 513 L HN 0.238 nan 8.230 nan 0.000 0.436 514 S N -0.813 114.637 115.700 -0.418 0.000 2.382 514 S HA -0.092 4.378 4.470 -0.000 0.000 0.228 514 S C 1.990 176.436 174.600 -0.258 0.000 1.027 514 S CA 1.176 59.035 58.200 -0.569 0.000 0.991 514 S CB -0.440 62.447 63.200 -0.521 0.000 0.823 514 S HN 0.311 nan 8.310 nan 0.000 0.469 515 F N -0.012 119.783 119.950 -0.259 0.000 2.146 515 F HA -0.083 4.444 4.527 -0.000 0.000 0.298 515 F C 2.139 177.834 175.800 -0.176 0.000 1.096 515 F CA 0.654 58.416 58.000 -0.397 0.000 1.275 515 F CB -0.243 38.685 39.000 -0.121 0.000 1.008 515 F HN 0.211 nan 8.300 nan 0.000 0.480 516 F N 0.274 120.335 119.950 0.184 0.000 2.186 516 F HA -0.241 4.286 4.527 -0.000 0.000 0.299 516 F C 2.079 178.062 175.800 0.304 0.000 1.090 516 F CA 0.970 59.142 58.000 0.287 0.000 1.307 516 F CB -0.721 38.435 39.000 0.260 0.000 1.019 516 F HN -0.059 nan 8.300 nan 0.000 0.489 517 F N 1.610 121.475 119.950 -0.141 0.000 2.102 517 F HA -0.161 4.366 4.527 -0.000 0.000 0.298 517 F C 2.268 177.951 175.800 -0.195 0.000 1.105 517 F CA 1.893 59.749 58.000 -0.241 0.000 1.239 517 F CB -0.767 37.890 39.000 -0.572 0.000 0.991 517 F HN -0.129 nan 8.300 nan 0.000 0.474 518 K N -0.930 119.270 120.400 -0.333 0.000 2.097 518 K HA -0.221 4.099 4.320 -0.000 0.000 0.206 518 K C 2.145 178.718 176.600 -0.046 0.000 1.049 518 K CA 1.697 57.779 56.287 -0.342 0.000 0.933 518 K CB -0.736 31.475 32.500 -0.481 0.000 0.717 518 K HN 0.311 nan 8.250 nan 0.000 0.442 519 F N 0.984 120.882 119.950 -0.086 0.000 2.102 519 F HA -0.253 4.274 4.527 -0.000 0.000 0.298 519 F C 2.251 178.059 175.800 0.014 0.000 1.105 519 F CA 1.189 59.230 58.000 0.067 0.000 1.239 519 F CB -0.709 38.348 39.000 0.095 0.000 0.991 519 F HN 0.031 nan 8.300 nan 0.000 0.474 520 Y N 0.759 120.856 120.300 -0.339 0.000 2.128 520 Y HA -0.251 4.299 4.550 -0.000 0.000 0.284 520 Y C 2.119 177.984 175.900 -0.058 0.000 1.154 520 Y CA 2.196 60.159 58.100 -0.229 0.000 1.149 520 Y CB -0.716 37.465 38.460 -0.465 0.000 0.976 520 Y HN 0.124 nan 8.280 nan 0.000 0.505 521 L N -1.115 119.927 121.223 -0.302 0.000 2.056 521 L HA -0.215 4.125 4.340 -0.000 0.000 0.207 521 L C 2.317 179.032 176.870 -0.257 0.000 1.078 521 L CA 1.769 56.410 54.840 -0.331 0.000 0.749 521 L CB -0.970 40.876 42.059 -0.356 0.000 0.901 521 L HN 0.195 nan 8.230 nan 0.000 0.433 522 T N -0.523 113.912 114.554 -0.198 0.000 2.788 522 T HA -0.138 4.212 4.350 -0.000 0.000 0.268 522 T C 1.997 176.507 174.700 -0.315 0.000 1.044 522 T CA 1.173 63.175 62.100 -0.163 0.000 1.139 522 T CB -0.136 68.722 68.868 -0.015 0.000 0.867 522 T HN 0.058 nan 8.240 nan 0.000 0.454 523 V N 1.252 120.896 119.914 -0.450 0.000 2.427 523 V HA -0.046 4.074 4.120 -0.000 0.000 0.248 523 V C 2.439 178.152 176.094 -0.636 0.000 1.051 523 V CA 1.192 63.072 62.300 -0.699 0.000 1.048 523 V CB -0.572 30.669 31.823 -0.970 0.000 0.666 523 V HN 0.432 nan 8.190 nan 0.000 0.456 524 L N -0.141 120.836 121.223 -0.409 0.000 2.046 524 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 524 L C 2.602 179.289 176.870 -0.306 0.000 1.077 524 L CA 1.918 56.566 54.840 -0.320 0.000 0.747 524 L CB -0.500 41.381 42.059 -0.296 0.000 0.896 524 L HN 0.321 nan 8.230 nan 0.000 0.432 525 K N 0.469 120.700 120.400 -0.281 0.000 2.057 525 K HA -0.200 4.120 4.320 -0.000 0.000 0.207 525 K C 2.077 178.516 176.600 -0.268 0.000 1.049 525 K CA 1.394 57.552 56.287 -0.216 0.000 0.931 525 K CB 0.100 32.507 32.500 -0.156 0.000 0.714 525 K HN 0.194 nan 8.250 nan 0.000 0.440 526 K N 0.348 120.497 120.400 -0.419 0.000 2.217 526 K HA -0.037 4.283 4.320 -0.000 0.000 0.202 526 K C 1.758 178.019 176.600 -0.565 0.000 1.051 526 K CA 0.766 56.731 56.287 -0.536 0.000 0.952 526 K CB 0.058 32.003 32.500 -0.924 0.000 0.736 526 K HN 0.181 nan 8.250 nan 0.000 0.453 527 L N 0.725 121.591 121.223 -0.595 0.000 2.610 527 L HA 0.027 4.367 4.340 -0.000 0.000 0.232 527 L C 1.183 177.909 176.870 -0.240 0.000 1.149 527 L CA -0.405 54.179 54.840 -0.427 0.000 0.872 527 L CB -0.190 41.572 42.059 -0.494 0.000 0.992 527 L HN 0.134 nan 8.230 nan 0.000 0.447 538 L N 1.559 122.754 121.223 -0.047 0.000 2.454 538 L HA 0.347 4.687 4.340 -0.000 0.000 0.256 538 L C 0.509 177.373 176.870 -0.010 0.000 1.136 538 L CA -0.781 54.038 54.840 -0.035 0.000 0.804 538 L CB 0.639 42.704 42.059 0.010 0.000 1.181 538 L HN 0.695 nan 8.230 nan 0.000 0.469 539 D N 0.831 121.218 120.400 -0.021 0.000 2.382 539 D HA 0.064 4.704 4.640 -0.000 0.000 0.245 539 D C -1.854 174.522 176.300 0.126 0.000 1.120 539 D CA -1.435 52.580 54.000 0.025 0.000 0.890 539 D CB 1.926 42.709 40.800 -0.029 0.000 1.201 539 D HN 0.185 nan 8.370 nan 0.000 0.433 540 P HA -0.127 nan 4.420 nan 0.000 0.217 540 P C 1.094 178.451 177.300 0.095 0.000 1.148 540 P CA 1.645 64.787 63.100 0.071 0.000 0.828 540 P CB 0.076 31.796 31.700 0.034 0.000 0.783 541 T N -6.171 108.472 114.554 0.148 0.000 3.148 541 T HA -0.019 4.331 4.350 -0.000 0.000 0.253 541 T C 1.244 176.082 174.700 0.230 0.000 1.134 541 T CA 0.633 62.806 62.100 0.122 0.000 1.051 541 T CB -0.735 68.187 68.868 0.090 0.000 0.959 541 T HN 0.032 nan 8.240 nan 0.000 0.525 542 Y N 1.905 122.292 120.300 0.143 0.000 2.524 542 Y HA 0.138 4.688 4.550 -0.000 0.000 0.270 542 Y C 2.878 178.876 175.900 0.164 0.000 1.094 542 Y CA 0.367 58.629 58.100 0.270 0.000 1.276 542 Y CB -0.341 38.271 38.460 0.254 0.000 1.130 542 Y HN 0.393 nan 8.280 nan 0.000 0.536 543 T N -1.725 112.968 114.554 0.232 0.000 2.653 543 T HA -0.296 4.054 4.350 -0.000 0.000 0.268 543 T C 2.118 176.885 174.700 0.112 0.000 1.035 543 T CA 1.934 64.111 62.100 0.129 0.000 1.154 543 T CB -1.080 67.839 68.868 0.085 0.000 0.862 543 T HN 0.366 nan 8.240 nan 0.000 0.441 544 S N 2.079 117.849 115.700 0.116 0.000 2.493 544 S HA 0.185 4.655 4.470 -0.000 0.000 0.243 544 S C 2.214 176.899 174.600 0.143 0.000 0.991 544 S CA 0.693 58.967 58.200 0.123 0.000 0.957 544 S CB -0.770 62.502 63.200 0.119 0.000 0.756 544 S HN 0.847 nan 8.310 nan 0.000 0.521 545 A N 1.668 124.571 122.820 0.138 0.000 2.119 545 A HA 0.108 4.428 4.320 -0.000 0.000 0.216 545 A C 2.285 179.885 177.584 0.028 0.000 1.152 545 A CA 1.273 53.357 52.037 0.077 0.000 0.708 545 A CB -0.856 18.120 19.000 -0.040 0.000 0.805 545 A HN 0.744 nan 8.150 nan 0.000 0.460 546 T N -2.658 111.927 114.554 0.052 0.000 3.069 546 T HA 0.424 4.774 4.350 -0.000 0.000 0.252 546 T C 0.401 175.170 174.700 0.114 0.000 1.053 546 T CA -0.298 61.842 62.100 0.066 0.000 0.964 546 T CB -0.406 68.474 68.868 0.021 0.000 1.005 546 T HN 0.179 nan 8.240 nan 0.000 0.532 547 L N 2.171 123.467 121.223 0.122 0.000 2.380 547 L HA 0.440 4.780 4.340 -0.000 0.000 0.273 547 L C 0.284 177.259 176.870 0.176 0.000 1.138 547 L CA -0.825 54.093 54.840 0.131 0.000 0.832 547 L CB 0.876 43.005 42.059 0.116 0.000 1.124 547 L HN 0.151 nan 8.230 nan 0.000 0.454 548 L N 2.358 123.688 121.223 0.178 0.000 2.418 548 L HA 0.227 4.567 4.340 -0.000 0.000 0.265 548 L C 0.117 177.152 176.870 0.276 0.000 1.143 548 L CA -0.491 54.492 54.840 0.240 0.000 0.809 548 L CB 0.605 42.788 42.059 0.207 0.000 1.124 548 L HN 0.387 nan 8.230 nan 0.000 0.456 549 F N 2.445 122.528 119.950 0.221 0.000 2.548 549 F HA -0.085 4.442 4.527 -0.000 0.000 0.403 549 F C 0.413 176.355 175.800 0.237 0.000 1.004 549 F CA 0.373 58.510 58.000 0.228 0.000 1.177 549 F CB 0.194 39.361 39.000 0.279 0.000 0.974 549 F HN 0.417 nan 8.300 nan 0.000 0.541 550 Q N 5.182 124.805 119.800 -0.295 0.000 2.325 550 Q HA 0.324 4.664 4.340 -0.000 0.000 0.270 550 Q C -1.282 174.539 176.000 -0.299 0.000 1.020 550 Q CA -0.990 54.740 55.803 -0.121 0.000 0.785 550 Q CB 1.379 30.115 28.738 -0.003 0.000 1.259 550 Q HN 0.502 nan 8.270 nan 0.000 0.452 551 K N 2.617 122.941 120.400 -0.127 0.000 2.172 551 K HA 0.302 4.622 4.320 -0.000 0.000 0.276 551 K C -0.925 175.602 176.600 -0.122 0.000 1.013 551 K CA -0.329 55.817 56.287 -0.235 0.000 0.913 551 K CB 0.488 33.020 32.500 0.052 0.000 1.055 551 K HN 0.679 nan 8.250 nan 0.000 0.461 552 H N 2.108 121.184 119.070 0.010 0.000 2.496 552 H HA 0.395 4.951 4.556 -0.000 0.000 0.342 552 H C -2.160 173.206 175.328 0.063 0.000 1.170 552 H CA -2.887 53.176 56.048 0.025 0.000 1.274 552 H CB -0.207 29.556 29.762 0.002 0.000 1.538 552 H HN 0.420 nan 8.280 nan 0.000 0.542 553 P HA 0.048 nan 4.420 nan 0.000 0.263 553 P C -2.197 175.185 177.300 0.138 0.000 1.195 553 P CA -0.691 62.486 63.100 0.129 0.000 0.762 553 P CB -0.043 31.724 31.700 0.112 0.000 0.799 554 P HA 0.286 nan 4.420 nan 0.000 0.275 554 P C -1.280 176.106 177.300 0.143 0.000 1.227 554 P CA -0.262 62.929 63.100 0.151 0.000 0.781 554 P CB 1.055 32.857 31.700 0.171 0.000 0.906 555 A N 3.150 126.057 122.820 0.144 0.000 2.375 555 A HA 0.563 4.883 4.320 -0.000 0.000 0.295 555 A C -0.838 176.828 177.584 0.137 0.000 1.066 555 A CA -0.652 51.459 52.037 0.123 0.000 0.722 555 A CB 0.785 19.844 19.000 0.098 0.000 1.206 555 A HN 0.538 nan 8.150 nan 0.000 0.435 556 N N 2.322 121.096 118.700 0.122 0.000 2.346 556 N HA 0.564 5.304 4.740 -0.000 0.000 0.289 556 N C -1.384 174.163 175.510 0.063 0.000 1.027 556 N CA -0.400 52.716 53.050 0.110 0.000 0.864 556 N CB 2.024 40.586 38.487 0.126 0.000 1.370 556 N HN 0.429 nan 8.380 nan 0.000 0.481 557 I N 1.939 122.532 120.570 0.038 0.000 2.499 557 I HA 0.282 4.452 4.170 -0.000 0.000 0.288 557 I C -0.538 175.581 176.117 0.002 0.000 1.048 557 I CA -0.608 60.702 61.300 0.017 0.000 1.062 557 I CB 1.832 39.840 38.000 0.013 0.000 1.238 557 I HN 0.298 nan 8.210 nan 0.000 0.426 558 Q N 5.902 125.714 119.800 0.021 0.000 2.333 558 Q HA 0.722 5.062 4.340 -0.000 0.000 0.267 558 Q C -1.091 174.969 176.000 0.101 0.000 1.012 558 Q CA -0.231 55.605 55.803 0.054 0.000 0.824 558 Q CB 2.960 31.750 28.738 0.087 0.000 1.290 558 Q HN 0.481 nan 8.270 nan 0.000 0.449 559 L N 4.368 125.650 121.223 0.099 0.000 2.362 559 L HA 0.746 5.086 4.340 -0.000 0.000 0.275 559 L C -0.856 176.113 176.870 0.166 0.000 0.998 559 L CA -0.888 53.981 54.840 0.048 0.000 0.820 559 L CB 0.664 42.717 42.059 -0.011 0.000 1.270 559 L HN 0.684 nan 8.230 nan 0.000 0.415 560 F N 0.183 120.110 119.950 -0.039 0.000 2.754 560 F HA 0.560 5.087 4.527 -0.000 0.000 0.320 560 F C -0.817 174.966 175.800 -0.030 0.000 1.156 560 F CA -1.129 56.850 58.000 -0.034 0.000 0.950 560 F CB 1.672 40.649 39.000 -0.039 0.000 1.388 560 F HN 0.356 nan 8.300 nan 0.000 0.485 561 Q N 1.516 121.400 119.800 0.141 0.000 2.257 561 Q HA 0.314 4.654 4.340 -0.000 0.000 0.255 561 Q C -0.651 175.376 176.000 0.045 0.000 0.920 561 Q CA -0.693 55.118 55.803 0.013 0.000 0.927 561 Q CB 1.494 30.258 28.738 0.044 0.000 1.229 561 Q HN 0.649 nan 8.270 nan 0.000 0.433 562 E N 2.185 122.342 120.200 -0.072 0.000 2.404 562 E HA 0.147 4.497 4.350 -0.000 0.000 0.261 562 E C -0.838 175.773 176.600 0.018 0.000 1.074 562 E CA -0.370 56.013 56.400 -0.028 0.000 0.917 562 E CB 0.837 30.491 29.700 -0.077 0.000 0.965 562 E HN 0.418 nan 8.360 nan 0.000 0.433 563 V N 1.267 121.201 119.914 0.033 0.000 3.133 563 V HA 0.470 4.590 4.120 -0.000 0.000 0.305 563 V C -2.062 174.031 176.094 -0.001 0.000 1.084 563 V CA -1.837 60.473 62.300 0.017 0.000 1.089 563 V CB 0.280 32.111 31.823 0.013 0.000 1.073 563 V HN 0.712 nan 8.190 nan 0.000 0.477 564 P HA -0.003 nan 4.420 nan 0.000 0.261 564 P C 1.033 178.327 177.300 -0.010 0.000 1.173 564 P CA 0.794 63.887 63.100 -0.010 0.000 0.760 564 P CB 0.064 31.757 31.700 -0.013 0.000 0.783 565 N N 3.036 121.729 118.700 -0.011 0.000 2.106 565 N HA -0.232 4.508 4.740 -0.000 0.000 0.200 565 N C 1.415 176.921 175.510 -0.007 0.000 1.014 565 N CA 1.857 54.901 53.050 -0.010 0.000 0.891 565 N CB -0.417 38.064 38.487 -0.010 0.000 1.069 565 N HN 0.560 nan 8.380 nan 0.000 0.490 566 G N 0.396 109.192 108.800 -0.006 0.000 3.314 566 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.238 566 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.238 566 G C 0.211 175.108 174.900 -0.005 0.000 1.184 566 G CA -0.391 44.707 45.100 -0.004 0.000 0.806 566 G HN 0.478 nan 8.290 nan 0.000 0.536 567 Q N 1.088 120.883 119.800 -0.009 0.000 2.330 567 Q HA 0.226 4.566 4.340 -0.000 0.000 0.279 567 Q C 0.616 176.609 176.000 -0.011 0.000 1.024 567 Q CA -0.239 55.555 55.803 -0.015 0.000 0.900 567 Q CB 0.454 29.179 28.738 -0.021 0.000 1.221 567 Q HN 0.191 nan 8.270 nan 0.000 0.396 568 S N 2.613 118.305 115.700 -0.013 0.000 2.558 568 S HA -0.045 4.425 4.470 -0.000 0.000 0.288 568 S C 0.927 175.521 174.600 -0.011 0.000 1.318 568 S CA 0.037 58.231 58.200 -0.009 0.000 1.056 568 S CB 0.755 63.950 63.200 -0.009 0.000 0.853 568 S HN 0.816 nan 8.310 nan 0.000 0.505 569 K N 2.630 123.027 120.400 -0.005 0.000 2.211 569 K HA -0.067 4.253 4.320 -0.000 0.000 0.203 569 K C 1.666 178.261 176.600 -0.008 0.000 1.050 569 K CA 1.426 57.711 56.287 -0.003 0.000 0.945 569 K CB -0.076 32.426 32.500 0.002 0.000 0.732 569 K HN 0.758 nan 8.250 nan 0.000 0.451 570 E N 0.454 120.646 120.200 -0.014 0.000 2.347 570 E HA -0.114 4.236 4.350 -0.000 0.000 0.196 570 E C -0.167 176.413 176.600 -0.034 0.000 1.008 570 E CA 0.205 56.590 56.400 -0.024 0.000 0.852 570 E CB 0.174 29.856 29.700 -0.029 0.000 0.783 570 E HN 0.190 nan 8.360 nan 0.000 0.505 571 D N 0.452 120.830 120.400 -0.037 0.000 2.393 571 D HA -0.018 4.622 4.640 -0.000 0.000 0.232 571 D C 0.685 176.955 176.300 -0.051 0.000 1.192 571 D CA 0.066 54.032 54.000 -0.058 0.000 0.882 571 D CB 1.018 41.775 40.800 -0.071 0.000 1.038 571 D HN -0.018 nan 8.370 nan 0.000 0.499 572 T N 0.088 114.613 114.554 -0.047 0.000 3.107 572 T HA 0.084 4.434 4.350 -0.000 0.000 0.249 572 T C 0.907 175.581 174.700 -0.044 0.000 1.096 572 T CA -0.302 61.780 62.100 -0.031 0.000 1.012 572 T CB -0.088 68.771 68.868 -0.014 0.000 0.977 572 T HN 0.078 nan 8.240 nan 0.000 0.527 573 V N 2.303 122.167 119.914 -0.083 0.000 2.493 573 V HA 0.464 4.584 4.120 -0.000 0.000 0.292 573 V C 1.666 177.715 176.094 -0.075 0.000 1.016 573 V CA 1.185 63.426 62.300 -0.100 0.000 1.097 573 V CB -0.251 31.435 31.823 -0.229 0.000 0.947 573 V HN 0.851 nan 8.190 nan 0.000 0.479 574 G N 4.837 113.612 108.800 -0.042 0.000 2.213 574 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.226 574 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.226 574 G C 0.282 175.187 174.900 0.008 0.000 0.992 574 G CA -0.162 44.929 45.100 -0.015 0.000 0.632 574 G HN 0.595 nan 8.290 nan 0.000 0.511 575 R N 1.076 121.573 120.500 -0.004 0.000 2.536 575 R HA 0.469 4.809 4.340 -0.000 0.000 0.279 575 R C -2.265 174.016 176.300 -0.032 0.000 1.001 575 R CA -1.606 54.505 56.100 0.018 0.000 1.027 575 R CB 1.282 31.598 30.300 0.028 0.000 1.096 575 R HN 0.042 nan 8.270 nan 0.000 0.502 576 P HA 0.009 nan 4.420 nan 0.000 0.226 576 P C -0.650 176.681 177.300 0.052 0.000 1.783 576 P CA -0.142 62.891 63.100 -0.111 0.000 0.980 576 P CB -0.087 31.528 31.700 -0.141 0.000 1.967 577 L N 3.879 125.126 121.223 0.041 0.000 2.410 577 L HA 0.306 4.646 4.340 -0.000 0.000 0.273 577 L C -2.142 174.834 176.870 0.176 0.000 1.144 577 L CA -1.949 52.952 54.840 0.101 0.000 0.863 577 L CB -0.161 41.925 42.059 0.046 0.000 1.140 577 L HN 0.045 nan 8.230 nan 0.000 0.463 578 P HA -0.023 nan 4.420 nan 0.000 0.272 578 P C -0.611 176.815 177.300 0.210 0.000 1.223 578 P CA -0.194 63.090 63.100 0.307 0.000 0.784 578 P CB 0.295 32.069 31.700 0.123 0.000 0.923 579 H N 2.388 121.535 119.070 0.129 0.000 3.167 579 H HA -0.042 4.514 4.556 -0.000 0.000 0.306 579 H C 1.237 176.604 175.328 0.065 0.000 0.965 579 H CA 0.603 56.697 56.048 0.077 0.000 1.408 579 H CB 0.331 30.134 29.762 0.069 0.000 1.406 579 H HN 0.339 nan 8.280 nan 0.000 0.576 580 L N 4.137 125.407 121.223 0.078 0.000 2.187 580 L HA -0.200 4.140 4.340 -0.000 0.000 0.213 580 L C 2.201 179.198 176.870 0.211 0.000 1.100 580 L CA 1.491 56.403 54.840 0.119 0.000 0.765 580 L CB -0.298 41.779 42.059 0.031 0.000 0.904 580 L HN 0.626 nan 8.230 nan 0.000 0.437 581 A N -1.011 122.053 122.820 0.406 0.000 2.348 581 A HA 0.416 4.736 4.320 -0.000 0.000 0.224 581 A C 2.290 179.951 177.584 0.129 0.000 1.227 581 A CA 0.618 52.797 52.037 0.237 0.000 0.885 581 A CB -0.126 19.003 19.000 0.215 0.000 0.933 581 A HN 0.267 nan 8.150 nan 0.000 0.506 582 A N 0.595 123.498 122.820 0.139 0.000 1.892 582 A HA 0.016 4.336 4.320 -0.000 0.000 0.218 582 A C 2.453 180.060 177.584 0.038 0.000 1.188 582 A CA 2.221 54.279 52.037 0.035 0.000 0.631 582 A CB -0.980 18.054 19.000 0.056 0.000 0.822 582 A HN 1.117 nan 8.150 nan 0.000 0.447 583 A N -0.801 122.052 122.820 0.055 0.000 1.902 583 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 583 A C 2.265 179.879 177.584 0.050 0.000 1.181 583 A CA 1.916 53.981 52.037 0.047 0.000 0.623 583 A CB -0.534 18.497 19.000 0.051 0.000 0.818 583 A HN 0.553 nan 8.150 nan 0.000 0.443 584 M N -1.132 118.502 119.600 0.057 0.000 2.319 584 M HA -0.160 4.320 4.480 -0.000 0.000 0.265 584 M C 2.302 178.636 176.300 0.058 0.000 1.068 584 M CA 1.237 56.569 55.300 0.052 0.000 1.118 584 M CB -0.277 32.354 32.600 0.052 0.000 1.395 584 M HN 0.499 nan 8.290 nan 0.000 0.435 585 Q N 0.023 119.860 119.800 0.061 0.000 2.123 585 Q HA -0.040 4.300 4.340 -0.000 0.000 0.199 585 Q C 2.221 178.266 176.000 0.077 0.000 0.966 585 Q CA 1.444 57.302 55.803 0.092 0.000 0.845 585 Q CB -0.152 28.630 28.738 0.073 0.000 0.907 585 Q HN 0.566 nan 8.270 nan 0.000 0.439 586 A N 0.805 123.659 122.820 0.057 0.000 2.014 586 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 586 A C 2.106 179.720 177.584 0.050 0.000 1.163 586 A CA 1.514 53.587 52.037 0.060 0.000 0.652 586 A CB -0.258 18.776 19.000 0.058 0.000 0.808 586 A HN 0.393 nan 8.150 nan 0.000 0.449 587 S N -2.418 113.307 115.700 0.043 0.000 2.548 587 S HA 0.388 4.858 4.470 -0.000 0.000 0.215 587 S C 1.407 176.019 174.600 0.019 0.000 0.976 587 S CA 1.040 59.256 58.200 0.026 0.000 0.908 587 S CB -0.094 63.123 63.200 0.027 0.000 0.781 587 S HN 1.839 nan 8.310 nan 0.000 0.519 588 G N 1.299 110.121 108.800 0.038 0.000 2.143 588 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.249 588 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.249 588 G C 0.456 175.385 174.900 0.048 0.000 0.981 588 G CA 0.458 45.581 45.100 0.040 0.000 0.665 588 G HN 0.590 nan 8.290 nan 0.000 0.528 589 E N 0.021 120.248 120.200 0.044 0.000 2.318 589 E HA 0.403 4.753 4.350 -0.000 0.000 0.193 589 E C 1.735 178.354 176.600 0.031 0.000 0.998 589 E CA 0.325 56.745 56.400 0.032 0.000 0.859 589 E CB 0.214 29.928 29.700 0.023 0.000 0.812 589 E HN 0.782 nan 8.360 nan 0.000 0.492 590 A N 1.707 124.551 122.820 0.040 0.000 2.520 590 A HA 0.168 4.488 4.320 -0.000 0.000 0.245 590 A C 0.169 177.717 177.584 -0.060 0.000 1.072 590 A CA -0.087 51.930 52.037 -0.033 0.000 0.761 590 A CB 0.291 19.259 19.000 -0.052 0.000 1.004 590 A HN -0.002 nan 8.150 nan 0.000 0.499 591 V N 4.176 124.012 119.914 -0.130 0.000 2.407 591 V HA 0.315 4.435 4.120 -0.000 0.000 0.278 591 V C -0.501 175.474 176.094 -0.197 0.000 1.037 591 V CA -0.081 62.176 62.300 -0.072 0.000 0.900 591 V CB 0.094 31.892 31.823 -0.042 0.000 0.983 591 V HN 0.751 nan 8.190 nan 0.000 0.459 592 Y N 1.680 122.041 120.300 0.102 0.000 2.534 592 Y HA 0.339 4.889 4.550 -0.000 0.000 0.329 592 Y C 1.531 177.474 175.900 0.072 0.000 1.154 592 Y CA -0.332 57.836 58.100 0.113 0.000 1.192 592 Y CB 0.873 39.475 38.460 0.238 0.000 1.275 592 Y HN 0.665 nan 8.280 nan 0.000 0.491 593 C N 0.851 120.270 119.300 0.198 0.000 2.336 593 C HA -0.314 4.146 4.460 -0.000 0.000 0.272 593 C C 2.511 177.561 174.990 0.099 0.000 1.160 593 C CA 2.612 61.702 59.018 0.120 0.000 1.783 593 C CB -0.810 26.991 27.740 0.101 0.000 2.050 593 C HN 1.098 nan 8.230 nan 0.000 0.443 594 D N -0.444 120.039 120.400 0.138 0.000 2.350 594 D HA -0.066 4.574 4.640 -0.000 0.000 0.216 594 D C 1.482 177.848 176.300 0.110 0.000 0.968 594 D CA 0.920 54.994 54.000 0.124 0.000 0.894 594 D CB -0.335 40.556 40.800 0.152 0.000 0.909 594 D HN 0.566 nan 8.370 nan 0.000 0.520 595 D N -0.300 120.180 120.400 0.133 0.000 2.317 595 D HA -0.004 4.636 4.640 -0.000 0.000 0.211 595 D C 0.609 176.916 176.300 0.010 0.000 0.966 595 D CA 0.143 54.200 54.000 0.095 0.000 0.876 595 D CB 0.115 41.006 40.800 0.152 0.000 0.927 595 D HN 0.371 nan 8.370 nan 0.000 0.519 596 I N 2.528 123.076 120.570 -0.036 0.000 2.683 596 I HA 0.013 4.183 4.170 -0.000 0.000 0.286 596 I C -1.952 174.079 176.117 -0.143 0.000 1.175 596 I CA -1.495 59.719 61.300 -0.144 0.000 1.429 596 I CB 0.228 38.064 38.000 -0.274 0.000 1.371 596 I HN -0.314 nan 8.210 nan 0.000 0.569 597 P HA 0.029 nan 4.420 nan 0.000 0.267 597 P C -0.889 176.280 177.300 -0.218 0.000 1.200 597 P CA -0.199 62.801 63.100 -0.166 0.000 0.772 597 P CB 0.386 31.973 31.700 -0.189 0.000 0.855 598 R N 2.140 122.562 120.500 -0.131 0.000 2.500 598 R HA 0.373 4.713 4.340 -0.000 0.000 0.275 598 R C -0.550 175.671 176.300 -0.132 0.000 1.051 598 R CA -0.573 55.464 56.100 -0.104 0.000 1.088 598 R CB 0.203 30.506 30.300 0.006 0.000 1.063 598 R HN 0.316 nan 8.270 nan 0.000 0.511 599 Y N 0.960 121.228 120.300 -0.053 0.000 2.357 599 Y HA -0.061 4.489 4.550 -0.000 0.000 0.340 599 Y C 1.618 177.509 175.900 -0.016 0.000 1.260 599 Y CA 0.256 58.334 58.100 -0.037 0.000 1.425 599 Y CB 0.969 39.404 38.460 -0.041 0.000 1.326 599 Y HN 0.828 nan 8.280 nan 0.000 0.580 600 E N 0.020 120.319 120.200 0.165 0.000 2.209 600 E HA -0.245 4.105 4.350 -0.000 0.000 0.196 600 E C 0.619 177.284 176.600 0.109 0.000 0.993 600 E CA 1.856 58.317 56.400 0.102 0.000 0.819 600 E CB -0.371 29.372 29.700 0.073 0.000 0.745 600 E HN 0.640 nan 8.360 nan 0.000 0.477 601 N N 0.625 119.390 118.700 0.109 0.000 2.238 601 N HA -0.001 4.739 4.740 -0.000 0.000 0.222 601 N C -0.503 175.108 175.510 0.169 0.000 1.133 601 N CA -0.154 52.962 53.050 0.108 0.000 0.854 601 N CB 0.126 38.572 38.487 -0.068 0.000 1.041 601 N HN 0.297 nan 8.380 nan 0.000 0.510 602 E N 0.988 121.258 120.200 0.117 0.000 2.344 602 E HA 0.229 4.579 4.350 -0.000 0.000 0.270 602 E C -0.457 176.084 176.600 -0.099 0.000 1.021 602 E CA -0.298 56.109 56.400 0.011 0.000 0.887 602 E CB 0.704 30.380 29.700 -0.039 0.000 0.997 602 E HN 0.240 nan 8.360 nan 0.000 0.429 603 L N 3.401 124.531 121.223 -0.156 0.000 2.335 603 L HA 0.531 4.871 4.340 -0.000 0.000 0.268 603 L C -0.614 176.015 176.870 -0.402 0.000 1.016 603 L CA -1.038 53.722 54.840 -0.134 0.000 0.805 603 L CB 0.770 42.791 42.059 -0.063 0.000 1.311 603 L HN 0.512 nan 8.230 nan 0.000 0.456 604 F N 0.878 120.849 119.950 0.034 0.000 2.520 604 F HA 0.571 5.098 4.527 -0.000 0.000 0.322 604 F C -0.214 175.610 175.800 0.041 0.000 1.103 604 F CA -0.499 57.528 58.000 0.045 0.000 0.926 604 F CB 1.810 40.838 39.000 0.046 0.000 1.154 604 F HN 0.158 nan 8.300 nan 0.000 0.453 605 L N 3.405 124.748 121.223 0.200 0.000 2.334 605 L HA 0.790 5.130 4.340 -0.000 0.000 0.276 605 L C -0.953 176.018 176.870 0.169 0.000 1.014 605 L CA -0.815 54.115 54.840 0.150 0.000 0.815 605 L CB 1.451 43.578 42.059 0.113 0.000 1.268 605 L HN 0.700 nan 8.230 nan 0.000 0.428 606 R N 4.410 125.004 120.500 0.155 0.000 2.502 606 R HA 0.537 4.877 4.340 -0.000 0.000 0.300 606 R C -1.657 174.735 176.300 0.152 0.000 0.984 606 R CA -0.425 55.767 56.100 0.154 0.000 0.882 606 R CB 1.154 31.546 30.300 0.154 0.000 1.180 606 R HN 0.687 nan 8.270 nan 0.000 0.444 607 L N 3.805 125.119 121.223 0.151 0.000 2.456 607 L HA 0.316 4.656 4.340 -0.000 0.000 0.272 607 L C -0.253 176.709 176.870 0.153 0.000 1.189 607 L CA -0.576 54.357 54.840 0.154 0.000 0.846 607 L CB 1.099 43.257 42.059 0.164 0.000 1.111 607 L HN 0.328 nan 8.230 nan 0.000 0.475 608 V N 1.947 121.948 119.914 0.145 0.000 2.347 608 V HA 0.369 4.489 4.120 -0.000 0.000 0.280 608 V C 0.328 176.509 176.094 0.145 0.000 1.021 608 V CA -0.454 61.943 62.300 0.161 0.000 0.847 608 V CB 1.466 33.428 31.823 0.232 0.000 0.990 608 V HN 0.927 nan 8.190 nan 0.000 0.444 609 T N 1.212 115.860 114.554 0.156 0.000 2.932 609 T HA 0.555 4.905 4.350 -0.000 0.000 0.289 609 T C 0.100 174.913 174.700 0.189 0.000 1.039 609 T CA -0.639 61.563 62.100 0.170 0.000 1.024 609 T CB 1.775 70.746 68.868 0.172 0.000 1.090 609 T HN 0.536 nan 8.240 nan 0.000 0.496 610 S N 0.461 116.289 115.700 0.212 0.000 2.560 610 S HA 0.259 4.729 4.470 -0.000 0.000 0.284 610 S C 1.296 175.977 174.600 0.134 0.000 1.327 610 S CA 0.115 58.460 58.200 0.242 0.000 1.055 610 S CB -0.019 63.330 63.200 0.249 0.000 0.868 610 S HN 1.020 nan 8.310 nan 0.000 0.506 611 T N 2.382 116.953 114.554 0.028 0.000 3.092 611 T HA 0.380 4.730 4.350 -0.000 0.000 0.258 611 T C 0.289 174.871 174.700 -0.198 0.000 1.031 611 T CA -0.487 61.582 62.100 -0.052 0.000 0.925 611 T CB 0.043 68.902 68.868 -0.015 0.000 1.036 611 T HN 0.412 nan 8.240 nan 0.000 0.544 612 R N 0.430 120.742 120.500 -0.313 0.000 2.637 612 R HA 0.769 5.109 4.340 -0.000 0.000 0.291 612 R C 0.976 177.239 176.300 -0.060 0.000 0.963 612 R CA -0.269 55.663 56.100 -0.280 0.000 0.901 612 R CB 1.377 31.350 30.300 -0.545 0.000 1.160 612 R HN 0.154 nan 8.270 nan 0.000 0.457 613 A N 1.228 124.044 122.820 -0.007 0.000 1.968 613 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 613 A C 0.421 178.089 177.584 0.141 0.000 1.169 613 A CA 1.305 53.374 52.037 0.054 0.000 0.638 613 A CB -0.086 18.936 19.000 0.036 0.000 0.812 613 A HN 0.736 nan 8.150 nan 0.000 0.446 614 H N -2.197 116.877 119.070 0.007 0.000 3.188 614 H HA 0.513 5.069 4.556 -0.000 0.000 0.325 614 H C -1.141 174.213 175.328 0.044 0.000 1.033 614 H CA -0.209 55.863 56.048 0.040 0.000 1.443 614 H CB 0.901 30.677 29.762 0.023 0.000 1.968 614 H HN 0.480 nan 8.280 nan 0.000 0.449 615 A N 4.218 127.114 122.820 0.127 0.000 2.566 615 A HA 0.397 4.717 4.320 -0.000 0.000 0.290 615 A C -1.560 176.095 177.584 0.118 0.000 1.071 615 A CA -1.011 51.056 52.037 0.050 0.000 0.658 615 A CB 1.661 20.737 19.000 0.127 0.000 1.285 615 A HN 0.552 nan 8.150 nan 0.000 0.427 616 K N 0.631 121.078 120.400 0.079 0.000 2.174 616 K HA 0.556 4.876 4.320 -0.000 0.000 0.275 616 K C -0.876 175.770 176.600 0.077 0.000 1.015 616 K CA -0.158 56.169 56.287 0.067 0.000 0.933 616 K CB 1.240 33.754 32.500 0.024 0.000 1.025 616 K HN 0.515 nan 8.250 nan 0.000 0.463 617 I N 4.422 125.009 120.570 0.027 0.000 2.308 617 I HA 0.008 4.178 4.170 -0.000 0.000 0.293 617 I C 1.181 177.254 176.117 -0.073 0.000 1.078 617 I CA -0.283 60.973 61.300 -0.072 0.000 1.292 617 I CB 0.650 38.606 38.000 -0.073 0.000 1.423 617 I HN 0.460 nan 8.210 nan 0.000 0.493 618 K N 3.803 124.143 120.400 -0.101 0.000 2.044 618 K HA 0.077 4.397 4.320 -0.000 0.000 0.204 618 K C 0.682 177.234 176.600 -0.081 0.000 1.049 618 K CA 0.773 57.018 56.287 -0.069 0.000 0.945 618 K CB -0.018 32.448 32.500 -0.057 0.000 0.724 618 K HN 0.740 nan 8.250 nan 0.000 0.440 619 S N -0.731 114.894 115.700 -0.125 0.000 2.587 619 S HA 0.606 5.076 4.470 -0.000 0.000 0.269 619 S C -0.899 173.607 174.600 -0.158 0.000 1.154 619 S CA -1.051 57.082 58.200 -0.112 0.000 0.824 619 S CB 1.415 64.561 63.200 -0.089 0.000 1.118 619 S HN 0.041 nan 8.310 nan 0.000 0.462 620 I N 1.612 122.101 120.570 -0.135 0.000 2.468 620 I HA 0.409 4.579 4.170 -0.000 0.000 0.285 620 I C -1.511 174.487 176.117 -0.197 0.000 1.039 620 I CA -0.350 60.838 61.300 -0.187 0.000 1.074 620 I CB 1.882 39.788 38.000 -0.156 0.000 1.228 620 I HN 0.790 nan 8.210 nan 0.000 0.436 621 D N 5.785 126.050 120.400 -0.225 0.000 2.349 621 D HA 0.347 4.986 4.640 -0.000 0.000 0.232 621 D C 0.423 176.558 176.300 -0.276 0.000 1.071 621 D CA -0.536 53.341 54.000 -0.205 0.000 0.832 621 D CB 1.802 42.508 40.800 -0.156 0.000 1.086 621 D HN 0.332 nan 8.370 nan 0.000 0.504 622 V N 1.700 121.443 119.914 -0.285 0.000 3.376 622 V HA 0.144 4.264 4.120 -0.000 0.000 0.313 622 V C 1.597 177.518 176.094 -0.289 0.000 1.393 622 V CA 0.559 62.657 62.300 -0.337 0.000 1.125 622 V CB -0.480 31.135 31.823 -0.346 0.000 1.037 622 V HN 0.514 nan 8.190 nan 0.000 0.440 623 S N 0.696 116.266 115.700 -0.215 0.000 2.383 623 S HA -0.211 4.259 4.470 -0.000 0.000 0.229 623 S C 1.703 176.178 174.600 -0.209 0.000 1.030 623 S CA 1.677 59.764 58.200 -0.187 0.000 1.002 623 S CB -0.426 62.695 63.200 -0.131 0.000 0.829 623 S HN 0.657 nan 8.310 nan 0.000 0.467 624 E N 1.752 121.831 120.200 -0.202 0.000 2.112 624 E HA 0.176 4.526 4.350 -0.000 0.000 0.190 624 E C 2.476 178.938 176.600 -0.229 0.000 0.979 624 E CA 1.009 57.301 56.400 -0.180 0.000 0.814 624 E CB -0.726 28.890 29.700 -0.140 0.000 0.762 624 E HN 0.657 nan 8.360 nan 0.000 0.460 625 A N 1.487 124.128 122.820 -0.299 0.000 1.933 625 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 625 A C 2.083 179.228 177.584 -0.731 0.000 1.175 625 A CA 1.342 53.161 52.037 -0.363 0.000 0.628 625 A CB -0.541 18.279 19.000 -0.300 0.000 0.814 625 A HN 0.202 nan 8.150 nan 0.000 0.444 626 Q N -0.420 118.834 119.800 -0.909 0.000 2.368 626 Q HA -0.153 4.187 4.340 -0.000 0.000 0.210 626 Q C 1.583 177.322 176.000 -0.435 0.000 0.982 626 Q CA 1.446 56.648 55.803 -1.000 0.000 0.884 626 Q CB -0.146 28.265 28.738 -0.544 0.000 0.933 626 Q HN 0.656 nan 8.270 nan 0.000 0.460 627 K N -0.061 120.164 120.400 -0.292 0.000 2.361 627 K HA 0.077 4.397 4.320 -0.000 0.000 0.196 627 K C 0.174 176.706 176.600 -0.112 0.000 1.039 627 K CA -0.008 56.187 56.287 -0.153 0.000 1.001 627 K CB 0.552 32.980 32.500 -0.120 0.000 0.795 627 K HN -0.046 nan 8.250 nan 0.000 0.495 628 V N 4.063 123.905 119.914 -0.121 0.000 2.585 628 V HA 0.019 4.139 4.120 -0.000 0.000 0.296 628 V C -2.194 173.837 176.094 -0.106 0.000 1.035 628 V CA -1.421 60.830 62.300 -0.082 0.000 1.084 628 V CB 0.231 32.046 31.823 -0.014 0.000 0.953 628 V HN 0.063 nan 8.190 nan 0.000 0.483 629 P HA 0.193 nan 4.420 nan 0.000 0.266 629 P C 0.960 178.006 177.300 -0.423 0.000 1.195 629 P CA 1.326 64.241 63.100 -0.309 0.000 0.768 629 P CB 0.516 31.997 31.700 -0.364 0.000 0.838 630 G N 1.872 110.616 108.800 -0.093 0.000 2.184 630 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.264 630 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.264 630 G C 0.133 175.104 174.900 0.119 0.000 0.975 630 G CA -0.310 44.833 45.100 0.072 0.000 0.642 630 G HN 0.559 nan 8.290 nan 0.000 0.536 631 F N 0.819 120.756 119.950 -0.022 0.000 2.572 631 F HA 0.424 4.951 4.527 0.000 0.000 0.370 631 F C 1.287 177.102 175.800 0.025 0.000 1.103 631 F CA 0.885 58.895 58.000 0.017 0.000 1.286 631 F CB 1.038 40.038 39.000 -0.001 0.000 1.105 631 F HN -0.080 nan 8.300 nan 0.000 0.583 632 V N 4.043 123.507 119.914 -0.749 0.000 2.854 632 V HA 0.117 4.237 4.120 -0.000 0.000 0.236 632 V C 0.249 175.919 176.094 -0.707 0.000 1.157 632 V CA 0.999 62.995 62.300 -0.507 0.000 1.187 632 V CB 0.431 32.056 31.823 -0.329 0.000 0.949 632 V HN 1.048 nan 8.190 nan 0.000 0.488 633 C N -1.708 116.948 119.300 -1.073 0.000 3.253 633 C HA 0.676 5.136 4.460 -0.000 0.000 0.342 633 C C -1.468 173.368 174.990 -0.257 0.000 1.306 633 C CA -1.295 57.400 59.018 -0.538 0.000 1.207 633 C CB 0.836 28.464 27.740 -0.186 0.000 1.479 633 C HN 0.312 nan 8.230 nan 0.000 0.469 634 F N 1.978 121.959 119.950 0.052 0.000 2.444 634 F HA 0.838 5.365 4.527 0.000 0.000 0.342 634 F C -0.906 174.901 175.800 0.011 0.000 1.121 634 F CA -1.331 56.726 58.000 0.096 0.000 0.997 634 F CB 0.907 40.026 39.000 0.199 0.000 1.130 634 F HN 0.726 nan 8.300 nan 0.000 0.454 635 L N 5.919 126.658 121.223 -0.806 0.000 2.325 635 L HA 0.717 5.057 4.340 -0.000 0.000 0.278 635 L C -0.168 176.030 176.870 -1.120 0.000 1.023 635 L CA -0.543 53.920 54.840 -0.628 0.000 0.811 635 L CB 1.778 43.723 42.059 -0.190 0.000 1.249 635 L HN 0.819 nan 8.230 nan 0.000 0.431 636 S N 0.838 116.183 115.700 -0.592 0.000 2.794 636 S HA 0.623 5.093 4.470 -0.000 0.000 0.299 636 S C 0.664 175.330 174.600 0.110 0.000 1.179 636 S CA -0.122 57.786 58.200 -0.486 0.000 0.838 636 S CB 1.312 64.338 63.200 -0.289 0.000 1.206 636 S HN 0.601 nan 8.310 nan 0.000 0.523 637 A N 0.959 123.884 122.820 0.175 0.000 1.927 637 A HA -0.147 4.173 4.320 -0.000 0.000 0.220 637 A C 1.525 179.182 177.584 0.121 0.000 1.185 637 A CA 2.238 54.403 52.037 0.213 0.000 0.639 637 A CB -1.398 17.684 19.000 0.138 0.000 0.820 637 A HN 0.827 nan 8.150 nan 0.000 0.451 638 D N 0.056 120.504 120.400 0.080 0.000 2.351 638 D HA -0.083 4.557 4.640 -0.000 0.000 0.216 638 D C 0.826 177.166 176.300 0.067 0.000 0.968 638 D CA 0.894 54.931 54.000 0.061 0.000 0.899 638 D CB -0.265 40.565 40.800 0.051 0.000 0.907 638 D HN 0.489 nan 8.370 nan 0.000 0.514 639 D N 0.178 120.629 120.400 0.086 0.000 2.323 639 D HA 0.027 4.667 4.640 -0.000 0.000 0.209 639 D C 0.973 177.335 176.300 0.105 0.000 0.973 639 D CA 0.005 54.065 54.000 0.101 0.000 0.874 639 D CB 0.853 41.715 40.800 0.103 0.000 0.930 639 D HN 0.269 nan 8.370 nan 0.000 0.521 640 I N 3.753 124.361 120.570 0.064 0.000 2.662 640 I HA -0.054 4.116 4.170 -0.000 0.000 0.285 640 I C -0.841 175.247 176.117 -0.047 0.000 1.161 640 I CA -0.823 60.463 61.300 -0.023 0.000 1.415 640 I CB 0.911 38.876 38.000 -0.058 0.000 1.385 640 I HN -0.120 nan 8.210 nan 0.000 0.552 641 P HA 0.012 nan 4.420 nan 0.000 0.224 641 P C 0.901 178.125 177.300 -0.127 0.000 1.157 641 P CA 0.733 63.754 63.100 -0.132 0.000 0.799 641 P CB 0.529 32.041 31.700 -0.313 0.000 0.809 642 G N 0.007 108.711 108.800 -0.160 0.000 2.992 642 G HA2 0.218 4.178 3.960 -0.000 0.000 0.201 642 G HA3 0.218 4.178 3.960 -0.000 0.000 0.201 642 G C -0.357 174.487 174.900 -0.093 0.000 2.057 642 G CA 0.151 45.178 45.100 -0.122 0.000 0.800 642 G HN 0.326 nan 8.290 nan 0.000 0.700 643 S N -0.545 115.093 115.700 -0.103 0.000 2.503 643 S HA 0.361 4.831 4.470 -0.000 0.000 0.301 643 S C 0.155 174.691 174.600 -0.107 0.000 1.087 643 S CA -0.601 57.544 58.200 -0.091 0.000 1.042 643 S CB 1.660 64.805 63.200 -0.091 0.000 1.043 643 S HN 0.360 nan 8.310 nan 0.000 0.489 644 N N 2.746 121.398 118.700 -0.080 0.000 2.270 644 N HA 0.092 4.832 4.740 -0.000 0.000 0.198 644 N C -0.139 175.323 175.510 -0.080 0.000 1.117 644 N CA -0.009 52.993 53.050 -0.079 0.000 0.845 644 N CB 0.267 38.738 38.487 -0.027 0.000 0.980 644 N HN 0.766 nan 8.380 nan 0.000 0.486 645 E N 0.061 120.204 120.200 -0.095 0.000 2.115 645 E HA 0.228 4.578 4.350 -0.000 0.000 0.282 645 E C -0.768 175.718 176.600 -0.190 0.000 0.987 645 E CA -0.205 56.135 56.400 -0.101 0.000 0.797 645 E CB 0.773 30.428 29.700 -0.076 0.000 1.086 645 E HN 0.092 nan 8.360 nan 0.000 0.397 646 T N 2.209 116.629 114.554 -0.223 0.000 2.626 646 T HA 0.775 5.125 4.350 -0.000 0.000 0.279 646 T C -0.590 173.885 174.700 -0.374 0.000 0.983 646 T CA 0.373 62.210 62.100 -0.437 0.000 1.059 646 T CB 1.191 69.798 68.868 -0.434 0.000 1.396 646 T HN 0.881 nan 8.240 nan 0.000 0.519 647 G N 0.493 108.964 108.800 -0.548 0.000 2.692 647 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.686 647 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.686 647 G C 0.227 175.162 174.900 0.060 0.000 1.243 647 G CA -0.134 44.912 45.100 -0.090 0.000 0.782 647 G HN 0.996 nan 8.290 nan 0.000 0.625 648 L N 0.431 121.864 121.223 0.350 0.000 2.043 648 L HA 0.148 4.488 4.340 -0.000 0.000 0.212 648 L C 2.161 179.033 176.870 0.004 0.000 1.075 648 L CA 2.471 57.491 54.840 0.300 0.000 0.752 648 L CB -0.471 41.789 42.059 0.336 0.000 0.891 648 L HN 0.582 nan 8.230 nan 0.000 0.432 649 F N -0.555 119.422 119.950 0.045 0.000 2.639 649 F HA 0.245 4.772 4.527 -0.000 0.000 0.300 649 F C 1.048 176.830 175.800 -0.029 0.000 1.109 649 F CA -0.374 57.626 58.000 0.001 0.000 1.335 649 F CB -0.941 38.041 39.000 -0.029 0.000 1.014 649 F HN 0.100 nan 8.300 nan 0.000 0.537 650 N N 1.110 119.838 118.700 0.046 0.000 2.721 650 N HA -0.226 4.514 4.740 -0.000 0.000 0.249 650 N C -0.360 175.160 175.510 0.016 0.000 1.072 650 N CA 0.971 54.007 53.050 -0.024 0.000 0.710 650 N CB -0.686 37.779 38.487 -0.037 0.000 0.993 650 N HN 0.434 nan 8.380 nan 0.000 0.547 651 D N -0.993 119.434 120.400 0.044 0.000 2.538 651 D HA 0.132 4.772 4.640 -0.000 0.000 0.231 651 D C -0.043 176.277 176.300 0.032 0.000 1.229 651 D CA 0.095 54.122 54.000 0.045 0.000 0.828 651 D CB 0.202 41.031 40.800 0.047 0.000 1.035 651 D HN 0.415 nan 8.370 nan 0.000 0.495 652 E N -0.207 119.999 120.200 0.010 0.000 2.359 652 E HA 0.501 4.851 4.350 -0.000 0.000 0.266 652 E C -0.519 176.094 176.600 0.021 0.000 0.920 652 E CA -0.967 55.446 56.400 0.021 0.000 0.788 652 E CB 1.851 31.555 29.700 0.007 0.000 1.279 652 E HN 0.132 nan 8.360 nan 0.000 0.438 653 T N -2.199 112.408 114.554 0.088 0.000 2.925 653 T HA 0.292 4.642 4.350 -0.000 0.000 0.285 653 T C 0.864 175.593 174.700 0.048 0.000 1.021 653 T CA -0.793 61.354 62.100 0.078 0.000 1.042 653 T CB 1.394 70.354 68.868 0.154 0.000 1.037 653 T HN 0.157 nan 8.240 nan 0.000 0.481 654 V N 0.441 120.325 119.914 -0.049 0.000 2.407 654 V HA 0.215 4.335 4.120 -0.000 0.000 0.245 654 V C 0.281 176.306 176.094 -0.115 0.000 1.041 654 V CA 0.999 63.185 62.300 -0.190 0.000 1.040 654 V CB -0.582 31.012 31.823 -0.382 0.000 0.671 654 V HN 0.844 nan 8.190 nan 0.000 0.455 655 F N -0.806 119.153 119.950 0.014 0.000 2.547 655 F HA 0.677 5.204 4.527 0.000 0.000 0.316 655 F C 0.353 176.139 175.800 -0.022 0.000 1.121 655 F CA -1.073 56.924 58.000 -0.005 0.000 0.911 655 F CB 1.313 40.291 39.000 -0.037 0.000 1.179 655 F HN 0.017 nan 8.300 nan 0.000 0.443 656 A N 3.330 126.206 122.820 0.094 0.000 2.565 656 A HA 0.216 4.536 4.320 -0.000 0.000 0.237 656 A C -0.395 177.189 177.584 0.001 0.000 1.053 656 A CA 0.283 52.254 52.037 -0.110 0.000 0.755 656 A CB 0.267 19.001 19.000 -0.443 0.000 0.980 656 A HN 0.596 nan 8.150 nan 0.000 0.506 657 K N 2.050 122.466 120.400 0.027 0.000 2.545 657 K HA 0.439 4.759 4.320 -0.000 0.000 0.252 657 K C -0.094 176.532 176.600 0.044 0.000 0.948 657 K CA 0.039 56.352 56.287 0.043 0.000 0.827 657 K CB 0.723 33.257 32.500 0.057 0.000 1.128 657 K HN 0.722 nan 8.250 nan 0.000 0.429 658 D N 0.542 120.961 120.400 0.032 0.000 2.884 658 D HA -0.210 4.430 4.640 -0.000 0.000 0.186 658 D C -0.198 176.133 176.300 0.053 0.000 1.520 658 D CA 2.411 56.432 54.000 0.036 0.000 1.997 658 D CB -0.857 39.970 40.800 0.044 0.000 1.362 658 D HN 0.710 nan 8.370 nan 0.000 0.474 659 T N -2.048 112.554 114.554 0.080 0.000 2.916 659 T HA 0.604 4.954 4.350 -0.000 0.000 0.305 659 T C -0.339 174.459 174.700 0.164 0.000 1.119 659 T CA -0.438 61.742 62.100 0.133 0.000 1.008 659 T CB 2.810 71.782 68.868 0.174 0.000 1.129 659 T HN 0.348 nan 8.240 nan 0.000 0.480 660 V N 0.380 120.438 119.914 0.239 0.000 2.483 660 V HA 0.808 4.928 4.120 -0.000 0.000 0.295 660 V C 0.767 177.141 176.094 0.466 0.000 1.035 660 V CA -0.169 62.330 62.300 0.333 0.000 0.896 660 V CB 1.085 33.080 31.823 0.286 0.000 0.986 660 V HN 1.217 nan 8.190 nan 0.000 0.447 661 T N -0.999 113.893 114.554 0.563 0.000 3.174 661 T HA 0.428 4.778 4.350 -0.000 0.000 0.269 661 T C 0.195 174.917 174.700 0.035 0.000 1.017 661 T CA 0.298 62.489 62.100 0.151 0.000 0.899 661 T CB -0.756 68.106 68.868 -0.010 0.000 1.077 661 T HN 1.812 nan 8.240 nan 0.000 0.552 662 C N -0.929 118.448 119.300 0.128 0.000 3.249 662 C HA 0.626 5.086 4.460 -0.000 0.000 0.358 662 C C -0.619 174.447 174.990 0.126 0.000 1.187 662 C CA -1.266 57.795 59.018 0.071 0.000 1.170 662 C CB 0.623 28.364 27.740 0.002 0.000 1.478 662 C HN 0.167 nan 8.230 nan 0.000 0.508 663 V N 3.455 123.424 119.914 0.092 0.000 2.529 663 V HA 0.530 4.650 4.120 -0.000 0.000 0.292 663 V C 1.623 177.793 176.094 0.127 0.000 1.028 663 V CA 2.364 64.721 62.300 0.096 0.000 1.074 663 V CB 0.436 32.303 31.823 0.074 0.000 0.958 663 V HN 2.399 nan 8.190 nan 0.000 0.481 664 G N 3.210 112.103 108.800 0.154 0.000 2.201 664 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.212 664 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.212 664 G C 0.235 175.268 174.900 0.221 0.000 0.994 664 G CA 0.145 45.344 45.100 0.165 0.000 0.644 664 G HN 0.914 nan 8.290 nan 0.000 0.508 665 H N 0.959 120.100 119.070 0.118 0.000 3.107 665 H HA 0.351 4.907 4.556 -0.000 0.000 0.301 665 H C 0.866 176.285 175.328 0.152 0.000 0.981 665 H CA -0.478 55.648 56.048 0.129 0.000 1.443 665 H CB 0.149 29.990 29.762 0.131 0.000 1.479 665 H HN 0.268 nan 8.280 nan 0.000 0.564 666 I N 7.638 128.445 120.570 0.395 0.000 2.581 666 I HA -0.154 4.016 4.170 -0.000 0.000 0.285 666 I C 1.003 177.218 176.117 0.163 0.000 1.129 666 I CA 0.382 61.845 61.300 0.272 0.000 1.397 666 I CB 0.498 38.700 38.000 0.337 0.000 1.399 666 I HN 0.717 nan 8.210 nan 0.000 0.537 667 I N 4.865 125.472 120.570 0.061 0.000 2.731 667 I HA 0.213 4.383 4.170 -0.000 0.000 0.260 667 I C 1.295 177.260 176.117 -0.253 0.000 1.138 667 I CA 0.403 61.684 61.300 -0.032 0.000 1.461 667 I CB 0.088 38.104 38.000 0.026 0.000 1.128 667 I HN 0.760 nan 8.210 nan 0.000 0.438 668 G N 0.088 108.650 108.800 -0.397 0.000 2.500 668 G HA2 0.732 4.692 3.960 -0.000 0.000 0.299 668 G HA3 0.732 4.692 3.960 -0.000 0.000 0.299 668 G C -2.041 172.489 174.900 -0.617 0.000 1.242 668 G CA 0.159 44.604 45.100 -1.092 0.000 0.859 668 G HN 0.230 nan 8.290 nan 0.000 0.481 669 A N -1.497 120.971 122.820 -0.587 0.000 2.594 669 A HA 0.732 5.052 4.320 -0.000 0.000 0.296 669 A C -1.535 176.046 177.584 -0.004 0.000 1.061 669 A CA -0.373 51.598 52.037 -0.111 0.000 0.689 669 A CB 1.586 20.600 19.000 0.022 0.000 1.280 669 A HN 1.548 nan 8.150 nan 0.000 0.406 670 V N 1.337 121.346 119.914 0.159 0.000 2.483 670 V HA 0.596 4.716 4.120 -0.000 0.000 0.295 670 V C -0.329 175.805 176.094 0.068 0.000 1.035 670 V CA -0.475 61.936 62.300 0.185 0.000 0.896 670 V CB 1.659 33.665 31.823 0.305 0.000 0.986 670 V HN 0.734 nan 8.190 nan 0.000 0.447 671 V N 3.793 123.667 119.914 -0.066 0.000 2.495 671 V HA 0.943 5.063 4.120 -0.000 0.000 0.298 671 V C 0.199 176.219 176.094 -0.123 0.000 1.031 671 V CA -0.187 62.074 62.300 -0.066 0.000 0.871 671 V CB 1.406 33.160 31.823 -0.115 0.000 0.988 671 V HN 1.085 nan 8.190 nan 0.000 0.432 672 A N 2.758 125.598 122.820 0.033 0.000 2.583 672 A HA 0.684 5.004 4.320 -0.000 0.000 0.289 672 A C 0.468 178.169 177.584 0.194 0.000 1.151 672 A CA -0.066 52.019 52.037 0.079 0.000 0.695 672 A CB 1.410 20.512 19.000 0.171 0.000 1.290 672 A HN 0.760 nan 8.150 nan 0.000 0.419 673 D N -0.266 120.260 120.400 0.210 0.000 2.312 673 D HA 0.013 4.653 4.640 -0.000 0.000 0.211 673 D C 0.702 177.172 176.300 0.283 0.000 0.964 673 D CA 1.837 55.988 54.000 0.252 0.000 0.877 673 D CB -0.282 40.643 40.800 0.208 0.000 0.924 673 D HN 0.786 nan 8.370 nan 0.000 0.515 674 T N -5.072 109.552 114.554 0.117 0.000 2.883 674 T HA 0.406 4.756 4.350 -0.000 0.000 0.301 674 T C -2.404 172.063 174.700 -0.387 0.000 1.158 674 T CA -1.498 60.401 62.100 -0.335 0.000 1.007 674 T CB 2.784 71.395 68.868 -0.429 0.000 1.186 674 T HN -0.332 nan 8.240 nan 0.000 0.499 675 P HA -0.034 nan 4.420 nan 0.000 0.217 675 P C 0.907 178.120 177.300 -0.144 0.000 1.151 675 P CA 1.180 64.079 63.100 -0.336 0.000 0.828 675 P CB 0.246 31.712 31.700 -0.390 0.000 0.788 676 E N -0.444 119.634 120.200 -0.203 0.000 2.051 676 E HA -0.180 4.170 4.350 -0.000 0.000 0.192 676 E C 2.197 178.818 176.600 0.036 0.000 0.991 676 E CA 1.310 57.647 56.400 -0.106 0.000 0.799 676 E CB -1.232 28.369 29.700 -0.164 0.000 0.748 676 E HN 0.542 nan 8.360 nan 0.000 0.449 677 H N -0.585 118.479 119.070 -0.010 0.000 2.353 677 H HA -0.004 4.552 4.556 -0.000 0.000 0.300 677 H C 1.955 177.338 175.328 0.091 0.000 1.090 677 H CA 0.629 56.705 56.048 0.047 0.000 1.327 677 H CB 0.073 29.869 29.762 0.057 0.000 1.383 677 H HN 0.222 nan 8.280 nan 0.000 0.508 678 A N 0.943 123.890 122.820 0.211 0.000 1.898 678 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 678 A C 2.166 179.852 177.584 0.171 0.000 1.181 678 A CA 1.636 53.788 52.037 0.192 0.000 0.620 678 A CB -0.365 18.741 19.000 0.178 0.000 0.819 678 A HN 0.483 nan 8.150 nan 0.000 0.442 679 E N -0.295 119.979 120.200 0.124 0.000 2.051 679 E HA -0.214 4.136 4.350 -0.000 0.000 0.192 679 E C 2.310 178.984 176.600 0.123 0.000 0.991 679 E CA 1.182 57.642 56.400 0.100 0.000 0.799 679 E CB -0.081 29.640 29.700 0.036 0.000 0.748 679 E HN 0.594 nan 8.360 nan 0.000 0.449 680 R N 0.032 120.605 120.500 0.121 0.000 2.081 680 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 680 R C 2.409 178.802 176.300 0.155 0.000 1.131 680 R CA 1.154 57.333 56.100 0.131 0.000 0.960 680 R CB -0.313 30.058 30.300 0.118 0.000 0.856 680 R HN 0.150 nan 8.270 nan 0.000 0.436 681 A N 1.321 124.240 122.820 0.166 0.000 1.877 681 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 681 A C 2.391 180.062 177.584 0.145 0.000 1.186 681 A CA 1.663 53.797 52.037 0.161 0.000 0.620 681 A CB -0.712 18.479 19.000 0.317 0.000 0.822 681 A HN 0.394 nan 8.150 nan 0.000 0.443 682 A N -1.001 121.930 122.820 0.184 0.000 1.933 682 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 682 A C 2.004 179.665 177.584 0.129 0.000 1.175 682 A CA 2.140 54.276 52.037 0.165 0.000 0.628 682 A CB -0.894 18.216 19.000 0.183 0.000 0.814 682 A HN 0.759 nan 8.150 nan 0.000 0.444 683 H N 0.334 119.436 119.070 0.054 0.000 2.422 683 H HA -0.077 4.479 4.556 -0.000 0.000 0.298 683 H C 1.531 176.866 175.328 0.011 0.000 1.098 683 H CA 2.044 58.114 56.048 0.036 0.000 1.315 683 H CB -0.113 29.667 29.762 0.031 0.000 1.382 683 H HN 0.346 nan 8.280 nan 0.000 0.523 684 V N -1.313 118.550 119.914 -0.086 0.000 3.514 684 V HA 0.276 4.396 4.120 -0.000 0.000 0.301 684 V C 0.542 176.536 176.094 -0.167 0.000 1.346 684 V CA -0.256 61.944 62.300 -0.167 0.000 1.156 684 V CB -0.384 31.382 31.823 -0.096 0.000 1.029 684 V HN 0.033 nan 8.190 nan 0.000 0.428 685 V N 2.496 122.316 119.914 -0.156 0.000 2.479 685 V HA 0.290 4.410 4.120 -0.000 0.000 0.281 685 V C 0.426 176.397 176.094 -0.204 0.000 1.031 685 V CA 0.044 62.206 62.300 -0.231 0.000 1.038 685 V CB 0.968 32.625 31.823 -0.276 0.000 0.981 685 V HN 0.569 nan 8.190 nan 0.000 0.478 686 K N 5.582 125.853 120.400 -0.214 0.000 2.253 686 K HA 0.480 4.800 4.320 -0.000 0.000 0.277 686 K C -1.022 175.462 176.600 -0.193 0.000 1.053 686 K CA -0.178 56.008 56.287 -0.168 0.000 0.892 686 K CB 1.141 33.555 32.500 -0.142 0.000 1.102 686 K HN 0.411 nan 8.250 nan 0.000 0.469 687 V N 4.086 123.890 119.914 -0.185 0.000 2.483 687 V HA 0.420 4.540 4.120 -0.000 0.000 0.295 687 V C -0.264 175.598 176.094 -0.387 0.000 1.035 687 V CA -0.791 61.305 62.300 -0.339 0.000 0.896 687 V CB 1.887 33.433 31.823 -0.463 0.000 0.986 687 V HN 0.837 nan 8.190 nan 0.000 0.447 688 T N 4.901 119.217 114.554 -0.397 0.000 2.771 688 T HA 0.646 4.996 4.350 -0.000 0.000 0.281 688 T C -0.905 173.607 174.700 -0.314 0.000 0.982 688 T CA -0.071 61.887 62.100 -0.236 0.000 0.978 688 T CB 0.408 69.200 68.868 -0.126 0.000 0.930 688 T HN 0.444 nan 8.240 nan 0.000 0.447 689 Y N 0.993 121.285 120.300 -0.012 0.000 2.587 689 Y HA 0.587 5.137 4.550 -0.000 0.000 0.337 689 Y C 0.646 176.539 175.900 -0.012 0.000 1.065 689 Y CA -1.370 56.725 58.100 -0.007 0.000 1.126 689 Y CB 1.412 39.873 38.460 0.003 0.000 1.279 689 Y HN 0.518 nan 8.280 nan 0.000 0.489 690 E N 1.642 121.945 120.200 0.170 0.000 2.580 690 E HA 0.176 4.526 4.350 -0.000 0.000 0.248 690 E C -1.524 175.102 176.600 0.043 0.000 1.018 690 E CA -0.645 55.798 56.400 0.073 0.000 0.775 690 E CB 0.494 30.214 29.700 0.033 0.000 1.378 690 E HN 0.611 nan 8.360 nan 0.000 0.401 691 D N 2.851 123.267 120.400 0.026 0.000 2.515 691 D HA 0.053 4.693 4.640 -0.000 0.000 0.232 691 D C 0.023 176.274 176.300 -0.082 0.000 1.157 691 D CA 0.859 54.845 54.000 -0.024 0.000 0.871 691 D CB 0.822 41.609 40.800 -0.022 0.000 1.200 691 D HN 0.414 nan 8.370 nan 0.000 0.466 692 L N 1.802 122.923 121.223 -0.169 0.000 2.354 692 L HA 0.351 4.691 4.340 -0.000 0.000 0.264 692 L C -2.321 174.453 176.870 -0.160 0.000 1.008 692 L CA -2.110 52.561 54.840 -0.281 0.000 0.819 692 L CB 2.069 43.701 42.059 -0.713 0.000 1.339 692 L HN 0.075 nan 8.230 nan 0.000 0.420 693 P HA 0.077 nan 4.420 nan 0.000 0.261 693 P C -1.069 176.335 177.300 0.173 0.000 1.183 693 P CA 0.136 63.256 63.100 0.032 0.000 0.761 693 P CB 0.612 32.326 31.700 0.023 0.000 0.785 694 A N 4.032 126.926 122.820 0.123 0.000 2.320 694 A HA 0.717 5.037 4.320 -0.000 0.000 0.334 694 A C -0.494 177.102 177.584 0.021 0.000 1.147 694 A CA -0.722 51.389 52.037 0.124 0.000 0.820 694 A CB 0.747 19.802 19.000 0.092 0.000 1.218 694 A HN 0.489 nan 8.150 nan 0.000 0.482 695 I N 3.238 123.787 120.570 -0.034 0.000 2.420 695 I HA 0.220 4.390 4.170 -0.000 0.000 0.282 695 I C -0.077 175.985 176.117 -0.092 0.000 1.019 695 I CA -0.328 60.925 61.300 -0.078 0.000 1.130 695 I CB 1.309 39.234 38.000 -0.124 0.000 1.262 695 I HN 0.575 nan 8.210 nan 0.000 0.454 696 I N 2.682 123.203 120.570 -0.080 0.000 2.899 696 I HA 0.036 4.206 4.170 -0.000 0.000 0.257 696 I C 1.535 177.587 176.117 -0.109 0.000 1.115 696 I CA 0.996 62.239 61.300 -0.096 0.000 1.451 696 I CB -0.555 37.398 38.000 -0.079 0.000 1.251 696 I HN 0.501 nan 8.210 nan 0.000 0.456 697 T N -0.973 113.529 114.554 -0.088 0.000 2.874 697 T HA 0.468 4.818 4.350 -0.000 0.000 0.281 697 T C 1.437 176.100 174.700 -0.060 0.000 0.994 697 T CA -0.462 61.594 62.100 -0.073 0.000 1.015 697 T CB 1.802 70.630 68.868 -0.066 0.000 1.028 697 T HN 0.051 nan 8.240 nan 0.000 0.523 698 I N 0.457 121.014 120.570 -0.020 0.000 2.226 698 I HA -0.144 4.026 4.170 -0.000 0.000 0.245 698 I C 2.613 178.698 176.117 -0.053 0.000 1.100 698 I CA 1.434 62.735 61.300 0.002 0.000 1.374 698 I CB -0.401 37.644 38.000 0.074 0.000 1.057 698 I HN 0.718 nan 8.210 nan 0.000 0.413 699 E N 0.887 121.047 120.200 -0.067 0.000 2.077 699 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 699 E C 1.771 178.318 176.600 -0.089 0.000 0.989 699 E CA 1.265 57.613 56.400 -0.087 0.000 0.800 699 E CB -0.188 29.468 29.700 -0.074 0.000 0.746 699 E HN 0.379 nan 8.360 nan 0.000 0.452 700 D N 0.036 120.385 120.400 -0.086 0.000 2.104 700 D HA -0.162 4.478 4.640 -0.000 0.000 0.194 700 D C 1.842 178.058 176.300 -0.141 0.000 0.994 700 D CA 1.571 55.514 54.000 -0.096 0.000 0.830 700 D CB -0.417 40.331 40.800 -0.087 0.000 0.959 700 D HN 0.216 nan 8.370 nan 0.000 0.452 701 A N 0.652 123.371 122.820 -0.169 0.000 1.877 701 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 701 A C 2.420 179.759 177.584 -0.408 0.000 1.186 701 A CA 1.062 52.921 52.037 -0.297 0.000 0.620 701 A CB -0.774 18.073 19.000 -0.254 0.000 0.822 701 A HN 0.207 nan 8.150 nan 0.000 0.443 702 I N -0.513 119.941 120.570 -0.194 0.000 2.179 702 I HA -0.275 3.895 4.170 -0.000 0.000 0.242 702 I C 2.552 178.631 176.117 -0.063 0.000 1.088 702 I CA 1.922 63.204 61.300 -0.030 0.000 1.357 702 I CB -0.269 37.721 38.000 -0.016 0.000 1.051 702 I HN 0.376 nan 8.210 nan 0.000 0.409 703 K N 0.859 121.206 120.400 -0.087 0.000 2.147 703 K HA -0.160 4.160 4.320 -0.000 0.000 0.205 703 K C 1.300 177.851 176.600 -0.082 0.000 1.049 703 K CA 1.397 57.645 56.287 -0.065 0.000 0.936 703 K CB 0.028 32.490 32.500 -0.063 0.000 0.722 703 K HN 0.349 nan 8.250 nan 0.000 0.446 704 N N 1.032 119.645 118.700 -0.145 0.000 2.230 704 N HA -0.059 4.681 4.740 -0.000 0.000 0.202 704 N C -0.478 174.902 175.510 -0.216 0.000 1.119 704 N CA 0.129 53.088 53.050 -0.151 0.000 0.851 704 N CB 0.304 38.702 38.487 -0.149 0.000 0.990 704 N HN 0.222 nan 8.380 nan 0.000 0.497 705 N N 0.881 119.406 118.700 -0.291 0.000 2.725 705 N HA -0.203 4.537 4.740 -0.000 0.000 0.251 705 N C -1.081 174.064 175.510 -0.608 0.000 1.031 705 N CA 0.346 53.181 53.050 -0.359 0.000 0.720 705 N CB -1.181 37.295 38.487 -0.018 0.000 0.930 705 N HN 0.008 nan 8.380 nan 0.000 0.543 706 S N 1.157 116.308 115.700 -0.916 0.000 2.543 706 S HA 0.617 5.087 4.470 -0.000 0.000 0.299 706 S C -0.717 173.374 174.600 -0.848 0.000 1.125 706 S CA -0.540 57.261 58.200 -0.665 0.000 1.098 706 S CB -0.268 62.660 63.200 -0.453 0.000 1.063 706 S HN 0.316 nan 8.310 nan 0.000 0.493 707 F N 2.297 122.137 119.950 -0.182 0.000 2.640 707 F HA 0.492 5.019 4.527 0.000 0.000 0.324 707 F C -0.698 174.962 175.800 -0.233 0.000 1.077 707 F CA -1.302 56.586 58.000 -0.188 0.000 0.965 707 F CB 1.302 40.272 39.000 -0.049 0.000 1.351 707 F HN 0.282 nan 8.300 nan 0.000 0.487 708 Y N 0.948 121.362 120.300 0.191 0.000 2.353 708 Y HA 0.511 5.061 4.550 -0.000 0.000 0.340 708 Y C 0.750 176.682 175.900 0.053 0.000 0.972 708 Y CA -0.218 57.920 58.100 0.065 0.000 1.157 708 Y CB 1.145 39.602 38.460 -0.004 0.000 1.157 708 Y HN 0.890 nan 8.280 nan 0.000 0.495 709 G N 2.013 110.923 108.800 0.184 0.000 2.697 709 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.240 709 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.240 709 G C -0.278 174.665 174.900 0.072 0.000 1.346 709 G CA -0.354 44.803 45.100 0.095 0.000 0.887 709 G HN 0.910 nan 8.290 nan 0.000 0.569 710 S N -0.989 114.729 115.700 0.031 0.000 2.730 710 S HA 0.647 5.117 4.470 -0.000 0.000 0.284 710 S C 0.260 174.825 174.600 -0.059 0.000 1.153 710 S CA 0.328 58.521 58.200 -0.013 0.000 0.995 710 S CB 1.873 65.070 63.200 -0.006 0.000 1.058 710 S HN 1.111 nan 8.310 nan 0.000 0.552 711 E N -0.060 120.074 120.200 -0.110 0.000 2.452 711 E HA 0.136 4.486 4.350 -0.000 0.000 0.261 711 E C -1.071 175.460 176.600 -0.115 0.000 0.987 711 E CA -0.113 56.196 56.400 -0.151 0.000 0.926 711 E CB 0.282 29.895 29.700 -0.145 0.000 0.934 711 E HN 0.514 nan 8.360 nan 0.000 0.452 712 L N 4.450 125.578 121.223 -0.159 0.000 2.334 712 L HA 0.502 4.842 4.340 -0.000 0.000 0.275 712 L C -0.066 176.754 176.870 -0.082 0.000 1.036 712 L CA -0.373 54.353 54.840 -0.190 0.000 0.807 712 L CB 1.340 43.191 42.059 -0.347 0.000 1.231 712 L HN 0.574 nan 8.230 nan 0.000 0.438 713 K N 3.291 123.706 120.400 0.026 0.000 2.562 713 K HA 0.579 4.899 4.320 -0.000 0.000 0.267 713 K C -1.924 174.832 176.600 0.259 0.000 0.938 713 K CA -0.573 55.787 56.287 0.122 0.000 0.840 713 K CB 2.046 34.595 32.500 0.081 0.000 1.390 713 K HN 0.499 nan 8.250 nan 0.000 0.428 714 I N 2.650 123.354 120.570 0.224 0.000 2.468 714 I HA 0.295 4.465 4.170 -0.000 0.000 0.285 714 I C -1.093 175.145 176.117 0.203 0.000 1.039 714 I CA -0.539 60.903 61.300 0.238 0.000 1.074 714 I CB 2.087 40.238 38.000 0.251 0.000 1.228 714 I HN 0.627 nan 8.210 nan 0.000 0.436 715 E N 6.804 127.105 120.200 0.167 0.000 2.256 715 E HA 0.492 4.842 4.350 -0.000 0.000 0.268 715 E C -1.417 175.250 176.600 0.113 0.000 0.877 715 E CA -0.813 55.664 56.400 0.129 0.000 0.757 715 E CB 2.517 32.276 29.700 0.098 0.000 1.183 715 E HN 0.460 nan 8.360 nan 0.000 0.418 716 K N 2.978 123.437 120.400 0.097 0.000 2.468 716 K HA 0.631 4.951 4.320 -0.000 0.000 0.252 716 K C -0.269 176.351 176.600 0.032 0.000 0.932 716 K CA 0.178 56.509 56.287 0.073 0.000 0.794 716 K CB 1.654 34.212 32.500 0.098 0.000 1.241 716 K HN 0.734 nan 8.250 nan 0.000 0.428 717 G N 2.267 111.077 108.800 0.016 0.000 2.568 717 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.222 717 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.222 717 G C -1.397 173.497 174.900 -0.011 0.000 1.321 717 G CA -0.085 45.009 45.100 -0.009 0.000 0.893 717 G HN 0.661 nan 8.290 nan 0.000 0.569 718 D N 0.529 120.910 120.400 -0.031 0.000 2.420 718 D HA 0.486 5.126 4.640 -0.000 0.000 0.255 718 D C 1.765 178.036 176.300 -0.048 0.000 1.185 718 D CA -0.485 53.502 54.000 -0.022 0.000 0.904 718 D CB 0.803 41.593 40.800 -0.018 0.000 1.102 718 D HN 0.359 nan 8.370 nan 0.000 0.534 719 L N 2.835 124.040 121.223 -0.029 0.000 1.970 719 L HA -0.219 4.121 4.340 -0.000 0.000 0.212 719 L C 2.352 179.249 176.870 0.046 0.000 1.071 719 L CA 1.257 56.067 54.840 -0.051 0.000 0.751 719 L CB -0.268 41.839 42.059 0.081 0.000 0.889 719 L HN 0.314 nan 8.230 nan 0.000 0.432 720 K N 0.888 121.356 120.400 0.113 0.000 2.034 720 K HA -0.289 4.031 4.320 -0.000 0.000 0.214 720 K C 2.105 178.758 176.600 0.088 0.000 1.051 720 K CA 2.066 58.432 56.287 0.133 0.000 0.931 720 K CB -0.309 32.236 32.500 0.075 0.000 0.715 720 K HN 0.077 nan 8.250 nan 0.000 0.446 721 K N -0.772 119.644 120.400 0.026 0.000 2.032 721 K HA -0.122 4.198 4.320 -0.000 0.000 0.209 721 K C 2.106 178.688 176.600 -0.029 0.000 1.048 721 K CA 1.817 58.103 56.287 -0.000 0.000 0.927 721 K CB -0.731 31.759 32.500 -0.016 0.000 0.712 721 K HN 0.345 nan 8.250 nan 0.000 0.441 722 G N 0.555 109.297 108.800 -0.097 0.000 2.491 722 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.218 722 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.218 722 G C 1.371 176.166 174.900 -0.174 0.000 1.180 722 G CA 0.988 45.972 45.100 -0.193 0.000 0.774 722 G HN 0.340 nan 8.290 nan 0.000 0.562 723 F N 1.329 121.250 119.950 -0.047 0.000 2.216 723 F HA -0.078 4.449 4.527 -0.000 0.000 0.300 723 F C 3.082 178.845 175.800 -0.060 0.000 1.085 723 F CA 1.111 59.075 58.000 -0.058 0.000 1.326 723 F CB 0.073 39.042 39.000 -0.051 0.000 1.027 723 F HN 0.084 nan 8.300 nan 0.000 0.497 724 S N -0.453 115.321 115.700 0.122 0.000 2.447 724 S HA -0.147 4.323 4.470 -0.000 0.000 0.233 724 S C 1.625 176.234 174.600 0.014 0.000 1.006 724 S CA 1.070 59.302 58.200 0.054 0.000 0.957 724 S CB -0.277 62.944 63.200 0.035 0.000 0.773 724 S HN 0.481 nan 8.310 nan 0.000 0.507 725 E N 1.204 121.402 120.200 -0.004 0.000 2.318 725 E HA 0.240 4.590 4.350 -0.000 0.000 0.193 725 E C 0.719 177.296 176.600 -0.039 0.000 0.998 725 E CA 0.074 56.459 56.400 -0.026 0.000 0.859 725 E CB 0.050 29.726 29.700 -0.039 0.000 0.812 725 E HN 0.387 nan 8.360 nan 0.000 0.492 726 A N 1.830 124.625 122.820 -0.041 0.000 2.511 726 A HA -0.036 4.284 4.320 -0.000 0.000 0.242 726 A C 0.478 177.997 177.584 -0.109 0.000 1.069 726 A CA -0.165 51.825 52.037 -0.078 0.000 0.763 726 A CB 0.305 19.262 19.000 -0.071 0.000 1.001 726 A HN -0.013 nan 8.150 nan 0.000 0.498 727 D N 0.757 121.067 120.400 -0.151 0.000 2.123 727 D HA -0.032 4.608 4.640 -0.000 0.000 0.200 727 D C 0.061 176.218 176.300 -0.237 0.000 0.976 727 D CA 1.327 55.236 54.000 -0.151 0.000 0.831 727 D CB 0.090 40.819 40.800 -0.118 0.000 0.974 727 D HN 0.627 nan 8.370 nan 0.000 0.469 728 N N -0.243 118.174 118.700 -0.472 0.000 2.265 728 N HA 0.393 5.133 4.740 -0.000 0.000 0.300 728 N C -1.041 174.053 175.510 -0.693 0.000 1.148 728 N CA -0.469 52.205 53.050 -0.626 0.000 0.772 728 N CB 3.216 41.170 38.487 -0.887 0.000 1.434 728 N HN -0.270 nan 8.380 nan 0.000 0.481 729 V N 1.157 120.871 119.914 -0.333 0.000 2.569 729 V HA 0.395 4.515 4.120 -0.000 0.000 0.301 729 V C -0.450 175.670 176.094 0.043 0.000 1.044 729 V CA -0.748 61.499 62.300 -0.089 0.000 0.874 729 V CB 2.111 33.901 31.823 -0.056 0.000 1.002 729 V HN 0.367 nan 8.190 nan 0.000 0.424 730 V N 3.401 123.456 119.914 0.236 0.000 2.495 730 V HA 0.692 4.812 4.120 -0.000 0.000 0.298 730 V C 0.017 176.183 176.094 0.120 0.000 1.031 730 V CA -0.191 62.246 62.300 0.228 0.000 0.871 730 V CB 2.069 34.126 31.823 0.389 0.000 0.988 730 V HN 0.871 nan 8.190 nan 0.000 0.432 731 S N 2.575 118.262 115.700 -0.021 0.000 2.542 731 S HA 0.962 5.432 4.470 -0.000 0.000 0.293 731 S C -0.151 174.229 174.600 -0.366 0.000 1.089 731 S CA 0.272 58.343 58.200 -0.215 0.000 0.961 731 S CB 1.764 64.856 63.200 -0.180 0.000 1.062 731 S HN 1.280 nan 8.310 nan 0.000 0.483 732 G N 1.621 109.922 108.800 -0.832 0.000 2.489 732 G HA2 0.515 4.475 3.960 -0.000 0.000 0.305 732 G HA3 0.515 4.475 3.960 -0.000 0.000 0.305 732 G C -2.005 172.538 174.900 -0.595 0.000 1.311 732 G CA -0.581 44.128 45.100 -0.651 0.000 0.813 732 G HN 0.722 nan 8.290 nan 0.000 0.480 733 E N -1.106 119.042 120.200 -0.087 0.000 2.293 733 E HA 0.686 5.036 4.350 -0.000 0.000 0.270 733 E C -1.964 174.834 176.600 0.331 0.000 0.879 733 E CA -0.736 55.745 56.400 0.136 0.000 0.756 733 E CB 2.525 32.277 29.700 0.086 0.000 1.208 733 E HN 0.491 nan 8.360 nan 0.000 0.428 734 L N 3.866 125.325 121.223 0.393 0.000 2.434 734 L HA 0.570 4.910 4.340 -0.000 0.000 0.260 734 L C -2.107 175.017 176.870 0.423 0.000 0.983 734 L CA -0.648 54.425 54.840 0.388 0.000 0.820 734 L CB 1.930 44.191 42.059 0.336 0.000 1.361 734 L HN 0.671 nan 8.230 nan 0.000 0.410 735 Y N 4.057 124.529 120.300 0.286 0.000 2.477 735 Y HA 0.732 5.282 4.550 -0.000 0.000 0.347 735 Y C -1.435 174.620 175.900 0.259 0.000 0.981 735 Y CA -0.933 57.322 58.100 0.257 0.000 1.033 735 Y CB 1.828 40.400 38.460 0.187 0.000 1.245 735 Y HN 0.614 nan 8.280 nan 0.000 0.455 736 I N 5.433 125.683 120.570 -0.532 0.000 2.439 736 I HA 0.667 4.837 4.170 -0.000 0.000 0.285 736 I C 0.016 175.698 176.117 -0.725 0.000 1.021 736 I CA -0.294 60.739 61.300 -0.445 0.000 1.091 736 I CB 1.062 38.925 38.000 -0.229 0.000 1.242 736 I HN 0.814 nan 8.210 nan 0.000 0.439 737 G N 4.465 113.012 108.800 -0.422 0.000 2.636 737 G HA2 0.438 4.398 3.960 -0.000 0.000 0.246 737 G HA3 0.438 4.398 3.960 -0.000 0.000 0.246 737 G C 0.403 175.208 174.900 -0.158 0.000 1.216 737 G CA -0.003 44.996 45.100 -0.169 0.000 0.854 737 G HN 0.865 nan 8.290 nan 0.000 0.572 738 G N -1.429 107.351 108.800 -0.034 0.000 2.486 738 G HA2 0.489 4.449 3.960 -0.000 0.000 0.272 738 G HA3 0.489 4.449 3.960 -0.000 0.000 0.272 738 G C -0.179 174.662 174.900 -0.097 0.000 1.426 738 G CA -0.095 44.977 45.100 -0.047 0.000 1.058 738 G HN 0.773 nan 8.290 nan 0.000 0.531 739 Q N -1.419 118.326 119.800 -0.092 0.000 2.503 739 Q HA 0.173 4.513 4.340 -0.000 0.000 0.268 739 Q C -2.254 173.785 176.000 0.066 0.000 0.982 739 Q CA -0.671 55.087 55.803 -0.075 0.000 0.907 739 Q CB 2.227 30.686 28.738 -0.465 0.000 1.467 739 Q HN 0.619 nan 8.270 nan 0.000 0.394 740 D N 1.228 121.684 120.400 0.093 0.000 2.177 740 D HA 0.148 4.788 4.640 -0.000 0.000 0.247 740 D C 0.333 176.735 176.300 0.170 0.000 1.063 740 D CA -0.006 53.980 54.000 -0.023 0.000 0.867 740 D CB 0.909 41.473 40.800 -0.392 0.000 1.168 740 D HN 0.720 nan 8.370 nan 0.000 0.445 741 H N 3.130 122.162 119.070 -0.063 0.000 2.319 741 H HA -0.120 4.436 4.556 -0.000 0.000 0.297 741 H C 0.587 175.683 175.328 -0.385 0.000 1.097 741 H CA 1.134 56.831 56.048 -0.585 0.000 1.285 741 H CB -0.251 28.999 29.762 -0.854 0.000 1.368 741 H HN 0.518 nan 8.280 nan 0.000 0.495 742 F N 0.426 120.098 119.950 -0.463 0.000 3.004 742 F HA -0.272 4.255 4.527 -0.000 0.000 0.264 742 F C -0.820 174.864 175.800 -0.194 0.000 0.979 742 F CA -0.574 57.268 58.000 -0.263 0.000 0.896 742 F CB -1.636 37.371 39.000 0.011 0.000 0.813 742 F HN 0.117 nan 8.300 nan 0.000 0.804 743 Y N -0.004 120.367 120.300 0.119 0.000 2.497 743 Y HA 0.224 4.774 4.550 -0.000 0.000 0.334 743 Y C 1.123 177.023 175.900 -0.000 0.000 1.199 743 Y CA -1.442 56.786 58.100 0.213 0.000 1.425 743 Y CB 0.069 38.589 38.460 0.101 0.000 1.291 743 Y HN 0.090 nan 8.280 nan 0.000 0.562 744 L N 0.973 122.356 121.223 0.266 0.000 2.127 744 L HA -0.117 4.223 4.340 -0.000 0.000 0.211 744 L C 1.009 177.847 176.870 -0.054 0.000 1.089 744 L CA 1.552 56.520 54.840 0.214 0.000 0.757 744 L CB -0.596 41.703 42.059 0.400 0.000 0.899 744 L HN 0.865 nan 8.230 nan 0.000 0.434 745 E N 0.587 120.482 120.200 -0.509 0.000 2.146 745 E HA 0.178 4.528 4.350 -0.000 0.000 0.282 745 E C -0.063 176.269 176.600 -0.447 0.000 0.989 745 E CA -0.317 55.473 56.400 -1.016 0.000 0.799 745 E CB 1.102 29.906 29.700 -1.493 0.000 1.088 745 E HN 0.227 nan 8.360 nan 0.000 0.397 746 T N 1.468 115.868 114.554 -0.256 0.000 2.698 746 T HA 0.114 4.464 4.350 -0.000 0.000 0.295 746 T C 0.639 175.144 174.700 -0.324 0.000 1.007 746 T CA -0.561 61.451 62.100 -0.148 0.000 0.980 746 T CB 0.370 69.263 68.868 0.042 0.000 1.036 746 T HN 0.449 nan 8.240 nan 0.000 0.526 747 H N -0.990 117.950 119.070 -0.216 0.000 2.897 747 H HA 0.329 4.884 4.556 -0.000 0.000 0.347 747 H C -0.013 175.263 175.328 -0.086 0.000 1.068 747 H CA 0.154 56.089 56.048 -0.188 0.000 1.426 747 H CB 0.525 30.227 29.762 -0.099 0.000 1.410 747 H HN 0.712 nan 8.280 nan 0.000 0.597 748 C N 2.766 122.084 119.300 0.030 0.000 3.090 748 C HA 0.422 4.882 4.460 -0.000 0.000 0.347 748 C C -0.745 174.283 174.990 0.064 0.000 1.147 748 C CA -0.187 58.861 59.018 0.050 0.000 1.305 748 C CB 1.320 29.074 27.740 0.023 0.000 1.692 748 C HN 0.888 nan 8.230 nan 0.000 0.506 749 T N 5.388 119.992 114.554 0.084 0.000 2.956 749 T HA 0.587 4.937 4.350 -0.000 0.000 0.312 749 T C -1.242 173.520 174.700 0.103 0.000 1.151 749 T CA -0.233 61.922 62.100 0.091 0.000 1.024 749 T CB 1.192 70.105 68.868 0.076 0.000 1.140 749 T HN 0.585 nan 8.240 nan 0.000 0.473 750 I N 2.324 122.982 120.570 0.147 0.000 2.436 750 I HA 0.688 4.858 4.170 -0.000 0.000 0.289 750 I C -0.174 176.060 176.117 0.195 0.000 1.010 750 I CA -0.949 60.449 61.300 0.163 0.000 1.098 750 I CB 1.665 39.789 38.000 0.205 0.000 1.266 750 I HN 0.704 nan 8.210 nan 0.000 0.434 751 A N 7.853 130.751 122.820 0.130 0.000 2.318 751 A HA 0.786 5.106 4.320 -0.000 0.000 0.317 751 A C -0.788 176.858 177.584 0.103 0.000 1.159 751 A CA -0.463 51.636 52.037 0.103 0.000 0.799 751 A CB 0.866 19.904 19.000 0.064 0.000 1.194 751 A HN 0.514 nan 8.150 nan 0.000 0.479 752 I N 4.640 125.272 120.570 0.103 0.000 2.354 752 I HA 0.333 4.503 4.170 -0.000 0.000 0.286 752 I C -2.469 173.654 176.117 0.011 0.000 1.007 752 I CA -2.577 58.758 61.300 0.059 0.000 1.167 752 I CB 1.322 39.397 38.000 0.125 0.000 1.320 752 I HN 0.390 nan 8.210 nan 0.000 0.458 753 P HA 0.265 nan 4.420 nan 0.000 0.287 753 P C 0.006 177.283 177.300 -0.039 0.000 1.281 753 P CA -0.489 62.608 63.100 -0.005 0.000 0.781 753 P CB 1.763 33.467 31.700 0.006 0.000 0.903 754 K N 2.392 122.778 120.400 -0.024 0.000 2.243 754 K HA 0.089 4.409 4.320 -0.000 0.000 0.201 754 K C 1.561 178.139 176.600 -0.037 0.000 1.051 754 K CA 1.067 57.332 56.287 -0.036 0.000 0.970 754 K CB -0.779 31.709 32.500 -0.019 0.000 0.755 754 K HN 0.825 nan 8.250 nan 0.000 0.465 755 G N 1.475 110.262 108.800 -0.022 0.000 2.175 755 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.244 755 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.244 755 G C -0.272 174.622 174.900 -0.011 0.000 0.982 755 G CA 0.045 45.131 45.100 -0.023 0.000 0.641 755 G HN 0.365 nan 8.290 nan 0.000 0.527 756 E N 0.537 120.734 120.200 -0.005 0.000 2.176 756 E HA 0.472 4.822 4.350 -0.000 0.000 0.267 756 E C 0.190 176.794 176.600 0.007 0.000 0.893 756 E CA -0.835 55.565 56.400 -0.001 0.000 0.761 756 E CB 0.954 30.651 29.700 -0.005 0.000 1.133 756 E HN 0.168 nan 8.360 nan 0.000 0.409 757 E N 1.450 121.656 120.200 0.011 0.000 2.450 757 E HA -0.300 4.050 4.350 -0.000 0.000 0.244 757 E C 0.727 177.338 176.600 0.019 0.000 1.226 757 E CA 1.216 57.624 56.400 0.013 0.000 0.720 757 E CB -1.398 28.305 29.700 0.005 0.000 1.254 757 E HN 1.128 nan 8.360 nan 0.000 0.399 758 G N -0.015 108.807 108.800 0.036 0.000 2.162 758 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.260 758 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.260 758 G C 0.136 175.054 174.900 0.030 0.000 0.976 758 G CA 0.613 45.742 45.100 0.049 0.000 0.655 758 G HN 0.411 nan 8.290 nan 0.000 0.533 759 E N -0.262 119.948 120.200 0.017 0.000 2.452 759 E HA 0.423 4.773 4.350 -0.000 0.000 0.261 759 E C 0.353 176.957 176.600 0.007 0.000 0.987 759 E CA 0.533 56.936 56.400 0.004 0.000 0.926 759 E CB 0.537 30.235 29.700 -0.002 0.000 0.934 759 E HN 0.471 nan 8.360 nan 0.000 0.452 760 M N 2.683 122.280 119.600 -0.005 0.000 2.371 760 M HA 0.216 4.696 4.480 -0.000 0.000 0.287 760 M C -1.671 174.606 176.300 -0.038 0.000 1.149 760 M CA -0.425 54.871 55.300 -0.007 0.000 0.929 760 M CB 2.085 34.690 32.600 0.009 0.000 1.683 760 M HN 0.406 nan 8.290 nan 0.000 0.470 761 E N 3.986 124.158 120.200 -0.047 0.000 2.176 761 E HA 0.620 4.970 4.350 -0.000 0.000 0.267 761 E C -2.033 174.461 176.600 -0.177 0.000 0.893 761 E CA -0.636 55.683 56.400 -0.135 0.000 0.761 761 E CB 1.430 31.062 29.700 -0.114 0.000 1.133 761 E HN 0.601 nan 8.360 nan 0.000 0.409 762 L N 4.277 125.331 121.223 -0.282 0.000 2.362 762 L HA 0.495 4.835 4.340 -0.000 0.000 0.271 762 L C -1.058 175.562 176.870 -0.417 0.000 1.002 762 L CA -0.459 54.255 54.840 -0.210 0.000 0.818 762 L CB 1.245 43.256 42.059 -0.081 0.000 1.298 762 L HN 0.512 nan 8.230 nan 0.000 0.420 763 F N 2.439 122.398 119.950 0.016 0.000 2.375 763 F HA 0.698 5.225 4.527 -0.000 0.000 0.361 763 F C -0.159 175.644 175.800 0.004 0.000 1.117 763 F CA -0.833 57.172 58.000 0.009 0.000 1.037 763 F CB 1.554 40.566 39.000 0.019 0.000 1.192 763 F HN 0.029 nan 8.300 nan 0.000 0.452 764 V N 1.354 121.327 119.914 0.098 0.000 2.876 764 V HA 0.390 4.510 4.120 -0.000 0.000 0.312 764 V C -0.298 175.803 176.094 0.012 0.000 1.085 764 V CA -1.056 61.274 62.300 0.050 0.000 0.945 764 V CB 2.161 33.989 31.823 0.008 0.000 1.017 764 V HN 0.636 nan 8.190 nan 0.000 0.428 765 S N 2.505 118.193 115.700 -0.020 0.000 2.955 765 S HA 0.500 4.970 4.470 -0.000 0.000 0.294 765 S C -0.189 174.331 174.600 -0.133 0.000 1.198 765 S CA -0.009 58.134 58.200 -0.094 0.000 1.008 765 S CB -0.367 62.734 63.200 -0.165 0.000 1.279 765 S HN 1.010 nan 8.310 nan 0.000 0.508 766 T N 2.975 117.467 114.554 -0.103 0.000 2.868 766 T HA 0.368 4.718 4.350 -0.000 0.000 0.306 766 T C 0.117 174.760 174.700 -0.094 0.000 1.224 766 T CA -0.531 61.511 62.100 -0.097 0.000 1.012 766 T CB 1.685 70.520 68.868 -0.055 0.000 1.221 766 T HN 0.516 nan 8.240 nan 0.000 0.499 767 Q N 1.425 121.175 119.800 -0.083 0.000 2.319 767 Q HA 0.279 4.619 4.340 -0.000 0.000 0.202 767 Q C 0.081 176.059 176.000 -0.038 0.000 0.896 767 Q CA -0.048 55.718 55.803 -0.063 0.000 0.942 767 Q CB 0.356 29.066 28.738 -0.046 0.000 1.083 767 Q HN 0.322 nan 8.270 nan 0.000 0.510 768 N N 0.074 118.743 118.700 -0.052 0.000 2.790 768 N HA 0.281 5.021 4.740 -0.000 0.000 0.256 768 N C -0.276 175.179 175.510 -0.091 0.000 1.409 768 N CA -0.067 52.944 53.050 -0.065 0.000 0.799 768 N CB 1.039 39.477 38.487 -0.081 0.000 1.170 768 N HN 0.115 nan 8.380 nan 0.000 0.507 769 A N 2.654 125.428 122.820 -0.077 0.000 1.969 769 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 769 A C 2.118 179.648 177.584 -0.090 0.000 1.169 769 A CA 0.979 52.967 52.037 -0.082 0.000 0.635 769 A CB -0.262 18.692 19.000 -0.076 0.000 0.810 769 A HN 0.664 nan 8.150 nan 0.000 0.445 770 M N -0.830 118.720 119.600 -0.084 0.000 2.067 770 M HA -0.163 4.317 4.480 -0.000 0.000 0.260 770 M C 1.806 178.020 176.300 -0.143 0.000 1.069 770 M CA 1.838 57.088 55.300 -0.083 0.000 1.117 770 M CB -0.133 32.434 32.600 -0.055 0.000 1.334 770 M HN 0.125 nan 8.290 nan 0.000 0.407 771 K N -0.216 120.042 120.400 -0.237 0.000 2.148 771 K HA -0.047 4.273 4.320 -0.000 0.000 0.204 771 K C 1.904 178.203 176.600 -0.502 0.000 1.050 771 K CA 1.770 57.758 56.287 -0.500 0.000 0.942 771 K CB -0.882 31.206 32.500 -0.686 0.000 0.724 771 K HN 0.447 nan 8.250 nan 0.000 0.446 772 T N 1.708 116.097 114.554 -0.276 0.000 2.708 772 T HA -0.197 4.153 4.350 -0.000 0.000 0.266 772 T C 1.935 176.594 174.700 -0.068 0.000 1.037 772 T CA 1.537 63.552 62.100 -0.141 0.000 1.146 772 T CB -0.077 68.739 68.868 -0.088 0.000 0.865 772 T HN 0.373 nan 8.240 nan 0.000 0.435 773 Q N 0.960 120.714 119.800 -0.077 0.000 2.020 773 Q HA -0.159 4.181 4.340 -0.000 0.000 0.202 773 Q C 2.506 178.505 176.000 -0.001 0.000 0.982 773 Q CA 2.118 57.896 55.803 -0.041 0.000 0.838 773 Q CB -0.209 28.500 28.738 -0.050 0.000 0.899 773 Q HN 0.651 nan 8.270 nan 0.000 0.423 774 S N -0.438 115.264 115.700 0.003 0.000 2.383 774 S HA -0.102 4.368 4.470 -0.000 0.000 0.227 774 S C 1.774 176.512 174.600 0.230 0.000 1.026 774 S CA 0.799 59.049 58.200 0.083 0.000 0.981 774 S CB -0.546 62.702 63.200 0.080 0.000 0.818 774 S HN 0.355 nan 8.310 nan 0.000 0.472 775 F N 1.985 121.909 119.950 -0.043 0.000 2.146 775 F HA 0.089 4.616 4.527 -0.000 0.000 0.298 775 F C 2.633 178.394 175.800 -0.066 0.000 1.096 775 F CA -0.359 57.611 58.000 -0.050 0.000 1.275 775 F CB -1.209 37.767 39.000 -0.040 0.000 1.008 775 F HN 0.088 nan 8.300 nan 0.000 0.480 776 V N -0.119 119.877 119.914 0.137 0.000 2.427 776 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 776 V C 2.602 178.689 176.094 -0.011 0.000 1.051 776 V CA 1.610 63.929 62.300 0.031 0.000 1.048 776 V CB -1.304 30.526 31.823 0.012 0.000 0.666 776 V HN 0.311 nan 8.190 nan 0.000 0.456 777 A N -0.375 122.448 122.820 0.005 0.000 1.930 777 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 777 A C 2.339 179.899 177.584 -0.040 0.000 1.175 777 A CA 2.078 54.102 52.037 -0.022 0.000 0.627 777 A CB -0.444 18.551 19.000 -0.008 0.000 0.815 777 A HN 0.508 nan 8.150 nan 0.000 0.443 778 K N -1.030 119.357 120.400 -0.021 0.000 2.097 778 K HA -0.120 4.200 4.320 -0.000 0.000 0.205 778 K C 2.125 178.666 176.600 -0.098 0.000 1.050 778 K CA 1.497 57.751 56.287 -0.056 0.000 0.938 778 K CB -0.207 32.258 32.500 -0.059 0.000 0.718 778 K HN 0.451 nan 8.250 nan 0.000 0.442 779 M N 1.038 120.573 119.600 -0.109 0.000 2.132 779 M HA -0.120 4.360 4.480 -0.000 0.000 0.263 779 M C 1.672 177.862 176.300 -0.183 0.000 1.065 779 M CA 1.555 56.765 55.300 -0.149 0.000 1.122 779 M CB -0.323 32.183 32.600 -0.157 0.000 1.365 779 M HN 0.204 nan 8.290 nan 0.000 0.411 780 L N -0.141 120.970 121.223 -0.187 0.000 2.313 780 L HA 0.066 4.406 4.340 -0.000 0.000 0.214 780 L C 1.327 178.061 176.870 -0.226 0.000 1.119 780 L CA 0.656 55.329 54.840 -0.278 0.000 0.809 780 L CB -0.740 41.183 42.059 -0.227 0.000 0.933 780 L HN 0.633 nan 8.230 nan 0.000 0.449 781 G N 1.022 109.736 108.800 -0.143 0.000 2.212 781 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.255 781 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.255 781 G C -0.027 174.825 174.900 -0.079 0.000 1.062 781 G CA 0.217 45.255 45.100 -0.103 0.000 0.815 781 G HN 0.298 nan 8.290 nan 0.000 0.497 782 V N -3.765 116.108 119.914 -0.069 0.000 3.001 782 V HA 0.959 5.079 4.120 -0.000 0.000 0.314 782 V C -2.160 173.914 176.094 -0.034 0.000 1.099 782 V CA -2.903 59.369 62.300 -0.046 0.000 0.989 782 V CB 1.926 33.724 31.823 -0.041 0.000 1.040 782 V HN 0.057 nan 8.190 nan 0.000 0.434 783 P HA 0.222 nan 4.420 nan 0.000 0.269 783 P C 0.985 178.273 177.300 -0.020 0.000 1.215 783 P CA -0.085 63.002 63.100 -0.021 0.000 0.780 783 P CB 0.824 32.513 31.700 -0.018 0.000 0.898 784 V N 1.581 121.484 119.914 -0.017 0.000 2.594 784 V HA -0.237 3.883 4.120 -0.000 0.000 0.253 784 V C 1.843 177.926 176.094 -0.018 0.000 1.069 784 V CA 2.202 64.493 62.300 -0.015 0.000 1.082 784 V CB -1.375 30.441 31.823 -0.013 0.000 0.680 784 V HN 0.689 nan 8.190 nan 0.000 0.469 785 N N 0.490 119.179 118.700 -0.017 0.000 2.609 785 N HA -0.157 4.583 4.740 -0.000 0.000 0.190 785 N C 1.528 177.028 175.510 -0.017 0.000 1.157 785 N CA 0.817 53.857 53.050 -0.016 0.000 0.918 785 N CB -0.349 38.130 38.487 -0.014 0.000 0.978 785 N HN 0.301 nan 8.380 nan 0.000 0.448 786 R N -0.185 120.305 120.500 -0.017 0.000 2.254 786 R HA 0.246 4.586 4.340 -0.000 0.000 0.195 786 R C -0.026 176.262 176.300 -0.021 0.000 0.957 786 R CA 0.013 56.103 56.100 -0.016 0.000 1.024 786 R CB 0.298 30.590 30.300 -0.012 0.000 0.952 786 R HN 0.250 nan 8.270 nan 0.000 0.484 787 I N 1.987 122.541 120.570 -0.026 0.000 2.336 787 I HA 0.255 4.425 4.170 -0.000 0.000 0.292 787 I C -0.268 175.818 176.117 -0.051 0.000 0.991 787 I CA -1.562 59.717 61.300 -0.036 0.000 1.227 787 I CB 1.297 39.278 38.000 -0.031 0.000 1.366 787 I HN -0.161 nan 8.210 nan 0.000 0.466 788 L N 8.313 129.493 121.223 -0.073 0.000 2.333 788 L HA 0.627 4.967 4.340 -0.000 0.000 0.280 788 L C -0.909 175.872 176.870 -0.148 0.000 1.004 788 L CA -0.355 54.426 54.840 -0.099 0.000 0.820 788 L CB 1.731 43.728 42.059 -0.103 0.000 1.247 788 L HN 0.280 nan 8.230 nan 0.000 0.416 789 V N 5.881 125.712 119.914 -0.138 0.000 2.448 789 V HA 0.631 4.751 4.120 -0.000 0.000 0.295 789 V C -0.179 175.810 176.094 -0.175 0.000 1.025 789 V CA -0.600 61.603 62.300 -0.162 0.000 0.859 789 V CB 1.714 33.472 31.823 -0.109 0.000 0.988 789 V HN 0.738 nan 8.190 nan 0.000 0.431 790 R N 3.288 123.644 120.500 -0.240 0.000 2.534 790 R HA 0.794 5.134 4.340 -0.000 0.000 0.301 790 R C -1.593 174.662 176.300 -0.075 0.000 0.961 790 R CA -0.705 55.288 56.100 -0.178 0.000 0.871 790 R CB 2.478 32.619 30.300 -0.264 0.000 1.170 790 R HN 0.484 nan 8.270 nan 0.000 0.446 791 V N 3.574 123.463 119.914 -0.040 0.000 2.409 791 V HA 0.142 4.262 4.120 -0.000 0.000 0.290 791 V C 0.502 176.599 176.094 0.005 0.000 1.017 791 V CA -0.687 61.607 62.300 -0.011 0.000 0.841 791 V CB 1.424 33.221 31.823 -0.044 0.000 1.003 791 V HN 0.706 nan 8.190 nan 0.000 0.426 792 K N 4.934 125.354 120.400 0.033 0.000 2.005 792 K HA 0.177 4.497 4.320 -0.000 0.000 0.206 792 K C 0.730 177.331 176.600 0.001 0.000 1.044 792 K CA 1.387 57.683 56.287 0.015 0.000 0.942 792 K CB 0.253 32.759 32.500 0.010 0.000 0.727 792 K HN 0.812 nan 8.250 nan 0.000 0.439 793 R N -1.732 118.749 120.500 -0.030 0.000 2.728 793 R HA 0.384 4.724 4.340 -0.000 0.000 0.274 793 R C -1.383 174.906 176.300 -0.018 0.000 1.032 793 R CA -0.796 55.277 56.100 -0.045 0.000 0.866 793 R CB 0.581 30.817 30.300 -0.108 0.000 1.263 793 R HN -0.004 nan 8.270 nan 0.000 0.475 794 M N 0.764 120.358 119.600 -0.010 0.000 2.393 794 M HA 0.402 4.882 4.480 -0.000 0.000 0.316 794 M C 0.420 176.758 176.300 0.064 0.000 1.087 794 M CA -0.693 54.592 55.300 -0.026 0.000 0.937 794 M CB 2.472 34.977 32.600 -0.158 0.000 1.668 794 M HN 0.938 nan 8.290 nan 0.000 0.438 795 G N 1.806 110.609 108.800 0.005 0.000 3.541 795 G HA2 0.501 4.461 3.960 -0.000 0.000 0.253 795 G HA3 0.501 4.461 3.960 -0.000 0.000 0.253 795 G C 0.319 175.163 174.900 -0.094 0.000 1.017 795 G CA 0.245 45.309 45.100 -0.061 0.000 1.832 795 G HN 1.087 nan 8.290 nan 0.000 0.649 796 G N -1.402 107.335 108.800 -0.104 0.000 2.697 796 G HA2 0.384 4.344 3.960 -0.000 0.000 0.686 796 G HA3 0.384 4.344 3.960 -0.000 0.000 0.686 796 G C 0.467 175.179 174.900 -0.313 0.000 1.179 796 G CA -0.333 44.639 45.100 -0.214 0.000 0.765 796 G HN 1.167 nan 8.290 nan 0.000 0.649 797 G N -0.548 107.889 108.800 -0.604 0.000 2.641 797 G HA2 0.538 4.498 3.960 -0.000 0.000 0.211 797 G HA3 0.538 4.498 3.960 -0.000 0.000 0.211 797 G C 0.845 175.691 174.900 -0.090 0.000 1.338 797 G CA 0.859 45.773 45.100 -0.310 0.000 0.572 797 G HN 1.732 nan 8.290 nan 0.000 1.023 798 F N 1.053 121.013 119.950 0.017 0.000 3.100 798 F HA -0.185 4.342 4.527 -0.000 0.000 0.284 798 F C 1.969 177.783 175.800 0.023 0.000 0.875 798 F CA 1.002 59.007 58.000 0.007 0.000 1.039 798 F CB -1.526 37.422 39.000 -0.087 0.000 1.111 798 F HN 1.140 nan 8.300 nan 0.000 0.575 799 G N -1.174 107.694 108.800 0.114 0.000 2.258 799 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.233 799 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.233 799 G C 1.180 176.111 174.900 0.052 0.000 1.006 799 G CA 0.126 45.332 45.100 0.176 0.000 0.620 799 G HN 1.235 nan 8.290 nan 0.000 0.511 800 G N 0.057 108.652 108.800 -0.341 0.000 2.559 800 G HA2 0.186 4.146 3.960 -0.000 0.000 0.216 800 G HA3 0.186 4.146 3.960 -0.000 0.000 0.216 800 G C 1.168 176.012 174.900 -0.093 0.000 1.126 800 G CA 1.374 46.052 45.100 -0.704 0.000 0.778 800 G HN 0.536 nan 8.290 nan 0.000 0.543 801 K N -0.273 120.070 120.400 -0.094 0.000 2.478 801 K HA 0.191 4.511 4.320 -0.000 0.000 0.205 801 K C 1.338 177.936 176.600 -0.002 0.000 1.033 801 K CA -0.148 56.108 56.287 -0.051 0.000 1.091 801 K CB 0.738 33.081 32.500 -0.263 0.000 0.844 801 K HN 0.296 nan 8.250 nan 0.000 0.507 802 E N 0.827 121.056 120.200 0.047 0.000 2.152 802 E HA -0.130 4.220 4.350 -0.000 0.000 0.192 802 E C 1.236 177.876 176.600 0.067 0.000 0.983 802 E CA 1.782 58.227 56.400 0.074 0.000 0.818 802 E CB 0.455 30.247 29.700 0.152 0.000 0.758 802 E HN 0.317 nan 8.360 nan 0.000 0.467 803 T N -3.205 111.407 114.554 0.097 0.000 3.336 803 T HA 0.159 4.509 4.350 -0.000 0.000 0.273 803 T C 1.511 176.269 174.700 0.096 0.000 0.932 803 T CA -0.575 61.574 62.100 0.081 0.000 0.995 803 T CB -0.216 68.742 68.868 0.150 0.000 1.213 803 T HN -0.097 nan 8.240 nan 0.000 0.502 804 R N 2.830 123.399 120.500 0.115 0.000 2.341 804 R HA 0.115 4.455 4.340 -0.000 0.000 0.213 804 R C 2.515 178.782 176.300 -0.055 0.000 1.082 804 R CA 1.181 57.313 56.100 0.054 0.000 1.017 804 R CB -1.218 29.113 30.300 0.051 0.000 0.860 804 R HN 0.767 nan 8.270 nan 0.000 0.473 805 S N 0.030 115.771 115.700 0.069 0.000 2.447 805 S HA -0.128 4.342 4.470 -0.000 0.000 0.233 805 S C 1.883 176.508 174.600 0.043 0.000 1.006 805 S CA 1.353 59.624 58.200 0.118 0.000 0.957 805 S CB -0.538 62.770 63.200 0.180 0.000 0.773 805 S HN 0.455 nan 8.310 nan 0.000 0.507 806 T N 0.782 115.367 114.554 0.053 0.000 3.007 806 T HA 0.139 4.489 4.350 -0.000 0.000 0.270 806 T C 1.698 176.448 174.700 0.083 0.000 1.107 806 T CA 0.686 62.845 62.100 0.098 0.000 1.118 806 T CB -0.795 68.218 68.868 0.241 0.000 0.889 806 T HN 0.404 nan 8.240 nan 0.000 0.506 807 L N 0.516 121.764 121.223 0.041 0.000 2.042 807 L HA -0.068 4.272 4.340 -0.000 0.000 0.210 807 L C 2.879 179.768 176.870 0.031 0.000 1.076 807 L CA 1.107 55.965 54.840 0.030 0.000 0.749 807 L CB -0.662 41.399 42.059 0.003 0.000 0.893 807 L HN 0.209 nan 8.230 nan 0.000 0.432 808 V N -1.433 118.492 119.914 0.018 0.000 2.379 808 V HA -0.164 3.956 4.120 -0.000 0.000 0.243 808 V C 2.522 178.647 176.094 0.053 0.000 1.035 808 V CA 1.586 63.916 62.300 0.051 0.000 1.035 808 V CB -0.008 31.852 31.823 0.061 0.000 0.673 808 V HN 0.321 nan 8.190 nan 0.000 0.457 809 S N 0.450 116.178 115.700 0.047 0.000 2.365 809 S HA -0.199 4.271 4.470 -0.000 0.000 0.225 809 S C 2.014 176.628 174.600 0.024 0.000 1.039 809 S CA 1.750 59.975 58.200 0.041 0.000 1.033 809 S CB -0.326 62.897 63.200 0.037 0.000 0.887 809 S HN 0.383 nan 8.310 nan 0.000 0.447 810 V N 1.755 121.675 119.914 0.010 0.000 2.515 810 V HA -0.135 3.985 4.120 -0.000 0.000 0.250 810 V C 2.561 178.594 176.094 -0.103 0.000 1.058 810 V CA 1.502 63.775 62.300 -0.045 0.000 1.064 810 V CB -1.198 30.584 31.823 -0.068 0.000 0.675 810 V HN 0.537 nan 8.190 nan 0.000 0.461 811 A N -0.062 122.712 122.820 -0.077 0.000 1.898 811 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 811 A C 2.369 179.988 177.584 0.058 0.000 1.181 811 A CA 1.900 53.917 52.037 -0.033 0.000 0.620 811 A CB -0.599 18.485 19.000 0.140 0.000 0.819 811 A HN 0.331 nan 8.150 nan 0.000 0.442 812 V N -0.066 119.883 119.914 0.059 0.000 2.427 812 V HA -0.214 3.906 4.120 -0.000 0.000 0.248 812 V C 3.027 179.153 176.094 0.053 0.000 1.051 812 V CA 1.764 64.103 62.300 0.065 0.000 1.048 812 V CB -1.209 30.652 31.823 0.064 0.000 0.666 812 V HN 0.603 nan 8.190 nan 0.000 0.456 813 A N -0.000 122.840 122.820 0.034 0.000 1.902 813 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 813 A C 2.171 179.792 177.584 0.062 0.000 1.181 813 A CA 2.114 54.172 52.037 0.035 0.000 0.623 813 A CB -0.570 18.433 19.000 0.006 0.000 0.818 813 A HN 0.457 nan 8.150 nan 0.000 0.443 814 L N -0.229 121.015 121.223 0.035 0.000 2.046 814 L HA -0.066 4.274 4.340 -0.000 0.000 0.208 814 L C 2.669 179.629 176.870 0.151 0.000 1.077 814 L CA 2.201 57.092 54.840 0.084 0.000 0.747 814 L CB -0.800 41.269 42.059 0.015 0.000 0.896 814 L HN 0.343 nan 8.230 nan 0.000 0.432 815 A N -0.453 122.429 122.820 0.103 0.000 1.908 815 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 815 A C 2.456 180.069 177.584 0.049 0.000 1.181 815 A CA 1.971 54.048 52.037 0.067 0.000 0.627 815 A CB -1.211 17.819 19.000 0.050 0.000 0.818 815 A HN 0.588 nan 8.150 nan 0.000 0.445 816 A N -1.421 121.440 122.820 0.067 0.000 1.902 816 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 816 A C 2.153 179.779 177.584 0.069 0.000 1.181 816 A CA 1.687 53.760 52.037 0.060 0.000 0.623 816 A CB -0.849 18.188 19.000 0.063 0.000 0.818 816 A HN 0.801 nan 8.150 nan 0.000 0.443 817 Y N 1.153 121.452 120.300 -0.001 0.000 2.145 817 Y HA -0.249 4.301 4.550 -0.000 0.000 0.286 817 Y C 2.314 178.215 175.900 0.001 0.000 1.145 817 Y CA 2.616 60.714 58.100 -0.003 0.000 1.148 817 Y CB -0.308 38.146 38.460 -0.010 0.000 0.981 817 Y HN 0.278 nan 8.280 nan 0.000 0.507 818 K N 0.217 120.538 120.400 -0.131 0.000 2.057 818 K HA -0.130 4.190 4.320 -0.000 0.000 0.207 818 K C 2.011 178.502 176.600 -0.181 0.000 1.049 818 K CA 2.452 58.613 56.287 -0.209 0.000 0.931 818 K CB -1.015 31.482 32.500 -0.005 0.000 0.714 818 K HN 0.506 nan 8.250 nan 0.000 0.440 819 T N -4.103 110.386 114.554 -0.107 0.000 3.035 819 T HA 0.196 4.546 4.350 -0.000 0.000 0.259 819 T C 1.585 176.313 174.700 0.047 0.000 1.078 819 T CA 0.670 62.716 62.100 -0.090 0.000 1.132 819 T CB -0.350 68.415 68.868 -0.172 0.000 0.900 819 T HN 0.450 nan 8.240 nan 0.000 0.480 820 G N 1.103 109.914 108.800 0.018 0.000 2.159 820 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.256 820 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.256 820 G C -0.004 174.952 174.900 0.093 0.000 0.977 820 G CA 0.322 45.441 45.100 0.032 0.000 0.652 820 G HN 0.789 nan 8.290 nan 0.000 0.531 821 H N 0.719 119.740 119.070 -0.081 0.000 2.616 821 H HA 0.396 4.952 4.556 -0.000 0.000 0.353 821 H C -2.313 172.966 175.328 -0.082 0.000 1.170 821 H CA -1.920 54.077 56.048 -0.084 0.000 1.212 821 H CB 2.318 32.041 29.762 -0.065 0.000 1.653 821 H HN 0.104 nan 8.280 nan 0.000 0.537 822 P HA 0.058 nan 4.420 nan 0.000 0.272 822 P C -0.652 176.653 177.300 0.008 0.000 1.223 822 P CA -0.123 62.979 63.100 0.003 0.000 0.784 822 P CB 1.296 32.990 31.700 -0.009 0.000 0.923 823 V N 2.624 122.535 119.914 -0.006 0.000 3.049 823 V HA 0.624 4.744 4.120 -0.000 0.000 0.309 823 V C 0.148 176.206 176.094 -0.061 0.000 1.148 823 V CA -0.733 61.528 62.300 -0.065 0.000 0.990 823 V CB 2.448 34.260 31.823 -0.020 0.000 1.039 823 V HN 0.736 nan 8.190 nan 0.000 0.430 824 R N 1.483 121.903 120.500 -0.134 0.000 2.799 824 R HA 0.927 5.267 4.340 -0.000 0.000 0.270 824 R C -1.586 174.737 176.300 0.038 0.000 1.010 824 R CA -0.630 55.442 56.100 -0.045 0.000 0.916 824 R CB 1.829 32.084 30.300 -0.076 0.000 1.228 824 R HN 0.779 nan 8.270 nan 0.000 0.469 825 C N 2.926 122.284 119.300 0.096 0.000 2.871 825 C HA 0.614 5.074 4.460 -0.000 0.000 0.378 825 C C -1.182 173.887 174.990 0.131 0.000 1.052 825 C CA -0.569 58.533 59.018 0.141 0.000 1.250 825 C CB 1.305 29.123 27.740 0.130 0.000 1.689 825 C HN 1.001 nan 8.230 nan 0.000 0.506 826 M N 7.011 126.697 119.600 0.144 0.000 2.253 826 M HA 0.570 5.050 4.480 -0.000 0.000 0.314 826 M C -1.273 175.098 176.300 0.119 0.000 1.019 826 M CA -0.553 54.818 55.300 0.118 0.000 0.932 826 M CB 1.176 33.846 32.600 0.118 0.000 1.606 826 M HN 0.717 nan 8.290 nan 0.000 0.430 827 L N 4.039 125.333 121.223 0.117 0.000 2.456 827 L HA 0.185 4.525 4.340 -0.000 0.000 0.272 827 L C 0.166 177.105 176.870 0.114 0.000 1.189 827 L CA -0.276 54.638 54.840 0.124 0.000 0.846 827 L CB 0.218 42.366 42.059 0.149 0.000 1.111 827 L HN 0.664 nan 8.230 nan 0.000 0.475 828 D N 1.064 121.531 120.400 0.112 0.000 2.358 828 D HA 0.051 4.691 4.640 -0.000 0.000 0.244 828 D C 0.911 177.292 176.300 0.134 0.000 1.163 828 D CA -0.381 53.687 54.000 0.114 0.000 0.945 828 D CB 0.989 41.843 40.800 0.090 0.000 1.152 828 D HN 0.319 nan 8.370 nan 0.000 0.451 829 R N 1.584 122.174 120.500 0.150 0.000 2.091 829 R HA -0.165 4.175 4.340 -0.000 0.000 0.238 829 R C 1.584 177.974 176.300 0.150 0.000 1.136 829 R CA 1.730 57.901 56.100 0.118 0.000 0.959 829 R CB -0.505 29.870 30.300 0.126 0.000 0.856 829 R HN 0.555 nan 8.270 nan 0.000 0.437 830 N N 0.397 119.228 118.700 0.219 0.000 2.223 830 N HA -0.187 4.553 4.740 -0.000 0.000 0.185 830 N C 1.187 176.791 175.510 0.158 0.000 1.016 830 N CA 1.726 54.900 53.050 0.206 0.000 0.863 830 N CB -0.347 38.319 38.487 0.299 0.000 0.983 830 N HN 0.474 nan 8.380 nan 0.000 0.429 831 E N 0.454 120.745 120.200 0.152 0.000 2.047 831 E HA -0.142 4.208 4.350 -0.000 0.000 0.191 831 E C 1.464 178.146 176.600 0.136 0.000 0.987 831 E CA 0.827 57.309 56.400 0.137 0.000 0.799 831 E CB -0.094 29.684 29.700 0.131 0.000 0.752 831 E HN 0.391 nan 8.360 nan 0.000 0.449 832 D N 0.797 121.287 120.400 0.150 0.000 2.092 832 D HA -0.176 4.464 4.640 -0.000 0.000 0.193 832 D C 2.011 178.409 176.300 0.164 0.000 0.994 832 D CA 1.229 55.344 54.000 0.191 0.000 0.828 832 D CB 0.050 40.994 40.800 0.239 0.000 0.963 832 D HN 0.147 nan 8.370 nan 0.000 0.450 833 M N -0.156 119.509 119.600 0.108 0.000 2.213 833 M HA -0.156 4.324 4.480 -0.000 0.000 0.263 833 M C 2.308 178.647 176.300 0.065 0.000 1.062 833 M CA 0.718 56.052 55.300 0.056 0.000 1.105 833 M CB -0.077 32.527 32.600 0.006 0.000 1.385 833 M HN 0.071 nan 8.290 nan 0.000 0.417 834 L N 0.437 121.711 121.223 0.086 0.000 2.068 834 L HA -0.019 4.321 4.340 -0.000 0.000 0.204 834 L C 1.968 178.905 176.870 0.112 0.000 1.076 834 L CA 1.713 56.609 54.840 0.094 0.000 0.753 834 L CB -0.181 41.939 42.059 0.102 0.000 0.910 834 L HN 0.171 nan 8.230 nan 0.000 0.439 835 I N -0.966 119.672 120.570 0.113 0.000 2.429 835 I HA -0.133 4.037 4.170 -0.000 0.000 0.247 835 I C 2.121 178.289 176.117 0.085 0.000 1.099 835 I CA 1.269 62.631 61.300 0.103 0.000 1.422 835 I CB -0.760 37.300 38.000 0.100 0.000 1.112 835 I HN 0.353 nan 8.210 nan 0.000 0.430 836 T N -0.767 113.840 114.554 0.088 0.000 3.163 836 T HA 0.279 4.629 4.350 -0.000 0.000 0.260 836 T C 1.045 175.842 174.700 0.161 0.000 1.156 836 T CA 0.361 62.504 62.100 0.072 0.000 1.072 836 T CB -0.747 68.152 68.868 0.051 0.000 0.937 836 T HN 0.601 nan 8.240 nan 0.000 0.528 837 G N -0.793 108.107 108.800 0.166 0.000 2.787 837 G HA2 0.357 4.317 3.960 -0.000 0.000 0.685 837 G HA3 0.357 4.317 3.960 -0.000 0.000 0.685 837 G C -0.086 174.979 174.900 0.276 0.000 1.437 837 G CA -0.591 44.614 45.100 0.176 0.000 0.872 837 G HN 1.161 nan 8.290 nan 0.000 0.566 838 G N -0.586 108.326 108.800 0.187 0.000 3.085 838 G HA2 0.764 4.724 3.960 -0.000 0.000 0.264 838 G HA3 0.764 4.724 3.960 -0.000 0.000 0.264 838 G C -0.017 174.981 174.900 0.164 0.000 1.206 838 G CA 0.049 45.228 45.100 0.131 0.000 0.809 838 G HN 0.878 nan 8.290 nan 0.000 0.592 839 R N -0.233 120.363 120.500 0.160 0.000 2.641 839 R HA 0.236 4.576 4.340 -0.000 0.000 0.269 839 R C -0.652 175.704 176.300 0.094 0.000 1.074 839 R CA -0.301 55.878 56.100 0.132 0.000 1.133 839 R CB 0.051 30.226 30.300 -0.207 0.000 1.029 839 R HN 0.570 nan 8.270 nan 0.000 0.488 840 H N 4.123 123.258 119.070 0.107 0.000 2.819 840 H HA 0.189 4.745 4.556 -0.000 0.000 0.303 840 H C -2.033 173.419 175.328 0.206 0.000 1.058 840 H CA -1.336 54.812 56.048 0.166 0.000 1.471 840 H CB 0.805 30.726 29.762 0.265 0.000 1.480 840 H HN 0.429 nan 8.280 nan 0.000 0.517 841 P HA 0.096 nan 4.420 nan 0.000 0.271 841 P C -0.810 176.623 177.300 0.222 0.000 1.218 841 P CA 0.138 63.288 63.100 0.083 0.000 0.780 841 P CB 0.667 32.413 31.700 0.077 0.000 0.901 842 F N 1.617 121.471 119.950 -0.160 0.000 2.551 842 F HA 0.527 5.054 4.527 -0.000 0.000 0.316 842 F C -0.398 175.431 175.800 0.048 0.000 1.089 842 F CA -0.997 57.017 58.000 0.023 0.000 0.915 842 F CB 1.698 40.745 39.000 0.079 0.000 1.186 842 F HN 0.074 nan 8.300 nan 0.000 0.456 843 L N 3.534 124.966 121.223 0.347 0.000 2.362 843 L HA 0.898 5.238 4.340 -0.000 0.000 0.275 843 L C -1.199 175.918 176.870 0.412 0.000 0.998 843 L CA -0.359 54.725 54.840 0.406 0.000 0.820 843 L CB 1.496 43.763 42.059 0.346 0.000 1.270 843 L HN 0.602 nan 8.230 nan 0.000 0.415 844 A N 4.585 127.627 122.820 0.370 0.000 2.371 844 A HA 0.882 5.202 4.320 -0.000 0.000 0.311 844 A C -0.888 176.885 177.584 0.314 0.000 1.068 844 A CA -0.715 51.507 52.037 0.309 0.000 0.744 844 A CB 1.265 20.408 19.000 0.239 0.000 1.239 844 A HN 0.667 nan 8.150 nan 0.000 0.435 845 R N 1.174 121.829 120.500 0.259 0.000 2.360 845 R HA 0.603 4.942 4.340 -0.000 0.000 0.318 845 R C -1.390 175.005 176.300 0.158 0.000 0.950 845 R CA -0.270 55.926 56.100 0.161 0.000 0.837 845 R CB 0.903 31.288 30.300 0.141 0.000 1.165 845 R HN 0.784 nan 8.270 nan 0.000 0.458 846 Y N -0.360 119.977 120.300 0.062 0.000 2.602 846 Y HA 0.714 5.264 4.550 -0.000 0.000 0.342 846 Y C -1.083 174.833 175.900 0.027 0.000 1.029 846 Y CA -1.329 56.795 58.100 0.040 0.000 1.080 846 Y CB 1.792 40.294 38.460 0.070 0.000 1.284 846 Y HN 0.296 nan 8.280 nan 0.000 0.485 847 K N 2.279 122.763 120.400 0.140 0.000 2.619 847 K HA 0.608 4.928 4.320 -0.000 0.000 0.251 847 K C -2.606 174.137 176.600 0.239 0.000 0.987 847 K CA -0.722 55.614 56.287 0.083 0.000 0.844 847 K CB 2.448 34.907 32.500 -0.067 0.000 1.237 847 K HN 0.817 nan 8.250 nan 0.000 0.447 848 V N 3.200 123.255 119.914 0.235 0.000 2.540 848 V HA 0.800 4.920 4.120 -0.000 0.000 0.302 848 V C -0.476 175.843 176.094 0.375 0.000 1.035 848 V CA -0.221 62.168 62.300 0.148 0.000 0.873 848 V CB 1.623 33.325 31.823 -0.203 0.000 0.992 848 V HN 0.851 nan 8.190 nan 0.000 0.428 849 G N 5.925 114.889 108.800 0.272 0.000 2.372 849 G HA2 0.762 4.722 3.960 -0.000 0.000 0.323 849 G HA3 0.762 4.722 3.960 -0.000 0.000 0.323 849 G C -1.200 173.791 174.900 0.150 0.000 1.152 849 G CA -0.525 44.685 45.100 0.182 0.000 0.906 849 G HN 1.035 nan 8.290 nan 0.000 0.460 850 F N 0.299 120.233 119.950 -0.027 0.000 2.686 850 F HA 0.745 5.272 4.527 -0.000 0.000 0.311 850 F C -0.568 175.219 175.800 -0.021 0.000 1.128 850 F CA -1.871 56.101 58.000 -0.047 0.000 0.946 850 F CB 1.339 40.315 39.000 -0.039 0.000 1.336 850 F HN 0.228 nan 8.300 nan 0.000 0.457 851 M N 1.922 121.598 119.600 0.126 0.000 2.283 851 M HA 0.297 4.777 4.480 -0.000 0.000 0.314 851 M C 1.162 177.539 176.300 0.128 0.000 1.153 851 M CA -0.734 54.592 55.300 0.045 0.000 1.084 851 M CB 1.432 34.054 32.600 0.036 0.000 1.468 851 M HN 0.905 nan 8.290 nan 0.000 0.474 852 K N -0.550 119.888 120.400 0.063 0.000 2.360 852 K HA -0.111 4.209 4.320 -0.000 0.000 0.201 852 K C 1.106 177.776 176.600 0.116 0.000 1.046 852 K CA 1.799 58.144 56.287 0.096 0.000 0.940 852 K CB -0.793 31.735 32.500 0.048 0.000 0.748 852 K HN 0.806 nan 8.250 nan 0.000 0.465 853 T N -3.272 111.340 114.554 0.097 0.000 3.113 853 T HA 0.214 4.564 4.350 -0.000 0.000 0.256 853 T C 1.524 176.277 174.700 0.089 0.000 1.131 853 T CA 0.399 62.547 62.100 0.080 0.000 1.074 853 T CB 0.109 69.010 68.868 0.055 0.000 0.944 853 T HN 0.499 nan 8.240 nan 0.000 0.516 854 G N 0.681 109.565 108.800 0.140 0.000 2.176 854 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.232 854 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.232 854 G C 0.203 175.133 174.900 0.051 0.000 0.986 854 G CA -0.014 45.142 45.100 0.094 0.000 0.643 854 G HN 0.679 nan 8.290 nan 0.000 0.522 855 T N 3.125 117.718 114.554 0.065 0.000 2.853 855 T HA 0.466 4.816 4.350 -0.000 0.000 0.298 855 T C 0.960 175.688 174.700 0.047 0.000 0.978 855 T CA 0.017 62.127 62.100 0.017 0.000 1.152 855 T CB 0.914 69.781 68.868 -0.001 0.000 0.914 855 T HN 0.247 nan 8.240 nan 0.000 0.539 856 I N 4.223 124.784 120.570 -0.015 0.000 2.496 856 I HA 0.107 4.277 4.170 -0.000 0.000 0.285 856 I C 1.090 177.160 176.117 -0.078 0.000 1.080 856 I CA 0.041 61.319 61.300 -0.038 0.000 1.404 856 I CB 0.884 38.816 38.000 -0.114 0.000 1.403 856 I HN 0.457 nan 8.210 nan 0.000 0.539 857 V N 4.738 124.593 119.914 -0.098 0.000 3.484 857 V HA 0.392 4.512 4.120 -0.000 0.000 0.252 857 V C 0.542 176.478 176.094 -0.264 0.000 1.282 857 V CA 0.473 62.684 62.300 -0.149 0.000 1.104 857 V CB 0.875 32.626 31.823 -0.120 0.000 0.868 857 V HN 0.865 nan 8.190 nan 0.000 0.457 858 A N 0.532 123.130 122.820 -0.370 0.000 2.547 858 A HA 0.835 5.155 4.320 -0.000 0.000 0.297 858 A C -2.004 175.258 177.584 -0.536 0.000 1.056 858 A CA -0.339 51.319 52.037 -0.630 0.000 0.688 858 A CB 2.329 20.523 19.000 -1.344 0.000 1.282 858 A HN 0.174 nan 8.150 nan 0.000 0.400 859 L N 0.615 121.586 121.223 -0.420 0.000 2.493 859 L HA 0.751 5.091 4.340 -0.000 0.000 0.265 859 L C -0.834 175.993 176.870 -0.073 0.000 0.954 859 L CA 0.061 54.732 54.840 -0.281 0.000 0.844 859 L CB 2.053 43.867 42.059 -0.408 0.000 1.302 859 L HN 0.832 nan 8.230 nan 0.000 0.405 860 E N 3.742 123.987 120.200 0.075 0.000 2.260 860 E HA 0.702 5.052 4.350 -0.000 0.000 0.266 860 E C -2.006 174.667 176.600 0.122 0.000 0.887 860 E CA -0.601 55.882 56.400 0.138 0.000 0.777 860 E CB 1.937 31.784 29.700 0.246 0.000 1.205 860 E HN 0.480 nan 8.360 nan 0.000 0.414 861 V N 3.950 123.931 119.914 0.113 0.000 2.577 861 V HA 0.351 4.471 4.120 -0.000 0.000 0.303 861 V C -0.979 175.132 176.094 0.029 0.000 1.042 861 V CA -0.996 61.349 62.300 0.075 0.000 0.872 861 V CB 2.014 33.862 31.823 0.042 0.000 0.998 861 V HN 0.677 nan 8.190 nan 0.000 0.423 862 D N 2.667 123.066 120.400 -0.002 0.000 2.381 862 D HA 0.450 5.090 4.640 -0.000 0.000 0.235 862 D C -0.568 175.679 176.300 -0.088 0.000 1.068 862 D CA -0.296 53.696 54.000 -0.014 0.000 0.832 862 D CB 1.342 42.188 40.800 0.076 0.000 1.101 862 D HN 0.600 nan 8.370 nan 0.000 0.515 863 H N 1.131 120.142 119.070 -0.098 0.000 2.472 863 H HA 0.429 4.984 4.556 -0.000 0.000 0.335 863 H C -0.727 174.350 175.328 -0.419 0.000 1.136 863 H CA -0.185 55.849 56.048 -0.024 0.000 1.264 863 H CB 0.836 30.686 29.762 0.146 0.000 1.486 863 H HN 0.302 nan 8.280 nan 0.000 0.517 864 Y N 0.216 120.514 120.300 -0.004 0.000 2.386 864 Y HA 0.363 4.913 4.550 -0.000 0.000 0.334 864 Y C -0.395 175.272 175.900 -0.389 0.000 1.002 864 Y CA -0.901 57.128 58.100 -0.118 0.000 1.068 864 Y CB 1.923 40.397 38.460 0.023 0.000 1.203 864 Y HN 0.693 nan 8.280 nan 0.000 0.443 865 S N 1.784 117.268 115.700 -0.360 0.000 2.532 865 S HA 0.453 4.923 4.470 -0.000 0.000 0.301 865 S C -0.879 173.705 174.600 -0.027 0.000 1.083 865 S CA -0.977 56.933 58.200 -0.482 0.000 1.025 865 S CB 1.783 64.559 63.200 -0.706 0.000 1.056 865 S HN 0.623 nan 8.310 nan 0.000 0.494 866 N N 1.272 120.003 118.700 0.052 0.000 2.437 866 N HA 0.365 5.105 4.740 -0.000 0.000 0.243 866 N C 0.679 176.239 175.510 0.083 0.000 1.041 866 N CA -0.210 52.878 53.050 0.064 0.000 0.940 866 N CB 1.293 39.796 38.487 0.026 0.000 1.133 866 N HN 0.797 nan 8.380 nan 0.000 0.506 867 A N 2.607 125.523 122.820 0.160 0.000 2.081 867 A HA 0.386 4.706 4.320 -0.000 0.000 0.214 867 A C 1.134 178.787 177.584 0.115 0.000 1.158 867 A CA 0.927 53.096 52.037 0.219 0.000 0.724 867 A CB -0.600 18.647 19.000 0.412 0.000 0.826 867 A HN 0.913 nan 8.150 nan 0.000 0.463 868 G N 0.410 109.262 108.800 0.086 0.000 2.660 868 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.215 868 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.215 868 G C 0.103 175.081 174.900 0.130 0.000 1.345 868 G CA 0.139 45.267 45.100 0.046 0.000 0.877 868 G HN 1.027 nan 8.290 nan 0.000 0.549 869 N N 0.120 118.852 118.700 0.054 0.000 2.421 869 N HA 0.294 5.034 4.740 -0.000 0.000 0.201 869 N C 0.542 176.108 175.510 0.093 0.000 1.198 869 N CA 1.254 54.338 53.050 0.057 0.000 0.838 869 N CB -0.047 38.390 38.487 -0.084 0.000 1.011 869 N HN 1.829 nan 8.380 nan 0.000 0.463 870 S N -1.541 114.197 115.700 0.062 0.000 2.588 870 S HA 0.459 4.929 4.470 -0.000 0.000 0.269 870 S C 0.381 174.719 174.600 -0.436 0.000 1.157 870 S CA -0.954 57.168 58.200 -0.130 0.000 0.824 870 S CB 1.621 64.789 63.200 -0.054 0.000 1.126 870 S HN 0.025 nan 8.310 nan 0.000 0.464 871 R N 0.780 120.894 120.500 -0.643 0.000 2.057 871 R HA 0.105 4.445 4.340 -0.000 0.000 0.229 871 R C 0.887 177.030 176.300 -0.261 0.000 1.136 871 R CA 1.379 57.038 56.100 -0.735 0.000 0.952 871 R CB -0.816 28.918 30.300 -0.943 0.000 0.848 871 R HN 0.900 nan 8.270 nan 0.000 0.430 872 D N -0.763 119.630 120.400 -0.010 0.000 3.417 872 D HA -0.291 4.349 4.640 -0.000 0.000 0.163 872 D C 0.232 176.696 176.300 0.273 0.000 1.070 872 D CA 2.071 56.196 54.000 0.208 0.000 1.047 872 D CB -0.798 40.105 40.800 0.171 0.000 0.514 872 D HN 0.096 nan 8.370 nan 0.000 0.532 873 L N 0.309 121.696 121.223 0.275 0.000 2.629 873 L HA 0.224 4.564 4.340 -0.000 0.000 0.230 873 L C 2.071 179.000 176.870 0.098 0.000 1.151 873 L CA 0.231 55.253 54.840 0.303 0.000 0.924 873 L CB -0.080 42.232 42.059 0.422 0.000 1.137 873 L HN 0.171 nan 8.230 nan 0.000 0.457 874 S N -0.508 115.214 115.700 0.037 0.000 2.387 874 S HA -0.275 4.195 4.470 -0.000 0.000 0.230 874 S C 1.873 176.390 174.600 -0.138 0.000 1.035 874 S CA 1.653 59.792 58.200 -0.102 0.000 1.014 874 S CB -0.255 62.986 63.200 0.068 0.000 0.836 874 S HN 0.579 nan 8.310 nan 0.000 0.466 875 H N 1.238 120.225 119.070 -0.139 0.000 2.326 875 H HA 0.044 4.600 4.556 -0.000 0.000 0.301 875 H C 2.258 177.573 175.328 -0.022 0.000 1.081 875 H CA 1.837 57.822 56.048 -0.104 0.000 1.334 875 H CB -0.292 29.407 29.762 -0.106 0.000 1.385 875 H HN 0.240 nan 8.280 nan 0.000 0.504 876 S N -0.183 115.641 115.700 0.208 0.000 2.399 876 S HA -0.128 4.342 4.470 -0.000 0.000 0.231 876 S C 2.235 176.948 174.600 0.189 0.000 1.022 876 S CA 1.329 59.721 58.200 0.320 0.000 0.983 876 S CB -0.210 63.342 63.200 0.587 0.000 0.803 876 S HN 0.372 nan 8.310 nan 0.000 0.480 877 I N 0.717 121.139 120.570 -0.247 0.000 2.252 877 I HA -0.193 3.977 4.170 -0.000 0.000 0.245 877 I C 2.448 178.438 176.117 -0.212 0.000 1.102 877 I CA 1.099 62.045 61.300 -0.589 0.000 1.385 877 I CB -0.230 37.256 38.000 -0.856 0.000 1.064 877 I HN 0.300 nan 8.210 nan 0.000 0.414 878 M N 0.916 120.392 119.600 -0.206 0.000 2.175 878 M HA -0.173 4.306 4.480 -0.000 0.000 0.264 878 M C 2.000 178.194 176.300 -0.177 0.000 1.063 878 M CA 1.794 57.004 55.300 -0.150 0.000 1.119 878 M CB -0.464 31.975 32.600 -0.268 0.000 1.377 878 M HN 0.120 nan 8.290 nan 0.000 0.415 879 E N -0.670 119.410 120.200 -0.199 0.000 2.051 879 E HA -0.252 4.098 4.350 -0.000 0.000 0.192 879 E C 2.202 178.764 176.600 -0.064 0.000 0.991 879 E CA 1.389 57.694 56.400 -0.159 0.000 0.799 879 E CB -0.392 29.321 29.700 0.022 0.000 0.748 879 E HN 0.538 nan 8.360 nan 0.000 0.449 880 R N 0.826 121.461 120.500 0.225 0.000 2.120 880 R HA -0.122 4.218 4.340 -0.000 0.000 0.234 880 R C 2.249 178.736 176.300 0.312 0.000 1.123 880 R CA 1.182 57.550 56.100 0.446 0.000 0.975 880 R CB -0.156 30.407 30.300 0.439 0.000 0.866 880 R HN 0.149 nan 8.270 nan 0.000 0.446 881 A N 1.119 123.982 122.820 0.071 0.000 1.877 881 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 881 A C 2.165 179.729 177.584 -0.032 0.000 1.186 881 A CA 1.260 53.274 52.037 -0.037 0.000 0.620 881 A CB -0.591 18.332 19.000 -0.127 0.000 0.822 881 A HN 0.344 nan 8.150 nan 0.000 0.443 882 L N -1.869 119.281 121.223 -0.122 0.000 2.083 882 L HA -0.170 4.170 4.340 -0.000 0.000 0.209 882 L C 2.430 179.381 176.870 0.134 0.000 1.083 882 L CA 1.310 56.101 54.840 -0.081 0.000 0.752 882 L CB -0.626 41.349 42.059 -0.140 0.000 0.899 882 L HN 0.438 nan 8.230 nan 0.000 0.433 883 F N -0.863 119.152 119.950 0.108 0.000 2.451 883 F HA -0.177 4.350 4.527 -0.000 0.000 0.299 883 F C 1.710 177.534 175.800 0.039 0.000 1.101 883 F CA 0.660 58.597 58.000 -0.106 0.000 1.436 883 F CB -0.102 38.716 39.000 -0.303 0.000 1.074 883 F HN 0.222 nan 8.300 nan 0.000 0.553 884 H N -1.038 118.233 119.070 0.335 0.000 2.674 884 H HA 0.137 4.693 4.556 -0.000 0.000 0.274 884 H C 1.724 177.131 175.328 0.130 0.000 1.121 884 H CA -0.033 56.148 56.048 0.222 0.000 1.132 884 H CB -0.133 29.667 29.762 0.063 0.000 1.606 884 H HN 0.239 nan 8.280 nan 0.000 0.558 885 M N -0.120 119.603 119.600 0.205 0.000 2.700 885 M HA -0.020 4.460 4.480 -0.000 0.000 0.249 885 M C 0.454 176.818 176.300 0.106 0.000 1.082 885 M CA 1.259 56.653 55.300 0.156 0.000 1.077 885 M CB 0.179 32.899 32.600 0.201 0.000 1.477 885 M HN 0.084 nan 8.290 nan 0.000 0.529 886 D N -1.024 119.396 120.400 0.033 0.000 2.392 886 D HA 0.013 4.653 4.640 -0.000 0.000 0.206 886 D C 0.822 177.176 176.300 0.091 0.000 1.046 886 D CA 0.194 54.233 54.000 0.064 0.000 0.865 886 D CB -0.389 40.431 40.800 0.034 0.000 0.969 886 D HN 0.460 nan 8.370 nan 0.000 0.509 887 N N 0.269 119.011 118.700 0.070 0.000 1.276 887 N HA -0.293 4.447 4.740 -0.000 0.000 0.137 887 N C -0.222 175.245 175.510 -0.072 0.000 0.642 887 N CA 2.615 55.645 53.050 -0.033 0.000 0.986 887 N CB -1.315 37.079 38.487 -0.155 0.000 1.277 887 N HN 0.352 nan 8.380 nan 0.000 0.495 888 C N 0.063 119.054 119.300 -0.514 0.000 2.647 888 C HA 0.455 4.915 4.460 -0.000 0.000 0.296 888 C C -0.739 173.802 174.990 -0.748 0.000 1.403 888 C CA -0.546 58.269 59.018 -0.339 0.000 1.781 888 C CB -2.047 25.537 27.740 -0.259 0.000 2.464 888 C HN 0.339 nan 8.230 nan 0.000 0.559 889 Y N 0.397 120.463 120.300 -0.391 0.000 2.393 889 Y HA 0.389 4.939 4.550 -0.000 0.000 0.341 889 Y C 0.297 175.558 175.900 -1.065 0.000 0.988 889 Y CA -0.888 56.837 58.100 -0.626 0.000 1.078 889 Y CB 0.929 39.235 38.460 -0.257 0.000 1.203 889 Y HN -0.036 nan 8.280 nan 0.000 0.453 890 K N 4.321 124.190 120.400 -0.884 0.000 2.316 890 K HA 0.486 4.806 4.320 -0.000 0.000 0.289 890 K C -1.327 175.115 176.600 -0.262 0.000 1.070 890 K CA -0.076 55.816 56.287 -0.657 0.000 0.928 890 K CB 0.202 32.468 32.500 -0.390 0.000 1.039 890 K HN 0.707 nan 8.250 nan 0.000 0.480 891 I N 7.644 128.118 120.570 -0.160 0.000 2.448 891 I HA 0.205 4.375 4.170 -0.000 0.000 0.281 891 I C -1.811 174.258 176.117 -0.080 0.000 1.027 891 I CA -2.355 58.877 61.300 -0.113 0.000 1.111 891 I CB 1.794 39.730 38.000 -0.107 0.000 1.236 891 I HN 0.540 nan 8.210 nan 0.000 0.452 892 P HA -0.120 nan 4.420 nan 0.000 0.216 892 P C -0.257 177.000 177.300 -0.071 0.000 1.153 892 P CA 1.450 64.508 63.100 -0.071 0.000 0.858 892 P CB 0.158 31.809 31.700 -0.082 0.000 0.789 893 N N -0.086 118.545 118.700 -0.116 0.000 2.483 893 N HA 0.408 5.148 4.740 -0.000 0.000 0.267 893 N C -0.840 174.583 175.510 -0.145 0.000 0.998 893 N CA -0.309 52.664 53.050 -0.128 0.000 0.918 893 N CB 2.078 40.451 38.487 -0.190 0.000 1.215 893 N HN 0.046 nan 8.380 nan 0.000 0.500 894 I N 0.795 121.328 120.570 -0.062 0.000 2.722 894 I HA 0.453 4.623 4.170 -0.000 0.000 0.295 894 I C -1.395 174.745 176.117 0.038 0.000 1.161 894 I CA -0.792 60.487 61.300 -0.035 0.000 1.032 894 I CB 2.592 40.585 38.000 -0.011 0.000 1.244 894 I HN 0.352 nan 8.210 nan 0.000 0.421 895 R N 5.118 125.651 120.500 0.055 0.000 2.510 895 R HA 0.638 4.978 4.340 -0.000 0.000 0.294 895 R C -1.570 174.805 176.300 0.125 0.000 1.056 895 R CA -0.562 55.597 56.100 0.098 0.000 0.918 895 R CB 1.892 32.247 30.300 0.092 0.000 1.187 895 R HN 0.818 nan 8.270 nan 0.000 0.437 896 G N 2.081 110.977 108.800 0.160 0.000 2.609 896 G HA2 0.472 4.432 3.960 -0.000 0.000 0.308 896 G HA3 0.472 4.432 3.960 -0.000 0.000 0.308 896 G C -0.689 174.312 174.900 0.168 0.000 1.369 896 G CA -0.443 44.782 45.100 0.208 0.000 0.958 896 G HN 0.564 nan 8.290 nan 0.000 0.499 897 T N -0.800 113.853 114.554 0.164 0.000 2.924 897 T HA 0.860 5.210 4.350 -0.000 0.000 0.291 897 T C 0.027 174.743 174.700 0.026 0.000 1.045 897 T CA -0.650 61.478 62.100 0.047 0.000 1.015 897 T CB 2.417 71.269 68.868 -0.027 0.000 1.103 897 T HN 1.182 nan 8.240 nan 0.000 0.496 898 G N 0.499 109.223 108.800 -0.127 0.000 2.682 898 G HA2 0.626 4.586 3.960 -0.000 0.000 0.300 898 G HA3 0.626 4.586 3.960 -0.000 0.000 0.300 898 G C -1.623 173.085 174.900 -0.321 0.000 1.391 898 G CA -0.953 44.023 45.100 -0.207 0.000 0.990 898 G HN 0.718 nan 8.290 nan 0.000 0.501 899 R N 0.744 120.998 120.500 -0.409 0.000 2.621 899 R HA 0.594 4.934 4.340 -0.000 0.000 0.284 899 R C -0.884 175.326 176.300 -0.149 0.000 0.998 899 R CA -0.869 55.007 56.100 -0.374 0.000 0.895 899 R CB 1.525 31.438 30.300 -0.645 0.000 1.195 899 R HN 0.423 nan 8.270 nan 0.000 0.450 900 L N 3.608 124.833 121.223 0.004 0.000 2.265 900 L HA 0.475 4.815 4.340 -0.000 0.000 0.289 900 L C -0.402 176.643 176.870 0.293 0.000 1.033 900 L CA -0.948 53.976 54.840 0.141 0.000 0.814 900 L CB 1.469 43.652 42.059 0.206 0.000 1.203 900 L HN 0.531 nan 8.230 nan 0.000 0.423 901 C N 3.238 122.688 119.300 0.250 0.000 2.482 901 C HA 0.143 4.603 4.460 -0.000 0.000 0.378 901 C C 0.854 175.810 174.990 -0.057 0.000 1.284 901 C CA -0.710 58.398 59.018 0.150 0.000 1.826 901 C CB 0.042 27.857 27.740 0.124 0.000 2.473 901 C HN 0.674 nan 8.230 nan 0.000 0.562 902 K N 3.525 123.707 120.400 -0.363 0.000 2.284 902 K HA 0.391 4.711 4.320 -0.000 0.000 0.287 902 K C 0.285 176.698 176.600 -0.311 0.000 1.081 902 K CA 0.201 56.109 56.287 -0.632 0.000 0.910 902 K CB 0.409 32.257 32.500 -1.086 0.000 1.088 902 K HN 0.913 nan 8.250 nan 0.000 0.478 903 T N 0.439 114.897 114.554 -0.160 0.000 2.887 903 T HA 0.295 4.645 4.350 -0.000 0.000 0.292 903 T C -0.139 174.491 174.700 -0.117 0.000 1.087 903 T CA -1.071 60.947 62.100 -0.138 0.000 1.009 903 T CB 1.010 69.813 68.868 -0.109 0.000 1.203 903 T HN 0.526 nan 8.240 nan 0.000 0.518 904 N N 0.549 119.173 118.700 -0.126 0.000 3.250 904 N HA 0.484 5.224 4.740 -0.000 0.000 0.307 904 N C -0.910 174.559 175.510 -0.067 0.000 1.355 904 N CA -0.202 52.781 53.050 -0.112 0.000 1.192 904 N CB -0.273 38.146 38.487 -0.112 0.000 1.478 904 N HN 0.379 nan 8.380 nan 0.000 0.543 905 L N -0.587 120.597 121.223 -0.065 0.000 2.327 905 L HA 0.468 4.808 4.340 -0.000 0.000 0.258 905 L C 0.079 176.937 176.870 -0.021 0.000 1.024 905 L CA -1.122 53.689 54.840 -0.049 0.000 0.825 905 L CB 1.822 43.809 42.059 -0.120 0.000 1.386 905 L HN 0.065 nan 8.230 nan 0.000 0.417 906 S N 0.640 116.353 115.700 0.020 0.000 2.558 906 S HA -0.028 4.442 4.470 -0.000 0.000 0.293 906 S C 0.230 174.836 174.600 0.010 0.000 1.292 906 S CA -0.061 58.155 58.200 0.027 0.000 1.063 906 S CB 0.724 63.968 63.200 0.074 0.000 0.831 906 S HN 0.562 nan 8.310 nan 0.000 0.499 907 S N 3.402 119.106 115.700 0.008 0.000 2.546 907 S HA 0.029 4.499 4.470 -0.000 0.000 0.290 907 S C 0.261 174.866 174.600 0.008 0.000 1.262 907 S CA -0.539 57.668 58.200 0.012 0.000 1.083 907 S CB -0.271 62.944 63.200 0.024 0.000 0.859 907 S HN 0.611 nan 8.310 nan 0.000 0.495 908 N N 2.914 121.557 118.700 -0.096 0.000 2.483 908 N HA 0.375 5.115 4.740 -0.000 0.000 0.269 908 N C 0.297 175.822 175.510 0.025 0.000 1.209 908 N CA -0.117 52.809 53.050 -0.206 0.000 0.969 908 N CB 1.604 39.639 38.487 -0.754 0.000 1.173 908 N HN 0.712 nan 8.380 nan 0.000 0.475 909 T N -1.244 113.445 114.554 0.225 0.000 2.564 909 T HA 0.654 5.004 4.350 -0.000 0.000 0.265 909 T C -1.114 173.866 174.700 0.466 0.000 0.908 909 T CA -0.451 61.881 62.100 0.387 0.000 1.166 909 T CB 0.309 69.372 68.868 0.325 0.000 1.497 909 T HN 0.455 nan 8.240 nan 0.000 0.484 910 A N 0.851 123.960 122.820 0.482 0.000 2.407 910 A HA 0.653 4.973 4.320 -0.000 0.000 0.248 910 A C -0.833 177.160 177.584 0.682 0.000 1.082 910 A CA -0.210 52.183 52.037 0.595 0.000 0.785 910 A CB -0.526 18.908 19.000 0.724 0.000 1.020 910 A HN 0.731 nan 8.150 nan 0.000 0.489 911 F N 1.522 121.752 119.950 0.466 0.000 2.651 911 F HA 0.387 4.914 4.527 -0.000 0.000 0.329 911 F C 0.384 176.364 175.800 0.300 0.000 1.186 911 F CA -1.008 57.230 58.000 0.396 0.000 1.046 911 F CB 1.137 40.230 39.000 0.155 0.000 1.296 911 F HN 0.790 nan 8.300 nan 0.000 0.497 912 R N 4.040 124.997 120.500 0.761 0.000 4.098 912 R HA -0.007 4.333 4.340 -0.000 0.000 0.151 912 R C 0.893 177.386 176.300 0.322 0.000 0.451 912 R CA 2.087 58.475 56.100 0.479 0.000 0.858 912 R CB -0.632 29.958 30.300 0.483 0.000 1.051 912 R HN 1.148 nan 8.270 nan 0.000 0.263 913 G N 3.534 112.504 108.800 0.282 0.000 2.699 913 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.198 913 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.198 913 G C 0.170 175.339 174.900 0.449 0.000 1.033 913 G CA -0.162 45.097 45.100 0.265 0.000 0.728 913 G HN 0.731 nan 8.290 nan 0.000 0.484 914 F N 1.137 121.211 119.950 0.207 0.000 2.866 914 F HA 0.071 4.598 4.527 -0.000 0.000 0.254 914 F C 1.792 177.639 175.800 0.078 0.000 1.009 914 F CA 2.592 60.698 58.000 0.175 0.000 0.907 914 F CB -0.961 38.153 39.000 0.191 0.000 0.859 914 F HN 2.036 nan 8.300 nan 0.000 0.842 915 G N -0.091 108.685 108.800 -0.039 0.000 2.284 915 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.247 915 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.247 915 G C 1.489 176.275 174.900 -0.190 0.000 1.012 915 G CA 0.746 45.736 45.100 -0.183 0.000 0.618 915 G HN 1.547 nan 8.290 nan 0.000 0.521 916 G N 1.650 110.405 108.800 -0.076 0.000 2.433 916 G HA2 0.085 4.045 3.960 -0.000 0.000 0.216 916 G HA3 0.085 4.045 3.960 -0.000 0.000 0.216 916 G C 0.102 174.934 174.900 -0.114 0.000 1.186 916 G CA 1.920 46.919 45.100 -0.168 0.000 0.779 916 G HN 0.540 nan 8.290 nan 0.000 0.543 917 P HA -0.116 nan 4.420 nan 0.000 0.216 917 P C 1.791 179.139 177.300 0.081 0.000 1.153 917 P CA 1.411 64.585 63.100 0.123 0.000 0.858 917 P CB 0.003 31.761 31.700 0.096 0.000 0.789 918 Q N -0.575 119.128 119.800 -0.162 0.000 2.020 918 Q HA -0.106 4.234 4.340 -0.000 0.000 0.202 918 Q C 2.328 178.263 176.000 -0.108 0.000 0.982 918 Q CA 2.056 57.706 55.803 -0.256 0.000 0.838 918 Q CB -1.378 26.778 28.738 -0.969 0.000 0.899 918 Q HN 0.154 nan 8.270 nan 0.000 0.423 919 A N 0.371 123.078 122.820 -0.189 0.000 1.902 919 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 919 A C 2.085 179.647 177.584 -0.037 0.000 1.181 919 A CA 1.227 53.263 52.037 -0.002 0.000 0.623 919 A CB -0.758 18.236 19.000 -0.010 0.000 0.818 919 A HN 0.334 nan 8.150 nan 0.000 0.443 920 L N -2.071 119.015 121.223 -0.228 0.000 2.093 920 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 920 L C 2.450 179.049 176.870 -0.451 0.000 1.085 920 L CA 1.389 55.867 54.840 -0.604 0.000 0.755 920 L CB -0.485 40.709 42.059 -1.441 0.000 0.904 920 L HN 0.521 nan 8.230 nan 0.000 0.435 921 F N 0.829 120.673 119.950 -0.177 0.000 2.146 921 F HA -0.167 4.360 4.527 -0.000 0.000 0.298 921 F C 2.215 178.015 175.800 -0.000 0.000 1.096 921 F CA 1.338 59.426 58.000 0.146 0.000 1.275 921 F CB -0.163 38.940 39.000 0.171 0.000 1.008 921 F HN -0.119 nan 8.300 nan 0.000 0.480 922 I N 0.302 120.812 120.570 -0.100 0.000 2.226 922 I HA -0.294 3.876 4.170 -0.000 0.000 0.245 922 I C 2.688 178.550 176.117 -0.426 0.000 1.100 922 I CA 1.178 62.347 61.300 -0.217 0.000 1.374 922 I CB -0.938 37.096 38.000 0.056 0.000 1.057 922 I HN 0.246 nan 8.210 nan 0.000 0.413 923 A N 0.375 122.958 122.820 -0.396 0.000 1.877 923 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 923 A C 2.228 178.987 177.584 -1.375 0.000 1.186 923 A CA 1.498 53.029 52.037 -0.842 0.000 0.620 923 A CB -0.435 18.370 19.000 -0.325 0.000 0.822 923 A HN 0.306 nan 8.150 nan 0.000 0.443 924 E N -0.110 119.644 120.200 -0.743 0.000 2.204 924 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 924 E C 1.757 177.831 176.600 -0.877 0.000 0.989 924 E CA 1.231 57.163 56.400 -0.780 0.000 0.824 924 E CB -0.480 28.879 29.700 -0.570 0.000 0.756 924 E HN 0.739 nan 8.360 nan 0.000 0.477 925 N N 1.037 119.352 118.700 -0.641 0.000 2.080 925 N HA -0.150 4.590 4.740 -0.000 0.000 0.189 925 N C 1.918 177.218 175.510 -0.351 0.000 1.036 925 N CA 1.894 54.732 53.050 -0.353 0.000 0.846 925 N CB -0.358 37.859 38.487 -0.451 0.000 1.015 925 N HN 0.367 nan 8.380 nan 0.000 0.423 926 W N -0.698 120.343 121.300 -0.431 0.000 2.425 926 W HA -0.023 4.637 4.660 -0.000 0.000 0.277 926 W C 1.613 177.944 176.519 -0.314 0.000 1.231 926 W CA 0.123 57.247 57.345 -0.369 0.000 1.248 926 W CB -0.747 28.457 29.460 -0.425 0.000 1.117 926 W HN 0.153 nan 8.180 nan 0.000 0.568 927 M N 3.380 122.654 119.600 -0.544 0.000 2.132 927 M HA -0.173 4.307 4.480 -0.000 0.000 0.263 927 M C 2.537 178.632 176.300 -0.342 0.000 1.065 927 M CA 2.773 57.768 55.300 -0.508 0.000 1.122 927 M CB -0.900 31.115 32.600 -0.975 0.000 1.365 927 M HN 0.059 nan 8.290 nan 0.000 0.411 928 S N -0.703 114.783 115.700 -0.356 0.000 2.402 928 S HA -0.138 4.332 4.470 -0.000 0.000 0.229 928 S C 1.736 176.270 174.600 -0.110 0.000 1.021 928 S CA 1.419 59.493 58.200 -0.210 0.000 0.974 928 S CB -0.840 62.281 63.200 -0.132 0.000 0.800 928 S HN 0.699 nan 8.310 nan 0.000 0.484 929 E N 0.766 120.916 120.200 -0.084 0.000 2.152 929 E HA -0.010 4.340 4.350 -0.000 0.000 0.192 929 E C 2.102 178.642 176.600 -0.099 0.000 0.983 929 E CA 0.947 57.331 56.400 -0.027 0.000 0.818 929 E CB -0.277 29.466 29.700 0.072 0.000 0.758 929 E HN 0.399 nan 8.360 nan 0.000 0.467 930 V N 1.625 121.390 119.914 -0.249 0.000 2.295 930 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 930 V C 2.382 178.285 176.094 -0.318 0.000 1.049 930 V CA 1.925 63.851 62.300 -0.622 0.000 1.024 930 V CB -0.684 30.711 31.823 -0.713 0.000 0.648 930 V HN 0.305 nan 8.190 nan 0.000 0.447 931 A N -0.263 122.448 122.820 -0.182 0.000 1.883 931 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 931 A C 2.391 179.970 177.584 -0.009 0.000 1.186 931 A CA 2.220 54.213 52.037 -0.074 0.000 0.624 931 A CB -0.764 18.204 19.000 -0.053 0.000 0.822 931 A HN 0.332 nan 8.150 nan 0.000 0.444 932 V N -0.258 119.654 119.914 -0.003 0.000 2.343 932 V HA -0.222 3.898 4.120 -0.000 0.000 0.247 932 V C 2.735 178.872 176.094 0.071 0.000 1.051 932 V CA 2.451 64.775 62.300 0.042 0.000 1.036 932 V CB -1.232 30.619 31.823 0.045 0.000 0.654 932 V HN 0.619 nan 8.190 nan 0.000 0.451 933 T N -1.257 113.350 114.554 0.087 0.000 2.788 933 T HA -0.209 4.141 4.350 -0.000 0.000 0.268 933 T C 1.783 176.594 174.700 0.185 0.000 1.044 933 T CA 1.901 64.104 62.100 0.172 0.000 1.139 933 T CB -0.432 68.631 68.868 0.324 0.000 0.867 933 T HN 0.550 nan 8.240 nan 0.000 0.454 934 C N 0.752 120.153 119.300 0.169 0.000 2.539 934 C HA 0.433 4.893 4.460 -0.000 0.000 0.268 934 C C 2.050 177.102 174.990 0.102 0.000 1.395 934 C CA -0.328 58.785 59.018 0.158 0.000 1.757 934 C CB -1.326 26.505 27.740 0.152 0.000 1.851 934 C HN 0.799 nan 8.230 nan 0.000 0.545 935 G N 1.055 109.906 108.800 0.085 0.000 2.272 935 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.280 935 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.280 935 G C -0.331 174.610 174.900 0.069 0.000 1.067 935 G CA 0.071 45.214 45.100 0.072 0.000 0.902 935 G HN 0.542 nan 8.290 nan 0.000 0.500 936 L N -0.899 120.365 121.223 0.069 0.000 2.354 936 L HA 0.520 4.860 4.340 -0.000 0.000 0.264 936 L C -2.119 174.802 176.870 0.084 0.000 1.008 936 L CA -2.630 52.255 54.840 0.076 0.000 0.819 936 L CB 2.149 44.253 42.059 0.076 0.000 1.339 936 L HN -0.149 nan 8.230 nan 0.000 0.420 937 P HA 0.002 nan 4.420 nan 0.000 0.262 937 P C 0.188 177.574 177.300 0.142 0.000 1.182 937 P CA 0.115 63.301 63.100 0.143 0.000 0.761 937 P CB 0.947 32.761 31.700 0.190 0.000 0.795 938 A N 4.855 127.755 122.820 0.134 0.000 1.908 938 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 938 A C 1.943 179.625 177.584 0.164 0.000 1.181 938 A CA 1.711 53.809 52.037 0.102 0.000 0.627 938 A CB -0.895 18.154 19.000 0.081 0.000 0.818 938 A HN 0.671 nan 8.150 nan 0.000 0.445 939 E N 0.535 120.876 120.200 0.236 0.000 2.153 939 E HA -0.242 4.108 4.350 -0.000 0.000 0.194 939 E C 1.529 178.383 176.600 0.422 0.000 0.988 939 E CA 1.589 58.204 56.400 0.359 0.000 0.811 939 E CB -0.565 29.201 29.700 0.109 0.000 0.746 939 E HN 0.764 nan 8.360 nan 0.000 0.466 940 E N 0.599 120.982 120.200 0.304 0.000 2.072 940 E HA -0.085 4.265 4.350 -0.000 0.000 0.191 940 E C 2.313 179.044 176.600 0.218 0.000 0.985 940 E CA 1.249 57.821 56.400 0.287 0.000 0.801 940 E CB 0.144 29.973 29.700 0.214 0.000 0.750 940 E HN 0.120 nan 8.360 nan 0.000 0.452 941 V N 1.146 121.134 119.914 0.123 0.000 2.358 941 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 941 V C 2.223 178.285 176.094 -0.053 0.000 1.047 941 V CA 1.628 63.938 62.300 0.015 0.000 1.035 941 V CB -0.447 31.347 31.823 -0.048 0.000 0.658 941 V HN 0.186 nan 8.190 nan 0.000 0.452 942 R N -0.899 119.585 120.500 -0.026 0.000 2.073 942 R HA -0.203 4.137 4.340 -0.000 0.000 0.234 942 R C 2.270 178.531 176.300 -0.066 0.000 1.134 942 R CA 2.011 58.051 56.100 -0.100 0.000 0.952 942 R CB -0.484 29.826 30.300 0.017 0.000 0.850 942 R HN 0.724 nan 8.270 nan 0.000 0.433 943 W N 3.589 124.769 121.300 -0.201 0.000 2.335 943 W HA -0.249 4.411 4.660 -0.000 0.000 0.311 943 W C 1.526 177.974 176.519 -0.118 0.000 1.213 943 W CA 1.855 59.046 57.345 -0.257 0.000 1.274 943 W CB -0.027 29.412 29.460 -0.037 0.000 1.148 943 W HN 0.066 nan 8.180 nan 0.000 0.498 944 K N -0.218 120.099 120.400 -0.138 0.000 2.362 944 K HA -0.120 4.200 4.320 -0.000 0.000 0.200 944 K C 1.236 177.684 176.600 -0.254 0.000 1.046 944 K CA 1.492 57.640 56.287 -0.232 0.000 0.952 944 K CB -0.537 31.947 32.500 -0.026 0.000 0.753 944 K HN 0.019 nan 8.250 nan 0.000 0.466 945 N N 0.423 118.998 118.700 -0.207 0.000 2.280 945 N HA 0.072 4.812 4.740 -0.000 0.000 0.192 945 N C -0.004 175.431 175.510 -0.126 0.000 1.109 945 N CA -0.003 52.950 53.050 -0.160 0.000 0.855 945 N CB 0.286 38.670 38.487 -0.173 0.000 0.974 945 N HN 0.282 nan 8.380 nan 0.000 0.482 946 M N 0.925 120.394 119.600 -0.218 0.000 2.245 946 M HA 0.025 4.505 4.480 -0.000 0.000 0.344 946 M C -0.270 175.852 176.300 -0.297 0.000 1.170 946 M CA -0.107 55.041 55.300 -0.254 0.000 1.135 946 M CB 0.544 32.900 32.600 -0.407 0.000 1.574 946 M HN 0.018 nan 8.290 nan 0.000 0.452 947 Y N 3.708 123.835 120.300 -0.289 0.000 2.394 947 Y HA 0.035 4.585 4.550 -0.000 0.000 0.351 947 Y C 0.371 175.982 175.900 -0.482 0.000 1.272 947 Y CA 0.343 58.141 58.100 -0.504 0.000 1.508 947 Y CB 0.513 38.400 38.460 -0.956 0.000 1.369 947 Y HN 0.475 nan 8.280 nan 0.000 0.639 948 K N 0.252 120.482 120.400 -0.284 0.000 2.395 948 K HA 0.428 4.748 4.320 -0.000 0.000 0.247 948 K C -1.228 175.230 176.600 -0.236 0.000 0.973 948 K CA -1.263 54.917 56.287 -0.178 0.000 0.828 948 K CB 1.639 34.062 32.500 -0.130 0.000 1.272 948 K HN 0.390 nan 8.250 nan 0.000 0.439 949 E N 0.522 120.692 120.200 -0.050 0.000 2.652 949 E HA 0.065 4.415 4.350 -0.000 0.000 0.255 949 E C 0.884 177.420 176.600 -0.108 0.000 0.952 949 E CA 2.351 58.727 56.400 -0.039 0.000 0.947 949 E CB -0.240 29.479 29.700 0.033 0.000 0.912 949 E HN 0.826 nan 8.360 nan 0.000 0.489 950 G N 3.981 112.696 108.800 -0.141 0.000 2.241 950 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.244 950 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.244 950 G C -0.005 174.787 174.900 -0.181 0.000 0.998 950 G CA 0.042 45.065 45.100 -0.130 0.000 0.621 950 G HN 0.639 nan 8.290 nan 0.000 0.519 951 D N 0.590 120.836 120.400 -0.257 0.000 2.378 951 D HA 0.454 5.094 4.640 -0.000 0.000 0.238 951 D C 1.086 177.185 176.300 -0.335 0.000 1.180 951 D CA 0.222 54.073 54.000 -0.248 0.000 0.895 951 D CB 0.671 41.353 40.800 -0.197 0.000 1.192 951 D HN 0.346 nan 8.370 nan 0.000 0.438 952 L N 0.976 122.052 121.223 -0.245 0.000 2.322 952 L HA 0.289 4.629 4.340 -0.000 0.000 0.279 952 L C 1.313 177.986 176.870 -0.328 0.000 1.036 952 L CA -0.746 53.921 54.840 -0.287 0.000 0.807 952 L CB 1.468 43.424 42.059 -0.172 0.000 1.226 952 L HN 0.445 nan 8.230 nan 0.000 0.433 953 T N -3.052 111.177 114.554 -0.543 0.000 2.729 953 T HA 0.048 4.398 4.350 -0.000 0.000 0.298 953 T C 1.316 175.879 174.700 -0.229 0.000 1.013 953 T CA -0.282 61.527 62.100 -0.485 0.000 0.957 953 T CB 0.348 68.537 68.868 -1.131 0.000 1.130 953 T HN 0.729 nan 8.240 nan 0.000 0.526 954 H N -0.023 118.981 119.070 -0.110 0.000 2.524 954 H HA 0.033 4.589 4.556 -0.000 0.000 0.282 954 H C 1.166 176.562 175.328 0.113 0.000 1.016 954 H CA 0.701 56.778 56.048 0.048 0.000 1.270 954 H CB -0.779 29.074 29.762 0.152 0.000 1.394 954 H HN 0.745 nan 8.280 nan 0.000 0.568 955 F N 0.254 119.987 119.950 -0.362 0.000 2.668 955 F HA 0.415 4.942 4.527 -0.000 0.000 0.297 955 F C 0.055 175.847 175.800 -0.013 0.000 1.124 955 F CA -1.020 56.868 58.000 -0.187 0.000 1.353 955 F CB -0.165 38.599 39.000 -0.395 0.000 0.992 955 F HN -0.164 nan 8.300 nan 0.000 0.524 956 N N 1.350 119.931 118.700 -0.198 0.000 2.741 956 N HA -0.266 4.474 4.740 -0.000 0.000 0.250 956 N C -0.199 175.210 175.510 -0.168 0.000 1.115 956 N CA 1.010 53.976 53.050 -0.139 0.000 0.724 956 N CB -1.111 37.377 38.487 0.003 0.000 1.090 956 N HN 0.761 nan 8.380 nan 0.000 0.558 957 Q N 0.419 119.991 119.800 -0.381 0.000 2.241 957 Q HA 0.318 4.658 4.340 -0.000 0.000 0.254 957 Q C 0.168 176.029 176.000 -0.232 0.000 0.917 957 Q CA -0.646 55.046 55.803 -0.185 0.000 0.919 957 Q CB 1.272 30.013 28.738 0.005 0.000 1.237 957 Q HN 0.230 nan 8.270 nan 0.000 0.434 958 R N 3.852 124.284 120.500 -0.112 0.000 2.438 958 R HA 0.199 4.539 4.340 -0.000 0.000 0.287 958 R C -0.901 175.331 176.300 -0.113 0.000 1.077 958 R CA -0.192 55.825 56.100 -0.138 0.000 1.034 958 R CB 0.395 30.650 30.300 -0.075 0.000 0.993 958 R HN 0.629 nan 8.270 nan 0.000 0.459 959 L N 5.099 126.177 121.223 -0.242 0.000 2.302 959 L HA 0.264 4.604 4.340 -0.000 0.000 0.285 959 L C -0.151 176.698 176.870 -0.035 0.000 1.090 959 L CA 0.017 54.733 54.840 -0.206 0.000 0.866 959 L CB 0.879 42.586 42.059 -0.587 0.000 1.244 959 L HN 0.572 nan 8.230 nan 0.000 0.435 960 E N 2.315 122.573 120.200 0.096 0.000 2.175 960 E HA 0.417 4.767 4.350 -0.000 0.000 0.278 960 E C 0.643 177.341 176.600 0.165 0.000 0.969 960 E CA -0.350 56.108 56.400 0.095 0.000 0.796 960 E CB 1.764 31.505 29.700 0.069 0.000 1.104 960 E HN 0.717 nan 8.360 nan 0.000 0.395 961 G N 3.198 112.072 108.800 0.123 0.000 2.225 961 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.264 961 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.264 961 G C -0.315 174.671 174.900 0.144 0.000 1.060 961 G CA -0.251 44.923 45.100 0.123 0.000 0.833 961 G HN 0.503 nan 8.290 nan 0.000 0.498 962 F N 2.482 122.365 119.950 -0.112 0.000 2.490 962 F HA 0.457 4.984 4.527 -0.000 0.000 0.357 962 F C 1.440 176.979 175.800 -0.436 0.000 1.166 962 F CA -0.198 57.556 58.000 -0.411 0.000 1.116 962 F CB 0.645 39.450 39.000 -0.324 0.000 1.171 962 F HN 0.287 nan 8.300 nan 0.000 0.576 963 S N 2.934 118.053 115.700 -0.968 0.000 2.557 963 S HA 0.035 4.505 4.470 -0.000 0.000 0.223 963 S C 1.563 175.795 174.600 -0.613 0.000 0.969 963 S CA 0.244 58.108 58.200 -0.559 0.000 0.927 963 S CB -0.380 62.693 63.200 -0.212 0.000 0.806 963 S HN 0.408 nan 8.310 nan 0.000 0.489 964 V N 2.898 122.120 119.914 -1.154 0.000 2.324 964 V HA -0.101 4.019 4.120 -0.000 0.000 0.250 964 V C -0.374 175.611 176.094 -0.181 0.000 1.060 964 V CA 2.016 63.940 62.300 -0.626 0.000 1.042 964 V CB -1.763 29.587 31.823 -0.789 0.000 0.650 964 V HN 0.393 nan 8.190 nan 0.000 0.450 965 P HA -0.164 nan 4.420 nan 0.000 0.216 965 P C 1.788 179.206 177.300 0.196 0.000 1.153 965 P CA 1.565 64.803 63.100 0.231 0.000 0.858 965 P CB -0.104 31.753 31.700 0.261 0.000 0.789 966 R N -1.176 119.360 120.500 0.060 0.000 2.066 966 R HA -0.096 4.244 4.340 -0.000 0.000 0.232 966 R C 2.335 178.671 176.300 0.060 0.000 1.131 966 R CA 1.674 57.804 56.100 0.050 0.000 0.955 966 R CB -1.262 29.043 30.300 0.009 0.000 0.851 966 R HN 0.247 nan 8.270 nan 0.000 0.432 967 C N -0.342 118.990 119.300 0.053 0.000 2.429 967 C HA -0.140 4.320 4.460 -0.000 0.000 0.277 967 C C 2.386 177.448 174.990 0.121 0.000 1.262 967 C CA 0.059 59.120 59.018 0.072 0.000 1.733 967 C CB -1.105 26.682 27.740 0.078 0.000 2.010 967 C HN 0.666 nan 8.230 nan 0.000 0.483 968 W N 2.170 123.452 121.300 -0.029 0.000 2.354 968 W HA -0.129 4.531 4.660 -0.000 0.000 0.315 968 W C 1.869 178.340 176.519 -0.081 0.000 1.206 968 W CA 1.787 59.115 57.345 -0.028 0.000 1.290 968 W CB -0.553 28.945 29.460 0.063 0.000 1.152 968 W HN 0.377 nan 8.180 nan 0.000 0.489 969 D N 0.218 120.679 120.400 0.101 0.000 2.117 969 D HA -0.191 4.449 4.640 -0.000 0.000 0.197 969 D C 1.923 178.169 176.300 -0.091 0.000 0.987 969 D CA 1.702 55.667 54.000 -0.057 0.000 0.829 969 D CB -0.557 40.236 40.800 -0.010 0.000 0.961 969 D HN 0.401 nan 8.370 nan 0.000 0.460 970 E N 0.028 120.202 120.200 -0.043 0.000 2.077 970 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 970 E C 2.228 178.778 176.600 -0.082 0.000 0.989 970 E CA 0.643 57.015 56.400 -0.046 0.000 0.800 970 E CB -0.141 29.549 29.700 -0.017 0.000 0.746 970 E HN 0.218 nan 8.360 nan 0.000 0.452 971 C N 0.746 119.977 119.300 -0.114 0.000 2.429 971 C HA -0.091 4.369 4.460 -0.000 0.000 0.277 971 C C 2.571 177.428 174.990 -0.221 0.000 1.262 971 C CA 0.508 59.436 59.018 -0.150 0.000 1.733 971 C CB -1.008 26.634 27.740 -0.163 0.000 2.010 971 C HN 0.377 nan 8.230 nan 0.000 0.483 972 L N 0.772 121.782 121.223 -0.355 0.000 2.042 972 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 972 L C 2.763 179.534 176.870 -0.164 0.000 1.076 972 L CA 2.220 56.825 54.840 -0.391 0.000 0.749 972 L CB -0.706 41.047 42.059 -0.510 0.000 0.893 972 L HN 0.439 nan 8.230 nan 0.000 0.432 973 K N 0.011 120.347 120.400 -0.107 0.000 1.991 973 K HA -0.165 4.155 4.320 -0.000 0.000 0.207 973 K C 2.328 178.907 176.600 -0.034 0.000 1.045 973 K CA 1.712 57.976 56.287 -0.039 0.000 0.937 973 K CB -0.053 32.428 32.500 -0.030 0.000 0.720 973 K HN 0.331 nan 8.250 nan 0.000 0.438 974 S N 0.239 115.912 115.700 -0.045 0.000 2.423 974 S HA -0.120 4.350 4.470 -0.000 0.000 0.231 974 S C 1.951 176.534 174.600 -0.028 0.000 1.014 974 S CA 1.407 59.588 58.200 -0.032 0.000 0.965 974 S CB -0.324 62.858 63.200 -0.031 0.000 0.785 974 S HN 0.434 nan 8.310 nan 0.000 0.495 975 S N 0.527 116.202 115.700 -0.042 0.000 2.528 975 S HA 0.129 4.599 4.470 -0.000 0.000 0.219 975 S C 0.642 175.229 174.600 -0.021 0.000 0.985 975 S CA 0.124 58.306 58.200 -0.029 0.000 0.914 975 S CB -0.717 62.461 63.200 -0.037 0.000 0.776 975 S HN 0.549 nan 8.310 nan 0.000 0.526 976 Q N -0.507 119.283 119.800 -0.017 0.000 2.468 976 Q HA -0.277 4.063 4.340 -0.000 0.000 0.289 976 Q C 0.206 176.191 176.000 -0.025 0.000 1.299 976 Q CA 0.677 56.478 55.803 -0.004 0.000 0.838 976 Q CB -2.300 26.434 28.738 -0.007 0.000 1.195 976 Q HN 0.790 nan 8.270 nan 0.000 0.456 977 Y N -0.229 119.941 120.300 -0.217 0.000 2.040 977 Y HA -0.376 4.174 4.550 -0.000 0.000 0.275 977 Y C 1.698 177.420 175.900 -0.296 0.000 1.171 977 Y CA 2.704 60.602 58.100 -0.336 0.000 1.123 977 Y CB -0.470 37.634 38.460 -0.593 0.000 0.963 977 Y HN 0.408 nan 8.280 nan 0.000 0.493 978 Y N -0.504 119.805 120.300 0.014 0.000 2.165 978 Y HA -0.266 4.284 4.550 -0.000 0.000 0.286 978 Y C 2.694 178.526 175.900 -0.114 0.000 1.155 978 Y CA 1.117 59.176 58.100 -0.068 0.000 1.164 978 Y CB -0.930 37.548 38.460 0.031 0.000 0.978 978 Y HN 0.265 nan 8.280 nan 0.000 0.513 979 A N 0.393 123.251 122.820 0.063 0.000 1.902 979 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 979 A C 2.196 179.750 177.584 -0.050 0.000 1.181 979 A CA 1.676 53.721 52.037 0.012 0.000 0.623 979 A CB -0.525 18.484 19.000 0.014 0.000 0.818 979 A HN 0.402 nan 8.150 nan 0.000 0.443 980 R N -0.799 119.634 120.500 -0.111 0.000 2.148 980 R HA -0.045 4.295 4.340 -0.000 0.000 0.223 980 R C 2.234 178.421 176.300 -0.187 0.000 1.088 980 R CA 1.224 57.240 56.100 -0.140 0.000 0.985 980 R CB -0.185 30.024 30.300 -0.151 0.000 0.880 980 R HN 0.605 nan 8.270 nan 0.000 0.451 981 K N 0.500 120.728 120.400 -0.287 0.000 2.097 981 K HA -0.097 4.223 4.320 -0.000 0.000 0.206 981 K C 1.838 178.370 176.600 -0.113 0.000 1.049 981 K CA 1.647 57.769 56.287 -0.275 0.000 0.933 981 K CB 0.112 32.393 32.500 -0.365 0.000 0.717 981 K HN -0.009 nan 8.250 nan 0.000 0.442 982 S N 0.920 116.579 115.700 -0.068 0.000 2.383 982 S HA -0.156 4.314 4.470 -0.000 0.000 0.227 982 S C 1.724 176.317 174.600 -0.013 0.000 1.026 982 S CA 1.200 59.387 58.200 -0.022 0.000 0.981 982 S CB -0.207 62.989 63.200 -0.006 0.000 0.818 982 S HN 0.437 nan 8.310 nan 0.000 0.472 983 E N 1.309 121.493 120.200 -0.026 0.000 2.077 983 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 983 E C 1.986 178.599 176.600 0.022 0.000 0.989 983 E CA 1.243 57.640 56.400 -0.005 0.000 0.800 983 E CB -0.117 29.563 29.700 -0.033 0.000 0.746 983 E HN 0.321 nan 8.360 nan 0.000 0.452 984 V N 2.180 122.084 119.914 -0.017 0.000 2.295 984 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 984 V C 2.045 178.188 176.094 0.081 0.000 1.049 984 V CA 2.174 64.481 62.300 0.012 0.000 1.024 984 V CB -0.546 31.249 31.823 -0.046 0.000 0.648 984 V HN 0.260 nan 8.190 nan 0.000 0.447 985 D N -0.148 120.274 120.400 0.037 0.000 2.117 985 D HA -0.200 4.440 4.640 -0.000 0.000 0.197 985 D C 2.137 178.466 176.300 0.049 0.000 0.987 985 D CA 1.478 55.501 54.000 0.038 0.000 0.829 985 D CB -0.187 40.622 40.800 0.016 0.000 0.961 985 D HN 0.439 nan 8.370 nan 0.000 0.460 986 K N -0.008 120.425 120.400 0.055 0.000 2.026 986 K HA -0.167 4.153 4.320 -0.000 0.000 0.208 986 K C 2.185 178.825 176.600 0.066 0.000 1.048 986 K CA 0.748 57.063 56.287 0.047 0.000 0.929 986 K CB -0.317 32.211 32.500 0.046 0.000 0.713 986 K HN 0.029 nan 8.250 nan 0.000 0.439 987 F N 2.395 122.330 119.950 -0.025 0.000 2.126 987 F HA -0.232 4.295 4.527 -0.000 0.000 0.299 987 F C 1.729 177.515 175.800 -0.023 0.000 1.096 987 F CA 1.727 59.714 58.000 -0.022 0.000 1.255 987 F CB -0.265 38.720 39.000 -0.024 0.000 0.997 987 F HN 0.155 nan 8.300 nan 0.000 0.479 988 N N 0.654 119.420 118.700 0.112 0.000 2.309 988 N HA -0.136 4.604 4.740 -0.000 0.000 0.182 988 N C 1.634 177.077 175.510 -0.111 0.000 1.018 988 N CA 1.196 54.243 53.050 -0.003 0.000 0.876 988 N CB -0.326 38.198 38.487 0.062 0.000 0.972 988 N HN 0.432 nan 8.380 nan 0.000 0.434 989 K N 0.808 121.158 120.400 -0.084 0.000 2.155 989 K HA -0.004 4.316 4.320 -0.000 0.000 0.203 989 K C 1.194 177.719 176.600 -0.124 0.000 1.052 989 K CA 0.805 57.038 56.287 -0.090 0.000 0.948 989 K CB 0.092 32.562 32.500 -0.050 0.000 0.728 989 K HN 0.359 nan 8.250 nan 0.000 0.448 990 E N 0.318 120.415 120.200 -0.172 0.000 2.474 990 E HA 0.055 4.405 4.350 -0.000 0.000 0.194 990 E C -0.053 176.390 176.600 -0.262 0.000 1.041 990 E CA 0.068 56.358 56.400 -0.183 0.000 0.874 990 E CB 0.276 29.878 29.700 -0.163 0.000 0.914 990 E HN 0.193 nan 8.360 nan 0.000 0.498 991 N N 0.316 118.787 118.700 -0.382 0.000 2.354 991 N HA 0.089 4.829 4.740 -0.000 0.000 0.287 991 N C -0.460 174.874 175.510 -0.292 0.000 1.016 991 N CA -0.214 52.605 53.050 -0.386 0.000 0.871 991 N CB 2.058 40.108 38.487 -0.728 0.000 1.299 991 N HN -0.012 nan 8.380 nan 0.000 0.482 992 C N 1.790 120.917 119.300 -0.288 0.000 2.518 992 C HA 0.205 4.665 4.460 -0.000 0.000 0.283 992 C C 1.080 175.687 174.990 -0.637 0.000 1.351 992 C CA -0.077 58.619 59.018 -0.536 0.000 1.745 992 C CB -0.610 26.708 27.740 -0.704 0.000 2.107 992 C HN 0.865 nan 8.230 nan 0.000 0.502 993 W N 1.504 122.791 121.300 -0.021 0.000 3.123 993 W HA 0.431 5.091 4.660 0.000 0.000 0.383 993 W C 0.497 177.068 176.519 0.086 0.000 1.102 993 W CA -0.312 57.071 57.345 0.063 0.000 1.865 993 W CB 0.176 29.664 29.460 0.047 0.000 1.111 993 W HN 0.051 nan 8.180 nan 0.000 0.621 994 K N 1.128 121.647 120.400 0.198 0.000 2.498 994 K HA 0.435 4.755 4.320 -0.000 0.000 0.254 994 K C -0.400 176.359 176.600 0.265 0.000 0.933 994 K CA -0.896 55.545 56.287 0.257 0.000 0.806 994 K CB 2.390 35.083 32.500 0.321 0.000 1.301 994 K HN -0.420 nan 8.250 nan 0.000 0.432 995 K N 2.152 122.739 120.400 0.312 0.000 2.508 995 K HA 0.478 4.798 4.320 -0.000 0.000 0.260 995 K C -0.793 175.953 176.600 0.242 0.000 0.949 995 K CA -0.823 55.645 56.287 0.301 0.000 0.834 995 K CB 2.470 35.052 32.500 0.136 0.000 1.365 995 K HN 0.532 nan 8.250 nan 0.000 0.437 996 R N -0.226 120.394 120.500 0.200 0.000 2.732 996 R HA 0.719 5.059 4.340 -0.000 0.000 0.278 996 R C -0.008 176.304 176.300 0.021 0.000 0.976 996 R CA -0.878 55.222 56.100 0.001 0.000 0.963 996 R CB 1.920 32.098 30.300 -0.204 0.000 1.150 996 R HN 0.765 nan 8.270 nan 0.000 0.478 997 G N 1.059 109.854 108.800 -0.008 0.000 2.612 997 G HA2 0.614 4.574 3.960 -0.000 0.000 0.298 997 G HA3 0.614 4.574 3.960 -0.000 0.000 0.298 997 G C -2.044 172.854 174.900 -0.003 0.000 1.336 997 G CA -0.390 44.714 45.100 0.006 0.000 0.953 997 G HN 0.342 nan 8.290 nan 0.000 0.482 998 L N 0.363 121.593 121.223 0.012 0.000 2.445 998 L HA 0.879 5.219 4.340 -0.000 0.000 0.262 998 L C -1.079 175.853 176.870 0.104 0.000 0.974 998 L CA -0.650 54.202 54.840 0.020 0.000 0.822 998 L CB 2.051 44.061 42.059 -0.082 0.000 1.339 998 L HN 0.864 nan 8.230 nan 0.000 0.409 999 C N 5.213 124.606 119.300 0.156 0.000 3.113 999 C HA 0.633 5.093 4.460 -0.000 0.000 0.376 999 C C -1.457 173.618 174.990 0.142 0.000 1.077 999 C CA -0.820 58.308 59.018 0.185 0.000 1.253 999 C CB 0.678 28.527 27.740 0.183 0.000 1.637 999 C HN 0.928 nan 8.230 nan 0.000 0.535 1000 I N 7.230 127.833 120.570 0.056 0.000 2.436 1000 I HA 0.770 4.940 4.170 -0.000 0.000 0.289 1000 I C -0.682 175.480 176.117 0.076 0.000 1.010 1000 I CA -0.701 60.541 61.300 -0.096 0.000 1.098 1000 I CB 1.179 38.829 38.000 -0.584 0.000 1.266 1000 I HN 0.770 nan 8.210 nan 0.000 0.434 1001 I N 6.796 127.462 120.570 0.161 0.000 2.730 1001 I HA 0.778 4.948 4.170 -0.000 0.000 0.298 1001 I C -2.980 173.344 176.117 0.345 0.000 1.089 1001 I CA -1.972 59.498 61.300 0.282 0.000 1.041 1001 I CB 2.398 40.478 38.000 0.132 0.000 1.235 1001 I HN 0.256 nan 8.210 nan 0.000 0.423 1002 P HA 0.539 nan 4.420 nan 0.000 0.288 1002 P C -0.961 176.507 177.300 0.279 0.000 1.297 1002 P CA -0.458 62.822 63.100 0.299 0.000 0.864 1002 P CB 2.477 34.282 31.700 0.176 0.000 1.237 1003 T N -1.428 113.287 114.554 0.268 0.000 2.886 1003 T HA 0.505 4.855 4.350 -0.000 0.000 0.330 1003 T C -1.871 173.018 174.700 0.314 0.000 1.488 1003 T CA -0.700 61.586 62.100 0.311 0.000 1.054 1003 T CB 0.985 70.125 68.868 0.454 0.000 1.348 1003 T HN 0.708 nan 8.240 nan 0.000 0.489 1004 K N 2.237 122.822 120.400 0.309 0.000 2.464 1004 K HA 0.767 5.087 4.320 -0.000 0.000 0.253 1004 K C -2.057 174.755 176.600 0.354 0.000 0.933 1004 K CA -0.902 55.556 56.287 0.285 0.000 0.801 1004 K CB 2.045 34.748 32.500 0.338 0.000 1.271 1004 K HN 0.422 nan 8.250 nan 0.000 0.430 1005 F N 1.516 121.513 119.950 0.078 0.000 2.562 1005 F HA 0.453 4.980 4.527 -0.000 0.000 0.319 1005 F C -0.077 175.634 175.800 -0.149 0.000 1.154 1005 F CA -0.248 57.799 58.000 0.079 0.000 0.931 1005 F CB 1.990 40.971 39.000 -0.032 0.000 1.198 1005 F HN 0.826 nan 8.300 nan 0.000 0.444 1006 G N 6.270 114.600 108.800 -0.783 0.000 2.398 1006 G HA2 0.387 4.347 3.960 -0.000 0.000 0.246 1006 G HA3 0.387 4.347 3.960 -0.000 0.000 0.246 1006 G C -0.702 173.489 174.900 -1.182 0.000 1.289 1006 G CA -0.398 43.554 45.100 -1.913 0.000 0.869 1006 G HN 0.484 nan 8.290 nan 0.000 0.543 1007 I N 2.079 122.137 120.570 -0.853 0.000 2.330 1007 I HA 0.519 4.689 4.170 -0.000 0.000 0.289 1007 I C 0.394 176.317 176.117 -0.323 0.000 1.001 1007 I CA -0.236 60.730 61.300 -0.556 0.000 1.193 1007 I CB -0.052 37.376 38.000 -0.954 0.000 1.345 1007 I HN 0.872 nan 8.210 nan 0.000 0.461 1008 S N 4.912 120.471 115.700 -0.235 0.000 2.539 1008 S HA 0.117 4.587 4.470 -0.000 0.000 0.280 1008 S C -1.055 173.406 174.600 -0.232 0.000 0.679 1008 S CA -0.957 57.116 58.200 -0.212 0.000 1.358 1008 S CB -0.700 62.420 63.200 -0.134 0.000 1.669 1008 S HN 0.183 nan 8.310 nan 0.000 0.458 1009 F N 2.069 121.914 119.950 -0.176 0.000 2.443 1009 F HA 0.438 4.965 4.527 -0.000 0.000 0.353 1009 F C 2.357 178.032 175.800 -0.208 0.000 1.101 1009 F CA 0.455 58.336 58.000 -0.198 0.000 1.226 1009 F CB 1.367 40.218 39.000 -0.250 0.000 1.140 1009 F HN 0.922 nan 8.300 nan 0.000 0.557 1010 T N -1.301 113.257 114.554 0.008 0.000 3.035 1010 T HA -0.024 4.326 4.350 -0.000 0.000 0.268 1010 T C 0.464 175.170 174.700 0.010 0.000 1.109 1010 T CA 0.511 62.554 62.100 -0.095 0.000 1.119 1010 T CB -0.789 68.099 68.868 0.033 0.000 0.900 1010 T HN 0.316 nan 8.240 nan 0.000 0.503 1011 V N -0.207 119.721 119.914 0.022 0.000 2.368 1011 V HA 0.394 4.514 4.120 -0.000 0.000 0.266 1011 V C -1.632 174.378 176.094 -0.141 0.000 1.045 1011 V CA -2.243 60.040 62.300 -0.029 0.000 0.899 1011 V CB 0.940 32.682 31.823 -0.137 0.000 1.006 1011 V HN -0.047 nan 8.190 nan 0.000 0.470 1012 P HA -0.219 nan 4.420 nan 0.000 0.216 1012 P C 1.551 178.814 177.300 -0.061 0.000 1.157 1012 P CA 1.993 65.069 63.100 -0.039 0.000 0.880 1012 P CB -0.116 31.599 31.700 0.024 0.000 0.791 1013 F N -1.170 118.741 119.950 -0.065 0.000 2.307 1013 F HA -0.090 4.437 4.527 -0.000 0.000 0.301 1013 F C 1.582 177.293 175.800 -0.148 0.000 1.076 1013 F CA 1.084 59.032 58.000 -0.087 0.000 1.383 1013 F CB -1.610 37.348 39.000 -0.070 0.000 1.055 1013 F HN -0.170 nan 8.300 nan 0.000 0.526 1014 L N 0.700 121.427 121.223 -0.827 0.000 2.478 1014 L HA -0.004 4.336 4.340 -0.000 0.000 0.223 1014 L C 0.667 177.224 176.870 -0.523 0.000 1.140 1014 L CA 0.292 54.609 54.840 -0.873 0.000 0.842 1014 L CB -0.700 40.444 42.059 -1.524 0.000 0.953 1014 L HN 0.160 nan 8.230 nan 0.000 0.452 1015 N N 2.506 121.057 118.700 -0.249 0.000 3.303 1015 N HA 0.056 4.796 4.740 -0.000 0.000 0.304 1015 N C -0.453 174.920 175.510 -0.228 0.000 1.302 1015 N CA 0.157 53.136 53.050 -0.120 0.000 1.213 1015 N CB 0.274 38.701 38.487 -0.100 0.000 1.481 1015 N HN 0.520 nan 8.380 nan 0.000 0.546 1016 Q N -0.874 118.778 119.800 -0.247 0.000 2.379 1016 Q HA 0.820 5.160 4.340 -0.000 0.000 0.278 1016 Q C -1.804 173.948 176.000 -0.414 0.000 1.068 1016 Q CA -1.254 54.326 55.803 -0.372 0.000 0.816 1016 Q CB 2.272 30.941 28.738 -0.115 0.000 1.387 1016 Q HN 0.079 nan 8.270 nan 0.000 0.413 1017 A N 0.821 123.237 122.820 -0.673 0.000 2.520 1017 A HA 0.917 5.237 4.320 -0.000 0.000 0.298 1017 A C -0.836 176.586 177.584 -0.269 0.000 1.051 1017 A CA -0.165 51.605 52.037 -0.445 0.000 0.690 1017 A CB 1.975 20.521 19.000 -0.758 0.000 1.281 1017 A HN 0.922 nan 8.150 nan 0.000 0.402 1018 G N -0.486 108.448 108.800 0.225 0.000 2.498 1018 G HA2 0.901 4.861 3.960 -0.000 0.000 0.312 1018 G HA3 0.901 4.861 3.960 -0.000 0.000 0.312 1018 G C -0.590 174.514 174.900 0.340 0.000 1.230 1018 G CA -0.054 45.267 45.100 0.367 0.000 0.968 1018 G HN 1.931 nan 8.290 nan 0.000 0.481 1019 A N -0.298 122.676 122.820 0.258 0.000 2.587 1019 A HA 0.801 5.121 4.320 -0.000 0.000 0.293 1019 A C -1.916 175.729 177.584 0.102 0.000 1.087 1019 A CA -0.594 51.558 52.037 0.191 0.000 0.692 1019 A CB 2.124 21.232 19.000 0.180 0.000 1.291 1019 A HN 1.551 nan 8.150 nan 0.000 0.407 1020 L N 1.512 122.749 121.223 0.023 0.000 2.439 1020 L HA 0.783 5.123 4.340 -0.000 0.000 0.270 1020 L C -1.578 175.165 176.870 -0.212 0.000 0.972 1020 L CA -0.130 54.658 54.840 -0.085 0.000 0.836 1020 L CB 1.285 43.282 42.059 -0.103 0.000 1.255 1020 L HN 0.621 nan 8.230 nan 0.000 0.404 1021 I N 4.632 125.062 120.570 -0.233 0.000 2.545 1021 I HA 0.463 4.633 4.170 -0.000 0.000 0.292 1021 I C -0.968 174.985 176.117 -0.274 0.000 1.040 1021 I CA -0.756 60.407 61.300 -0.228 0.000 1.068 1021 I CB 1.770 39.740 38.000 -0.049 0.000 1.251 1021 I HN 0.551 nan 8.210 nan 0.000 0.424 1022 H N 5.072 124.103 119.070 -0.065 0.000 2.538 1022 H HA 0.512 5.068 4.556 -0.000 0.000 0.353 1022 H C -0.949 174.223 175.328 -0.259 0.000 1.109 1022 H CA -0.776 55.137 56.048 -0.226 0.000 1.192 1022 H CB 2.591 32.090 29.762 -0.439 0.000 1.555 1022 H HN 0.153 nan 8.280 nan 0.000 0.518 1023 V N 4.429 124.270 119.914 -0.122 0.000 2.378 1023 V HA 0.186 4.306 4.120 -0.000 0.000 0.288 1023 V C -0.339 175.635 176.094 -0.200 0.000 1.016 1023 V CA -0.765 61.509 62.300 -0.042 0.000 0.840 1023 V CB 0.145 32.011 31.823 0.070 0.000 0.994 1023 V HN 0.583 nan 8.190 nan 0.000 0.431 1024 Y N 2.010 122.353 120.300 0.070 0.000 2.281 1024 Y HA 0.164 4.714 4.550 -0.000 0.000 0.337 1024 Y C 2.201 178.056 175.900 -0.075 0.000 1.304 1024 Y CA 0.362 58.450 58.100 -0.019 0.000 1.465 1024 Y CB 0.716 39.166 38.460 -0.015 0.000 1.350 1024 Y HN 0.753 nan 8.280 nan 0.000 0.575 1025 T N -3.202 111.350 114.554 -0.003 0.000 3.025 1025 T HA -0.171 4.179 4.350 -0.000 0.000 0.270 1025 T C 0.783 175.446 174.700 -0.060 0.000 1.126 1025 T CA 1.288 63.307 62.100 -0.134 0.000 1.105 1025 T CB -0.366 68.302 68.868 -0.334 0.000 0.884 1025 T HN 0.745 nan 8.240 nan 0.000 0.522 1026 D N 0.490 120.899 120.400 0.015 0.000 2.339 1026 D HA 0.224 4.864 4.640 -0.000 0.000 0.217 1026 D C 1.651 177.999 176.300 0.080 0.000 1.050 1026 D CA 0.493 54.508 54.000 0.024 0.000 0.856 1026 D CB -0.597 40.217 40.800 0.023 0.000 0.922 1026 D HN 0.556 nan 8.370 nan 0.000 0.518 1027 G N 0.572 109.436 108.800 0.108 0.000 2.195 1027 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.246 1027 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.246 1027 G C 0.391 175.550 174.900 0.432 0.000 0.984 1027 G CA 0.382 45.633 45.100 0.251 0.000 0.633 1027 G HN 0.819 nan 8.290 nan 0.000 0.525 1028 S N -0.388 115.485 115.700 0.289 0.000 2.564 1028 S HA 0.650 5.120 4.470 -0.000 0.000 0.278 1028 S C 0.108 174.911 174.600 0.338 0.000 1.333 1028 S CA -0.047 58.316 58.200 0.272 0.000 1.048 1028 S CB 2.361 65.674 63.200 0.188 0.000 0.900 1028 S HN 1.099 nan 8.310 nan 0.000 0.505 1029 V N 3.537 123.619 119.914 0.281 0.000 2.459 1029 V HA 0.527 4.647 4.120 -0.000 0.000 0.295 1029 V C -0.449 175.798 176.094 0.254 0.000 1.029 1029 V CA -0.853 61.597 62.300 0.250 0.000 0.874 1029 V CB 1.273 33.210 31.823 0.191 0.000 0.985 1029 V HN 0.884 nan 8.190 nan 0.000 0.438 1030 L N 6.292 127.668 121.223 0.255 0.000 2.298 1030 L HA 0.694 5.034 4.340 -0.000 0.000 0.284 1030 L C -0.535 176.392 176.870 0.094 0.000 1.013 1030 L CA 0.083 55.079 54.840 0.259 0.000 0.824 1030 L CB 1.600 43.927 42.059 0.448 0.000 1.221 1030 L HN 0.452 nan 8.230 nan 0.000 0.418 1031 V N 3.880 123.823 119.914 0.049 0.000 2.483 1031 V HA 0.719 4.839 4.120 -0.000 0.000 0.295 1031 V C -0.062 176.011 176.094 -0.034 0.000 1.035 1031 V CA -0.386 61.913 62.300 -0.001 0.000 0.896 1031 V CB 1.727 33.569 31.823 0.032 0.000 0.986 1031 V HN 0.842 nan 8.190 nan 0.000 0.447 1032 S N 3.083 118.759 115.700 -0.040 0.000 2.547 1032 S HA 0.812 5.282 4.470 -0.000 0.000 0.281 1032 S C -1.051 173.550 174.600 0.002 0.000 1.118 1032 S CA -0.581 57.566 58.200 -0.087 0.000 0.947 1032 S CB 1.058 64.202 63.200 -0.093 0.000 1.053 1032 S HN 1.110 nan 8.310 nan 0.000 0.482 1033 H N 0.148 119.169 119.070 -0.082 0.000 2.990 1033 H HA 0.648 5.204 4.556 -0.000 0.000 0.343 1033 H C 0.990 176.198 175.328 -0.201 0.000 1.270 1033 H CA -0.502 55.501 56.048 -0.074 0.000 1.118 1033 H CB 0.638 30.363 29.762 -0.063 0.000 1.861 1033 H HN 0.562 nan 8.280 nan 0.000 0.544 1034 G N -0.184 108.534 108.800 -0.137 0.000 2.509 1034 G HA2 0.129 4.089 3.960 -0.000 0.000 0.218 1034 G HA3 0.129 4.089 3.960 -0.000 0.000 0.218 1034 G C 0.720 175.278 174.900 -0.570 0.000 1.124 1034 G CA 0.211 45.188 45.100 -0.204 0.000 0.776 1034 G HN 0.873 nan 8.290 nan 0.000 0.547 1035 G N -0.142 107.974 108.800 -1.141 0.000 2.503 1035 G HA2 0.453 4.413 3.960 -0.000 0.000 0.257 1035 G HA3 0.453 4.413 3.960 -0.000 0.000 0.257 1035 G C 0.086 174.803 174.900 -0.305 0.000 1.214 1035 G CA 0.423 45.146 45.100 -0.628 0.000 0.839 1035 G HN 0.398 nan 8.290 nan 0.000 0.559 1036 T N -1.565 112.877 114.554 -0.187 0.000 2.918 1036 T HA 0.575 4.925 4.350 -0.000 0.000 0.286 1036 T C -0.529 174.007 174.700 -0.272 0.000 1.026 1036 T CA -0.834 61.157 62.100 -0.181 0.000 1.031 1036 T CB 2.322 71.118 68.868 -0.121 0.000 1.046 1036 T HN 0.454 nan 8.240 nan 0.000 0.479 1037 E N 1.966 121.977 120.200 -0.314 0.000 2.146 1037 E HA 0.438 4.788 4.350 -0.000 0.000 0.282 1037 E C 0.290 176.808 176.600 -0.136 0.000 0.989 1037 E CA -0.718 55.498 56.400 -0.307 0.000 0.799 1037 E CB 0.802 30.320 29.700 -0.303 0.000 1.088 1037 E HN 0.776 nan 8.360 nan 0.000 0.397 1038 M N 2.456 121.980 119.600 -0.126 0.000 2.504 1038 M HA 0.501 4.981 4.480 -0.000 0.000 0.370 1038 M C 0.785 177.018 176.300 -0.112 0.000 1.110 1038 M CA 0.104 55.320 55.300 -0.140 0.000 0.938 1038 M CB 0.813 33.270 32.600 -0.237 0.000 1.460 1038 M HN 0.583 nan 8.290 nan 0.000 0.535 1039 G N 1.660 110.458 108.800 -0.004 0.000 2.231 1039 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.206 1039 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.206 1039 G C 0.830 175.788 174.900 0.096 0.000 0.996 1039 G CA 0.347 45.473 45.100 0.045 0.000 0.645 1039 G HN 0.606 nan 8.290 nan 0.000 0.498 1040 Q N 1.637 121.454 119.800 0.029 0.000 2.482 1040 Q HA 0.310 4.650 4.340 -0.000 0.000 0.209 1040 Q C 1.574 177.591 176.000 0.027 0.000 0.961 1040 Q CA 1.404 57.221 55.803 0.022 0.000 0.945 1040 Q CB -0.443 28.276 28.738 -0.031 0.000 1.012 1040 Q HN 1.967 nan 8.270 nan 0.000 0.515 1041 G N 1.838 110.661 108.800 0.039 0.000 2.198 1041 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.257 1041 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.257 1041 G C 0.319 175.111 174.900 -0.180 0.000 1.042 1041 G CA 0.419 45.414 45.100 -0.175 0.000 0.791 1041 G HN 0.416 nan 8.290 nan 0.000 0.502 1042 L N -0.089 121.029 121.223 -0.174 0.000 2.027 1042 L HA 0.061 4.401 4.340 -0.000 0.000 0.206 1042 L C 2.558 179.367 176.870 -0.101 0.000 1.074 1042 L CA 2.796 57.546 54.840 -0.150 0.000 0.745 1042 L CB -0.483 41.472 42.059 -0.173 0.000 0.898 1042 L HN 0.403 nan 8.230 nan 0.000 0.433 1043 H N -0.872 118.158 119.070 -0.066 0.000 2.353 1043 H HA -0.088 4.468 4.556 -0.000 0.000 0.300 1043 H C 2.156 177.414 175.328 -0.117 0.000 1.090 1043 H CA 1.807 57.826 56.048 -0.048 0.000 1.327 1043 H CB -0.957 28.761 29.762 -0.073 0.000 1.383 1043 H HN 0.359 nan 8.280 nan 0.000 0.508 1044 T N 1.221 115.725 114.554 -0.083 0.000 2.684 1044 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 1044 T C 2.035 176.699 174.700 -0.060 0.000 1.036 1044 T CA 1.507 63.539 62.100 -0.114 0.000 1.148 1044 T CB -0.006 68.727 68.868 -0.225 0.000 0.863 1044 T HN 0.359 nan 8.240 nan 0.000 0.436 1045 K N 0.284 120.645 120.400 -0.065 0.000 2.097 1045 K HA 0.029 4.349 4.320 -0.000 0.000 0.206 1045 K C 2.348 178.937 176.600 -0.020 0.000 1.049 1045 K CA 0.984 57.248 56.287 -0.038 0.000 0.933 1045 K CB -0.122 32.352 32.500 -0.043 0.000 0.717 1045 K HN 0.235 nan 8.250 nan 0.000 0.442 1046 M N 0.328 119.906 119.600 -0.037 0.000 2.175 1046 M HA -0.101 4.379 4.480 -0.000 0.000 0.264 1046 M C 2.223 178.523 176.300 -0.000 0.000 1.063 1046 M CA 1.205 56.476 55.300 -0.047 0.000 1.119 1046 M CB -0.577 31.940 32.600 -0.139 0.000 1.377 1046 M HN -0.067 nan 8.290 nan 0.000 0.415 1047 V N 0.249 120.165 119.914 0.003 0.000 2.358 1047 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 1047 V C 2.386 178.487 176.094 0.011 0.000 1.047 1047 V CA 1.481 63.784 62.300 0.006 0.000 1.035 1047 V CB -0.690 31.132 31.823 -0.002 0.000 0.658 1047 V HN 0.506 nan 8.190 nan 0.000 0.452 1048 Q N -0.637 119.169 119.800 0.009 0.000 2.084 1048 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 1048 Q C 2.356 178.382 176.000 0.044 0.000 0.978 1048 Q CA 1.827 57.637 55.803 0.011 0.000 0.844 1048 Q CB -0.267 28.472 28.738 0.001 0.000 0.898 1048 Q HN 0.537 nan 8.270 nan 0.000 0.426 1049 V N 0.748 120.717 119.914 0.092 0.000 2.307 1049 V HA -0.272 3.848 4.120 -0.000 0.000 0.245 1049 V C 2.251 178.458 176.094 0.189 0.000 1.045 1049 V CA 1.850 64.280 62.300 0.217 0.000 1.024 1049 V CB -0.950 30.979 31.823 0.178 0.000 0.651 1049 V HN 0.406 nan 8.190 nan 0.000 0.449 1050 A N -0.537 122.341 122.820 0.096 0.000 1.933 1050 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 1050 A C 2.575 180.172 177.584 0.021 0.000 1.175 1050 A CA 2.311 54.384 52.037 0.060 0.000 0.628 1050 A CB -0.800 18.219 19.000 0.032 0.000 0.814 1050 A HN 0.519 nan 8.150 nan 0.000 0.444 1051 S N -0.406 115.294 115.700 0.001 0.000 2.356 1051 S HA -0.225 4.245 4.470 -0.000 0.000 0.223 1051 S C 2.133 176.712 174.600 -0.036 0.000 1.032 1051 S CA 1.963 60.134 58.200 -0.048 0.000 1.005 1051 S CB -0.329 62.845 63.200 -0.043 0.000 0.867 1051 S HN 0.623 nan 8.310 nan 0.000 0.449 1052 K N 0.559 120.959 120.400 -0.000 0.000 2.026 1052 K HA -0.018 4.302 4.320 -0.000 0.000 0.208 1052 K C 2.261 178.898 176.600 0.062 0.000 1.048 1052 K CA 1.251 57.527 56.287 -0.018 0.000 0.929 1052 K CB -0.645 31.776 32.500 -0.132 0.000 0.713 1052 K HN 0.402 nan 8.250 nan 0.000 0.439 1053 A N 1.192 124.112 122.820 0.167 0.000 1.908 1053 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 1053 A C 2.064 179.681 177.584 0.054 0.000 1.181 1053 A CA 1.450 53.591 52.037 0.174 0.000 0.627 1053 A CB -0.560 18.536 19.000 0.160 0.000 0.818 1053 A HN 0.360 nan 8.150 nan 0.000 0.445 1054 L N -2.052 119.173 121.223 0.003 0.000 2.418 1054 L HA 0.053 4.393 4.340 -0.000 0.000 0.218 1054 L C 0.352 177.180 176.870 -0.071 0.000 1.125 1054 L CA 0.457 55.271 54.840 -0.043 0.000 0.835 1054 L CB -0.160 41.797 42.059 -0.169 0.000 0.953 1054 L HN 0.346 nan 8.230 nan 0.000 0.454 1055 K N 1.248 121.613 120.400 -0.059 0.000 3.181 1055 K HA -0.167 4.153 4.320 -0.000 0.000 0.269 1055 K C -0.471 176.056 176.600 -0.122 0.000 1.097 1055 K CA 0.567 56.830 56.287 -0.041 0.000 0.783 1055 K CB -1.706 30.822 32.500 0.048 0.000 1.267 1055 K HN 0.506 nan 8.250 nan 0.000 0.484 1056 I N -4.607 115.824 120.570 -0.232 0.000 3.074 1056 I HA 0.656 4.826 4.170 -0.000 0.000 0.310 1056 I C -2.775 173.221 176.117 -0.202 0.000 1.153 1056 I CA -3.228 57.880 61.300 -0.320 0.000 0.993 1056 I CB 2.383 39.948 38.000 -0.726 0.000 1.237 1056 I HN -0.294 nan 8.210 nan 0.000 0.443 1057 P HA 0.226 nan 4.420 nan 0.000 0.272 1057 P C 1.018 178.270 177.300 -0.080 0.000 1.223 1057 P CA -0.333 62.713 63.100 -0.089 0.000 0.784 1057 P CB 0.596 32.259 31.700 -0.061 0.000 0.923 1058 I N -0.276 120.270 120.570 -0.040 0.000 2.493 1058 I HA -0.198 3.972 4.170 -0.000 0.000 0.254 1058 I C 1.629 177.751 176.117 0.008 0.000 1.160 1058 I CA 1.741 63.031 61.300 -0.016 0.000 1.445 1058 I CB -1.049 36.952 38.000 0.002 0.000 1.086 1058 I HN 0.233 nan 8.210 nan 0.000 0.433 1059 S N 1.418 117.121 115.700 0.005 0.000 2.465 1059 S HA -0.131 4.339 4.470 -0.000 0.000 0.241 1059 S C 1.732 176.348 174.600 0.027 0.000 1.000 1059 S CA 0.924 59.138 58.200 0.023 0.000 0.964 1059 S CB -0.547 62.660 63.200 0.012 0.000 0.763 1059 S HN 0.619 nan 8.310 nan 0.000 0.512 1060 K N 0.259 120.659 120.400 0.001 0.000 2.374 1060 K HA 0.398 4.718 4.320 -0.000 0.000 0.196 1060 K C -0.180 176.456 176.600 0.060 0.000 1.023 1060 K CA 0.075 56.373 56.287 0.018 0.000 1.103 1060 K CB 0.185 32.655 32.500 -0.050 0.000 0.848 1060 K HN 0.453 nan 8.250 nan 0.000 0.528 1061 I N 0.269 120.879 120.570 0.067 0.000 2.530 1061 I HA 0.296 4.466 4.170 -0.000 0.000 0.297 1061 I C -1.118 175.113 176.117 0.189 0.000 1.011 1061 I CA -1.272 60.090 61.300 0.103 0.000 1.107 1061 I CB 1.450 39.474 38.000 0.040 0.000 1.285 1061 I HN -0.117 nan 8.210 nan 0.000 0.436 1062 Y N 5.853 126.173 120.300 0.033 0.000 2.544 1062 Y HA 0.635 5.185 4.550 -0.000 0.000 0.342 1062 Y C -1.462 174.434 175.900 -0.006 0.000 1.062 1062 Y CA -0.884 57.226 58.100 0.016 0.000 1.023 1062 Y CB 1.763 40.239 38.460 0.027 0.000 1.308 1062 Y HN 0.327 nan 8.280 nan 0.000 0.457 1063 I N 4.435 124.573 120.570 -0.719 0.000 2.439 1063 I HA 0.219 4.389 4.170 -0.000 0.000 0.285 1063 I C 0.263 175.841 176.117 -0.898 0.000 1.021 1063 I CA -0.292 60.643 61.300 -0.608 0.000 1.091 1063 I CB 2.105 39.778 38.000 -0.544 0.000 1.242 1063 I HN 0.723 nan 8.210 nan 0.000 0.439 1064 S N 5.294 120.695 115.700 -0.498 0.000 2.387 1064 S HA 0.122 4.592 4.470 -0.000 0.000 0.221 1064 S C 0.439 174.909 174.600 -0.217 0.000 1.041 1064 S CA 0.847 58.896 58.200 -0.251 0.000 0.959 1064 S CB 0.295 63.549 63.200 0.089 0.000 0.843 1064 S HN 0.823 nan 8.310 nan 0.000 0.488 1065 E N -1.349 118.715 120.200 -0.226 0.000 2.402 1065 E HA 0.362 4.712 4.350 -0.000 0.000 0.270 1065 E C -1.688 174.794 176.600 -0.196 0.000 1.131 1065 E CA -0.989 55.313 56.400 -0.162 0.000 0.884 1065 E CB 0.735 30.406 29.700 -0.049 0.000 1.564 1065 E HN -0.004 nan 8.360 nan 0.000 0.456 1066 T N 1.153 115.629 114.554 -0.131 0.000 2.792 1066 T HA 0.628 4.978 4.350 -0.000 0.000 0.280 1066 T C -0.936 173.698 174.700 -0.110 0.000 0.990 1066 T CA -0.549 61.454 62.100 -0.162 0.000 0.960 1066 T CB 1.152 69.926 68.868 -0.157 0.000 0.939 1066 T HN 0.580 nan 8.240 nan 0.000 0.439 1067 S N 0.352 115.991 115.700 -0.102 0.000 2.536 1067 S HA 0.418 4.888 4.470 -0.000 0.000 0.271 1067 S C 1.066 175.629 174.600 -0.062 0.000 1.134 1067 S CA -0.695 57.456 58.200 -0.080 0.000 0.897 1067 S CB 1.411 64.573 63.200 -0.063 0.000 1.094 1067 S HN 0.702 nan 8.310 nan 0.000 0.473 1068 T N -0.864 113.653 114.554 -0.062 0.000 3.007 1068 T HA -0.102 4.248 4.350 -0.000 0.000 0.270 1068 T C 1.171 175.856 174.700 -0.025 0.000 1.107 1068 T CA 1.290 63.365 62.100 -0.042 0.000 1.118 1068 T CB -0.758 68.080 68.868 -0.049 0.000 0.889 1068 T HN 0.753 nan 8.240 nan 0.000 0.506 1069 N N 1.507 120.192 118.700 -0.025 0.000 2.336 1069 N HA -0.007 4.733 4.740 -0.000 0.000 0.189 1069 N C 1.290 176.809 175.510 0.014 0.000 1.113 1069 N CA 0.869 53.915 53.050 -0.007 0.000 0.858 1069 N CB -0.279 38.202 38.487 -0.009 0.000 0.970 1069 N HN 0.655 nan 8.380 nan 0.000 0.471 1070 T N -3.208 111.352 114.554 0.010 0.000 3.085 1070 T HA 0.278 4.628 4.350 -0.000 0.000 0.241 1070 T C 0.432 175.147 174.700 0.025 0.000 0.988 1070 T CA 0.037 62.153 62.100 0.026 0.000 1.117 1070 T CB -0.020 68.856 68.868 0.013 0.000 0.978 1070 T HN -0.101 nan 8.240 nan 0.000 0.454 1071 V N 4.723 124.646 119.914 0.015 0.000 2.447 1071 V HA 0.510 4.630 4.120 -0.000 0.000 0.292 1071 V C -2.547 173.574 176.094 0.044 0.000 1.021 1071 V CA -1.952 60.377 62.300 0.048 0.000 0.850 1071 V CB 1.926 33.788 31.823 0.064 0.000 1.005 1071 V HN 0.357 nan 8.190 nan 0.000 0.426 1072 P HA 0.350 nan 4.420 nan 0.000 0.280 1072 P C -0.298 177.039 177.300 0.062 0.000 1.272 1072 P CA -0.373 62.749 63.100 0.037 0.000 0.819 1072 P CB 0.672 32.385 31.700 0.021 0.000 1.122 1073 N N -1.680 117.044 118.700 0.039 0.000 2.716 1073 N HA -0.140 4.600 4.740 -0.000 0.000 0.250 1073 N C -0.050 175.509 175.510 0.082 0.000 1.033 1073 N CA 1.001 54.081 53.050 0.049 0.000 0.727 1073 N CB -2.180 36.337 38.487 0.051 0.000 0.950 1073 N HN 0.612 nan 8.380 nan 0.000 0.541 1074 S N -1.856 113.889 115.700 0.075 0.000 2.584 1074 S HA 0.518 4.988 4.470 -0.000 0.000 0.273 1074 S C 0.620 175.254 174.600 0.057 0.000 1.311 1074 S CA -0.681 57.586 58.200 0.113 0.000 1.034 1074 S CB 1.909 65.184 63.200 0.124 0.000 0.939 1074 S HN 0.189 nan 8.310 nan 0.000 0.513 1075 S N 3.629 119.355 115.700 0.044 0.000 2.603 1075 S HA 0.409 4.879 4.470 -0.000 0.000 0.268 1075 S C -2.089 172.524 174.600 0.020 0.000 1.317 1075 S CA -0.919 57.227 58.200 -0.091 0.000 1.012 1075 S CB 0.030 63.043 63.200 -0.313 0.000 0.926 1075 S HN 0.748 nan 8.310 nan 0.000 0.539 1076 P HA 0.054 nan 4.420 nan 0.000 0.269 1076 P C -0.735 176.682 177.300 0.195 0.000 1.215 1076 P CA -0.172 62.971 63.100 0.073 0.000 0.780 1076 P CB 0.057 31.795 31.700 0.063 0.000 0.898 1077 T N 1.743 116.379 114.554 0.137 0.000 2.848 1077 T HA 0.471 4.821 4.350 -0.000 0.000 0.283 1077 T C 0.312 175.082 174.700 0.117 0.000 0.919 1077 T CA 0.410 62.603 62.100 0.156 0.000 1.071 1077 T CB -0.636 68.259 68.868 0.045 0.000 0.912 1077 T HN 0.630 nan 8.240 nan 0.000 0.570 1078 A N 2.251 125.162 122.820 0.151 0.000 2.506 1078 A HA 0.855 5.175 4.320 -0.000 0.000 0.305 1078 A C 0.581 177.992 177.584 -0.289 0.000 1.166 1078 A CA -0.222 51.813 52.037 -0.003 0.000 0.638 1078 A CB -0.083 18.951 19.000 0.058 0.000 1.336 1078 A HN 1.486 nan 8.150 nan 0.000 0.493 1079 A N -1.273 121.307 122.820 -0.400 0.000 2.945 1079 A HA 0.037 4.357 4.320 -0.000 0.000 0.263 1079 A C 1.267 178.677 177.584 -0.290 0.000 1.293 1079 A CA 1.836 53.542 52.037 -0.551 0.000 0.944 1079 A CB -2.484 15.703 19.000 -1.355 0.000 1.093 1079 A HN 2.506 nan 8.150 nan 0.000 0.786 1080 S N -4.395 111.210 115.700 -0.159 0.000 3.146 1080 S HA -0.349 4.121 4.470 -0.000 0.000 0.285 1080 S C 1.140 175.688 174.600 -0.087 0.000 1.293 1080 S CA 1.995 60.144 58.200 -0.084 0.000 1.137 1080 S CB -2.344 60.829 63.200 -0.046 0.000 1.357 1080 S HN 2.330 nan 8.310 nan 0.000 0.678 1081 V N -2.000 117.825 119.914 -0.148 0.000 3.647 1081 V HA 0.273 4.393 4.120 -0.000 0.000 0.279 1081 V C 1.651 177.722 176.094 -0.038 0.000 1.314 1081 V CA 0.903 63.140 62.300 -0.104 0.000 1.125 1081 V CB 0.276 31.995 31.823 -0.173 0.000 0.907 1081 V HN 0.368 nan 8.190 nan 0.000 0.434 1082 S N 1.872 117.590 115.700 0.030 0.000 2.365 1082 S HA -0.226 4.244 4.470 -0.000 0.000 0.225 1082 S C 1.979 176.663 174.600 0.140 0.000 1.039 1082 S CA 2.453 60.764 58.200 0.185 0.000 1.033 1082 S CB -0.674 62.671 63.200 0.241 0.000 0.887 1082 S HN 0.771 nan 8.310 nan 0.000 0.447 1083 T N 2.174 116.758 114.554 0.050 0.000 2.708 1083 T HA -0.119 4.231 4.350 -0.000 0.000 0.266 1083 T C 1.428 176.103 174.700 -0.041 0.000 1.037 1083 T CA 1.592 63.694 62.100 0.004 0.000 1.146 1083 T CB -0.641 68.224 68.868 -0.005 0.000 0.865 1083 T HN 0.317 nan 8.240 nan 0.000 0.435 1084 D N 1.328 121.706 120.400 -0.037 0.000 2.103 1084 D HA -0.091 4.549 4.640 -0.000 0.000 0.190 1084 D C 2.159 178.343 176.300 -0.193 0.000 0.997 1084 D CA 1.292 55.246 54.000 -0.076 0.000 0.833 1084 D CB -0.445 40.370 40.800 0.025 0.000 0.961 1084 D HN 0.568 nan 8.370 nan 0.000 0.447 1085 I N -2.557 117.914 120.570 -0.165 0.000 2.333 1085 I HA -0.144 4.026 4.170 -0.000 0.000 0.246 1085 I C 1.881 177.810 176.117 -0.314 0.000 1.106 1085 I CA 1.006 62.181 61.300 -0.207 0.000 1.411 1085 I CB -0.693 37.178 38.000 -0.216 0.000 1.082 1085 I HN -0.041 nan 8.210 nan 0.000 0.420 1086 Y N 2.291 122.547 120.300 -0.073 0.000 2.373 1086 Y HA 0.075 4.625 4.550 -0.000 0.000 0.293 1086 Y C 2.821 178.625 175.900 -0.161 0.000 1.129 1086 Y CA 1.031 59.068 58.100 -0.104 0.000 1.226 1086 Y CB -0.539 37.828 38.460 -0.156 0.000 1.000 1086 Y HN 0.230 nan 8.280 nan 0.000 0.549 1087 G N -0.492 108.266 108.800 -0.072 0.000 2.422 1087 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.218 1087 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.218 1087 G C 1.484 176.290 174.900 -0.157 0.000 1.146 1087 G CA 0.935 45.968 45.100 -0.112 0.000 0.769 1087 G HN 0.268 nan 8.290 nan 0.000 0.547 1088 Q N 0.436 120.060 119.800 -0.293 0.000 2.083 1088 Q HA 0.218 4.558 4.340 -0.000 0.000 0.198 1088 Q C 2.757 178.704 176.000 -0.088 0.000 0.969 1088 Q CA 1.646 57.225 55.803 -0.372 0.000 0.838 1088 Q CB -0.539 27.586 28.738 -1.022 0.000 0.900 1088 Q HN 0.359 nan 8.270 nan 0.000 0.436 1089 A N -0.683 122.112 122.820 -0.041 0.000 1.902 1089 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 1089 A C 2.246 179.886 177.584 0.093 0.000 1.181 1089 A CA 1.657 53.737 52.037 0.071 0.000 0.623 1089 A CB -0.845 18.217 19.000 0.102 0.000 0.818 1089 A HN 0.263 nan 8.150 nan 0.000 0.443 1090 V N -1.423 118.536 119.914 0.076 0.000 2.358 1090 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 1090 V C 2.329 178.464 176.094 0.069 0.000 1.047 1090 V CA 2.052 64.392 62.300 0.068 0.000 1.035 1090 V CB -0.990 30.855 31.823 0.038 0.000 0.658 1090 V HN 0.719 nan 8.190 nan 0.000 0.452 1091 Y N 1.323 121.590 120.300 -0.055 0.000 2.128 1091 Y HA -0.235 4.315 4.550 -0.000 0.000 0.284 1091 Y C 2.622 178.511 175.900 -0.018 0.000 1.154 1091 Y CA 2.045 60.108 58.100 -0.062 0.000 1.149 1091 Y CB -0.114 38.240 38.460 -0.176 0.000 0.976 1091 Y HN 0.239 nan 8.280 nan 0.000 0.505 1092 E N 0.289 120.507 120.200 0.030 0.000 2.077 1092 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 1092 E C 2.427 179.005 176.600 -0.037 0.000 0.989 1092 E CA 1.122 57.517 56.400 -0.010 0.000 0.800 1092 E CB -0.751 29.015 29.700 0.111 0.000 0.746 1092 E HN 0.585 nan 8.360 nan 0.000 0.452 1093 A N 0.827 123.650 122.820 0.006 0.000 1.902 1093 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 1093 A C 2.637 180.212 177.584 -0.015 0.000 1.181 1093 A CA 1.472 53.517 52.037 0.014 0.000 0.623 1093 A CB -0.929 18.090 19.000 0.032 0.000 0.818 1093 A HN 0.346 nan 8.150 nan 0.000 0.443 1094 C N -0.803 118.465 119.300 -0.054 0.000 2.425 1094 C HA -0.101 4.359 4.460 -0.000 0.000 0.277 1094 C C 2.893 177.830 174.990 -0.089 0.000 1.280 1094 C CA 1.123 60.108 59.018 -0.054 0.000 1.744 1094 C CB -1.063 26.627 27.740 -0.082 0.000 1.989 1094 C HN 0.599 nan 8.230 nan 0.000 0.491 1095 Q N 0.359 120.036 119.800 -0.206 0.000 2.084 1095 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 1095 Q C 2.240 178.206 176.000 -0.057 0.000 0.978 1095 Q CA 1.925 57.624 55.803 -0.174 0.000 0.844 1095 Q CB -1.183 27.411 28.738 -0.239 0.000 0.898 1095 Q HN 0.639 nan 8.270 nan 0.000 0.426 1096 T N 1.946 116.480 114.554 -0.032 0.000 2.746 1096 T HA -0.089 4.261 4.350 -0.000 0.000 0.267 1096 T C 1.900 176.615 174.700 0.025 0.000 1.039 1096 T CA 0.791 62.894 62.100 0.005 0.000 1.142 1096 T CB -0.077 68.801 68.868 0.017 0.000 0.866 1096 T HN 0.104 nan 8.240 nan 0.000 0.444 1097 I N 1.215 121.808 120.570 0.039 0.000 2.127 1097 I HA -0.110 4.060 4.170 -0.000 0.000 0.241 1097 I C 2.405 178.574 176.117 0.087 0.000 1.075 1097 I CA 1.343 62.688 61.300 0.075 0.000 1.334 1097 I CB -1.328 36.749 38.000 0.128 0.000 1.040 1097 I HN 0.280 nan 8.210 nan 0.000 0.405 1098 L N 0.303 121.579 121.223 0.089 0.000 2.042 1098 L HA -0.253 4.087 4.340 -0.000 0.000 0.210 1098 L C 2.581 179.475 176.870 0.040 0.000 1.076 1098 L CA 1.536 56.428 54.840 0.087 0.000 0.749 1098 L CB -0.608 41.486 42.059 0.058 0.000 0.893 1098 L HN 0.245 nan 8.230 nan 0.000 0.432 1099 K N -0.236 120.178 120.400 0.024 0.000 2.097 1099 K HA -0.158 4.162 4.320 -0.000 0.000 0.206 1099 K C 2.224 178.841 176.600 0.029 0.000 1.049 1099 K CA 1.204 57.498 56.287 0.013 0.000 0.933 1099 K CB -0.096 32.409 32.500 0.008 0.000 0.717 1099 K HN 0.312 nan 8.250 nan 0.000 0.442 1100 R N 0.475 121.006 120.500 0.053 0.000 2.115 1100 R HA 0.008 4.348 4.340 -0.000 0.000 0.226 1100 R C 2.167 178.575 176.300 0.179 0.000 1.100 1100 R CA 0.795 56.952 56.100 0.096 0.000 0.980 1100 R CB -0.117 30.228 30.300 0.075 0.000 0.875 1100 R HN 0.151 nan 8.270 nan 0.000 0.445 1101 L N 0.454 121.747 121.223 0.117 0.000 2.341 1101 L HA -0.043 4.297 4.340 -0.000 0.000 0.214 1101 L C 2.249 179.164 176.870 0.076 0.000 1.115 1101 L CA 0.424 55.351 54.840 0.144 0.000 0.820 1101 L CB -0.236 41.833 42.059 0.017 0.000 0.944 1101 L HN 0.097 nan 8.230 nan 0.000 0.452 1102 E N 0.738 120.924 120.200 -0.024 0.000 2.086 1102 E HA -0.231 4.119 4.350 -0.000 0.000 0.205 1102 E C -0.259 176.223 176.600 -0.196 0.000 1.027 1102 E CA 1.868 58.189 56.400 -0.131 0.000 0.830 1102 E CB -1.364 28.282 29.700 -0.090 0.000 0.751 1102 E HN 0.360 nan 8.360 nan 0.000 0.456 1103 P HA -0.132 nan 4.420 nan 0.000 0.216 1103 P C 1.183 178.174 177.300 -0.516 0.000 1.150 1103 P CA 1.215 64.063 63.100 -0.420 0.000 0.837 1103 P CB -0.219 31.127 31.700 -0.591 0.000 0.786 1104 F N -0.278 119.574 119.950 -0.164 0.000 2.367 1104 F HA 0.032 4.559 4.527 -0.000 0.000 0.298 1104 F C 2.369 177.977 175.800 -0.320 0.000 1.094 1104 F CA 0.922 58.837 58.000 -0.142 0.000 1.409 1104 F CB -0.735 38.229 39.000 -0.061 0.000 1.064 1104 F HN -0.170 nan 8.300 nan 0.000 0.528 1105 K N 1.137 121.238 120.400 -0.498 0.000 2.057 1105 K HA -0.156 4.164 4.320 -0.000 0.000 0.206 1105 K C 1.930 178.320 176.600 -0.350 0.000 1.050 1105 K CA 1.270 56.986 56.287 -0.953 0.000 0.935 1105 K CB -0.018 31.863 32.500 -1.032 0.000 0.715 1105 K HN 0.158 nan 8.250 nan 0.000 0.439 1106 K N 0.615 120.868 120.400 -0.245 0.000 2.026 1106 K HA -0.125 4.195 4.320 -0.000 0.000 0.208 1106 K C 2.125 178.684 176.600 -0.069 0.000 1.048 1106 K CA 1.540 57.746 56.287 -0.135 0.000 0.929 1106 K CB -0.008 32.408 32.500 -0.141 0.000 0.713 1106 K HN 0.096 nan 8.250 nan 0.000 0.439 1107 K N 0.331 120.687 120.400 -0.073 0.000 2.147 1107 K HA -0.106 4.214 4.320 -0.000 0.000 0.205 1107 K C 0.736 177.378 176.600 0.071 0.000 1.049 1107 K CA 0.874 57.154 56.287 -0.011 0.000 0.936 1107 K CB -0.029 32.458 32.500 -0.020 0.000 0.722 1107 K HN 0.009 nan 8.250 nan 0.000 0.446 1108 N N -0.135 118.651 118.700 0.143 0.000 2.765 1108 N HA 0.160 4.900 4.740 -0.000 0.000 0.277 1108 N C -2.474 173.270 175.510 0.390 0.000 1.750 1108 N CA -1.929 51.275 53.050 0.257 0.000 0.827 1108 N CB 1.122 39.809 38.487 0.333 0.000 1.200 1108 N HN -0.235 nan 8.380 nan 0.000 0.494 1109 P HA -0.119 nan 4.420 nan 0.000 0.216 1109 P C 0.189 177.693 177.300 0.341 0.000 1.154 1109 P CA 1.321 64.571 63.100 0.250 0.000 0.865 1109 P CB 0.295 32.072 31.700 0.129 0.000 0.789 1110 D N -1.311 119.232 120.400 0.238 0.000 2.340 1110 D HA 0.080 4.720 4.640 -0.000 0.000 0.220 1110 D C 1.329 177.699 176.300 0.117 0.000 1.039 1110 D CA 0.359 54.459 54.000 0.166 0.000 0.866 1110 D CB -0.236 40.625 40.800 0.101 0.000 0.913 1110 D HN 0.130 nan 8.370 nan 0.000 0.523 1111 G N 0.757 109.666 108.800 0.182 0.000 2.651 1111 G HA2 0.285 4.245 3.960 -0.000 0.000 0.260 1111 G HA3 0.285 4.245 3.960 -0.000 0.000 0.260 1111 G C 0.374 174.957 174.900 -0.529 0.000 1.216 1111 G CA -0.268 44.783 45.100 -0.082 0.000 0.913 1111 G HN 0.176 nan 8.290 nan 0.000 0.535 1112 S N -0.844 114.463 115.700 -0.655 0.000 2.722 1112 S HA 0.216 4.686 4.470 -0.000 0.000 0.292 1112 S C 1.042 175.033 174.600 -1.015 0.000 1.135 1112 S CA -0.572 57.224 58.200 -0.674 0.000 1.003 1112 S CB 1.283 64.310 63.200 -0.289 0.000 1.067 1112 S HN 0.815 nan 8.310 nan 0.000 0.546 1113 W N 1.441 122.290 121.300 -0.751 0.000 2.338 1113 W HA -0.193 4.467 4.660 -0.000 0.000 0.304 1113 W C 1.062 177.465 176.519 -0.194 0.000 1.212 1113 W CA 2.280 59.404 57.345 -0.369 0.000 1.264 1113 W CB -0.509 28.891 29.460 -0.101 0.000 1.142 1113 W HN 0.837 nan 8.180 nan 0.000 0.512 1114 E N 0.832 120.949 120.200 -0.139 0.000 2.077 1114 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 1114 E C 1.689 178.161 176.600 -0.213 0.000 0.989 1114 E CA 1.985 58.287 56.400 -0.163 0.000 0.800 1114 E CB -0.734 28.941 29.700 -0.042 0.000 0.746 1114 E HN 0.211 nan 8.360 nan 0.000 0.452 1115 D N -0.512 119.734 120.400 -0.256 0.000 2.117 1115 D HA -0.158 4.482 4.640 -0.000 0.000 0.197 1115 D C 1.654 177.918 176.300 -0.062 0.000 0.987 1115 D CA 0.821 54.719 54.000 -0.169 0.000 0.829 1115 D CB -0.260 40.422 40.800 -0.197 0.000 0.961 1115 D HN 0.290 nan 8.370 nan 0.000 0.460 1116 W N 1.207 122.428 121.300 -0.132 0.000 2.358 1116 W HA -0.066 4.594 4.660 -0.000 0.000 0.303 1116 W C 2.383 178.677 176.519 -0.374 0.000 1.208 1116 W CA 0.090 57.331 57.345 -0.174 0.000 1.274 1116 W CB -1.334 28.045 29.460 -0.136 0.000 1.138 1116 W HN -0.133 nan 8.180 nan 0.000 0.515 1117 V N 0.732 120.480 119.914 -0.277 0.000 2.295 1117 V HA -0.336 3.784 4.120 -0.000 0.000 0.246 1117 V C 2.278 178.234 176.094 -0.230 0.000 1.049 1117 V CA 2.312 64.385 62.300 -0.377 0.000 1.024 1117 V CB -0.996 30.528 31.823 -0.500 0.000 0.648 1117 V HN 0.049 nan 8.190 nan 0.000 0.447 1118 M N 0.754 120.263 119.600 -0.151 0.000 2.159 1118 M HA -0.038 4.442 4.480 -0.000 0.000 0.263 1118 M C 2.007 178.274 176.300 -0.055 0.000 1.063 1118 M CA 2.026 57.296 55.300 -0.049 0.000 1.110 1118 M CB -0.753 31.830 32.600 -0.029 0.000 1.374 1118 M HN 0.262 nan 8.290 nan 0.000 0.411 1119 A N -0.351 122.397 122.820 -0.120 0.000 1.902 1119 A HA 0.058 4.378 4.320 -0.000 0.000 0.217 1119 A C 2.360 179.644 177.584 -0.500 0.000 1.181 1119 A CA 1.937 53.891 52.037 -0.138 0.000 0.623 1119 A CB -1.366 17.666 19.000 0.054 0.000 0.818 1119 A HN 0.618 nan 8.150 nan 0.000 0.443 1120 A N -1.342 120.938 122.820 -0.901 0.000 1.902 1120 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 1120 A C 2.151 179.488 177.584 -0.411 0.000 1.181 1120 A CA 1.682 53.033 52.037 -1.143 0.000 0.623 1120 A CB -0.848 17.630 19.000 -0.870 0.000 0.818 1120 A HN 0.759 nan 8.150 nan 0.000 0.443 1121 Y N 0.509 120.621 120.300 -0.313 0.000 2.145 1121 Y HA -0.231 4.319 4.550 -0.000 0.000 0.286 1121 Y C 2.461 178.294 175.900 -0.112 0.000 1.145 1121 Y CA 2.254 60.253 58.100 -0.168 0.000 1.148 1121 Y CB -0.307 38.077 38.460 -0.127 0.000 0.981 1121 Y HN 0.310 nan 8.280 nan 0.000 0.507 1122 Q N -0.215 119.433 119.800 -0.253 0.000 2.226 1122 Q HA -0.199 4.141 4.340 -0.000 0.000 0.204 1122 Q C 1.273 177.153 176.000 -0.200 0.000 0.975 1122 Q CA 1.816 57.466 55.803 -0.254 0.000 0.866 1122 Q CB -0.459 28.246 28.738 -0.055 0.000 0.915 1122 Q HN 0.564 nan 8.270 nan 0.000 0.440 1123 D N -0.140 120.182 120.400 -0.131 0.000 2.328 1123 D HA 0.039 4.679 4.640 -0.000 0.000 0.226 1123 D C -0.449 175.825 176.300 -0.044 0.000 1.066 1123 D CA -0.075 53.924 54.000 -0.002 0.000 0.861 1123 D CB 0.121 41.071 40.800 0.249 0.000 0.912 1123 D HN 0.050 nan 8.370 nan 0.000 0.521 1124 R N -0.718 119.679 120.500 -0.172 0.000 3.267 1124 R HA -0.126 4.214 4.340 -0.000 0.000 0.254 1124 R C -1.112 175.154 176.300 -0.057 0.000 0.993 1124 R CA 0.039 56.048 56.100 -0.152 0.000 0.670 1124 R CB -2.097 28.133 30.300 -0.116 0.000 1.125 1124 R HN 0.020 nan 8.270 nan 0.000 0.434 1125 V N 0.778 120.661 119.914 -0.050 0.000 2.417 1125 V HA 0.235 4.355 4.120 -0.000 0.000 0.291 1125 V C 0.734 176.824 176.094 -0.007 0.000 1.024 1125 V CA -0.455 61.848 62.300 0.005 0.000 0.861 1125 V CB 1.911 33.765 31.823 0.051 0.000 0.985 1125 V HN 0.391 nan 8.190 nan 0.000 0.436 1126 S N 4.586 120.294 115.700 0.013 0.000 2.537 1126 S HA 0.250 4.720 4.470 -0.000 0.000 0.286 1126 S C 0.410 175.019 174.600 0.016 0.000 1.299 1126 S CA -0.162 58.050 58.200 0.021 0.000 1.067 1126 S CB 0.081 63.297 63.200 0.025 0.000 0.864 1126 S HN 0.598 nan 8.310 nan 0.000 0.494 1127 L N 4.157 125.388 121.223 0.014 0.000 2.928 1127 L HA 0.330 4.670 4.340 -0.000 0.000 0.246 1127 L C 0.455 177.338 176.870 0.022 0.000 1.239 1127 L CA -0.207 54.631 54.840 -0.003 0.000 1.035 1127 L CB 0.406 42.443 42.059 -0.037 0.000 1.360 1127 L HN 0.542 nan 8.230 nan 0.000 0.529 1128 S N -0.483 115.250 115.700 0.055 0.000 2.557 1128 S HA 0.708 5.178 4.470 -0.000 0.000 0.291 1128 S C -0.612 174.038 174.600 0.084 0.000 1.116 1128 S CA -0.278 58.000 58.200 0.130 0.000 0.992 1128 S CB 1.972 65.292 63.200 0.199 0.000 1.028 1128 S HN 0.113 nan 8.310 nan 0.000 0.484 1129 T N 1.985 116.574 114.554 0.058 0.000 2.853 1129 T HA 0.665 5.015 4.350 -0.000 0.000 0.311 1129 T C -0.631 174.085 174.700 0.027 0.000 1.307 1129 T CA -0.319 61.806 62.100 0.041 0.000 1.019 1129 T CB 1.464 70.354 68.868 0.037 0.000 1.264 1129 T HN 0.846 nan 8.240 nan 0.000 0.497 1130 T N 0.163 114.744 114.554 0.044 0.000 2.936 1130 T HA 0.848 5.198 4.350 -0.000 0.000 0.282 1130 T C 0.346 175.100 174.700 0.091 0.000 1.003 1130 T CA -0.531 61.607 62.100 0.063 0.000 1.005 1130 T CB 1.461 70.372 68.868 0.071 0.000 1.097 1130 T HN 0.963 nan 8.240 nan 0.000 0.532 1131 G N -0.233 108.651 108.800 0.140 0.000 2.667 1131 G HA2 0.655 4.615 3.960 -0.000 0.000 0.298 1131 G HA3 0.655 4.615 3.960 -0.000 0.000 0.298 1131 G C -2.152 172.924 174.900 0.293 0.000 1.377 1131 G CA -0.787 44.415 45.100 0.170 0.000 0.964 1131 G HN 0.705 nan 8.290 nan 0.000 0.493 1132 F N 0.758 120.766 119.950 0.096 0.000 2.641 1132 F HA 0.732 5.259 4.527 -0.000 0.000 0.308 1132 F C -1.947 173.952 175.800 0.164 0.000 1.105 1132 F CA -1.122 56.941 58.000 0.106 0.000 0.964 1132 F CB 2.349 41.387 39.000 0.064 0.000 1.294 1132 F HN 0.586 nan 8.300 nan 0.000 0.442 1133 Y N 4.404 124.295 120.300 -0.681 0.000 2.534 1133 Y HA 0.655 5.205 4.550 -0.000 0.000 0.345 1133 Y C -1.576 173.967 175.900 -0.596 0.000 1.031 1133 Y CA -1.150 56.689 58.100 -0.436 0.000 1.022 1133 Y CB 1.610 39.885 38.460 -0.308 0.000 1.292 1133 Y HN 0.717 nan 8.280 nan 0.000 0.459 1134 R N 3.651 123.499 120.500 -1.087 0.000 2.502 1134 R HA 0.415 4.755 4.340 -0.000 0.000 0.298 1134 R C -1.365 174.271 176.300 -1.105 0.000 1.018 1134 R CA -0.465 55.143 56.100 -0.821 0.000 0.899 1134 R CB 1.274 31.394 30.300 -0.299 0.000 1.181 1134 R HN 0.813 nan 8.270 nan 0.000 0.444 1135 T N 7.111 121.112 114.554 -0.922 0.000 2.829 1135 T HA 0.123 4.473 4.350 -0.000 0.000 0.293 1135 T C -2.005 172.458 174.700 -0.396 0.000 0.970 1135 T CA -0.463 61.231 62.100 -0.677 0.000 1.168 1135 T CB 0.629 69.223 68.868 -0.456 0.000 0.911 1135 T HN 0.468 nan 8.240 nan 0.000 0.535 1136 P HA 0.218 nan 4.420 nan 0.000 0.278 1136 P C -0.222 177.082 177.300 0.008 0.000 1.258 1136 P CA -0.592 62.456 63.100 -0.087 0.000 0.811 1136 P CB 0.524 32.221 31.700 -0.005 0.000 1.063 1137 N N -0.712 117.997 118.700 0.016 0.000 2.725 1137 N HA -0.156 4.584 4.740 -0.000 0.000 0.251 1137 N C -0.648 174.880 175.510 0.030 0.000 1.031 1137 N CA 0.863 53.935 53.050 0.036 0.000 0.720 1137 N CB -1.624 36.904 38.487 0.069 0.000 0.930 1137 N HN 0.464 nan 8.380 nan 0.000 0.543 1138 L N -0.557 120.661 121.223 -0.008 0.000 2.346 1138 L HA 0.745 5.085 4.340 -0.000 0.000 0.274 1138 L C 0.934 177.789 176.870 -0.025 0.000 1.007 1138 L CA -0.610 54.210 54.840 -0.033 0.000 0.818 1138 L CB 2.102 44.118 42.059 -0.072 0.000 1.284 1138 L HN 0.242 nan 8.230 nan 0.000 0.424 1139 G N 1.616 110.401 108.800 -0.024 0.000 3.069 1139 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.235 1139 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.235 1139 G C -1.499 173.416 174.900 0.025 0.000 3.841 1139 G CA -0.702 44.400 45.100 0.004 0.000 0.498 1139 G HN 0.394 nan 8.290 nan 0.000 0.354 1140 Y N 1.782 122.021 120.300 -0.101 0.000 2.304 1140 Y HA 0.727 5.277 4.550 -0.000 0.000 0.327 1140 Y C 0.320 176.214 175.900 -0.011 0.000 1.209 1140 Y CA -0.121 57.920 58.100 -0.099 0.000 1.299 1140 Y CB 1.919 40.242 38.460 -0.228 0.000 1.249 1140 Y HN 0.461 nan 8.280 nan 0.000 0.519 1141 S N 5.076 120.192 115.700 -0.974 0.000 2.561 1141 S HA 0.352 4.822 4.470 -0.000 0.000 0.303 1141 S C -0.033 174.011 174.600 -0.926 0.000 1.110 1141 S CA -0.674 57.163 58.200 -0.605 0.000 1.034 1141 S CB 0.217 63.240 63.200 -0.294 0.000 1.010 1141 S HN 0.699 nan 8.310 nan 0.000 0.482 1142 F N 2.355 122.093 119.950 -0.354 0.000 2.407 1142 F HA 0.104 4.631 4.527 -0.000 0.000 0.299 1142 F C 2.290 178.043 175.800 -0.077 0.000 1.097 1142 F CA 0.629 58.575 58.000 -0.090 0.000 1.422 1142 F CB 0.182 39.232 39.000 0.083 0.000 1.067 1142 F HN 0.573 nan 8.300 nan 0.000 0.539 1143 E N -0.580 119.657 120.200 0.062 0.000 2.107 1143 E HA -0.120 4.230 4.350 -0.000 0.000 0.191 1143 E C 2.239 178.832 176.600 -0.012 0.000 0.982 1143 E CA 1.841 58.264 56.400 0.037 0.000 0.809 1143 E CB -0.984 28.731 29.700 0.025 0.000 0.756 1143 E HN 0.416 nan 8.360 nan 0.000 0.459 1144 T N -2.385 112.117 114.554 -0.086 0.000 3.040 1144 T HA 0.057 4.407 4.350 -0.000 0.000 0.250 1144 T C 0.681 175.327 174.700 -0.090 0.000 1.058 1144 T CA 0.254 62.308 62.100 -0.077 0.000 0.988 1144 T CB -0.379 68.437 68.868 -0.085 0.000 0.993 1144 T HN 0.231 nan 8.240 nan 0.000 0.519 1145 N N 1.271 119.868 118.700 -0.171 0.000 2.714 1145 N HA -0.214 4.526 4.740 -0.000 0.000 0.252 1145 N C -0.629 174.895 175.510 0.024 0.000 1.014 1145 N CA 0.409 53.431 53.050 -0.047 0.000 0.735 1145 N CB -1.013 37.534 38.487 0.101 0.000 0.924 1145 N HN 0.826 nan 8.380 nan 0.000 0.540 1146 S N -0.762 114.849 115.700 -0.149 0.000 2.570 1146 S HA 0.846 5.316 4.470 -0.000 0.000 0.270 1146 S C -0.058 174.530 174.600 -0.020 0.000 1.149 1146 S CA -0.061 58.137 58.200 -0.004 0.000 0.837 1146 S CB 2.133 65.317 63.200 -0.027 0.000 1.124 1146 S HN 1.078 nan 8.310 nan 0.000 0.465 1147 G N 1.469 110.316 108.800 0.078 0.000 2.784 1147 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.686 1147 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.686 1147 G C -1.367 173.624 174.900 0.151 0.000 1.156 1147 G CA -1.153 43.990 45.100 0.071 0.000 0.757 1147 G HN 0.861 nan 8.290 nan 0.000 0.642 1148 N N 0.625 119.364 118.700 0.065 0.000 2.452 1148 N HA 0.381 5.121 4.740 -0.000 0.000 0.266 1148 N C 1.279 176.703 175.510 -0.144 0.000 1.175 1148 N CA 0.586 53.644 53.050 0.013 0.000 0.945 1148 N CB 1.592 40.087 38.487 0.014 0.000 1.063 1148 N HN 1.004 nan 8.380 nan 0.000 0.472 1149 A N 2.964 125.539 122.820 -0.408 0.000 1.975 1149 A HA 0.172 4.492 4.320 -0.000 0.000 0.215 1149 A C 0.138 176.932 177.584 -1.316 0.000 1.170 1149 A CA 0.780 52.158 52.037 -1.099 0.000 0.656 1149 A CB 0.113 17.753 19.000 -2.266 0.000 0.821 1149 A HN 0.557 nan 8.150 nan 0.000 0.449 1150 F N -3.764 115.927 119.950 -0.432 0.000 2.593 1150 F HA 0.487 5.014 4.527 -0.000 0.000 0.320 1150 F C 0.998 176.617 175.800 -0.301 0.000 1.060 1150 F CA -0.752 56.951 58.000 -0.496 0.000 0.940 1150 F CB 1.062 39.530 39.000 -0.887 0.000 1.268 1150 F HN 0.091 nan 8.300 nan 0.000 0.475 1151 H N 0.301 119.257 119.070 -0.190 0.000 2.436 1151 H HA 0.082 4.638 4.556 -0.000 0.000 0.294 1151 H C -0.883 174.481 175.328 0.061 0.000 1.048 1151 H CA 1.606 57.621 56.048 -0.055 0.000 1.353 1151 H CB 0.199 29.964 29.762 0.004 0.000 1.414 1151 H HN 0.528 nan 8.280 nan 0.000 0.536 1152 Y N -4.501 115.685 120.300 -0.191 0.000 2.925 1152 Y HA 0.404 4.954 4.550 -0.000 0.000 0.349 1152 Y C -1.947 173.678 175.900 -0.457 0.000 1.342 1152 Y CA -2.081 55.896 58.100 -0.204 0.000 1.093 1152 Y CB 0.417 38.817 38.460 -0.100 0.000 1.571 1152 Y HN -0.202 nan 8.280 nan 0.000 0.438 1153 F N 0.080 120.052 119.950 0.036 0.000 2.577 1153 F HA 0.746 5.273 4.527 -0.000 0.000 0.318 1153 F C -0.153 175.399 175.800 -0.414 0.000 1.065 1153 F CA -0.947 56.851 58.000 -0.338 0.000 0.929 1153 F CB 2.565 41.262 39.000 -0.505 0.000 1.237 1153 F HN 0.503 nan 8.300 nan 0.000 0.468 1154 T N 1.596 116.016 114.554 -0.224 0.000 2.824 1154 T HA 0.581 4.931 4.350 -0.000 0.000 0.280 1154 T C -1.234 173.287 174.700 -0.298 0.000 0.995 1154 T CA -0.470 61.552 62.100 -0.131 0.000 1.009 1154 T CB 0.579 69.485 68.868 0.064 0.000 0.955 1154 T HN 0.306 nan 8.240 nan 0.000 0.452 1155 Y N 0.165 120.558 120.300 0.154 0.000 2.598 1155 Y HA 0.789 5.339 4.550 -0.000 0.000 0.340 1155 Y C 0.671 176.622 175.900 0.084 0.000 1.038 1155 Y CA -0.963 57.194 58.100 0.095 0.000 1.100 1155 Y CB 2.391 40.835 38.460 -0.027 0.000 1.281 1155 Y HN 0.908 nan 8.280 nan 0.000 0.488 1156 G N -0.225 108.737 108.800 0.270 0.000 2.547 1156 G HA2 0.557 4.517 3.960 -0.000 0.000 0.291 1156 G HA3 0.557 4.517 3.960 -0.000 0.000 0.291 1156 G C -2.442 172.578 174.900 0.201 0.000 1.471 1156 G CA -0.706 44.511 45.100 0.195 0.000 0.798 1156 G HN 0.495 nan 8.290 nan 0.000 0.504 1157 V N -0.298 119.715 119.914 0.165 0.000 2.841 1157 V HA 0.894 5.014 4.120 -0.000 0.000 0.310 1157 V C -0.065 176.091 176.094 0.103 0.000 1.090 1157 V CA -0.256 62.151 62.300 0.178 0.000 0.930 1157 V CB 1.733 33.674 31.823 0.196 0.000 1.014 1157 V HN 1.749 nan 8.190 nan 0.000 0.425 1158 A N 2.438 125.319 122.820 0.102 0.000 2.422 1158 A HA 0.777 5.097 4.320 -0.000 0.000 0.302 1158 A C -1.003 176.604 177.584 0.037 0.000 1.041 1158 A CA -0.458 51.617 52.037 0.063 0.000 0.708 1158 A CB 1.714 20.798 19.000 0.140 0.000 1.257 1158 A HN 1.101 nan 8.150 nan 0.000 0.414 1159 C N 1.943 121.245 119.300 0.002 0.000 2.345 1159 C HA 0.858 5.318 4.460 -0.000 0.000 0.323 1159 C C -0.123 174.899 174.990 0.053 0.000 1.276 1159 C CA -0.061 58.965 59.018 0.014 0.000 1.543 1159 C CB 0.129 27.856 27.740 -0.021 0.000 2.211 1159 C HN 0.840 nan 8.230 nan 0.000 0.493 1160 S N 3.719 119.474 115.700 0.091 0.000 2.536 1160 S HA 0.583 5.053 4.470 -0.000 0.000 0.287 1160 S C -1.255 173.387 174.600 0.069 0.000 1.101 1160 S CA -0.464 57.793 58.200 0.095 0.000 0.950 1160 S CB 1.676 64.975 63.200 0.166 0.000 1.056 1160 S HN 0.885 nan 8.310 nan 0.000 0.481 1161 E N 1.782 122.008 120.200 0.043 0.000 2.222 1161 E HA 0.692 5.042 4.350 -0.000 0.000 0.267 1161 E C -1.137 175.478 176.600 0.025 0.000 0.884 1161 E CA -0.818 55.588 56.400 0.011 0.000 0.764 1161 E CB 1.453 31.134 29.700 -0.031 0.000 1.169 1161 E HN 0.501 nan 8.360 nan 0.000 0.413 1162 V N 0.394 120.318 119.914 0.018 0.000 3.160 1162 V HA 0.683 4.803 4.120 -0.000 0.000 0.310 1162 V C -1.046 175.055 176.094 0.011 0.000 1.181 1162 V CA -0.841 61.496 62.300 0.061 0.000 1.047 1162 V CB 1.873 33.761 31.823 0.107 0.000 1.068 1162 V HN 0.836 nan 8.190 nan 0.000 0.441 1163 E N 1.735 121.969 120.200 0.057 0.000 2.265 1163 E HA 0.588 4.938 4.350 -0.000 0.000 0.262 1163 E C -1.010 175.675 176.600 0.142 0.000 0.889 1163 E CA -0.813 55.602 56.400 0.025 0.000 0.789 1163 E CB 1.865 31.521 29.700 -0.073 0.000 1.221 1163 E HN 0.949 nan 8.360 nan 0.000 0.414 1164 I N 0.642 121.302 120.570 0.150 0.000 2.566 1164 I HA 0.540 4.710 4.170 -0.000 0.000 0.303 1164 I C -0.321 175.914 176.117 0.198 0.000 0.983 1164 I CA -0.766 60.642 61.300 0.181 0.000 1.235 1164 I CB 1.609 39.678 38.000 0.115 0.000 1.386 1164 I HN 0.360 nan 8.210 nan 0.000 0.494 1165 D N 4.685 125.206 120.400 0.201 0.000 2.443 1165 D HA 0.253 4.893 4.640 -0.000 0.000 0.221 1165 D C 0.610 177.032 176.300 0.204 0.000 1.097 1165 D CA -0.476 53.652 54.000 0.213 0.000 0.865 1165 D CB 1.397 42.320 40.800 0.206 0.000 1.034 1165 D HN 0.755 nan 8.370 nan 0.000 0.511 1166 C N 3.254 122.697 119.300 0.238 0.000 2.422 1166 C HA -0.044 4.416 4.460 -0.000 0.000 0.286 1166 C C 2.451 177.594 174.990 0.256 0.000 1.412 1166 C CA 0.133 59.301 59.018 0.250 0.000 1.786 1166 C CB -0.902 27.025 27.740 0.311 0.000 1.835 1166 C HN 0.655 nan 8.230 nan 0.000 0.533 1167 L N 0.600 121.955 121.223 0.220 0.000 2.477 1167 L HA 0.033 4.373 4.340 -0.000 0.000 0.220 1167 L C 2.451 179.334 176.870 0.021 0.000 1.106 1167 L CA 1.515 56.402 54.840 0.078 0.000 0.851 1167 L CB -0.284 41.761 42.059 -0.023 0.000 0.994 1167 L HN 0.532 nan 8.230 nan 0.000 0.462 1168 T N -6.145 108.474 114.554 0.108 0.000 2.966 1168 T HA 0.293 4.643 4.350 -0.000 0.000 0.254 1168 T C 1.417 176.257 174.700 0.233 0.000 0.961 1168 T CA 0.613 62.790 62.100 0.128 0.000 0.915 1168 T CB 1.131 70.115 68.868 0.194 0.000 1.186 1168 T HN 0.240 nan 8.240 nan 0.000 0.505 1169 G N 1.451 110.364 108.800 0.189 0.000 2.195 1169 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.246 1169 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.246 1169 G C -0.163 174.825 174.900 0.147 0.000 0.984 1169 G CA 0.172 45.361 45.100 0.147 0.000 0.633 1169 G HN 0.842 nan 8.290 nan 0.000 0.525 1170 D N 1.119 121.615 120.400 0.160 0.000 2.360 1170 D HA 0.536 5.176 4.640 -0.000 0.000 0.242 1170 D C 0.622 177.041 176.300 0.198 0.000 1.184 1170 D CA 0.470 54.546 54.000 0.128 0.000 0.930 1170 D CB 0.313 41.140 40.800 0.046 0.000 1.161 1170 D HN 0.609 nan 8.370 nan 0.000 0.447 1171 H N -1.125 117.973 119.070 0.046 0.000 3.017 1171 H HA 0.462 5.018 4.556 -0.000 0.000 0.346 1171 H C -1.306 174.081 175.328 0.098 0.000 1.286 1171 H CA -0.971 55.120 56.048 0.072 0.000 1.120 1171 H CB 0.677 30.457 29.762 0.031 0.000 1.860 1171 H HN 0.295 nan 8.280 nan 0.000 0.542 1172 K N 1.533 121.967 120.400 0.057 0.000 2.270 1172 K HA 0.302 4.622 4.320 -0.000 0.000 0.255 1172 K C -0.676 175.988 176.600 0.107 0.000 0.936 1172 K CA -1.068 55.244 56.287 0.042 0.000 0.809 1172 K CB 1.574 34.176 32.500 0.171 0.000 1.131 1172 K HN 0.446 nan 8.250 nan 0.000 0.427 1173 N N 3.868 122.605 118.700 0.061 0.000 2.558 1173 N HA 0.120 4.860 4.740 -0.000 0.000 0.233 1173 N C 0.828 176.392 175.510 0.090 0.000 1.038 1173 N CA -0.002 53.112 53.050 0.106 0.000 0.934 1173 N CB 0.769 39.301 38.487 0.075 0.000 1.175 1173 N HN 0.451 nan 8.380 nan 0.000 0.512 1174 L N 0.942 122.218 121.223 0.089 0.000 2.005 1174 L HA 0.039 4.379 4.340 -0.000 0.000 0.207 1174 L C 1.124 178.033 176.870 0.064 0.000 1.072 1174 L CA 1.072 55.963 54.840 0.084 0.000 0.744 1174 L CB 0.022 42.080 42.059 -0.002 0.000 0.895 1174 L HN 0.406 nan 8.230 nan 0.000 0.433 1175 R N -1.207 119.313 120.500 0.034 0.000 2.629 1175 R HA 0.392 4.732 4.340 -0.000 0.000 0.266 1175 R C -1.718 174.589 176.300 0.011 0.000 1.051 1175 R CA -0.368 55.748 56.100 0.027 0.000 0.895 1175 R CB 2.101 32.415 30.300 0.023 0.000 1.246 1175 R HN -0.209 nan 8.270 nan 0.000 0.459 1176 T N 2.333 116.884 114.554 -0.005 0.000 2.971 1176 T HA 0.342 4.692 4.350 -0.000 0.000 0.304 1176 T C -1.809 172.902 174.700 0.017 0.000 1.038 1176 T CA -0.622 61.455 62.100 -0.039 0.000 1.007 1176 T CB 1.621 70.351 68.868 -0.229 0.000 1.055 1176 T HN 0.544 nan 8.240 nan 0.000 0.451 1177 D N 2.093 122.487 120.400 -0.010 0.000 2.492 1177 D HA 0.588 5.228 4.640 -0.000 0.000 0.248 1177 D C -0.604 175.674 176.300 -0.037 0.000 1.101 1177 D CA -0.296 53.701 54.000 -0.004 0.000 0.840 1177 D CB 1.403 42.195 40.800 -0.013 0.000 1.209 1177 D HN 0.360 nan 8.370 nan 0.000 0.524 1178 I N 1.919 122.466 120.570 -0.038 0.000 2.509 1178 I HA 0.454 4.624 4.170 -0.000 0.000 0.293 1178 I C -0.794 175.316 176.117 -0.012 0.000 1.020 1178 I CA -1.114 60.164 61.300 -0.037 0.000 1.088 1178 I CB 2.087 40.044 38.000 -0.071 0.000 1.267 1178 I HN 0.018 nan 8.210 nan 0.000 0.430 1179 V N 6.509 126.431 119.914 0.013 0.000 2.376 1179 V HA 0.432 4.552 4.120 -0.000 0.000 0.287 1179 V C -0.353 175.774 176.094 0.055 0.000 1.015 1179 V CA -0.424 61.890 62.300 0.024 0.000 0.834 1179 V CB 1.605 33.439 31.823 0.018 0.000 1.001 1179 V HN 0.635 nan 8.190 nan 0.000 0.428 1180 M N 4.017 123.650 119.600 0.054 0.000 2.383 1180 M HA 0.532 5.012 4.480 -0.000 0.000 0.325 1180 M C -0.787 175.563 176.300 0.083 0.000 1.092 1180 M CA -0.411 54.936 55.300 0.077 0.000 0.961 1180 M CB 1.706 34.344 32.600 0.063 0.000 1.672 1180 M HN 0.635 nan 8.290 nan 0.000 0.438 1181 D N 3.431 123.901 120.400 0.117 0.000 2.428 1181 D HA 0.338 4.978 4.640 -0.000 0.000 0.221 1181 D C -0.083 176.286 176.300 0.116 0.000 1.123 1181 D CA -0.319 53.756 54.000 0.125 0.000 0.869 1181 D CB 0.629 41.547 40.800 0.196 0.000 1.032 1181 D HN 0.407 nan 8.370 nan 0.000 0.506 1182 V N 2.052 122.013 119.914 0.078 0.000 3.006 1182 V HA 0.619 4.739 4.120 -0.000 0.000 0.357 1182 V C 1.167 177.285 176.094 0.040 0.000 1.377 1182 V CA 0.211 62.549 62.300 0.063 0.000 1.198 1182 V CB -0.327 31.520 31.823 0.040 0.000 1.216 1182 V HN 0.651 nan 8.190 nan 0.000 0.520 1183 G N 1.565 110.388 108.800 0.039 0.000 2.582 1183 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.288 1183 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.288 1183 G C 0.114 175.022 174.900 0.012 0.000 1.247 1183 G CA 0.138 45.242 45.100 0.007 0.000 0.972 1183 G HN 1.025 nan 8.290 nan 0.000 0.557 1184 S N 0.514 116.215 115.700 0.002 0.000 2.485 1184 S HA 0.512 4.982 4.470 -0.000 0.000 0.312 1184 S C 0.579 175.187 174.600 0.014 0.000 1.102 1184 S CA 0.637 58.845 58.200 0.013 0.000 1.066 1184 S CB 1.027 64.233 63.200 0.011 0.000 1.102 1184 S HN 1.212 nan 8.310 nan 0.000 0.519 1185 S N 3.164 118.873 115.700 0.015 0.000 2.558 1185 S HA 0.074 4.544 4.470 -0.000 0.000 0.293 1185 S C 1.268 175.864 174.600 -0.006 0.000 1.292 1185 S CA -0.397 57.802 58.200 -0.001 0.000 1.063 1185 S CB 0.053 63.241 63.200 -0.019 0.000 0.831 1185 S HN 0.662 nan 8.310 nan 0.000 0.499 1186 L N 3.417 124.636 121.223 -0.007 0.000 2.313 1186 L HA 0.173 4.513 4.340 -0.000 0.000 0.214 1186 L C 1.071 177.920 176.870 -0.034 0.000 1.119 1186 L CA 0.383 55.221 54.840 -0.003 0.000 0.809 1186 L CB -0.209 41.862 42.059 0.020 0.000 0.933 1186 L HN 0.622 nan 8.230 nan 0.000 0.449 1187 N N -0.587 118.076 118.700 -0.063 0.000 2.747 1187 N HA 0.110 4.850 4.740 -0.000 0.000 0.262 1187 N C -2.275 173.127 175.510 -0.181 0.000 1.261 1187 N CA -1.012 51.973 53.050 -0.109 0.000 0.809 1187 N CB 1.643 40.075 38.487 -0.093 0.000 1.450 1187 N HN -0.257 nan 8.380 nan 0.000 0.560 1188 P HA -0.088 nan 4.420 nan 0.000 0.220 1188 P C 0.998 177.995 177.300 -0.506 0.000 1.148 1188 P CA 0.871 63.717 63.100 -0.422 0.000 0.803 1188 P CB 0.490 31.748 31.700 -0.737 0.000 0.782 1189 A N 0.342 122.841 122.820 -0.536 0.000 1.872 1189 A HA -0.086 4.234 4.320 -0.000 0.000 0.214 1189 A C 2.400 179.735 177.584 -0.414 0.000 1.187 1189 A CA 1.072 52.719 52.037 -0.650 0.000 0.614 1189 A CB -1.369 16.947 19.000 -1.140 0.000 0.826 1189 A HN 0.062 nan 8.150 nan 0.000 0.442 1190 I N 0.200 120.607 120.570 -0.271 0.000 2.179 1190 I HA -0.245 3.925 4.170 -0.000 0.000 0.242 1190 I C 1.707 177.760 176.117 -0.108 0.000 1.088 1190 I CA 1.639 62.862 61.300 -0.128 0.000 1.357 1190 I CB -0.745 37.209 38.000 -0.077 0.000 1.051 1190 I HN 0.264 nan 8.210 nan 0.000 0.409 1191 D N 0.844 121.169 120.400 -0.126 0.000 2.228 1191 D HA -0.159 4.481 4.640 -0.000 0.000 0.203 1191 D C 2.067 178.320 176.300 -0.079 0.000 0.988 1191 D CA 1.380 55.326 54.000 -0.090 0.000 0.864 1191 D CB -0.032 40.722 40.800 -0.077 0.000 0.928 1191 D HN 0.399 nan 8.370 nan 0.000 0.469 1192 I N -0.153 120.347 120.570 -0.118 0.000 3.462 1192 I HA 0.044 4.214 4.170 -0.000 0.000 0.290 1192 I C 2.258 178.320 176.117 -0.092 0.000 1.236 1192 I CA 0.202 61.440 61.300 -0.104 0.000 1.418 1192 I CB 0.248 38.156 38.000 -0.153 0.000 1.102 1192 I HN -0.044 nan 8.210 nan 0.000 0.441 1193 G N 0.340 109.086 108.800 -0.090 0.000 2.418 1193 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.217 1193 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.217 1193 G C 1.504 176.404 174.900 -0.001 0.000 1.158 1193 G CA 0.381 45.453 45.100 -0.046 0.000 0.771 1193 G HN 0.239 nan 8.290 nan 0.000 0.545 1194 Q N 0.139 119.939 119.800 0.001 0.000 2.079 1194 Q HA -0.010 4.330 4.340 -0.000 0.000 0.200 1194 Q C 2.993 179.026 176.000 0.056 0.000 0.974 1194 Q CA 0.819 56.643 55.803 0.035 0.000 0.840 1194 Q CB -0.625 28.123 28.738 0.017 0.000 0.898 1194 Q HN 0.400 nan 8.270 nan 0.000 0.430 1195 V N 1.532 121.466 119.914 0.032 0.000 2.295 1195 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 1195 V C 2.127 178.299 176.094 0.131 0.000 1.049 1195 V CA 1.994 64.332 62.300 0.064 0.000 1.024 1195 V CB -0.478 31.352 31.823 0.013 0.000 0.648 1195 V HN 0.394 nan 8.190 nan 0.000 0.447 1196 E N 0.182 120.419 120.200 0.060 0.000 2.072 1196 E HA -0.124 4.226 4.350 -0.000 0.000 0.191 1196 E C 2.325 179.085 176.600 0.266 0.000 0.985 1196 E CA 1.181 57.669 56.400 0.146 0.000 0.801 1196 E CB -0.510 29.135 29.700 -0.092 0.000 0.750 1196 E HN 0.642 nan 8.360 nan 0.000 0.452 1197 G N 1.354 110.242 108.800 0.147 0.000 2.421 1197 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.216 1197 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.216 1197 G C 1.718 176.708 174.900 0.151 0.000 1.171 1197 G CA 0.903 46.079 45.100 0.127 0.000 0.775 1197 G HN 0.343 nan 8.290 nan 0.000 0.543 1198 A N 0.423 123.344 122.820 0.167 0.000 1.877 1198 A HA 0.053 4.373 4.320 -0.000 0.000 0.216 1198 A C 2.188 179.869 177.584 0.162 0.000 1.186 1198 A CA 1.618 53.744 52.037 0.148 0.000 0.620 1198 A CB -0.621 18.451 19.000 0.122 0.000 0.822 1198 A HN 0.412 nan 8.150 nan 0.000 0.443 1199 F N 0.815 120.832 119.950 0.112 0.000 2.126 1199 F HA -0.185 4.342 4.527 -0.000 0.000 0.299 1199 F C 2.184 178.047 175.800 0.104 0.000 1.096 1199 F CA 2.087 60.167 58.000 0.134 0.000 1.255 1199 F CB -0.260 38.879 39.000 0.230 0.000 0.997 1199 F HN 0.031 nan 8.300 nan 0.000 0.479 1200 V N 0.191 120.209 119.914 0.172 0.000 2.427 1200 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 1200 V C 2.297 178.338 176.094 -0.088 0.000 1.051 1200 V CA 2.080 64.401 62.300 0.034 0.000 1.048 1200 V CB -0.729 31.193 31.823 0.166 0.000 0.666 1200 V HN 0.401 nan 8.190 nan 0.000 0.456 1201 Q N -0.138 119.621 119.800 -0.069 0.000 2.167 1201 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 1201 Q C 2.339 178.210 176.000 -0.215 0.000 0.970 1201 Q CA 1.470 57.202 55.803 -0.119 0.000 0.855 1201 Q CB -0.365 28.336 28.738 -0.062 0.000 0.911 1201 Q HN 0.736 nan 8.270 nan 0.000 0.438 1202 G N 1.176 109.845 108.800 -0.217 0.000 2.402 1202 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.216 1202 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.216 1202 G C 1.379 176.117 174.900 -0.270 0.000 1.162 1202 G CA 0.313 45.247 45.100 -0.276 0.000 0.777 1202 G HN 0.312 nan 8.290 nan 0.000 0.539 1203 L N 0.773 121.803 121.223 -0.322 0.000 2.043 1203 L HA -0.012 4.328 4.340 -0.000 0.000 0.212 1203 L C 2.818 179.592 176.870 -0.160 0.000 1.075 1203 L CA 2.008 56.700 54.840 -0.248 0.000 0.752 1203 L CB -0.571 41.297 42.059 -0.318 0.000 0.891 1203 L HN 0.260 nan 8.230 nan 0.000 0.432 1204 G N 0.030 108.710 108.800 -0.200 0.000 2.421 1204 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.216 1204 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.216 1204 G C 1.491 176.224 174.900 -0.278 0.000 1.171 1204 G CA 0.890 45.865 45.100 -0.210 0.000 0.775 1204 G HN 0.396 nan 8.290 nan 0.000 0.543 1205 L N -0.219 120.753 121.223 -0.419 0.000 2.013 1205 L HA 0.045 4.385 4.340 -0.000 0.000 0.212 1205 L C 2.425 178.944 176.870 -0.584 0.000 1.073 1205 L CA 1.795 56.266 54.840 -0.614 0.000 0.753 1205 L CB -0.586 40.885 42.059 -0.981 0.000 0.890 1205 L HN 0.268 nan 8.230 nan 0.000 0.432 1206 F N -1.354 118.431 119.950 -0.274 0.000 2.664 1206 F HA 0.032 4.559 4.527 -0.000 0.000 0.296 1206 F C 1.912 177.677 175.800 -0.059 0.000 1.125 1206 F CA 0.729 58.574 58.000 -0.259 0.000 1.444 1206 F CB -0.215 38.623 39.000 -0.270 0.000 1.114 1206 F HN 0.317 nan 8.300 nan 0.000 0.576 1207 T N -4.910 109.683 114.554 0.065 0.000 2.993 1207 T HA 0.217 4.567 4.350 -0.000 0.000 0.260 1207 T C 0.984 175.687 174.700 0.005 0.000 0.939 1207 T CA 0.117 62.248 62.100 0.051 0.000 0.886 1207 T CB 0.053 68.955 68.868 0.057 0.000 1.209 1207 T HN 0.010 nan 8.240 nan 0.000 0.518 1208 L N 0.572 121.754 121.223 -0.069 0.000 2.713 1208 L HA 0.529 4.869 4.340 -0.000 0.000 0.223 1208 L C 0.400 177.144 176.870 -0.210 0.000 1.040 1208 L CA 0.398 55.169 54.840 -0.115 0.000 0.894 1208 L CB -0.158 41.819 42.059 -0.136 0.000 1.361 1208 L HN 0.234 nan 8.230 nan 0.000 0.490 1209 E N 1.470 121.497 120.200 -0.289 0.000 2.257 1209 E HA 0.277 4.627 4.350 -0.000 0.000 0.278 1209 E C -0.270 176.226 176.600 -0.174 0.000 1.049 1209 E CA 0.172 56.314 56.400 -0.430 0.000 0.876 1209 E CB 0.705 30.149 29.700 -0.427 0.000 1.035 1209 E HN 0.096 nan 8.360 nan 0.000 0.419 1210 E N 3.910 124.057 120.200 -0.089 0.000 2.291 1210 E HA 0.247 4.596 4.350 -0.000 0.000 0.276 1210 E C -1.500 175.080 176.600 -0.032 0.000 0.896 1210 E CA -0.494 55.880 56.400 -0.043 0.000 0.774 1210 E CB 1.035 30.656 29.700 -0.132 0.000 1.227 1210 E HN 0.367 nan 8.360 nan 0.000 0.413 1211 L N 3.919 125.111 121.223 -0.051 0.000 2.307 1211 L HA 0.507 4.847 4.340 -0.000 0.000 0.282 1211 L C -0.534 176.162 176.870 -0.290 0.000 1.051 1211 L CA -0.656 54.104 54.840 -0.132 0.000 0.804 1211 L CB 1.178 43.200 42.059 -0.062 0.000 1.197 1211 L HN 0.604 nan 8.230 nan 0.000 0.431 1212 H N 1.492 120.531 119.070 -0.052 0.000 2.572 1212 H HA 0.565 5.121 4.556 -0.000 0.000 0.359 1212 H C -1.414 173.822 175.328 -0.153 0.000 1.134 1212 H CA -0.440 55.647 56.048 0.066 0.000 1.187 1212 H CB 1.704 31.566 29.762 0.168 0.000 1.597 1212 H HN 0.305 nan 8.280 nan 0.000 0.524 1213 Y N 0.081 120.494 120.300 0.188 0.000 2.499 1213 Y HA 0.310 4.860 4.550 -0.000 0.000 0.347 1213 Y C 0.270 176.131 175.900 -0.064 0.000 0.987 1213 Y CA -1.163 56.911 58.100 -0.043 0.000 1.044 1213 Y CB 1.824 40.271 38.460 -0.021 0.000 1.245 1213 Y HN 0.669 nan 8.280 nan 0.000 0.461 1214 S N 1.226 116.825 115.700 -0.169 0.000 2.593 1214 S HA 0.207 4.677 4.470 -0.000 0.000 0.269 1214 S C -2.101 172.545 174.600 0.077 0.000 1.334 1214 S CA -0.957 57.255 58.200 0.020 0.000 1.015 1214 S CB 1.180 64.347 63.200 -0.055 0.000 0.912 1214 S HN 0.478 nan 8.310 nan 0.000 0.541 1215 P HA -0.061 nan 4.420 nan 0.000 0.221 1215 P C 0.524 177.841 177.300 0.029 0.000 1.145 1215 P CA 1.082 64.214 63.100 0.053 0.000 0.795 1215 P CB -0.038 31.689 31.700 0.046 0.000 0.775 1216 E N -1.634 118.583 120.200 0.027 0.000 2.502 1216 E HA 0.223 4.573 4.350 -0.000 0.000 0.194 1216 E C 1.373 177.981 176.600 0.014 0.000 1.062 1216 E CA 0.652 57.060 56.400 0.014 0.000 0.867 1216 E CB -0.819 28.886 29.700 0.010 0.000 0.888 1216 E HN 0.148 nan 8.360 nan 0.000 0.510 1217 G N 0.505 109.321 108.800 0.027 0.000 2.132 1217 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.234 1217 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.234 1217 G C 0.248 175.216 174.900 0.113 0.000 0.989 1217 G CA 0.335 45.462 45.100 0.045 0.000 0.676 1217 G HN 0.283 nan 8.290 nan 0.000 0.522 1218 S N -0.198 115.533 115.700 0.052 0.000 2.438 1218 S HA 0.628 5.098 4.470 -0.000 0.000 0.293 1218 S C 0.381 174.913 174.600 -0.113 0.000 1.141 1218 S CA -0.657 57.545 58.200 0.002 0.000 1.080 1218 S CB 0.891 64.061 63.200 -0.050 0.000 0.978 1218 S HN 1.230 nan 8.310 nan 0.000 0.479 1219 L N 6.749 127.928 121.223 -0.073 0.000 2.513 1219 L HA 0.250 4.590 4.340 -0.000 0.000 0.272 1219 L C 1.063 177.797 176.870 -0.226 0.000 1.187 1219 L CA 0.797 55.426 54.840 -0.351 0.000 0.895 1219 L CB 0.185 42.081 42.059 -0.273 0.000 1.147 1219 L HN 0.807 nan 8.230 nan 0.000 0.483 1220 H N 1.880 120.873 119.070 -0.128 0.000 2.399 1220 H HA 0.072 4.628 4.556 -0.000 0.000 0.300 1220 H C 0.349 175.672 175.328 -0.008 0.000 1.048 1220 H CA 1.117 57.153 56.048 -0.020 0.000 1.370 1220 H CB -0.095 29.683 29.762 0.027 0.000 1.428 1220 H HN 0.690 nan 8.280 nan 0.000 0.534 1221 T N 0.395 115.003 114.554 0.090 0.000 2.782 1221 T HA 0.377 4.727 4.350 -0.000 0.000 0.298 1221 T C 0.687 175.400 174.700 0.021 0.000 0.944 1221 T CA -0.608 61.543 62.100 0.084 0.000 1.001 1221 T CB 0.378 69.314 68.868 0.114 0.000 0.932 1221 T HN 0.233 nan 8.240 nan 0.000 0.524 1222 R N 2.167 122.708 120.500 0.068 0.000 2.659 1222 R HA 0.467 4.807 4.340 -0.000 0.000 0.418 1222 R C 0.601 176.979 176.300 0.131 0.000 1.076 1222 R CA -0.667 55.480 56.100 0.079 0.000 1.093 1222 R CB 1.231 31.590 30.300 0.098 0.000 1.400 1222 R HN 0.797 nan 8.270 nan 0.000 0.583 1223 G N 0.532 109.431 108.800 0.164 0.000 2.576 1223 G HA2 0.197 4.157 3.960 -0.000 0.000 0.290 1223 G HA3 0.197 4.157 3.960 -0.000 0.000 0.290 1223 G C -2.608 172.456 174.900 0.272 0.000 1.442 1223 G CA -0.841 44.389 45.100 0.217 0.000 0.792 1223 G HN -0.289 nan 8.290 nan 0.000 0.491 1224 P HA -0.097 nan 4.420 nan 0.000 0.225 1224 P C 1.798 179.140 177.300 0.071 0.000 1.148 1224 P CA 1.752 64.943 63.100 0.153 0.000 0.779 1224 P CB 0.210 32.021 31.700 0.186 0.000 0.780 1225 S N -0.262 115.476 115.700 0.064 0.000 2.402 1225 S HA -0.090 4.380 4.470 -0.000 0.000 0.229 1225 S C 1.830 176.447 174.600 0.028 0.000 1.021 1225 S CA 1.823 60.033 58.200 0.018 0.000 0.974 1225 S CB -1.707 61.478 63.200 -0.025 0.000 0.800 1225 S HN 0.345 nan 8.310 nan 0.000 0.484 1226 T N -3.645 110.952 114.554 0.071 0.000 2.971 1226 T HA 0.276 4.626 4.350 -0.000 0.000 0.252 1226 T C -0.104 174.694 174.700 0.162 0.000 1.022 1226 T CA -0.375 61.785 62.100 0.101 0.000 0.980 1226 T CB -0.315 68.618 68.868 0.109 0.000 1.044 1226 T HN 0.366 nan 8.240 nan 0.000 0.501 1227 Y N 2.939 123.245 120.300 0.009 0.000 2.345 1227 Y HA 0.542 5.092 4.550 -0.000 0.000 0.331 1227 Y C -1.034 174.806 175.900 -0.100 0.000 0.959 1227 Y CA -1.778 56.307 58.100 -0.025 0.000 1.204 1227 Y CB 0.999 39.465 38.460 0.010 0.000 1.135 1227 Y HN -0.158 nan 8.280 nan 0.000 0.477 1228 K N 8.811 128.935 120.400 -0.460 0.000 2.292 1228 K HA 0.322 4.642 4.320 -0.000 0.000 0.270 1228 K C -0.174 176.119 176.600 -0.512 0.000 1.062 1228 K CA -0.361 55.693 56.287 -0.389 0.000 0.916 1228 K CB 0.686 33.057 32.500 -0.214 0.000 1.166 1228 K HN 0.827 nan 8.250 nan 0.000 0.458 1229 I N -0.678 119.605 120.570 -0.478 0.000 2.970 1229 I HA 0.448 4.618 4.170 -0.000 0.000 0.310 1229 I C -2.195 173.812 176.117 -0.183 0.000 1.010 1229 I CA -2.760 58.321 61.300 -0.366 0.000 1.228 1229 I CB 0.391 38.180 38.000 -0.350 0.000 1.433 1229 I HN 0.148 nan 8.210 nan 0.000 0.573 1230 P HA 0.129 nan 4.420 nan 0.000 0.265 1230 P C -0.850 176.517 177.300 0.112 0.000 1.193 1230 P CA 0.152 63.263 63.100 0.017 0.000 0.765 1230 P CB 0.703 32.451 31.700 0.080 0.000 0.823 1231 A N 2.403 125.198 122.820 -0.042 0.000 2.282 1231 A HA 0.478 4.798 4.320 -0.000 0.000 0.324 1231 A C 0.732 177.901 177.584 -0.693 0.000 1.119 1231 A CA -0.475 51.446 52.037 -0.194 0.000 0.880 1231 A CB -0.070 18.907 19.000 -0.037 0.000 1.294 1231 A HN 0.420 nan 8.150 nan 0.000 0.493 1232 F N 0.592 119.944 119.950 -0.996 0.000 2.115 1232 F HA -0.141 4.386 4.527 -0.000 0.000 0.300 1232 F C 2.508 178.124 175.800 -0.306 0.000 1.092 1232 F CA 2.571 60.053 58.000 -0.863 0.000 1.245 1232 F CB -0.379 38.445 39.000 -0.293 0.000 0.995 1232 F HN 0.635 nan 8.300 nan 0.000 0.481 1233 G N -1.950 106.877 108.800 0.045 0.000 2.848 1233 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.208 1233 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.208 1233 G C 1.522 176.427 174.900 0.007 0.000 1.152 1233 G CA 0.761 45.912 45.100 0.084 0.000 0.789 1233 G HN 0.344 nan 8.290 nan 0.000 0.531 1234 S N 0.102 115.770 115.700 -0.053 0.000 2.478 1234 S HA 0.147 4.617 4.470 -0.000 0.000 0.222 1234 S C 1.249 175.840 174.600 -0.014 0.000 1.008 1234 S CA -0.276 57.891 58.200 -0.055 0.000 0.928 1234 S CB -0.086 63.080 63.200 -0.057 0.000 0.781 1234 S HN 0.617 nan 8.310 nan 0.000 0.518 1235 I N 1.116 121.700 120.570 0.024 0.000 2.938 1235 I HA 0.283 4.453 4.170 -0.000 0.000 0.285 1235 I C -2.560 173.543 176.117 -0.023 0.000 1.182 1235 I CA -2.213 59.102 61.300 0.024 0.000 1.388 1235 I CB -0.037 38.049 38.000 0.143 0.000 1.390 1235 I HN -0.134 nan 8.210 nan 0.000 0.600 1236 P HA 0.023 nan 4.420 nan 0.000 0.264 1236 P C 0.430 177.742 177.300 0.021 0.000 1.193 1236 P CA -0.011 63.032 63.100 -0.096 0.000 0.763 1236 P CB 0.741 32.294 31.700 -0.244 0.000 0.810 1237 T N 1.328 115.931 114.554 0.082 0.000 2.699 1237 T HA -0.191 4.159 4.350 -0.000 0.000 0.268 1237 T C 0.726 175.520 174.700 0.156 0.000 1.036 1237 T CA 1.495 63.672 62.100 0.129 0.000 1.147 1237 T CB -0.183 68.789 68.868 0.173 0.000 0.862 1237 T HN 0.529 nan 8.240 nan 0.000 0.446 1238 E N 0.192 120.475 120.200 0.139 0.000 2.114 1238 E HA 0.394 4.744 4.350 -0.000 0.000 0.266 1238 E C -1.650 175.068 176.600 0.197 0.000 0.896 1238 E CA -0.423 56.068 56.400 0.151 0.000 0.750 1238 E CB 0.446 30.209 29.700 0.105 0.000 1.121 1238 E HN 0.354 nan 8.360 nan 0.000 0.413 1239 F N 5.364 125.342 119.950 0.046 0.000 2.434 1239 F HA 0.470 4.997 4.527 -0.000 0.000 0.355 1239 F C -0.457 175.340 175.800 -0.005 0.000 1.115 1239 F CA -0.999 57.008 58.000 0.011 0.000 1.010 1239 F CB 0.760 39.785 39.000 0.042 0.000 1.234 1239 F HN 0.325 nan 8.300 nan 0.000 0.439 1240 R N 4.879 125.526 120.500 0.245 0.000 2.562 1240 R HA 0.706 5.046 4.340 -0.000 0.000 0.298 1240 R C -1.529 174.749 176.300 -0.037 0.000 0.961 1240 R CA -1.016 55.111 56.100 0.045 0.000 0.881 1240 R CB 2.806 33.133 30.300 0.045 0.000 1.159 1240 R HN 0.329 nan 8.270 nan 0.000 0.450 1241 V N 1.618 121.473 119.914 -0.099 0.000 2.638 1241 V HA 0.398 4.518 4.120 -0.000 0.000 0.306 1241 V C -0.638 175.435 176.094 -0.034 0.000 1.052 1241 V CA -0.710 61.529 62.300 -0.103 0.000 0.885 1241 V CB 2.206 33.910 31.823 -0.198 0.000 0.999 1241 V HN 0.786 nan 8.190 nan 0.000 0.424 1242 S N 5.082 120.776 115.700 -0.011 0.000 2.532 1242 S HA 0.705 5.175 4.470 -0.000 0.000 0.299 1242 S C -0.722 173.898 174.600 0.033 0.000 1.105 1242 S CA -0.600 57.611 58.200 0.019 0.000 1.018 1242 S CB 1.572 64.777 63.200 0.008 0.000 1.021 1242 S HN 0.536 nan 8.310 nan 0.000 0.483 1243 L N 3.039 124.300 121.223 0.063 0.000 2.275 1243 L HA 0.425 4.765 4.340 -0.000 0.000 0.288 1243 L C -0.239 176.665 176.870 0.057 0.000 1.046 1243 L CA -0.975 53.902 54.840 0.063 0.000 0.805 1243 L CB 0.869 42.978 42.059 0.083 0.000 1.193 1243 L HN 0.491 nan 8.230 nan 0.000 0.426 1244 L N 4.728 125.980 121.223 0.049 0.000 2.578 1244 L HA -0.003 4.337 4.340 -0.000 0.000 0.279 1244 L C 0.469 177.360 176.870 0.036 0.000 1.227 1244 L CA 0.823 55.686 54.840 0.039 0.000 0.900 1244 L CB 0.057 42.142 42.059 0.043 0.000 1.144 1244 L HN 0.500 nan 8.230 nan 0.000 0.496 1245 R N 4.040 124.553 120.500 0.023 0.000 2.500 1245 R HA 0.230 4.570 4.340 -0.000 0.000 0.275 1245 R C -0.298 176.010 176.300 0.014 0.000 1.051 1245 R CA -0.646 55.464 56.100 0.017 0.000 1.088 1245 R CB 0.424 30.725 30.300 0.002 0.000 1.063 1245 R HN 0.702 nan 8.270 nan 0.000 0.511 1246 D N 0.804 121.211 120.400 0.011 0.000 2.803 1246 D HA -0.148 4.492 4.640 -0.000 0.000 0.233 1246 D C -0.332 175.974 176.300 0.010 0.000 1.182 1246 D CA 0.975 54.980 54.000 0.008 0.000 0.726 1246 D CB -0.957 39.845 40.800 0.004 0.000 0.987 1246 D HN 0.729 nan 8.370 nan 0.000 0.412 1247 C N -1.305 118.003 119.300 0.013 0.000 3.246 1247 C HA 0.355 4.815 4.460 -0.000 0.000 0.204 1247 C C -2.131 172.862 174.990 0.005 0.000 1.879 1247 C CA -1.721 57.306 59.018 0.014 0.000 1.318 1247 C CB 0.339 28.095 27.740 0.026 0.000 2.288 1247 C HN 0.153 nan 8.230 nan 0.000 0.530 1248 P HA 0.079 nan 4.420 nan 0.000 0.266 1248 P C -0.584 176.690 177.300 -0.044 0.000 1.195 1248 P CA 0.808 63.896 63.100 -0.019 0.000 0.768 1248 P CB 0.738 32.431 31.700 -0.012 0.000 0.838 1249 N N 2.225 120.873 118.700 -0.085 0.000 2.558 1249 N HA 0.079 4.819 4.740 -0.000 0.000 0.242 1249 N C 1.127 176.539 175.510 -0.163 0.000 0.979 1249 N CA -0.694 52.259 53.050 -0.163 0.000 0.931 1249 N CB 0.724 39.033 38.487 -0.296 0.000 1.122 1249 N HN 0.258 nan 8.380 nan 0.000 0.508 1250 K N 2.200 122.527 120.400 -0.120 0.000 2.442 1250 K HA -0.017 4.303 4.320 -0.000 0.000 0.198 1250 K C 0.436 176.975 176.600 -0.102 0.000 1.042 1250 K CA 0.754 56.986 56.287 -0.092 0.000 0.958 1250 K CB 0.136 32.602 32.500 -0.056 0.000 0.766 1250 K HN 0.253 nan 8.250 nan 0.000 0.474 1251 K N 0.552 120.848 120.400 -0.174 0.000 2.418 1251 K HA 0.154 4.474 4.320 -0.000 0.000 0.195 1251 K C 0.548 177.163 176.600 0.026 0.000 1.035 1251 K CA 0.477 56.692 56.287 -0.120 0.000 1.003 1251 K CB 0.530 32.821 32.500 -0.348 0.000 0.793 1251 K HN 0.317 nan 8.250 nan 0.000 0.494 1252 A N 0.912 123.657 122.820 -0.125 0.000 2.527 1252 A HA 0.469 4.789 4.320 -0.000 0.000 0.293 1252 A C -0.733 176.739 177.584 -0.187 0.000 1.117 1252 A CA -0.926 51.050 52.037 -0.100 0.000 0.723 1252 A CB 0.937 19.896 19.000 -0.068 0.000 1.313 1252 A HN 0.128 nan 8.150 nan 0.000 0.411 1253 I N 1.132 121.542 120.570 -0.266 0.000 3.015 1253 I HA -0.034 4.136 4.170 -0.000 0.000 0.309 1253 I C 0.178 176.148 176.117 -0.245 0.000 1.229 1253 I CA 1.447 62.499 61.300 -0.413 0.000 1.430 1253 I CB -1.169 36.576 38.000 -0.424 0.000 1.347 1253 I HN 0.642 nan 8.210 nan 0.000 0.544 1254 Y N 5.607 125.794 120.300 -0.189 0.000 3.491 1254 Y HA -0.285 4.265 4.550 -0.000 0.000 0.215 1254 Y C 1.424 177.263 175.900 -0.101 0.000 1.219 1254 Y CA 0.461 58.483 58.100 -0.130 0.000 1.485 1254 Y CB -1.793 36.609 38.460 -0.097 0.000 1.450 1254 Y HN 1.081 nan 8.280 nan 0.000 0.603 1255 A N -1.190 121.629 122.820 -0.002 0.000 2.887 1255 A HA -0.263 4.057 4.320 -0.000 0.000 0.257 1255 A C 0.983 178.537 177.584 -0.049 0.000 1.372 1255 A CA 1.120 53.134 52.037 -0.038 0.000 0.879 1255 A CB -1.950 17.044 19.000 -0.009 0.000 1.082 1255 A HN 1.257 nan 8.150 nan 0.000 0.703 1256 S N -1.133 114.541 115.700 -0.044 0.000 2.671 1256 S HA 0.810 5.280 4.470 -0.000 0.000 0.272 1256 S C -0.072 174.485 174.600 -0.072 0.000 1.174 1256 S CA -0.111 58.070 58.200 -0.032 0.000 1.004 1256 S CB 1.492 64.694 63.200 0.003 0.000 1.077 1256 S HN 0.576 nan 8.310 nan 0.000 0.553 1257 K N -0.595 119.805 120.400 -0.000 0.000 2.508 1257 K HA 0.634 4.954 4.320 -0.000 0.000 0.260 1257 K C -0.904 175.791 176.600 0.157 0.000 0.949 1257 K CA -0.853 55.490 56.287 0.092 0.000 0.834 1257 K CB 2.253 34.814 32.500 0.102 0.000 1.365 1257 K HN 0.846 nan 8.250 nan 0.000 0.437 1258 A N 1.036 124.011 122.820 0.258 0.000 2.498 1258 A HA 0.186 4.506 4.320 -0.000 0.000 0.239 1258 A C 0.511 178.137 177.584 0.069 0.000 1.068 1258 A CA 0.010 52.116 52.037 0.116 0.000 0.766 1258 A CB 0.579 19.613 19.000 0.057 0.000 1.003 1258 A HN 0.509 nan 8.150 nan 0.000 0.497 1259 V N 2.575 122.502 119.914 0.021 0.000 3.426 1259 V HA 0.216 4.336 4.120 -0.000 0.000 0.279 1259 V C 1.765 177.841 176.094 -0.030 0.000 1.544 1259 V CA 1.403 63.704 62.300 0.001 0.000 1.017 1259 V CB -0.293 31.535 31.823 0.010 0.000 0.821 1259 V HN 1.145 nan 8.190 nan 0.000 0.432 1260 G N 0.654 109.434 108.800 -0.034 0.000 2.586 1260 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.218 1260 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.218 1260 G C 1.186 176.046 174.900 -0.067 0.000 1.216 1260 G CA 1.715 46.796 45.100 -0.032 0.000 0.786 1260 G HN 0.613 nan 8.290 nan 0.000 0.583 1261 E N 0.408 120.488 120.200 -0.200 0.000 2.251 1261 E HA 0.037 4.387 4.350 -0.000 0.000 0.194 1261 E C -0.165 176.051 176.600 -0.640 0.000 0.964 1261 E CA 0.012 56.179 56.400 -0.388 0.000 0.868 1261 E CB -0.026 29.350 29.700 -0.541 0.000 0.828 1261 E HN 0.301 nan 8.360 nan 0.000 0.481 1262 P HA -0.180 nan 4.420 nan 0.000 0.218 1262 P C -1.666 175.565 177.300 -0.116 0.000 1.154 1262 P CA 1.890 64.708 63.100 -0.470 0.000 0.872 1262 P CB -0.769 30.842 31.700 -0.149 0.000 0.790 1263 P HA -0.024 nan 4.420 nan 0.000 0.229 1263 P C 1.537 178.939 177.300 0.169 0.000 1.160 1263 P CA 0.562 63.729 63.100 0.112 0.000 0.777 1263 P CB -0.398 31.375 31.700 0.121 0.000 0.814 1264 L N -1.318 119.959 121.223 0.089 0.000 2.042 1264 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 1264 L C 2.139 179.122 176.870 0.189 0.000 1.076 1264 L CA 1.598 56.502 54.840 0.106 0.000 0.749 1264 L CB -0.641 41.444 42.059 0.043 0.000 0.893 1264 L HN -0.096 nan 8.230 nan 0.000 0.432 1265 F N 0.086 120.116 119.950 0.134 0.000 2.365 1265 F HA -0.156 4.371 4.527 -0.000 0.000 0.300 1265 F C 1.881 177.831 175.800 0.250 0.000 1.090 1265 F CA 1.145 59.293 58.000 0.247 0.000 1.408 1265 F CB -0.256 38.870 39.000 0.210 0.000 1.060 1265 F HN -0.001 nan 8.300 nan 0.000 0.534 1266 L N -0.198 121.090 121.223 0.109 0.000 2.353 1266 L HA -0.146 4.194 4.340 -0.000 0.000 0.220 1266 L C 2.583 179.531 176.870 0.130 0.000 1.133 1266 L CA 0.949 55.869 54.840 0.134 0.000 0.798 1266 L CB -1.457 40.817 42.059 0.359 0.000 0.922 1266 L HN 0.330 nan 8.230 nan 0.000 0.445 1267 G N -0.319 108.404 108.800 -0.128 0.000 2.509 1267 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.218 1267 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.218 1267 G C 1.706 176.474 174.900 -0.220 0.000 1.124 1267 G CA 0.645 45.414 45.100 -0.552 0.000 0.776 1267 G HN 0.468 nan 8.290 nan 0.000 0.547 1268 A N 1.344 123.929 122.820 -0.392 0.000 2.121 1268 A HA 0.036 4.356 4.320 -0.000 0.000 0.218 1268 A C 2.644 180.165 177.584 -0.106 0.000 1.154 1268 A CA 1.959 53.600 52.037 -0.659 0.000 0.679 1268 A CB -0.502 17.748 19.000 -1.248 0.000 0.795 1268 A HN 0.633 nan 8.150 nan 0.000 0.458 1269 S N -0.260 115.430 115.700 -0.016 0.000 2.400 1269 S HA -0.138 4.332 4.470 -0.000 0.000 0.232 1269 S C 1.669 176.358 174.600 0.149 0.000 1.025 1269 S CA 1.442 59.728 58.200 0.143 0.000 0.993 1269 S CB -0.859 62.450 63.200 0.183 0.000 0.808 1269 S HN 0.270 nan 8.310 nan 0.000 0.478 1270 V N 1.040 121.011 119.914 0.094 0.000 2.358 1270 V HA -0.056 4.064 4.120 -0.000 0.000 0.246 1270 V C 2.067 178.151 176.094 -0.016 0.000 1.047 1270 V CA 1.855 64.189 62.300 0.057 0.000 1.035 1270 V CB -1.064 30.782 31.823 0.037 0.000 0.658 1270 V HN 0.532 nan 8.190 nan 0.000 0.452 1271 F N 0.769 120.602 119.950 -0.194 0.000 2.069 1271 F HA -0.230 4.297 4.527 -0.000 0.000 0.298 1271 F C 2.018 177.596 175.800 -0.369 0.000 1.113 1271 F CA 1.950 59.751 58.000 -0.333 0.000 1.214 1271 F CB -0.381 38.295 39.000 -0.540 0.000 0.978 1271 F HN 0.141 nan 8.300 nan 0.000 0.474 1272 F N 0.031 120.044 119.950 0.105 0.000 2.407 1272 F HA 0.026 4.553 4.527 0.000 0.000 0.299 1272 F C 2.401 178.172 175.800 -0.049 0.000 1.097 1272 F CA 0.677 58.690 58.000 0.021 0.000 1.422 1272 F CB -0.965 38.080 39.000 0.075 0.000 1.067 1272 F HN 0.082 nan 8.300 nan 0.000 0.539 1273 A N 0.506 123.373 122.820 0.079 0.000 1.898 1273 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 1273 A C 2.197 179.754 177.584 -0.045 0.000 1.181 1273 A CA 1.291 53.352 52.037 0.040 0.000 0.620 1273 A CB -0.912 18.113 19.000 0.041 0.000 0.819 1273 A HN 0.355 nan 8.150 nan 0.000 0.442 1274 I N -0.493 119.979 120.570 -0.164 0.000 2.226 1274 I HA -0.279 3.891 4.170 -0.000 0.000 0.245 1274 I C 2.561 178.568 176.117 -0.184 0.000 1.100 1274 I CA 1.860 63.019 61.300 -0.235 0.000 1.374 1274 I CB -0.222 37.522 38.000 -0.427 0.000 1.057 1274 I HN 0.364 nan 8.210 nan 0.000 0.413 1275 K N 0.769 121.018 120.400 -0.252 0.000 2.057 1275 K HA -0.279 4.041 4.320 -0.000 0.000 0.207 1275 K C 1.806 178.454 176.600 0.080 0.000 1.049 1275 K CA 2.144 58.378 56.287 -0.089 0.000 0.931 1275 K CB -0.128 32.273 32.500 -0.165 0.000 0.714 1275 K HN 0.182 nan 8.250 nan 0.000 0.440 1276 D N -0.071 120.364 120.400 0.058 0.000 2.123 1276 D HA -0.137 4.503 4.640 -0.000 0.000 0.196 1276 D C 1.639 177.981 176.300 0.071 0.000 0.992 1276 D CA 1.517 55.567 54.000 0.084 0.000 0.833 1276 D CB -0.041 40.804 40.800 0.075 0.000 0.954 1276 D HN 0.323 nan 8.370 nan 0.000 0.455 1277 A N 0.047 122.890 122.820 0.039 0.000 1.898 1277 A HA -0.082 4.238 4.320 -0.000 0.000 0.216 1277 A C 2.451 180.059 177.584 0.041 0.000 1.181 1277 A CA 1.088 53.149 52.037 0.040 0.000 0.620 1277 A CB -0.729 18.285 19.000 0.024 0.000 0.819 1277 A HN 0.375 nan 8.150 nan 0.000 0.442 1278 I N -0.838 119.756 120.570 0.040 0.000 2.286 1278 I HA -0.262 3.908 4.170 -0.000 0.000 0.248 1278 I C 2.717 178.833 176.117 -0.001 0.000 1.115 1278 I CA 1.200 62.502 61.300 0.004 0.000 1.392 1278 I CB -0.353 37.654 38.000 0.011 0.000 1.065 1278 I HN 0.302 nan 8.210 nan 0.000 0.418 1279 R N 0.788 121.369 120.500 0.135 0.000 2.105 1279 R HA -0.147 4.193 4.340 -0.000 0.000 0.239 1279 R C 2.438 178.769 176.300 0.051 0.000 1.135 1279 R CA 1.488 57.680 56.100 0.154 0.000 0.967 1279 R CB -0.456 29.976 30.300 0.220 0.000 0.861 1279 R HN 0.372 nan 8.270 nan 0.000 0.442 1280 A N 1.220 124.063 122.820 0.038 0.000 1.930 1280 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 1280 A C 2.362 179.921 177.584 -0.041 0.000 1.175 1280 A CA 1.558 53.598 52.037 0.005 0.000 0.627 1280 A CB -0.488 18.526 19.000 0.024 0.000 0.815 1280 A HN 0.386 nan 8.150 nan 0.000 0.443 1281 A N -0.049 122.751 122.820 -0.032 0.000 1.898 1281 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 1281 A C 2.224 179.766 177.584 -0.069 0.000 1.181 1281 A CA 1.437 53.445 52.037 -0.048 0.000 0.620 1281 A CB -0.433 18.569 19.000 0.003 0.000 0.819 1281 A HN 0.541 nan 8.150 nan 0.000 0.442 1282 R N -0.482 119.971 120.500 -0.079 0.000 2.115 1282 R HA -0.015 4.325 4.340 -0.000 0.000 0.230 1282 R C 2.302 178.564 176.300 -0.064 0.000 1.111 1282 R CA 1.036 57.085 56.100 -0.085 0.000 0.976 1282 R CB -0.377 29.835 30.300 -0.147 0.000 0.870 1282 R HN 0.502 nan 8.270 nan 0.000 0.445 1283 A N 0.678 123.460 122.820 -0.063 0.000 2.014 1283 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 1283 A C 2.064 179.572 177.584 -0.128 0.000 1.163 1283 A CA 1.057 53.057 52.037 -0.063 0.000 0.652 1283 A CB -0.193 18.783 19.000 -0.040 0.000 0.808 1283 A HN 0.199 nan 8.150 nan 0.000 0.449 1284 Q N -0.202 119.472 119.800 -0.211 0.000 2.020 1284 Q HA -0.127 4.213 4.340 -0.000 0.000 0.198 1284 Q C 0.965 176.651 176.000 -0.523 0.000 0.974 1284 Q CA 2.184 57.731 55.803 -0.428 0.000 0.829 1284 Q CB -0.279 28.092 28.738 -0.612 0.000 0.894 1284 Q HN 0.795 nan 8.270 nan 0.000 0.433 1285 H N -1.319 117.666 119.070 -0.142 0.000 2.674 1285 H HA 0.409 4.965 4.556 -0.000 0.000 0.274 1285 H C -0.655 174.629 175.328 -0.074 0.000 1.121 1285 H CA 0.096 56.073 56.048 -0.117 0.000 1.132 1285 H CB 0.936 30.620 29.762 -0.131 0.000 1.606 1285 H HN 0.094 nan 8.280 nan 0.000 0.558 1286 T N -1.940 112.621 114.554 0.011 0.000 2.669 1286 T HA 0.118 4.468 4.350 -0.000 0.000 0.283 1286 T C 0.885 175.580 174.700 -0.008 0.000 1.019 1286 T CA -0.711 61.390 62.100 0.001 0.000 1.039 1286 T CB 1.522 70.381 68.868 -0.016 0.000 1.374 1286 T HN 0.262 nan 8.240 nan 0.000 0.523 1287 N N 1.643 120.343 118.700 -0.001 0.000 1.313 1287 N HA -0.397 4.343 4.740 -0.000 0.000 0.108 1287 N C -0.035 175.480 175.510 0.008 0.000 0.342 1287 N CA 2.034 55.089 53.050 0.010 0.000 0.803 1287 N CB -0.451 38.051 38.487 0.025 0.000 0.598 1287 N HN 0.741 nan 8.380 nan 0.000 1.412 1288 N N -1.506 117.198 118.700 0.007 0.000 2.994 1288 N HA -0.154 4.586 4.740 -0.000 0.000 0.246 1288 N C -0.115 175.406 175.510 0.018 0.000 1.061 1288 N CA 0.522 53.575 53.050 0.004 0.000 0.845 1288 N CB -1.837 36.648 38.487 -0.004 0.000 1.119 1288 N HN 0.524 nan 8.380 nan 0.000 0.551 1289 N N 1.191 119.910 118.700 0.032 0.000 2.354 1289 N HA -0.087 4.653 4.740 -0.000 0.000 0.179 1289 N C 0.612 176.151 175.510 0.048 0.000 1.021 1289 N CA 2.048 55.123 53.050 0.041 0.000 0.887 1289 N CB 0.202 38.721 38.487 0.053 0.000 0.974 1289 N HN 0.376 nan 8.380 nan 0.000 0.437 1290 T N -0.258 114.328 114.554 0.053 0.000 12.380 1290 T HA -0.229 4.121 4.350 -0.000 0.000 0.415 1290 T C 0.974 175.719 174.700 0.075 0.000 1.471 1290 T CA 1.887 64.022 62.100 0.058 0.000 2.420 1290 T CB -0.986 67.909 68.868 0.045 0.000 2.818 1290 T HN 0.367 nan 8.240 nan 0.000 0.798 1291 K N 1.468 121.913 120.400 0.075 0.000 2.387 1291 K HA 0.196 4.516 4.320 -0.000 0.000 0.198 1291 K C 0.635 177.294 176.600 0.098 0.000 1.022 1291 K CA -0.151 56.188 56.287 0.086 0.000 1.128 1291 K CB 0.353 32.902 32.500 0.082 0.000 0.853 1291 K HN 0.470 nan 8.250 nan 0.000 0.523 1292 E N 1.778 122.041 120.200 0.104 0.000 2.413 1292 E HA 0.021 4.371 4.350 -0.000 0.000 0.263 1292 E C -0.871 175.824 176.600 0.157 0.000 1.015 1292 E CA 0.294 56.768 56.400 0.123 0.000 0.916 1292 E CB 0.563 30.337 29.700 0.123 0.000 0.947 1292 E HN 0.135 nan 8.360 nan 0.000 0.440 1293 L N 5.490 126.802 121.223 0.148 0.000 2.341 1293 L HA 0.467 4.807 4.340 -0.000 0.000 0.278 1293 L C -0.346 176.633 176.870 0.181 0.000 1.005 1293 L CA -1.061 53.850 54.840 0.119 0.000 0.818 1293 L CB 0.875 42.986 42.059 0.088 0.000 1.259 1293 L HN 0.423 nan 8.230 nan 0.000 0.418 1294 F N 0.521 120.526 119.950 0.091 0.000 2.551 1294 F HA 0.662 5.189 4.527 -0.000 0.000 0.316 1294 F C -0.316 175.551 175.800 0.112 0.000 1.089 1294 F CA -1.209 56.843 58.000 0.087 0.000 0.915 1294 F CB 1.218 40.257 39.000 0.065 0.000 1.186 1294 F HN 0.371 nan 8.300 nan 0.000 0.456 1295 R N 3.284 123.901 120.500 0.195 0.000 2.389 1295 R HA 0.598 4.938 4.340 -0.000 0.000 0.295 1295 R C -1.765 174.679 176.300 0.240 0.000 1.075 1295 R CA -0.604 55.584 56.100 0.147 0.000 1.005 1295 R CB 0.979 31.391 30.300 0.186 0.000 0.987 1295 R HN 0.887 nan 8.270 nan 0.000 0.452 1296 L N 5.075 126.412 121.223 0.191 0.000 2.471 1296 L HA 0.368 4.708 4.340 -0.000 0.000 0.263 1296 L C -1.348 175.789 176.870 0.445 0.000 0.985 1296 L CA -0.447 54.575 54.840 0.305 0.000 0.868 1296 L CB 1.435 43.628 42.059 0.223 0.000 1.203 1296 L HN 0.688 nan 8.230 nan 0.000 0.429 1297 D N 1.452 122.091 120.400 0.398 0.000 2.377 1297 D HA 0.259 4.899 4.640 -0.000 0.000 0.245 1297 D C -0.326 176.234 176.300 0.434 0.000 1.196 1297 D CA -0.018 54.243 54.000 0.435 0.000 0.962 1297 D CB 1.643 42.683 40.800 0.399 0.000 1.127 1297 D HN 0.444 nan 8.370 nan 0.000 0.471 1298 S N 0.177 116.009 115.700 0.221 0.000 2.525 1298 S HA 0.507 4.977 4.470 -0.000 0.000 0.290 1298 S C -2.657 171.956 174.600 0.023 0.000 1.152 1298 S CA -1.464 56.719 58.200 -0.029 0.000 1.072 1298 S CB 1.327 64.098 63.200 -0.716 0.000 1.027 1298 S HN 0.160 nan 8.310 nan 0.000 0.500 1299 P HA 0.276 nan 4.420 nan 0.000 0.282 1299 P C -1.207 176.191 177.300 0.162 0.000 1.249 1299 P CA -0.554 62.582 63.100 0.060 0.000 0.806 1299 P CB 0.972 32.656 31.700 -0.026 0.000 0.984 1300 A N 2.646 125.612 122.820 0.243 0.000 2.990 1300 A HA 0.345 4.665 4.320 -0.000 0.000 0.282 1300 A C 1.021 178.596 177.584 -0.015 0.000 1.688 1300 A CA -0.170 51.920 52.037 0.088 0.000 1.391 1300 A CB -1.437 17.475 19.000 -0.148 0.000 1.112 1300 A HN 0.612 nan 8.150 nan 0.000 0.588 1301 T N -0.900 113.647 114.554 -0.013 0.000 2.754 1301 T HA 0.345 4.695 4.350 -0.000 0.000 0.286 1301 T C -1.689 172.944 174.700 -0.112 0.000 0.997 1301 T CA -1.343 60.731 62.100 -0.044 0.000 0.982 1301 T CB 0.440 69.284 68.868 -0.039 0.000 1.027 1301 T HN 0.151 nan 8.240 nan 0.000 0.529 1302 P HA -0.122 nan 4.420 nan 0.000 0.216 1302 P C 1.530 178.487 177.300 -0.572 0.000 1.150 1302 P CA 1.210 64.227 63.100 -0.137 0.000 0.843 1302 P CB 0.045 31.774 31.700 0.048 0.000 0.787 1303 E N 0.380 120.035 120.200 -0.908 0.000 2.031 1303 E HA -0.235 4.115 4.350 -0.000 0.000 0.193 1303 E C 1.718 177.941 176.600 -0.628 0.000 0.994 1303 E CA 1.412 56.952 56.400 -1.433 0.000 0.800 1303 E CB -0.200 29.041 29.700 -0.764 0.000 0.752 1303 E HN 0.155 nan 8.360 nan 0.000 0.447 1304 K N 0.149 120.368 120.400 -0.302 0.000 2.097 1304 K HA -0.083 4.237 4.320 -0.000 0.000 0.205 1304 K C 2.309 178.846 176.600 -0.105 0.000 1.050 1304 K CA 1.255 57.468 56.287 -0.122 0.000 0.938 1304 K CB -0.102 32.389 32.500 -0.015 0.000 0.718 1304 K HN 0.269 nan 8.250 nan 0.000 0.442 1305 I N 0.698 121.189 120.570 -0.132 0.000 2.142 1305 I HA -0.267 3.903 4.170 -0.000 0.000 0.240 1305 I C 2.630 178.713 176.117 -0.057 0.000 1.078 1305 I CA 1.041 62.289 61.300 -0.087 0.000 1.343 1305 I CB -0.196 37.760 38.000 -0.075 0.000 1.046 1305 I HN 0.070 nan 8.210 nan 0.000 0.405 1306 R N 1.719 122.182 120.500 -0.061 0.000 2.073 1306 R HA -0.148 4.192 4.340 -0.000 0.000 0.234 1306 R C 1.951 178.277 176.300 0.044 0.000 1.134 1306 R CA 1.757 57.889 56.100 0.052 0.000 0.952 1306 R CB -0.572 29.870 30.300 0.237 0.000 0.850 1306 R HN 0.298 nan 8.270 nan 0.000 0.433 1307 N N 0.294 118.990 118.700 -0.006 0.000 2.223 1307 N HA -0.117 4.623 4.740 -0.000 0.000 0.185 1307 N C 1.325 176.824 175.510 -0.017 0.000 1.016 1307 N CA 1.493 54.552 53.050 0.016 0.000 0.863 1307 N CB -0.337 38.151 38.487 0.001 0.000 0.983 1307 N HN 0.390 nan 8.380 nan 0.000 0.429 1308 A N -0.191 122.594 122.820 -0.059 0.000 2.066 1308 A HA -0.009 4.311 4.320 -0.000 0.000 0.218 1308 A C 1.289 178.761 177.584 -0.187 0.000 1.157 1308 A CA 0.326 52.268 52.037 -0.159 0.000 0.670 1308 A CB -0.270 18.611 19.000 -0.199 0.000 0.804 1308 A HN 0.347 nan 8.150 nan 0.000 0.453 1309 C N 1.890 121.147 119.300 -0.072 0.000 3.057 1309 C HA 0.372 4.832 4.460 -0.000 0.000 0.563 1309 C C 0.704 175.716 174.990 0.036 0.000 1.129 1309 C CA -1.120 57.891 59.018 -0.012 0.000 1.284 1309 C CB -2.393 25.389 27.740 0.070 0.000 1.532 1309 C HN 0.322 nan 8.230 nan 0.000 0.631 1310 V N 4.076 123.981 119.914 -0.015 0.000 2.584 1310 V HA 0.120 4.240 4.120 -0.000 0.000 0.303 1310 V C 0.345 176.464 176.094 0.042 0.000 1.035 1310 V CA 1.129 63.434 62.300 0.008 0.000 1.172 1310 V CB -0.108 31.701 31.823 -0.024 0.000 0.896 1310 V HN 0.864 nan 8.190 nan 0.000 0.486 1311 D N 2.900 123.322 120.400 0.037 0.000 2.946 1311 D HA 0.243 4.883 4.640 -0.000 0.000 0.337 1311 D C 0.624 176.849 176.300 -0.125 0.000 1.332 1311 D CA -0.465 53.526 54.000 -0.013 0.000 0.935 1311 D CB 0.653 41.480 40.800 0.046 0.000 1.440 1311 D HN 0.337 nan 8.370 nan 0.000 0.540 1312 K N -0.455 119.748 120.400 -0.328 0.000 2.360 1312 K HA -0.009 4.311 4.320 -0.000 0.000 0.201 1312 K C 1.092 177.361 176.600 -0.552 0.000 1.046 1312 K CA 1.120 57.116 56.287 -0.485 0.000 0.945 1312 K CB -0.486 31.616 32.500 -0.664 0.000 0.750 1312 K HN 0.309 nan 8.250 nan 0.000 0.464 1313 F N 2.299 122.166 119.950 -0.138 0.000 2.220 1313 F HA -0.048 4.479 4.527 -0.000 0.000 0.290 1313 F C 2.938 178.684 175.800 -0.089 0.000 1.080 1313 F CA 1.097 59.014 58.000 -0.139 0.000 1.318 1313 F CB -0.809 38.081 39.000 -0.183 0.000 1.063 1313 F HN 0.101 nan 8.300 nan 0.000 0.498 1314 T N -2.789 111.836 114.554 0.118 0.000 2.788 1314 T HA -0.175 4.175 4.350 -0.000 0.000 0.268 1314 T C 1.752 176.462 174.700 0.016 0.000 1.044 1314 T CA 1.895 64.033 62.100 0.063 0.000 1.139 1314 T CB -1.178 67.726 68.868 0.060 0.000 0.867 1314 T HN 0.160 nan 8.240 nan 0.000 0.454 1315 T N 1.409 115.953 114.554 -0.016 0.000 3.051 1315 T HA 0.152 4.502 4.350 -0.000 0.000 0.269 1315 T C 1.304 175.981 174.700 -0.039 0.000 1.127 1315 T CA 0.571 62.651 62.100 -0.035 0.000 1.107 1315 T CB -0.267 68.565 68.868 -0.061 0.000 0.898 1315 T HN 0.213 nan 8.240 nan 0.000 0.517 1316 L N -0.732 120.470 121.223 -0.035 0.000 2.693 1316 L HA 0.376 4.716 4.340 -0.000 0.000 0.235 1316 L C 1.363 178.220 176.870 -0.022 0.000 1.127 1316 L CA 0.546 55.365 54.840 -0.036 0.000 0.914 1316 L CB 0.227 42.258 42.059 -0.045 0.000 1.193 1316 L HN 0.187 nan 8.230 nan 0.000 0.502 1317 C N -1.860 117.434 119.300 -0.011 0.000 3.364 1317 C HA 0.315 4.775 4.460 -0.000 0.000 0.340 1317 C C 0.983 175.968 174.990 -0.009 0.000 1.336 1317 C CA -0.177 58.832 59.018 -0.015 0.000 1.778 1317 C CB -0.056 27.674 27.740 -0.016 0.000 2.398 1317 C HN 0.264 nan 8.230 nan 0.000 0.667 1318 V N 1.202 121.116 119.914 -0.001 0.000 2.953 1318 V HA 0.108 4.228 4.120 -0.000 0.000 0.304 1318 V C 0.375 176.469 176.094 -0.001 0.000 1.138 1318 V CA 0.701 63.004 62.300 0.005 0.000 1.266 1318 V CB -0.404 31.422 31.823 0.006 0.000 0.923 1318 V HN 0.434 nan 8.190 nan 0.000 0.505 1319 T N 4.870 119.426 114.554 0.003 0.000 2.734 1319 T HA 0.436 4.786 4.350 -0.000 0.000 0.269 1319 T C 1.217 175.917 174.700 -0.000 0.000 0.964 1319 T CA 1.094 63.195 62.100 0.001 0.000 1.226 1319 T CB -0.494 68.377 68.868 0.005 0.000 0.910 1319 T HN 1.996 nan 8.240 nan 0.000 0.534 1320 G N 2.205 111.003 108.800 -0.004 0.000 2.168 1320 G HA2 0.005 3.965 3.960 -0.000 0.000 0.197 1320 G HA3 0.005 3.965 3.960 -0.000 0.000 0.197 1320 G C 0.362 175.258 174.900 -0.006 0.000 0.997 1320 G CA -0.222 44.876 45.100 -0.003 0.000 0.658 1320 G HN 1.089 nan 8.290 nan 0.000 0.513 1321 A N 0.954 123.768 122.820 -0.010 0.000 2.552 1321 A HA 0.488 4.808 4.320 -0.000 0.000 0.241 1321 A C -0.715 176.858 177.584 -0.017 0.000 1.103 1321 A CA 0.414 52.443 52.037 -0.014 0.000 0.789 1321 A CB -0.307 18.682 19.000 -0.018 0.000 1.050 1321 A HN 0.535 nan 8.150 nan 0.000 0.515 1322 P HA 0.091 nan 4.420 nan 0.000 0.247 1322 P C 0.602 177.888 177.300 -0.022 0.000 1.147 1322 P CA 1.539 64.625 63.100 -0.023 0.000 0.964 1322 P CB -0.234 31.447 31.700 -0.031 0.000 0.944 1323 G N 3.586 112.376 108.800 -0.016 0.000 2.953 1323 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.109 1323 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.109 1323 G C 0.304 175.200 174.900 -0.006 0.000 1.058 1323 G CA 0.075 45.166 45.100 -0.014 0.000 1.189 1323 G HN 0.523 nan 8.290 nan 0.000 0.428 1324 N N 0.108 118.805 118.700 -0.006 0.000 2.701 1324 N HA -0.318 4.422 4.740 -0.000 0.000 0.250 1324 N C 1.263 176.777 175.510 0.007 0.000 1.046 1324 N CA 0.959 54.009 53.050 0.001 0.000 0.733 1324 N CB -1.194 37.296 38.487 0.005 0.000 0.973 1324 N HN 1.236 nan 8.380 nan 0.000 0.541 1325 C N -2.014 117.288 119.300 0.003 0.000 5.885 1325 C HA -0.310 4.150 4.460 -0.000 0.000 0.328 1325 C C 0.378 175.377 174.990 0.015 0.000 2.433 1325 C CA 1.739 60.762 59.018 0.008 0.000 2.197 1325 C CB -1.644 26.103 27.740 0.012 0.000 3.236 1325 C HN 0.930 nan 8.230 nan 0.000 0.260 1326 K N -0.859 119.557 120.400 0.026 0.000 2.132 1326 K HA 0.307 4.627 4.320 -0.000 0.000 0.377 1326 K C -3.150 173.488 176.600 0.064 0.000 1.694 1326 K CA -0.766 55.542 56.287 0.036 0.000 1.105 1326 K CB -0.605 31.917 32.500 0.038 0.000 1.396 1326 K HN 0.492 nan 8.250 nan 0.000 0.463 1327 P HA -0.016 nan 4.420 nan 0.000 0.268 1327 P C 0.156 177.542 177.300 0.145 0.000 1.205 1327 P CA -0.270 62.888 63.100 0.096 0.000 0.771 1327 P CB 0.661 32.398 31.700 0.062 0.000 0.858 1328 W N 3.319 124.615 121.300 -0.006 0.000 2.355 1328 W HA -0.080 4.580 4.660 0.000 0.000 0.309 1328 W C 0.141 176.657 176.519 -0.005 0.000 1.206 1328 W CA 1.330 58.672 57.345 -0.006 0.000 1.284 1328 W CB -0.022 29.435 29.460 -0.005 0.000 1.145 1328 W HN 0.253 nan 8.180 nan 0.000 0.502 1329 S N 0.027 115.770 115.700 0.071 0.000 2.599 1329 S HA 0.609 5.079 4.470 -0.000 0.000 0.294 1329 S C -1.695 172.887 174.600 -0.029 0.000 1.094 1329 S CA -0.639 57.497 58.200 -0.106 0.000 0.931 1329 S CB 2.267 65.435 63.200 -0.053 0.000 1.093 1329 S HN -0.096 nan 8.310 nan 0.000 0.488 1330 L N 2.331 123.515 121.223 -0.064 0.000 2.541 1330 L HA 0.445 4.785 4.340 -0.000 0.000 0.266 1330 L C -0.614 176.232 176.870 -0.039 0.000 0.966 1330 L CA -0.234 54.586 54.840 -0.034 0.000 0.871 1330 L CB 1.345 43.382 42.059 -0.037 0.000 1.232 1330 L HN 0.619 nan 8.230 nan 0.000 0.408 1331 R N 2.608 123.096 120.500 -0.021 0.000 2.585 1331 R HA 0.334 4.674 4.340 -0.000 0.000 0.275 1331 R C 0.078 176.363 176.300 -0.024 0.000 1.018 1331 R CA 0.087 56.174 56.100 -0.021 0.000 1.072 1331 R CB 0.432 30.727 30.300 -0.008 0.000 0.953 1331 R HN 0.553 nan 8.270 nan 0.000 0.419 1332 V N 0.000 119.897 119.914 -0.028 0.000 2.409 1332 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 1332 V CA 0.000 62.284 62.300 -0.027 0.000 1.235 1332 V CB 0.000 31.804 31.823 -0.032 0.000 1.184 1332 V HN 0.000 nan 8.190 nan 0.000 0.556