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 1vdv_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 0.000 177.620 177.584 0.061 0.000 1.274 3 A CA 0.000 52.068 52.037 0.051 0.000 0.836 3 A CB 0.000 19.002 19.000 0.004 0.000 0.831 4 D N 1.839 122.254 120.400 0.026 0.000 2.344 4 D HA 0.384 5.024 4.640 -0.000 0.000 0.244 4 D C -0.400 176.029 176.300 0.215 0.000 1.134 4 D CA 0.098 54.126 54.000 0.047 0.000 0.930 4 D CB 0.654 41.387 40.800 -0.111 0.000 1.175 4 D HN 0.500 nan 8.370 nan 0.000 0.437 5 E N 0.428 120.744 120.200 0.193 0.000 2.331 5 E HA 0.227 4.577 4.350 -0.000 0.000 0.272 5 E C -0.430 176.364 176.600 0.323 0.000 1.036 5 E CA -0.686 55.847 56.400 0.222 0.000 0.864 5 E CB 1.257 31.058 29.700 0.168 0.000 1.035 5 E HN 0.106 nan 8.360 nan 0.000 0.408 6 L N 3.779 125.146 121.223 0.239 0.000 2.257 6 L HA 0.251 4.590 4.340 -0.000 0.000 0.290 6 L C -1.215 175.873 176.870 0.363 0.000 1.044 6 L CA -0.478 54.511 54.840 0.248 0.000 0.810 6 L CB 1.184 43.125 42.059 -0.198 0.000 1.193 6 L HN 0.240 nan 8.230 nan 0.000 0.425 7 V N 7.389 127.650 119.914 0.579 0.000 2.407 7 V HA 0.591 4.711 4.120 -0.000 0.000 0.291 7 V C -0.283 175.989 176.094 0.297 0.000 1.018 7 V CA -0.409 62.055 62.300 0.272 0.000 0.842 7 V CB 0.766 32.731 31.823 0.237 0.000 0.996 7 V HN 0.720 nan 8.190 nan 0.000 0.426 8 F N 2.694 122.621 119.950 -0.038 0.000 2.754 8 F HA 0.893 5.420 4.527 -0.000 0.000 0.320 8 F C -1.757 173.990 175.800 -0.089 0.000 1.156 8 F CA -1.399 56.638 58.000 0.061 0.000 0.950 8 F CB 1.517 40.554 39.000 0.062 0.000 1.388 8 F HN 0.220 nan 8.300 nan 0.000 0.485 9 F N 0.859 120.837 119.950 0.047 0.000 2.546 9 F HA 0.746 5.273 4.527 -0.000 0.000 0.320 9 F C -0.636 175.172 175.800 0.013 0.000 1.076 9 F CA -1.300 56.644 58.000 -0.092 0.000 0.928 9 F CB 2.290 41.220 39.000 -0.117 0.000 1.189 9 F HN 0.351 nan 8.300 nan 0.000 0.465 10 V N 2.928 122.898 119.914 0.093 0.000 2.482 10 V HA 0.294 4.414 4.120 -0.000 0.000 0.295 10 V C -0.601 175.532 176.094 0.064 0.000 1.026 10 V CA -1.312 61.048 62.300 0.101 0.000 0.856 10 V CB 1.345 33.207 31.823 0.066 0.000 1.001 10 V HN 0.820 nan 8.190 nan 0.000 0.424 11 N N 4.048 122.786 118.700 0.064 0.000 2.727 11 N HA -0.219 4.520 4.740 -0.000 0.000 0.249 11 N C 1.243 176.778 175.510 0.041 0.000 1.048 11 N CA 1.634 54.702 53.050 0.030 0.000 0.714 11 N CB -1.067 37.421 38.487 0.003 0.000 0.959 11 N HN 1.567 nan 8.380 nan 0.000 0.544 12 G N -1.436 107.409 108.800 0.074 0.000 2.205 12 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.261 12 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.261 12 G C 0.024 175.040 174.900 0.193 0.000 0.980 12 G CA 0.851 46.003 45.100 0.087 0.000 0.632 12 G HN 0.608 nan 8.290 nan 0.000 0.533 13 K N 1.310 121.783 120.400 0.121 0.000 2.201 13 K HA 0.421 4.741 4.320 -0.000 0.000 0.278 13 K C 0.209 176.697 176.600 -0.188 0.000 1.027 13 K CA -0.588 55.707 56.287 0.013 0.000 0.909 13 K CB 0.901 33.371 32.500 -0.050 0.000 1.062 13 K HN 0.280 nan 8.250 nan 0.000 0.465 14 K N 3.094 123.235 120.400 -0.431 0.000 2.368 14 K HA 0.141 4.461 4.320 -0.000 0.000 0.282 14 K C -0.987 175.201 176.600 -0.687 0.000 1.035 14 K CA -0.398 55.234 56.287 -1.092 0.000 0.973 14 K CB 0.729 32.713 32.500 -0.861 0.000 0.957 14 K HN 0.297 nan 8.250 nan 0.000 0.474 15 V N 4.983 124.410 119.914 -0.811 0.000 2.448 15 V HA 0.288 4.407 4.120 -0.000 0.000 0.295 15 V C -0.721 175.088 176.094 -0.475 0.000 1.025 15 V CA -0.924 60.998 62.300 -0.630 0.000 0.859 15 V CB 1.817 33.054 31.823 -0.977 0.000 0.988 15 V HN 0.515 nan 8.190 nan 0.000 0.431 16 V N 3.814 123.579 119.914 -0.248 0.000 2.349 16 V HA 0.423 4.543 4.120 -0.000 0.000 0.284 16 V C -0.302 175.776 176.094 -0.026 0.000 1.014 16 V CA -0.573 61.664 62.300 -0.104 0.000 0.826 16 V CB 1.545 33.328 31.823 -0.066 0.000 1.009 16 V HN 0.916 nan 8.190 nan 0.000 0.431 17 E N 3.965 124.177 120.200 0.019 0.000 2.055 17 E HA 0.349 4.698 4.350 -0.000 0.000 0.274 17 E C 0.699 177.331 176.600 0.053 0.000 0.949 17 E CA -0.194 56.239 56.400 0.054 0.000 0.775 17 E CB 1.204 30.923 29.700 0.032 0.000 1.097 17 E HN 0.512 nan 8.360 nan 0.000 0.404 18 K N 3.037 123.473 120.400 0.059 0.000 2.366 18 K HA 0.124 4.444 4.320 -0.000 0.000 0.198 18 K C -0.004 176.641 176.600 0.075 0.000 1.044 18 K CA 0.391 56.720 56.287 0.070 0.000 0.973 18 K CB 0.319 32.854 32.500 0.057 0.000 0.767 18 K HN 0.336 nan 8.250 nan 0.000 0.475 19 N N 0.806 119.540 118.700 0.057 0.000 2.672 19 N HA 0.140 4.879 4.740 -0.000 0.000 0.295 19 N C -1.308 174.211 175.510 0.015 0.000 1.924 19 N CA -0.095 52.988 53.050 0.055 0.000 0.851 19 N CB 1.474 39.994 38.487 0.055 0.000 1.281 19 N HN 0.027 nan 8.380 nan 0.000 0.494 20 A N 0.659 123.443 122.820 -0.060 0.000 2.520 20 A HA 0.056 4.376 4.320 -0.000 0.000 0.245 20 A C 0.260 177.754 177.584 -0.150 0.000 1.072 20 A CA 0.306 52.214 52.037 -0.215 0.000 0.761 20 A CB 0.369 19.015 19.000 -0.589 0.000 1.004 20 A HN 0.262 nan 8.150 nan 0.000 0.499 21 D N 3.191 123.515 120.400 -0.127 0.000 2.274 21 D HA 0.333 4.973 4.640 -0.000 0.000 0.239 21 D C -1.849 174.377 176.300 -0.123 0.000 1.104 21 D CA -1.845 52.118 54.000 -0.062 0.000 0.840 21 D CB 1.608 42.397 40.800 -0.019 0.000 1.100 21 D HN 0.132 nan 8.370 nan 0.000 0.477 22 P HA -0.121 nan 4.420 nan 0.000 0.220 22 P C 0.498 177.795 177.300 -0.004 0.000 1.144 22 P CA 1.122 64.201 63.100 -0.035 0.000 0.800 22 P CB 0.336 32.198 31.700 0.270 0.000 0.772 23 E N -1.816 118.391 120.200 0.013 0.000 2.442 23 E HA 0.017 4.367 4.350 -0.000 0.000 0.195 23 E C 0.142 176.726 176.600 -0.027 0.000 1.030 23 E CA 0.318 56.729 56.400 0.019 0.000 0.869 23 E CB -0.272 29.443 29.700 0.025 0.000 0.857 23 E HN 0.214 nan 8.360 nan 0.000 0.505 24 T N 2.417 116.929 114.554 -0.070 0.000 2.834 24 T HA 0.079 4.429 4.350 -0.000 0.000 0.298 24 T C 0.385 175.031 174.700 -0.089 0.000 0.966 24 T CA -0.070 61.992 62.100 -0.064 0.000 1.141 24 T CB 0.876 69.711 68.868 -0.055 0.000 0.905 24 T HN 0.147 nan 8.240 nan 0.000 0.535 25 T N 1.456 115.989 114.554 -0.035 0.000 2.918 25 T HA 0.351 4.701 4.350 -0.000 0.000 0.283 25 T C 1.352 176.047 174.700 -0.009 0.000 1.001 25 T CA -1.048 61.035 62.100 -0.029 0.000 1.041 25 T CB 0.870 69.744 68.868 0.011 0.000 1.028 25 T HN 0.258 nan 8.240 nan 0.000 0.511 26 L N 1.632 122.838 121.223 -0.029 0.000 2.042 26 L HA 0.034 4.374 4.340 -0.000 0.000 0.210 26 L C 2.177 179.101 176.870 0.090 0.000 1.076 26 L CA 1.650 56.495 54.840 0.009 0.000 0.749 26 L CB -1.373 40.671 42.059 -0.024 0.000 0.893 26 L HN 0.794 nan 8.230 nan 0.000 0.432 27 L N 0.042 121.302 121.223 0.063 0.000 2.012 27 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 27 L C 2.498 179.408 176.870 0.066 0.000 1.073 27 L CA 2.282 57.160 54.840 0.063 0.000 0.748 27 L CB -1.164 40.928 42.059 0.055 0.000 0.891 27 L HN 0.300 nan 8.230 nan 0.000 0.431 28 A N -1.811 121.046 122.820 0.063 0.000 1.930 28 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 28 A C 2.280 179.905 177.584 0.069 0.000 1.175 28 A CA 1.688 53.752 52.037 0.045 0.000 0.627 28 A CB -1.142 17.870 19.000 0.020 0.000 0.815 28 A HN 0.612 nan 8.150 nan 0.000 0.443 29 Y N 0.387 120.681 120.300 -0.010 0.000 2.145 29 Y HA -0.155 4.395 4.550 -0.000 0.000 0.286 29 Y C 2.053 177.968 175.900 0.025 0.000 1.145 29 Y CA 1.838 59.944 58.100 0.010 0.000 1.148 29 Y CB -0.285 38.195 38.460 0.034 0.000 0.981 29 Y HN 0.231 nan 8.280 nan 0.000 0.507 30 L N -0.485 120.821 121.223 0.139 0.000 1.994 30 L HA -0.264 4.076 4.340 -0.000 0.000 0.208 30 L C 2.569 179.429 176.870 -0.016 0.000 1.071 30 L CA 1.786 56.663 54.840 0.062 0.000 0.745 30 L CB -0.494 41.615 42.059 0.084 0.000 0.892 30 L HN 0.107 nan 8.230 nan 0.000 0.431 31 R N -0.500 119.998 120.500 -0.002 0.000 2.073 31 R HA -0.052 4.288 4.340 -0.000 0.000 0.229 31 R C 2.352 178.632 176.300 -0.033 0.000 1.120 31 R CA 1.059 57.153 56.100 -0.009 0.000 0.967 31 R CB -0.113 30.198 30.300 0.018 0.000 0.862 31 R HN 0.352 nan 8.270 nan 0.000 0.436 32 R N -0.412 120.054 120.500 -0.057 0.000 2.206 32 R HA 0.060 4.400 4.340 -0.000 0.000 0.198 32 R C 1.838 178.053 176.300 -0.141 0.000 0.986 32 R CA 0.563 56.621 56.100 -0.069 0.000 1.029 32 R CB 0.188 30.455 30.300 -0.054 0.000 0.966 32 R HN -0.105 nan 8.270 nan 0.000 0.487 33 K N 0.683 120.919 120.400 -0.274 0.000 2.262 33 K HA 0.186 4.506 4.320 -0.000 0.000 0.200 33 K C 1.503 177.898 176.600 -0.341 0.000 1.058 33 K CA 0.671 56.712 56.287 -0.409 0.000 0.974 33 K CB 0.375 32.328 32.500 -0.913 0.000 0.910 33 K HN -0.017 nan 8.250 nan 0.000 0.484 34 L N -0.431 120.606 121.223 -0.310 0.000 2.567 34 L HA 0.284 4.624 4.340 -0.000 0.000 0.225 34 L C 0.748 177.554 176.870 -0.107 0.000 1.119 34 L CA 0.391 55.123 54.840 -0.181 0.000 0.871 34 L CB -0.013 41.977 42.059 -0.115 0.000 1.036 34 L HN 0.478 nan 8.230 nan 0.000 0.459 35 G N 1.400 110.142 108.800 -0.096 0.000 2.221 35 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.265 35 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.265 35 G C 0.049 174.923 174.900 -0.044 0.000 1.041 35 G CA -0.052 45.009 45.100 -0.065 0.000 0.807 35 G HN 0.282 nan 8.290 nan 0.000 0.502 36 L N -0.062 121.140 121.223 -0.034 0.000 2.371 36 L HA 0.412 4.752 4.340 -0.000 0.000 0.262 36 L C 1.485 178.349 176.870 -0.009 0.000 1.054 36 L CA -0.764 54.065 54.840 -0.018 0.000 0.924 36 L CB 0.863 42.917 42.059 -0.009 0.000 1.295 36 L HN 0.163 nan 8.230 nan 0.000 0.441 37 R N 1.121 121.618 120.500 -0.004 0.000 2.335 37 R HA 0.096 4.436 4.340 -0.000 0.000 0.223 37 R C 1.830 178.133 176.300 0.005 0.000 0.940 37 R CA 0.363 56.468 56.100 0.008 0.000 1.086 37 R CB 0.230 30.545 30.300 0.024 0.000 1.073 37 R HN 0.738 nan 8.270 nan 0.000 0.504 38 G N 0.839 109.634 108.800 -0.007 0.000 2.408 38 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.217 38 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.217 38 G C 0.569 175.430 174.900 -0.065 0.000 1.150 38 G CA 0.406 45.495 45.100 -0.020 0.000 0.776 38 G HN 0.185 nan 8.290 nan 0.000 0.542 39 T N 2.315 116.838 114.554 -0.052 0.000 2.851 39 T HA 0.428 4.778 4.350 -0.000 0.000 0.298 39 T C -0.032 174.605 174.700 -0.104 0.000 0.977 39 T CA -0.150 61.911 62.100 -0.066 0.000 1.126 39 T CB 1.453 70.311 68.868 -0.018 0.000 0.916 39 T HN 0.012 nan 8.240 nan 0.000 0.529 40 K N 1.930 122.215 120.400 -0.191 0.000 2.238 40 K HA 0.542 4.861 4.320 -0.000 0.000 0.239 40 K C -0.681 175.880 176.600 -0.065 0.000 0.987 40 K CA -1.148 54.983 56.287 -0.260 0.000 0.857 40 K CB 1.844 33.819 32.500 -0.876 0.000 1.154 40 K HN 0.383 nan 8.250 nan 0.000 0.439 41 L N 0.500 121.764 121.223 0.068 0.000 2.265 41 L HA 0.462 4.802 4.340 -0.000 0.000 0.289 41 L C 0.653 177.684 176.870 0.268 0.000 1.033 41 L CA 0.523 55.455 54.840 0.153 0.000 0.814 41 L CB 1.134 43.285 42.059 0.153 0.000 1.203 41 L HN 0.834 nan 8.230 nan 0.000 0.423 42 G N 2.210 111.152 108.800 0.236 0.000 2.759 42 G HA2 0.114 4.074 3.960 -0.000 0.000 0.208 42 G HA3 0.114 4.074 3.960 -0.000 0.000 0.208 42 G C 0.712 175.732 174.900 0.201 0.000 1.076 42 G CA 0.688 45.951 45.100 0.272 0.000 0.789 42 G HN 0.904 nan 8.290 nan 0.000 0.546 43 C N -3.717 115.713 119.300 0.218 0.000 4.914 43 C HA 0.522 4.982 4.460 -0.000 0.000 0.505 43 C C 2.028 177.190 174.990 0.286 0.000 1.350 43 C CA 0.629 59.789 59.018 0.237 0.000 2.421 43 C CB 0.161 28.074 27.740 0.288 0.000 3.334 43 C HN 1.496 nan 8.230 nan 0.000 0.512 44 G N 1.589 110.544 108.800 0.259 0.000 2.175 44 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.265 44 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.265 44 G C 0.447 175.589 174.900 0.403 0.000 0.979 44 G CA 1.079 46.351 45.100 0.286 0.000 0.663 44 G HN 0.765 nan 8.290 nan 0.000 0.533 45 E N -0.905 119.482 120.200 0.313 0.000 2.489 45 E HA 0.367 4.717 4.350 -0.000 0.000 0.204 45 E C 1.888 178.588 176.600 0.167 0.000 1.006 45 E CA 0.391 56.917 56.400 0.210 0.000 0.936 45 E CB 0.285 30.017 29.700 0.053 0.000 1.002 45 E HN 1.269 nan 8.360 nan 0.000 0.488 46 G N 1.000 109.908 108.800 0.180 0.000 2.176 46 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.253 46 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.253 46 G C 0.842 175.833 174.900 0.150 0.000 0.979 46 G CA 0.160 45.355 45.100 0.158 0.000 0.641 46 G HN 0.444 nan 8.290 nan 0.000 0.530 47 G N -0.690 108.206 108.800 0.159 0.000 3.126 47 G HA2 0.326 4.286 3.960 -0.000 0.000 0.224 47 G HA3 0.326 4.286 3.960 -0.000 0.000 0.224 47 G C 1.490 176.504 174.900 0.189 0.000 1.142 47 G CA 1.650 46.841 45.100 0.152 0.000 0.759 47 G HN 1.513 nan 8.290 nan 0.000 0.550 48 C N -2.893 116.543 119.300 0.228 0.000 3.270 48 C HA 0.566 5.025 4.460 -0.000 0.000 0.369 48 C C 2.161 177.300 174.990 0.249 0.000 1.326 48 C CA 0.703 59.883 59.018 0.270 0.000 1.846 48 C CB -0.000 27.952 27.740 0.354 0.000 2.534 48 C HN 1.046 nan 8.230 nan 0.000 0.649 49 G N 1.163 110.088 108.800 0.208 0.000 2.168 49 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.263 49 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.263 49 G C 1.222 176.217 174.900 0.159 0.000 0.977 49 G CA 0.820 46.033 45.100 0.187 0.000 0.659 49 G HN 1.552 nan 8.290 nan 0.000 0.533 50 A N -0.297 122.611 122.820 0.147 0.000 2.121 50 A HA 0.148 4.468 4.320 -0.000 0.000 0.218 50 A C 2.455 180.043 177.584 0.006 0.000 1.154 50 A CA 2.315 54.390 52.037 0.063 0.000 0.679 50 A CB -0.782 18.251 19.000 0.055 0.000 0.795 50 A HN 1.808 nan 8.150 nan 0.000 0.458 51 C N -1.940 117.393 119.300 0.054 0.000 2.780 51 C HA 0.352 4.812 4.460 -0.000 0.000 0.287 51 C C 0.805 175.826 174.990 0.053 0.000 1.288 51 C CA -0.453 58.589 59.018 0.041 0.000 1.713 51 C CB -2.106 25.675 27.740 0.068 0.000 1.955 51 C HN 0.314 nan 8.230 nan 0.000 0.613 52 T N 2.904 117.498 114.554 0.066 0.000 2.908 52 T HA 0.406 4.755 4.350 -0.000 0.000 0.301 52 T C 0.312 175.038 174.700 0.045 0.000 1.019 52 T CA 0.854 62.996 62.100 0.071 0.000 1.152 52 T CB 0.623 69.548 68.868 0.095 0.000 0.966 52 T HN 0.936 nan 8.240 nan 0.000 0.540 53 V N 1.205 121.143 119.914 0.039 0.000 3.160 53 V HA 0.768 4.888 4.120 -0.000 0.000 0.310 53 V C -0.633 175.463 176.094 0.003 0.000 1.181 53 V CA -1.493 60.818 62.300 0.017 0.000 1.047 53 V CB 2.336 34.169 31.823 0.017 0.000 1.068 53 V HN 0.861 nan 8.190 nan 0.000 0.441 54 M N 2.152 121.747 119.600 -0.009 0.000 2.404 54 M HA 0.707 5.187 4.480 -0.000 0.000 0.338 54 M C -1.826 174.406 176.300 -0.112 0.000 1.150 54 M CA -0.656 54.620 55.300 -0.041 0.000 1.016 54 M CB 1.543 34.173 32.600 0.050 0.000 1.672 54 M HN 0.750 nan 8.290 nan 0.000 0.448 55 L N 3.011 124.032 121.223 -0.338 0.000 2.365 55 L HA 0.616 4.956 4.340 -0.000 0.000 0.273 55 L C -0.770 175.856 176.870 -0.406 0.000 1.000 55 L CA -0.619 53.965 54.840 -0.425 0.000 0.819 55 L CB 2.314 43.939 42.059 -0.723 0.000 1.284 55 L HN 0.692 nan 8.230 nan 0.000 0.418 56 S N 2.120 117.801 115.700 -0.033 0.000 2.526 56 S HA 0.746 5.215 4.470 -0.000 0.000 0.293 56 S C -1.073 173.701 174.600 0.291 0.000 1.092 56 S CA -0.875 57.422 58.200 0.161 0.000 0.980 56 S CB 2.247 65.735 63.200 0.479 0.000 1.048 56 S HN 0.659 nan 8.310 nan 0.000 0.483 57 K N 0.608 121.101 120.400 0.156 0.000 2.575 57 K HA 0.422 4.741 4.320 -0.000 0.000 0.279 57 K C -1.922 174.657 176.600 -0.035 0.000 0.969 57 K CA -0.997 55.429 56.287 0.232 0.000 0.868 57 K CB 1.003 33.666 32.500 0.273 0.000 1.457 57 K HN 0.502 nan 8.250 nan 0.000 0.426 58 Y N 2.101 122.360 120.300 -0.067 0.000 2.404 58 Y HA 0.192 4.741 4.550 -0.000 0.000 0.344 58 Y C -0.666 175.189 175.900 -0.074 0.000 0.995 58 Y CA -0.391 57.604 58.100 -0.174 0.000 1.201 58 Y CB 0.916 39.322 38.460 -0.090 0.000 1.151 58 Y HN 0.703 nan 8.280 nan 0.000 0.517 59 D N 5.894 125.922 120.400 -0.621 0.000 2.411 59 D HA 0.079 4.719 4.640 -0.000 0.000 0.225 59 D C 1.153 177.001 176.300 -0.754 0.000 1.156 59 D CA -0.210 53.501 54.000 -0.481 0.000 0.874 59 D CB 0.769 41.390 40.800 -0.297 0.000 1.034 59 D HN 0.743 nan 8.370 nan 0.000 0.502 60 R N 4.268 124.450 120.500 -0.530 0.000 2.117 60 R HA -0.133 4.207 4.340 -0.000 0.000 0.243 60 R C 1.899 178.070 176.300 -0.214 0.000 1.143 60 R CA 1.411 57.319 56.100 -0.320 0.000 0.968 60 R CB -0.886 29.390 30.300 -0.040 0.000 0.863 60 R HN 0.612 nan 8.270 nan 0.000 0.444 61 L N -0.101 121.018 121.223 -0.173 0.000 2.046 61 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 61 L C 1.750 178.541 176.870 -0.132 0.000 1.077 61 L CA 1.772 56.543 54.840 -0.116 0.000 0.747 61 L CB -0.110 41.897 42.059 -0.088 0.000 0.896 61 L HN 0.363 nan 8.230 nan 0.000 0.432 62 Q N -1.260 118.428 119.800 -0.188 0.000 2.384 62 Q HA -0.054 4.286 4.340 -0.000 0.000 0.207 62 Q C -0.155 175.733 176.000 -0.188 0.000 0.904 62 Q CA 0.368 56.072 55.803 -0.165 0.000 0.933 62 Q CB 0.397 29.038 28.738 -0.163 0.000 1.077 62 Q HN 0.385 nan 8.270 nan 0.000 0.522 63 D N 1.391 121.615 120.400 -0.294 0.000 2.737 63 D HA -0.181 4.458 4.640 -0.000 0.000 0.238 63 D C -0.823 175.381 176.300 -0.162 0.000 1.157 63 D CA 1.236 55.101 54.000 -0.224 0.000 0.694 63 D CB -0.761 40.026 40.800 -0.022 0.000 1.021 63 D HN 0.272 nan 8.370 nan 0.000 0.420 64 K N 0.364 120.557 120.400 -0.346 0.000 2.625 64 K HA 0.355 4.675 4.320 -0.000 0.000 0.284 64 K C -0.956 175.475 176.600 -0.281 0.000 0.984 64 K CA -0.947 55.225 56.287 -0.191 0.000 0.865 64 K CB 0.798 33.203 32.500 -0.157 0.000 1.468 64 K HN -0.043 nan 8.250 nan 0.000 0.407 65 I N 4.821 125.229 120.570 -0.270 0.000 2.371 65 I HA 0.266 4.436 4.170 -0.000 0.000 0.290 65 I C 0.447 176.266 176.117 -0.497 0.000 1.028 65 I CA -0.303 60.710 61.300 -0.479 0.000 1.345 65 I CB 0.165 37.776 38.000 -0.648 0.000 1.407 65 I HN 0.503 nan 8.210 nan 0.000 0.501 66 I N 4.409 124.708 120.570 -0.451 0.000 2.562 66 I HA 0.548 4.718 4.170 -0.000 0.000 0.301 66 I C -0.732 175.167 176.117 -0.364 0.000 1.003 66 I CA -0.566 60.541 61.300 -0.322 0.000 1.127 66 I CB 2.208 40.160 38.000 -0.080 0.000 1.304 66 I HN 0.369 nan 8.210 nan 0.000 0.446 67 H N 5.813 124.923 119.070 0.066 0.000 2.529 67 H HA 0.637 5.193 4.556 -0.000 0.000 0.348 67 H C -1.218 174.184 175.328 0.123 0.000 1.079 67 H CA -0.431 55.626 56.048 0.015 0.000 1.198 67 H CB 1.929 31.660 29.762 -0.052 0.000 1.521 67 H HN 0.738 nan 8.280 nan 0.000 0.514 68 F N -0.560 119.448 119.950 0.096 0.000 2.668 68 F HA 0.531 5.058 4.527 -0.000 0.000 0.309 68 F C -0.397 175.430 175.800 0.046 0.000 1.117 68 F CA -1.207 56.814 58.000 0.036 0.000 0.951 68 F CB 1.043 40.047 39.000 0.008 0.000 1.323 68 F HN 0.377 nan 8.300 nan 0.000 0.451 69 S N 1.404 117.217 115.700 0.188 0.000 2.672 69 S HA 0.956 5.426 4.470 -0.000 0.000 0.276 69 S C -0.518 174.201 174.600 0.198 0.000 1.207 69 S CA -0.009 58.252 58.200 0.101 0.000 1.002 69 S CB 1.472 64.713 63.200 0.068 0.000 0.998 69 S HN 1.883 nan 8.310 nan 0.000 0.542 70 A N 1.224 124.121 122.820 0.127 0.000 2.605 70 A HA 0.596 4.916 4.320 -0.000 0.000 0.294 70 A C -1.335 176.315 177.584 0.111 0.000 1.062 70 A CA -1.021 51.110 52.037 0.156 0.000 0.682 70 A CB 0.854 19.968 19.000 0.188 0.000 1.278 70 A HN 0.749 nan 8.150 nan 0.000 0.410 71 N N 1.424 120.196 118.700 0.119 0.000 2.411 71 N HA 0.357 5.097 4.740 -0.000 0.000 0.259 71 N C 1.162 176.728 175.510 0.094 0.000 1.103 71 N CA 0.585 53.700 53.050 0.109 0.000 0.954 71 N CB 1.715 40.278 38.487 0.125 0.000 1.085 71 N HN 0.796 nan 8.380 nan 0.000 0.485 72 A N 1.787 124.653 122.820 0.076 0.000 2.070 72 A HA -0.161 4.158 4.320 -0.000 0.000 0.220 72 A C 2.209 179.832 177.584 0.065 0.000 1.159 72 A CA 1.113 53.187 52.037 0.061 0.000 0.656 72 A CB -0.582 18.449 19.000 0.052 0.000 0.800 72 A HN 0.876 nan 8.150 nan 0.000 0.453 73 C N -2.269 117.081 119.300 0.085 0.000 2.456 73 C HA 0.288 4.748 4.460 -0.000 0.000 0.279 73 C C 1.891 176.940 174.990 0.098 0.000 1.427 73 C CA 0.634 59.708 59.018 0.093 0.000 1.778 73 C CB -1.392 26.421 27.740 0.121 0.000 1.842 73 C HN 0.445 nan 8.230 nan 0.000 0.531 74 L N 0.486 121.772 121.223 0.105 0.000 2.858 74 L HA 0.370 4.710 4.340 -0.000 0.000 0.251 74 L C 1.388 178.315 176.870 0.095 0.000 1.149 74 L CA 0.146 55.054 54.840 0.114 0.000 0.955 74 L CB -0.112 42.029 42.059 0.138 0.000 1.289 74 L HN 0.231 nan 8.230 nan 0.000 0.542 75 A N 1.549 124.410 122.820 0.069 0.000 2.310 75 A HA 0.503 4.823 4.320 -0.000 0.000 0.300 75 A C -2.418 175.151 177.584 -0.024 0.000 1.269 75 A CA -1.168 50.895 52.037 0.043 0.000 0.909 75 A CB -0.322 18.698 19.000 0.034 0.000 1.144 75 A HN -0.101 nan 8.150 nan 0.000 0.540 76 P HA 0.131 nan 4.420 nan 0.000 0.276 76 P C 1.131 178.231 177.300 -0.333 0.000 1.230 76 P CA -0.338 62.664 63.100 -0.164 0.000 0.776 76 P CB 0.584 32.206 31.700 -0.131 0.000 0.888 77 I N -0.270 120.036 120.570 -0.439 0.000 2.454 77 I HA -0.183 3.987 4.170 -0.000 0.000 0.254 77 I C 1.142 176.814 176.117 -0.740 0.000 1.156 77 I CA 1.357 62.278 61.300 -0.631 0.000 1.433 77 I CB -0.954 36.613 38.000 -0.721 0.000 1.082 77 I HN 0.167 nan 8.210 nan 0.000 0.432 78 C N 1.979 120.744 119.300 -0.892 0.000 2.466 78 C HA -0.029 4.431 4.460 -0.000 0.000 0.283 78 C C 2.707 177.289 174.990 -0.679 0.000 1.472 78 C CA 1.437 59.757 59.018 -1.162 0.000 1.765 78 C CB -1.895 24.676 27.740 -1.948 0.000 1.724 78 C HN 0.730 nan 8.230 nan 0.000 0.560 79 T N -2.880 111.443 114.554 -0.386 0.000 3.086 79 T HA 0.214 4.564 4.350 -0.000 0.000 0.250 79 T C 0.971 175.698 174.700 0.045 0.000 1.074 79 T CA 0.369 62.473 62.100 0.006 0.000 0.988 79 T CB -0.254 68.688 68.868 0.124 0.000 0.988 79 T HN 0.466 nan 8.240 nan 0.000 0.530 80 L N 0.833 121.975 121.223 -0.135 0.000 2.653 80 L HA 0.355 4.695 4.340 -0.000 0.000 0.231 80 L C 0.691 177.613 176.870 0.087 0.000 1.153 80 L CA -0.573 54.200 54.840 -0.112 0.000 0.933 80 L CB -0.806 40.938 42.059 -0.526 0.000 1.175 80 L HN 0.293 nan 8.230 nan 0.000 0.473 81 H N 1.060 120.228 119.070 0.163 0.000 3.107 81 H HA -0.028 4.528 4.556 -0.000 0.000 0.301 81 H C 0.441 176.032 175.328 0.437 0.000 0.981 81 H CA 0.724 56.964 56.048 0.320 0.000 1.443 81 H CB -0.204 29.808 29.762 0.417 0.000 1.479 81 H HN 0.211 nan 8.280 nan 0.000 0.564 82 H N 1.232 120.279 119.070 -0.038 0.000 2.903 82 H HA -0.154 4.402 4.556 -0.000 0.000 0.285 82 H C -0.785 174.658 175.328 0.191 0.000 1.231 82 H CA 0.203 56.276 56.048 0.041 0.000 1.135 82 H CB -1.375 28.362 29.762 -0.043 0.000 1.328 82 H HN 0.197 nan 8.280 nan 0.000 0.388 83 V N 0.264 120.394 119.914 0.360 0.000 2.628 83 V HA 0.683 4.803 4.120 -0.000 0.000 0.306 83 V C 0.231 176.503 176.094 0.298 0.000 1.045 83 V CA -0.199 62.281 62.300 0.300 0.000 0.905 83 V CB 1.912 33.875 31.823 0.233 0.000 0.997 83 V HN 0.382 nan 8.190 nan 0.000 0.436 84 A N 4.107 127.060 122.820 0.221 0.000 2.260 84 A HA 0.755 5.075 4.320 -0.000 0.000 0.314 84 A C -0.587 177.095 177.584 0.163 0.000 1.257 84 A CA -0.413 51.724 52.037 0.167 0.000 0.871 84 A CB 0.817 19.798 19.000 -0.031 0.000 1.166 84 A HN 0.638 nan 8.150 nan 0.000 0.522 85 V N 2.521 122.551 119.914 0.193 0.000 2.481 85 V HA 0.551 4.671 4.120 -0.000 0.000 0.286 85 V C 0.276 176.426 176.094 0.093 0.000 1.042 85 V CA -0.144 62.235 62.300 0.131 0.000 0.928 85 V CB 1.707 33.641 31.823 0.184 0.000 0.986 85 V HN 0.901 nan 8.190 nan 0.000 0.462 86 T N 3.057 117.639 114.554 0.048 0.000 2.840 86 T HA 0.549 4.898 4.350 -0.000 0.000 0.287 86 T C 0.065 174.748 174.700 -0.028 0.000 0.991 86 T CA -0.533 61.572 62.100 0.007 0.000 0.964 86 T CB 1.476 70.349 68.868 0.009 0.000 0.954 86 T HN 0.928 nan 8.240 nan 0.000 0.438 87 T N -0.745 113.782 114.554 -0.044 0.000 2.922 87 T HA 0.486 4.835 4.350 -0.000 0.000 0.281 87 T C 1.542 176.176 174.700 -0.110 0.000 1.005 87 T CA -0.636 61.433 62.100 -0.051 0.000 0.982 87 T CB 1.136 69.992 68.868 -0.019 0.000 1.158 87 T HN 0.184 nan 8.240 nan 0.000 0.566 88 V N 1.459 121.319 119.914 -0.091 0.000 2.324 88 V HA -0.163 3.957 4.120 -0.000 0.000 0.250 88 V C 2.594 178.624 176.094 -0.107 0.000 1.060 88 V CA 2.572 64.806 62.300 -0.110 0.000 1.042 88 V CB -1.026 30.762 31.823 -0.058 0.000 0.650 88 V HN 0.973 nan 8.190 nan 0.000 0.450 89 E N 0.063 120.221 120.200 -0.070 0.000 2.478 89 E HA -0.042 4.308 4.350 -0.000 0.000 0.198 89 E C 1.987 178.545 176.600 -0.069 0.000 1.046 89 E CA 1.119 57.486 56.400 -0.055 0.000 0.870 89 E CB -0.625 29.055 29.700 -0.033 0.000 0.818 89 E HN 0.635 nan 8.360 nan 0.000 0.527 90 G N 2.103 110.842 108.800 -0.101 0.000 2.712 90 G HA2 0.023 3.983 3.960 -0.000 0.000 0.212 90 G HA3 0.023 3.983 3.960 -0.000 0.000 0.212 90 G C 1.610 176.417 174.900 -0.155 0.000 1.142 90 G CA 0.447 45.485 45.100 -0.103 0.000 0.789 90 G HN 0.447 nan 8.290 nan 0.000 0.535 91 I N -3.455 116.970 120.570 -0.241 0.000 4.057 91 I HA 0.588 4.758 4.170 -0.000 0.000 0.334 91 I C 0.649 176.722 176.117 -0.073 0.000 1.308 91 I CA 0.169 61.295 61.300 -0.290 0.000 1.125 91 I CB 0.760 38.285 38.000 -0.791 0.000 1.034 91 I HN 0.070 nan 8.210 nan 0.000 0.401 92 G N 0.868 109.640 108.800 -0.048 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 -1.260 173.642 174.900 0.004 0.000 1.435 92 G CA 0.004 45.112 45.100 0.014 0.000 0.865 92 G HN 0.606 nan 8.290 nan 0.000 0.601 93 S N -2.330 113.380 115.700 0.017 0.000 2.595 93 S HA 0.641 5.111 4.470 -0.000 0.000 0.270 93 S C 0.903 175.515 174.600 0.020 0.000 1.145 93 S CA 0.849 59.057 58.200 0.014 0.000 0.825 93 S CB 1.064 64.266 63.200 0.004 0.000 1.107 93 S HN 2.165 nan 8.310 nan 0.000 0.461 94 T N -0.916 113.651 114.554 0.021 0.000 3.072 94 T HA 0.117 4.466 4.350 -0.000 0.000 0.266 94 T C 1.115 175.825 174.700 0.015 0.000 1.127 94 T CA 0.743 62.857 62.100 0.023 0.000 1.107 94 T CB -0.509 68.376 68.868 0.029 0.000 0.910 94 T HN 0.647 nan 8.240 nan 0.000 0.513 95 K N 0.993 121.399 120.400 0.009 0.000 2.365 95 K HA 0.063 4.383 4.320 -0.000 0.000 0.197 95 K C 2.139 178.741 176.600 0.004 0.000 1.042 95 K CA 1.322 57.611 56.287 0.003 0.000 0.987 95 K CB 0.150 32.648 32.500 -0.002 0.000 0.779 95 K HN 0.674 nan 8.250 nan 0.000 0.484 96 T N -1.968 112.591 114.554 0.008 0.000 3.463 96 T HA 0.178 4.528 4.350 -0.000 0.000 0.203 96 T C 0.074 174.783 174.700 0.015 0.000 0.955 96 T CA -0.505 61.601 62.100 0.010 0.000 1.230 96 T CB 0.264 69.138 68.868 0.009 0.000 1.392 96 T HN 0.052 nan 8.240 nan 0.000 0.361 97 R N 0.013 120.525 120.500 0.020 0.000 2.563 97 R HA 0.521 4.861 4.340 -0.000 0.000 0.262 97 R C -1.838 174.483 176.300 0.035 0.000 1.128 97 R CA -0.682 55.433 56.100 0.025 0.000 0.969 97 R CB 1.176 31.489 30.300 0.022 0.000 1.251 97 R HN 0.397 nan 8.270 nan 0.000 0.442 98 L N 3.902 125.148 121.223 0.038 0.000 2.439 98 L HA 0.253 4.593 4.340 -0.000 0.000 0.269 98 L C 0.772 177.688 176.870 0.077 0.000 1.179 98 L CA -0.452 54.423 54.840 0.058 0.000 0.828 98 L CB 0.610 42.698 42.059 0.049 0.000 1.106 98 L HN 0.575 nan 8.230 nan 0.000 0.467 99 H N 4.278 123.362 119.070 0.023 0.000 2.615 99 H HA 0.108 4.664 4.556 -0.000 0.000 0.363 99 H C -1.928 173.452 175.328 0.088 0.000 1.148 99 H CA -1.602 54.477 56.048 0.052 0.000 1.401 99 H CB 1.879 31.657 29.762 0.027 0.000 1.461 99 H HN 0.320 nan 8.280 nan 0.000 0.588 100 P HA -0.206 nan 4.420 nan 0.000 0.216 100 P C 1.727 179.251 177.300 0.375 0.000 1.154 100 P CA 1.214 64.367 63.100 0.089 0.000 0.865 100 P CB 0.251 32.017 31.700 0.111 0.000 0.789 101 V N -0.511 119.792 119.914 0.648 0.000 2.332 101 V HA -0.303 3.817 4.120 -0.000 0.000 0.248 101 V C 2.434 178.765 176.094 0.395 0.000 1.055 101 V CA 1.946 64.546 62.300 0.500 0.000 1.038 101 V CB -1.264 30.689 31.823 0.217 0.000 0.651 101 V HN 0.218 nan 8.190 nan 0.000 0.450 102 Q N -0.395 119.568 119.800 0.270 0.000 2.079 102 Q HA -0.225 4.115 4.340 -0.000 0.000 0.200 102 Q C 2.365 178.411 176.000 0.077 0.000 0.974 102 Q CA 1.693 57.591 55.803 0.159 0.000 0.840 102 Q CB -0.221 28.585 28.738 0.112 0.000 0.898 102 Q HN 0.744 nan 8.270 nan 0.000 0.430 103 E N 1.283 121.506 120.200 0.040 0.000 2.058 103 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 103 E C 2.009 178.468 176.600 -0.235 0.000 0.997 103 E CA 1.062 57.421 56.400 -0.070 0.000 0.801 103 E CB 0.120 29.772 29.700 -0.080 0.000 0.746 103 E HN 0.235 nan 8.360 nan 0.000 0.450 104 R N 0.187 120.483 120.500 -0.340 0.000 2.092 104 R HA -0.054 4.285 4.340 -0.000 0.000 0.231 104 R C 2.621 178.678 176.300 -0.405 0.000 1.119 104 R CA 1.268 56.966 56.100 -0.670 0.000 0.970 104 R CB -0.395 29.507 30.300 -0.664 0.000 0.864 104 R HN 0.339 nan 8.270 nan 0.000 0.440 105 I N 0.604 121.081 120.570 -0.154 0.000 2.493 105 I HA -0.185 3.985 4.170 -0.000 0.000 0.254 105 I C 2.125 178.115 176.117 -0.213 0.000 1.160 105 I CA 0.907 62.049 61.300 -0.265 0.000 1.445 105 I CB -0.005 37.925 38.000 -0.117 0.000 1.086 105 I HN 0.139 nan 8.210 nan 0.000 0.433 106 A N 0.651 123.384 122.820 -0.146 0.000 1.874 106 A HA -0.156 4.163 4.320 -0.000 0.000 0.214 106 A C 2.283 179.754 177.584 -0.188 0.000 1.189 106 A CA 1.293 53.264 52.037 -0.110 0.000 0.615 106 A CB -0.407 18.567 19.000 -0.043 0.000 0.830 106 A HN 0.333 nan 8.150 nan 0.000 0.443 107 K N 0.604 120.872 120.400 -0.221 0.000 2.211 107 K HA -0.078 4.242 4.320 -0.000 0.000 0.203 107 K C 1.906 178.200 176.600 -0.509 0.000 1.050 107 K CA 1.414 57.565 56.287 -0.226 0.000 0.945 107 K CB -0.125 32.394 32.500 0.031 0.000 0.732 107 K HN 0.620 nan 8.250 nan 0.000 0.451 108 S N -0.149 115.179 115.700 -0.620 0.000 2.593 108 S HA -0.034 4.436 4.470 -0.000 0.000 0.217 108 S C -0.052 174.318 174.600 -0.384 0.000 0.966 108 S CA -0.173 57.514 58.200 -0.854 0.000 0.914 108 S CB -0.322 62.251 63.200 -1.045 0.000 0.776 108 S HN 0.296 nan 8.310 nan 0.000 0.523 109 H N -0.732 118.281 119.070 -0.095 0.000 2.903 109 H HA -0.131 4.425 4.556 -0.000 0.000 0.285 109 H C 0.930 176.214 175.328 -0.074 0.000 1.231 109 H CA 0.592 56.618 56.048 -0.037 0.000 1.135 109 H CB -1.906 27.863 29.762 0.012 0.000 1.328 109 H HN 0.612 nan 8.280 nan 0.000 0.388 110 G N -0.249 108.494 108.800 -0.094 0.000 3.088 110 G HA2 0.203 4.162 3.960 -0.000 0.000 0.212 110 G HA3 0.203 4.162 3.960 -0.000 0.000 0.212 110 G C 0.418 175.266 174.900 -0.087 0.000 1.173 110 G CA 0.740 45.764 45.100 -0.126 0.000 0.779 110 G HN 0.342 nan 8.290 nan 0.000 0.540 111 S N -0.890 114.781 115.700 -0.048 0.000 2.647 111 S HA 0.501 4.970 4.470 -0.000 0.000 0.300 111 S C 0.329 174.893 174.600 -0.059 0.000 1.129 111 S CA -0.637 57.536 58.200 -0.045 0.000 1.029 111 S CB 1.799 64.971 63.200 -0.047 0.000 1.007 111 S HN 0.327 nan 8.310 nan 0.000 0.484 112 Q N 1.645 121.417 119.800 -0.048 0.000 2.505 112 Q HA 0.094 4.434 4.340 -0.000 0.000 0.184 112 Q C 2.234 178.173 176.000 -0.102 0.000 0.878 112 Q CA 0.851 56.626 55.803 -0.047 0.000 0.811 112 Q CB -0.464 28.295 28.738 0.035 0.000 1.118 112 Q HN 0.965 nan 8.270 nan 0.000 0.605 113 C N -0.393 118.918 119.300 0.017 0.000 2.446 113 C HA 0.327 4.787 4.460 -0.000 0.000 0.279 113 C C 1.737 176.833 174.990 0.177 0.000 1.366 113 C CA 0.423 59.488 59.018 0.079 0.000 1.763 113 C CB -1.062 26.742 27.740 0.106 0.000 1.929 113 C HN 0.886 nan 8.230 nan 0.000 0.509 114 G N -0.564 108.311 108.800 0.125 0.000 2.179 114 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.260 114 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.260 114 G C 0.412 175.428 174.900 0.192 0.000 0.977 114 G CA 0.504 45.701 45.100 0.162 0.000 0.641 114 G HN 0.551 nan 8.290 nan 0.000 0.533 115 F N 1.272 121.186 119.950 -0.060 0.000 2.234 115 F HA -0.020 4.506 4.527 -0.000 0.000 0.299 115 F C 2.809 178.554 175.800 -0.091 0.000 1.087 115 F CA 2.188 60.017 58.000 -0.285 0.000 1.340 115 F CB -0.239 38.550 39.000 -0.351 0.000 1.031 115 F HN 0.613 nan 8.300 nan 0.000 0.500 116 C N -2.020 117.338 119.300 0.097 0.000 2.673 116 C HA 0.122 4.582 4.460 -0.000 0.000 0.264 116 C C 2.430 177.465 174.990 0.075 0.000 1.304 116 C CA 0.584 59.656 59.018 0.090 0.000 1.727 116 C CB -1.494 26.343 27.740 0.161 0.000 1.932 116 C HN 0.351 nan 8.230 nan 0.000 0.563 117 T N 3.083 117.671 114.554 0.057 0.000 2.652 117 T HA -0.093 4.257 4.350 -0.000 0.000 0.267 117 T C -0.318 174.429 174.700 0.078 0.000 1.039 117 T CA 2.523 64.669 62.100 0.075 0.000 1.153 117 T CB -1.479 67.427 68.868 0.062 0.000 0.863 117 T HN 0.424 nan 8.240 nan 0.000 0.428 118 P HA -0.073 nan 4.420 nan 0.000 0.216 118 P C 1.777 179.103 177.300 0.043 0.000 1.153 118 P CA 1.337 64.444 63.100 0.012 0.000 0.858 118 P CB -0.521 31.151 31.700 -0.047 0.000 0.789 119 G N -0.566 108.262 108.800 0.047 0.000 2.418 119 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.217 119 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.217 119 G C 1.544 176.555 174.900 0.185 0.000 1.158 119 G CA 0.548 45.707 45.100 0.099 0.000 0.771 119 G HN 0.234 nan 8.290 nan 0.000 0.545 120 I N 0.148 120.861 120.570 0.239 0.000 2.252 120 I HA -0.130 4.039 4.170 -0.000 0.000 0.245 120 I C 2.781 179.137 176.117 0.398 0.000 1.102 120 I CA 0.325 61.847 61.300 0.371 0.000 1.385 120 I CB -0.167 38.024 38.000 0.318 0.000 1.064 120 I HN 0.019 nan 8.210 nan 0.000 0.414 121 V N 0.633 120.717 119.914 0.283 0.000 2.282 121 V HA -0.327 3.792 4.120 -0.000 0.000 0.249 121 V C 2.507 178.671 176.094 0.118 0.000 1.057 121 V CA 1.703 64.134 62.300 0.219 0.000 1.032 121 V CB -0.436 31.468 31.823 0.135 0.000 0.645 121 V HN 0.381 nan 8.190 nan 0.000 0.447 122 M N -0.890 118.767 119.600 0.095 0.000 2.254 122 M HA -0.070 4.410 4.480 -0.000 0.000 0.265 122 M C 2.368 178.714 176.300 0.076 0.000 1.066 122 M CA 1.381 56.721 55.300 0.066 0.000 1.123 122 M CB -1.411 31.210 32.600 0.035 0.000 1.388 122 M HN 0.319 nan 8.290 nan 0.000 0.425 123 S N 0.548 116.312 115.700 0.106 0.000 2.368 123 S HA -0.112 4.358 4.470 -0.000 0.000 0.224 123 S C 1.844 176.362 174.600 -0.137 0.000 1.029 123 S CA 1.213 59.419 58.200 0.010 0.000 0.988 123 S CB -0.194 63.052 63.200 0.077 0.000 0.838 123 S HN 0.387 nan 8.310 nan 0.000 0.462 124 M N 0.443 120.011 119.600 -0.054 0.000 2.132 124 M HA -0.016 4.464 4.480 -0.000 0.000 0.263 124 M C 1.737 177.843 176.300 -0.324 0.000 1.065 124 M CA 1.418 56.541 55.300 -0.296 0.000 1.122 124 M CB -0.770 31.513 32.600 -0.528 0.000 1.365 124 M HN 0.368 nan 8.290 nan 0.000 0.411 125 Y N 0.356 120.464 120.300 -0.321 0.000 2.165 125 Y HA -0.224 4.326 4.550 -0.000 0.000 0.286 125 Y C 2.047 177.776 175.900 -0.285 0.000 1.155 125 Y CA 2.465 60.357 58.100 -0.346 0.000 1.164 125 Y CB -0.869 37.391 38.460 -0.332 0.000 0.978 125 Y HN 0.293 nan 8.280 nan 0.000 0.513 126 T N 1.203 115.647 114.554 -0.183 0.000 2.746 126 T HA -0.207 4.143 4.350 -0.000 0.000 0.267 126 T C 1.797 176.340 174.700 -0.262 0.000 1.039 126 T CA 1.469 63.444 62.100 -0.208 0.000 1.142 126 T CB -0.677 68.147 68.868 -0.074 0.000 0.866 126 T HN 0.326 nan 8.240 nan 0.000 0.444 127 L N 1.193 122.249 121.223 -0.279 0.000 1.989 127 L HA 0.007 4.347 4.340 -0.000 0.000 0.211 127 L C 2.159 178.855 176.870 -0.290 0.000 1.071 127 L CA 1.676 56.353 54.840 -0.271 0.000 0.749 127 L CB -0.871 40.997 42.059 -0.318 0.000 0.890 127 L HN 0.249 nan 8.230 nan 0.000 0.431 128 L N -0.740 120.249 121.223 -0.390 0.000 2.127 128 L HA -0.178 4.161 4.340 -0.000 0.000 0.211 128 L C 2.624 179.277 176.870 -0.362 0.000 1.089 128 L CA 0.747 55.354 54.840 -0.388 0.000 0.757 128 L CB -0.652 41.109 42.059 -0.497 0.000 0.899 128 L HN 0.252 nan 8.230 nan 0.000 0.434 129 R N -0.036 120.174 120.500 -0.483 0.000 2.237 129 R HA -0.038 4.302 4.340 -0.000 0.000 0.219 129 R C 1.640 177.821 176.300 -0.198 0.000 1.080 129 R CA 0.715 56.547 56.100 -0.446 0.000 0.995 129 R CB -0.675 29.216 30.300 -0.682 0.000 0.875 129 R HN 0.528 nan 8.270 nan 0.000 0.462 130 N N 0.023 118.630 118.700 -0.154 0.000 2.439 130 N HA -0.058 4.682 4.740 -0.000 0.000 0.176 130 N C -0.022 175.442 175.510 -0.077 0.000 1.029 130 N CA 0.374 53.385 53.050 -0.065 0.000 0.886 130 N CB 0.428 38.881 38.487 -0.057 0.000 1.057 130 N HN 0.026 nan 8.380 nan 0.000 0.437 131 Q N 0.839 120.572 119.800 -0.113 0.000 2.589 131 Q HA 0.269 4.609 4.340 -0.000 0.000 0.245 131 Q C -2.331 173.607 176.000 -0.104 0.000 0.931 131 Q CA -1.618 54.132 55.803 -0.089 0.000 0.730 131 Q CB 1.875 30.566 28.738 -0.078 0.000 1.315 131 Q HN -0.070 nan 8.270 nan 0.000 0.469 132 P HA -0.157 nan 4.420 nan 0.000 0.219 132 P C -0.648 176.643 177.300 -0.015 0.000 1.146 132 P CA 1.121 64.180 63.100 -0.067 0.000 0.808 132 P CB 0.486 32.165 31.700 -0.035 0.000 0.779 133 E N 0.850 121.049 120.200 -0.000 0.000 2.795 133 E HA 0.266 4.615 4.350 -0.000 0.000 0.226 133 E C -2.369 174.247 176.600 0.026 0.000 1.088 133 E CA -2.011 54.413 56.400 0.041 0.000 0.812 133 E CB 1.358 31.086 29.700 0.047 0.000 1.328 133 E HN 0.343 nan 8.360 nan 0.000 0.410 134 P HA 0.062 nan 4.420 nan 0.000 0.278 134 P C 0.040 177.370 177.300 0.049 0.000 1.258 134 P CA -0.316 62.789 63.100 0.009 0.000 0.811 134 P CB 1.185 32.867 31.700 -0.031 0.000 1.063 135 T N -2.381 112.195 114.554 0.036 0.000 2.874 135 T HA 0.170 4.520 4.350 -0.000 0.000 0.281 135 T C 1.508 176.255 174.700 0.077 0.000 0.994 135 T CA -0.668 61.466 62.100 0.056 0.000 1.015 135 T CB 0.091 68.983 68.868 0.040 0.000 1.028 135 T HN 0.080 nan 8.240 nan 0.000 0.523 136 V N 0.901 120.875 119.914 0.100 0.000 2.392 136 V HA -0.147 3.972 4.120 -0.000 0.000 0.249 136 V C 2.806 178.968 176.094 0.112 0.000 1.059 136 V CA 2.380 64.758 62.300 0.130 0.000 1.051 136 V CB -1.020 30.885 31.823 0.137 0.000 0.658 136 V HN 1.076 nan 8.190 nan 0.000 0.455 137 E N 0.123 120.370 120.200 0.079 0.000 2.077 137 E HA -0.250 4.100 4.350 -0.000 0.000 0.193 137 E C 2.171 178.783 176.600 0.021 0.000 0.989 137 E CA 1.517 57.952 56.400 0.059 0.000 0.800 137 E CB -0.089 29.636 29.700 0.042 0.000 0.746 137 E HN 0.713 nan 8.360 nan 0.000 0.452 138 E N 0.348 120.547 120.200 -0.001 0.000 2.110 138 E HA -0.186 4.163 4.350 -0.000 0.000 0.193 138 E C 2.217 178.763 176.600 -0.092 0.000 0.988 138 E CA 1.152 57.520 56.400 -0.055 0.000 0.804 138 E CB -0.093 29.573 29.700 -0.056 0.000 0.745 138 E HN 0.410 nan 8.360 nan 0.000 0.458 139 I N 1.096 121.654 120.570 -0.019 0.000 2.179 139 I HA -0.275 3.895 4.170 -0.000 0.000 0.242 139 I C 2.695 178.819 176.117 0.012 0.000 1.088 139 I CA 1.255 62.557 61.300 0.004 0.000 1.357 139 I CB -0.232 37.883 38.000 0.193 0.000 1.051 139 I HN 0.149 nan 8.210 nan 0.000 0.409 140 E N 1.006 121.273 120.200 0.111 0.000 2.072 140 E HA -0.259 4.091 4.350 -0.000 0.000 0.191 140 E C 1.524 178.119 176.600 -0.007 0.000 0.985 140 E CA 1.447 57.944 56.400 0.162 0.000 0.801 140 E CB 0.084 29.895 29.700 0.185 0.000 0.750 140 E HN 0.373 nan 8.360 nan 0.000 0.452 141 D N 0.097 120.452 120.400 -0.075 0.000 2.309 141 D HA -0.094 4.545 4.640 -0.000 0.000 0.212 141 D C 1.577 177.723 176.300 -0.257 0.000 0.968 141 D CA 0.928 54.850 54.000 -0.129 0.000 0.882 141 D CB -0.128 40.602 40.800 -0.117 0.000 0.918 141 D HN 0.290 nan 8.370 nan 0.000 0.503 142 A N -0.243 122.294 122.820 -0.472 0.000 2.067 142 A HA -0.093 4.227 4.320 -0.000 0.000 0.219 142 A C 1.198 178.296 177.584 -0.810 0.000 1.158 142 A CA 0.612 52.222 52.037 -0.712 0.000 0.661 142 A CB -0.575 17.812 19.000 -1.021 0.000 0.801 142 A HN 0.221 nan 8.150 nan 0.000 0.452 143 F N -0.398 119.390 119.950 -0.270 0.000 2.750 143 F HA 0.183 4.709 4.527 -0.000 0.000 0.297 143 F C 1.712 177.408 175.800 -0.174 0.000 1.138 143 F CA -0.311 57.464 58.000 -0.376 0.000 1.346 143 F CB 0.044 38.320 39.000 -1.207 0.000 0.965 143 F HN 0.187 nan 8.300 nan 0.000 0.514 144 Q N 0.599 120.404 119.800 0.009 0.000 2.226 144 Q HA -0.085 4.255 4.340 -0.000 0.000 0.204 144 Q C 2.008 178.083 176.000 0.124 0.000 0.975 144 Q CA 1.310 57.156 55.803 0.072 0.000 0.866 144 Q CB -0.161 28.596 28.738 0.033 0.000 0.915 144 Q HN 0.555 nan 8.270 nan 0.000 0.440 145 G N 0.084 108.962 108.800 0.130 0.000 3.690 145 G HA2 0.106 4.065 3.960 -0.000 0.000 0.283 145 G HA3 0.106 4.065 3.960 -0.000 0.000 0.283 145 G C -0.188 174.845 174.900 0.221 0.000 1.057 145 G CA -0.365 44.831 45.100 0.160 0.000 0.821 145 G HN 0.040 nan 8.290 nan 0.000 0.526 146 N N 0.562 119.447 118.700 0.308 0.000 2.284 146 N HA 0.525 5.265 4.740 -0.000 0.000 0.300 146 N C -1.174 174.653 175.510 0.527 0.000 1.047 146 N CA -0.307 52.987 53.050 0.407 0.000 0.821 146 N CB 2.632 41.413 38.487 0.490 0.000 1.337 146 N HN -0.022 nan 8.380 nan 0.000 0.482 147 L N 0.936 122.419 121.223 0.434 0.000 2.346 147 L HA 0.596 4.936 4.340 -0.000 0.000 0.274 147 L C -0.426 176.637 176.870 0.322 0.000 1.007 147 L CA -0.839 54.252 54.840 0.418 0.000 0.818 147 L CB 2.218 44.450 42.059 0.287 0.000 1.284 147 L HN 0.475 nan 8.230 nan 0.000 0.424 148 C N 2.210 121.599 119.300 0.148 0.000 2.481 148 C HA 0.516 4.975 4.460 -0.000 0.000 0.324 148 C C 0.846 175.694 174.990 -0.238 0.000 1.170 148 C CA -0.532 58.399 59.018 -0.145 0.000 1.361 148 C CB 1.669 29.114 27.740 -0.491 0.000 1.977 148 C HN 0.980 nan 8.230 nan 0.000 0.459 149 R N 2.502 122.982 120.500 -0.034 0.000 2.290 149 R HA 0.277 4.617 4.340 -0.000 0.000 0.197 149 R C 1.318 177.596 176.300 -0.036 0.000 0.913 149 R CA 1.441 57.510 56.100 -0.051 0.000 1.040 149 R CB -0.617 29.706 30.300 0.037 0.000 0.992 149 R HN 0.867 nan 8.270 nan 0.000 0.500 150 C N -1.400 117.941 119.300 0.067 0.000 2.520 150 C HA 0.137 4.597 4.460 -0.000 0.000 0.291 150 C C 2.433 177.436 174.990 0.022 0.000 1.364 150 C CA 0.796 59.911 59.018 0.163 0.000 1.781 150 C CB -0.258 27.596 27.740 0.190 0.000 2.171 150 C HN 0.636 nan 8.230 nan 0.000 0.516 151 T N -1.520 112.966 114.554 -0.114 0.000 2.904 151 T HA 0.238 4.587 4.350 -0.000 0.000 0.267 151 T C 1.671 176.311 174.700 -0.101 0.000 1.059 151 T CA 1.804 63.832 62.100 -0.120 0.000 1.137 151 T CB -0.471 68.295 68.868 -0.170 0.000 0.879 151 T HN 1.109 nan 8.240 nan 0.000 0.467 152 G N 0.239 108.916 108.800 -0.204 0.000 2.157 152 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.248 152 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.248 152 G C 0.615 175.591 174.900 0.127 0.000 0.979 152 G CA 0.365 45.492 45.100 0.046 0.000 0.650 152 G HN 0.638 nan 8.290 nan 0.000 0.529 153 Y N -2.119 118.107 120.300 -0.124 0.000 3.301 153 Y HA -0.411 4.139 4.550 -0.000 0.000 0.459 153 Y C 2.367 178.231 175.900 -0.059 0.000 1.135 153 Y CA 2.740 60.668 58.100 -0.285 0.000 2.611 153 Y CB -1.418 36.741 38.460 -0.501 0.000 0.841 153 Y HN 0.486 nan 8.280 nan 0.000 0.522 154 R N 1.166 121.809 120.500 0.238 0.000 2.133 154 R HA -0.216 4.124 4.340 -0.000 0.000 0.245 154 R C -0.894 175.497 176.300 0.151 0.000 1.137 154 R CA 2.793 59.033 56.100 0.233 0.000 0.947 154 R CB -1.413 29.014 30.300 0.212 0.000 0.865 154 R HN 0.419 nan 8.270 nan 0.000 0.437 155 P HA -0.131 nan 4.420 nan 0.000 0.217 155 P C 1.699 178.970 177.300 -0.049 0.000 1.150 155 P CA 1.358 64.494 63.100 0.061 0.000 0.832 155 P CB -0.207 31.522 31.700 0.048 0.000 0.787 156 I N -0.548 119.969 120.570 -0.088 0.000 2.179 156 I HA -0.224 3.946 4.170 -0.000 0.000 0.242 156 I C 2.731 178.745 176.117 -0.173 0.000 1.088 156 I CA 1.307 62.449 61.300 -0.263 0.000 1.357 156 I CB -0.687 37.242 38.000 -0.118 0.000 1.051 156 I HN -0.145 nan 8.210 nan 0.000 0.409 157 L N 0.011 121.327 121.223 0.155 0.000 2.027 157 L HA -0.240 4.100 4.340 -0.000 0.000 0.206 157 L C 2.706 179.740 176.870 0.273 0.000 1.074 157 L CA 1.440 56.465 54.840 0.310 0.000 0.745 157 L CB -0.614 41.673 42.059 0.381 0.000 0.898 157 L HN 0.335 nan 8.230 nan 0.000 0.433 158 Q N 0.070 120.007 119.800 0.228 0.000 2.124 158 Q HA -0.166 4.174 4.340 -0.000 0.000 0.202 158 Q C 2.133 178.314 176.000 0.302 0.000 0.977 158 Q CA 1.783 57.755 55.803 0.282 0.000 0.850 158 Q CB -0.199 28.726 28.738 0.312 0.000 0.901 158 Q HN 0.494 nan 8.270 nan 0.000 0.429 159 G N -0.366 108.491 108.800 0.094 0.000 2.402 159 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.216 159 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.216 159 G C 0.902 175.898 174.900 0.160 0.000 1.162 159 G CA 0.456 45.510 45.100 -0.076 0.000 0.777 159 G HN 0.339 nan 8.290 nan 0.000 0.539 160 F N 0.635 120.708 119.950 0.205 0.000 2.456 160 F HA 0.218 4.745 4.527 -0.000 0.000 0.298 160 F C 2.486 178.514 175.800 0.380 0.000 1.104 160 F CA 0.035 58.262 58.000 0.378 0.000 1.435 160 F CB -0.429 38.842 39.000 0.452 0.000 1.078 160 F HN 0.084 nan 8.300 nan 0.000 0.546 161 R N 0.567 121.349 120.500 0.470 0.000 2.193 161 R HA -0.147 4.193 4.340 -0.000 0.000 0.229 161 R C 1.979 178.455 176.300 0.293 0.000 1.110 161 R CA 1.694 58.007 56.100 0.356 0.000 0.988 161 R CB -0.358 30.119 30.300 0.295 0.000 0.871 161 R HN 0.365 nan 8.270 nan 0.000 0.458 162 T N -2.561 112.149 114.554 0.261 0.000 3.051 162 T HA -0.088 4.262 4.350 -0.000 0.000 0.269 162 T C 1.410 176.160 174.700 0.084 0.000 1.127 162 T CA 0.797 62.996 62.100 0.164 0.000 1.107 162 T CB -0.305 68.687 68.868 0.206 0.000 0.898 162 T HN 0.214 nan 8.240 nan 0.000 0.517 163 F N 1.877 121.956 119.950 0.215 0.000 2.512 163 F HA 0.465 4.992 4.527 -0.000 0.000 0.296 163 F C 1.971 177.836 175.800 0.108 0.000 1.110 163 F CA -0.234 57.851 58.000 0.143 0.000 1.446 163 F CB -0.219 38.842 39.000 0.101 0.000 1.092 163 F HN 0.263 nan 8.300 nan 0.000 0.554 164 A N 0.647 123.640 122.820 0.288 0.000 2.327 164 A HA 0.467 4.787 4.320 -0.000 0.000 0.255 164 A C 0.406 178.078 177.584 0.146 0.000 1.099 164 A CA -0.225 51.927 52.037 0.191 0.000 0.801 164 A CB 0.234 19.337 19.000 0.173 0.000 1.062 164 A HN 0.367 nan 8.150 nan 0.000 0.496 193 P HA 0.447 nan 4.420 nan 0.000 0.269 193 P C -0.651 176.474 177.300 -0.292 0.000 1.209 193 P CA -0.172 62.685 63.100 -0.406 0.000 0.776 193 P CB 0.580 31.904 31.700 -0.627 0.000 0.876 194 S N 1.000 116.725 115.700 0.041 0.000 2.593 194 S HA 0.297 4.766 4.470 -0.000 0.000 0.297 194 S C 1.479 176.281 174.600 0.337 0.000 1.112 194 S CA -0.791 57.489 58.200 0.134 0.000 1.043 194 S CB 1.397 64.549 63.200 -0.079 0.000 1.054 194 S HN 0.388 nan 8.310 nan 0.000 0.516 195 L N 0.842 122.198 121.223 0.223 0.000 2.156 195 L HA 0.140 4.480 4.340 -0.000 0.000 0.208 195 L C 0.119 177.232 176.870 0.405 0.000 1.095 195 L CA 1.105 56.073 54.840 0.213 0.000 0.770 195 L CB -0.163 42.019 42.059 0.205 0.000 0.914 195 L HN 0.703 nan 8.230 nan 0.000 0.439 196 F N -2.960 117.090 119.950 0.166 0.000 2.711 196 F HA 0.512 5.039 4.527 -0.000 0.000 0.313 196 F C -0.883 174.897 175.800 -0.034 0.000 1.141 196 F CA -1.653 56.395 58.000 0.079 0.000 0.941 196 F CB 1.095 40.136 39.000 0.069 0.000 1.349 196 F HN -0.323 nan 8.300 nan 0.000 0.464 197 N N 1.511 120.268 118.700 0.094 0.000 2.573 197 N HA 0.515 5.255 4.740 -0.000 0.000 0.262 197 N C -2.460 172.777 175.510 -0.455 0.000 1.029 197 N CA -2.545 50.414 53.050 -0.151 0.000 0.882 197 N CB 1.901 40.334 38.487 -0.089 0.000 1.204 197 N HN 0.248 nan 8.380 nan 0.000 0.519 198 P HA -0.117 nan 4.420 nan 0.000 0.219 198 P C 0.390 177.337 177.300 -0.589 0.000 1.146 198 P CA 1.174 63.676 63.100 -0.996 0.000 0.808 198 P CB 0.334 31.855 31.700 -0.297 0.000 0.779 199 E N -0.124 119.893 120.200 -0.306 0.000 2.265 199 E HA -0.190 4.160 4.350 -0.000 0.000 0.196 199 E C 1.628 178.177 176.600 -0.084 0.000 0.996 199 E CA 0.842 57.159 56.400 -0.138 0.000 0.832 199 E CB -0.256 29.391 29.700 -0.090 0.000 0.756 199 E HN 0.595 nan 8.360 nan 0.000 0.491 200 E N 0.381 120.509 120.200 -0.120 0.000 2.479 200 E HA 0.004 4.354 4.350 -0.000 0.000 0.193 200 E C -0.066 176.654 176.600 0.199 0.000 1.049 200 E CA -0.242 56.175 56.400 0.028 0.000 0.870 200 E CB -0.044 29.682 29.700 0.045 0.000 0.944 200 E HN 0.132 nan 8.360 nan 0.000 0.492 201 F N 2.058 122.017 119.950 0.015 0.000 2.456 201 F HA 0.181 4.708 4.527 -0.000 0.000 0.358 201 F C 0.815 176.607 175.800 -0.013 0.000 1.095 201 F CA -1.172 56.819 58.000 -0.014 0.000 1.216 201 F CB 0.888 39.854 39.000 -0.057 0.000 1.125 201 F HN 0.037 nan 8.300 nan 0.000 0.549 202 M N 6.717 126.418 119.600 0.168 0.000 2.217 202 M HA 0.247 4.726 4.480 -0.000 0.000 0.352 202 M C -2.418 173.929 176.300 0.078 0.000 1.376 202 M CA -1.403 53.950 55.300 0.089 0.000 1.107 202 M CB 0.639 33.265 32.600 0.043 0.000 1.723 202 M HN 0.179 nan 8.290 nan 0.000 0.461 203 P HA 0.096 nan 4.420 nan 0.000 0.272 203 P C -1.167 176.188 177.300 0.092 0.000 1.230 203 P CA -0.530 62.625 63.100 0.091 0.000 0.788 203 P CB 0.466 32.212 31.700 0.076 0.000 0.949 204 L N 2.353 123.668 121.223 0.153 0.000 2.380 204 L HA 0.344 4.684 4.340 -0.000 0.000 0.273 204 L C -0.182 176.727 176.870 0.066 0.000 1.138 204 L CA 0.521 55.434 54.840 0.121 0.000 0.832 204 L CB 0.075 42.250 42.059 0.193 0.000 1.124 204 L HN 0.214 nan 8.230 nan 0.000 0.454 205 D N 5.655 126.075 120.400 0.033 0.000 2.389 205 D HA 0.385 5.025 4.640 -0.000 0.000 0.256 205 D C -2.054 174.265 176.300 0.032 0.000 1.239 205 D CA -1.855 52.164 54.000 0.031 0.000 0.925 205 D CB 1.767 42.582 40.800 0.025 0.000 1.145 205 D HN 0.280 nan 8.370 nan 0.000 0.542 206 P HA -0.163 nan 4.420 nan 0.000 0.217 206 P C 1.358 178.674 177.300 0.026 0.000 1.148 206 P CA 1.586 64.696 63.100 0.017 0.000 0.834 206 P CB 0.126 31.827 31.700 0.002 0.000 0.783 207 T N -3.756 110.813 114.554 0.026 0.000 2.929 207 T HA -0.163 4.187 4.350 -0.000 0.000 0.271 207 T C 1.580 176.300 174.700 0.033 0.000 1.085 207 T CA 1.058 63.174 62.100 0.027 0.000 1.125 207 T CB -0.761 68.121 68.868 0.023 0.000 0.874 207 T HN 0.252 nan 8.240 nan 0.000 0.494 208 Q N 0.296 120.120 119.800 0.039 0.000 2.319 208 Q HA 0.183 4.523 4.340 -0.000 0.000 0.202 208 Q C 0.075 176.117 176.000 0.071 0.000 0.896 208 Q CA -0.121 55.709 55.803 0.046 0.000 0.942 208 Q CB 0.408 29.168 28.738 0.037 0.000 1.083 208 Q HN 0.548 nan 8.270 nan 0.000 0.510 209 E N 1.738 121.987 120.200 0.082 0.000 2.373 209 E HA 0.170 4.520 4.350 -0.000 0.000 0.263 209 E C -2.171 174.483 176.600 0.090 0.000 1.073 209 E CA -1.866 54.604 56.400 0.117 0.000 0.894 209 E CB 0.039 29.798 29.700 0.097 0.000 1.008 209 E HN 0.013 nan 8.360 nan 0.000 0.420 210 P HA 0.085 nan 4.420 nan 0.000 0.266 210 P C -0.017 177.330 177.300 0.078 0.000 1.195 210 P CA 0.135 63.278 63.100 0.071 0.000 0.768 210 P CB 0.443 32.181 31.700 0.063 0.000 0.838 211 I N 3.025 123.633 120.570 0.064 0.000 2.662 211 I HA 0.227 4.397 4.170 -0.000 0.000 0.291 211 I C 0.098 176.278 176.117 0.106 0.000 1.046 211 I CA -0.889 60.464 61.300 0.087 0.000 1.361 211 I CB 0.390 38.423 38.000 0.055 0.000 1.429 211 I HN 0.143 nan 8.210 nan 0.000 0.558 212 F N 8.630 128.580 119.950 -0.000 0.000 2.608 212 F HA 0.227 4.754 4.527 -0.000 0.000 0.380 212 F C -1.913 173.813 175.800 -0.124 0.000 1.083 212 F CA -1.762 56.219 58.000 -0.031 0.000 1.266 212 F CB -0.111 38.883 39.000 -0.010 0.000 1.076 212 F HN 0.312 nan 8.300 nan 0.000 0.574 213 P HA -0.025 nan 4.420 nan 0.000 0.255 213 P C -2.144 174.792 177.300 -0.608 0.000 1.173 213 P CA -0.426 62.199 63.100 -0.792 0.000 0.780 213 P CB 0.325 31.171 31.700 -1.423 0.000 0.758 214 P HA -0.229 nan 4.420 nan 0.000 0.215 214 P C 1.426 178.599 177.300 -0.212 0.000 1.157 214 P CA 1.320 64.313 63.100 -0.179 0.000 0.874 214 P CB 0.035 31.672 31.700 -0.105 0.000 0.790 215 E N -0.337 119.714 120.200 -0.248 0.000 2.118 215 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 215 E C 1.913 178.355 176.600 -0.263 0.000 0.992 215 E CA 0.963 57.259 56.400 -0.173 0.000 0.804 215 E CB -0.672 29.029 29.700 0.001 0.000 0.741 215 E HN 0.137 nan 8.360 nan 0.000 0.458 216 L N 0.236 121.157 121.223 -0.504 0.000 2.083 216 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 216 L C 2.514 179.256 176.870 -0.212 0.000 1.083 216 L CA 0.401 54.968 54.840 -0.455 0.000 0.752 216 L CB -0.232 41.391 42.059 -0.727 0.000 0.899 216 L HN 0.302 nan 8.230 nan 0.000 0.433 217 L N -0.143 120.997 121.223 -0.139 0.000 2.141 217 L HA -0.155 4.185 4.340 -0.000 0.000 0.209 217 L C 2.620 179.386 176.870 -0.173 0.000 1.094 217 L CA 1.591 56.383 54.840 -0.081 0.000 0.763 217 L CB -0.429 41.624 42.059 -0.010 0.000 0.908 217 L HN 0.102 nan 8.230 nan 0.000 0.437 218 R N -1.152 119.259 120.500 -0.148 0.000 2.090 218 R HA -0.056 4.283 4.340 -0.000 0.000 0.228 218 R C 2.148 178.374 176.300 -0.123 0.000 1.110 218 R CA 1.242 57.268 56.100 -0.122 0.000 0.973 218 R CB -0.434 29.812 30.300 -0.090 0.000 0.869 218 R HN 0.318 nan 8.270 nan 0.000 0.440 219 L N 1.719 122.851 121.223 -0.153 0.000 2.275 219 L HA -0.141 4.199 4.340 -0.000 0.000 0.215 219 L C 2.453 179.269 176.870 -0.090 0.000 1.119 219 L CA 1.161 55.919 54.840 -0.137 0.000 0.790 219 L CB -0.535 41.319 42.059 -0.341 0.000 0.919 219 L HN 0.245 nan 8.230 nan 0.000 0.443 220 K N -0.048 120.264 120.400 -0.147 0.000 2.160 220 K HA -0.239 4.081 4.320 -0.000 0.000 0.206 220 K C 1.223 177.772 176.600 -0.084 0.000 1.047 220 K CA 1.918 58.117 56.287 -0.147 0.000 0.930 220 K CB -0.345 31.802 32.500 -0.589 0.000 0.720 220 K HN 0.305 nan 8.250 nan 0.000 0.450 221 D N 1.507 121.847 120.400 -0.100 0.000 2.084 221 D HA -0.069 4.571 4.640 -0.000 0.000 0.196 221 D C 0.626 176.920 176.300 -0.011 0.000 0.985 221 D CA 0.838 54.808 54.000 -0.051 0.000 0.826 221 D CB -0.379 40.387 40.800 -0.056 0.000 0.978 221 D HN 0.042 nan 8.370 nan 0.000 0.456 222 V N 3.719 123.632 119.914 -0.001 0.000 2.625 222 V HA -0.064 4.056 4.120 -0.000 0.000 0.305 222 V C -2.003 174.108 176.094 0.028 0.000 1.055 222 V CA -0.481 61.835 62.300 0.026 0.000 1.209 222 V CB -0.295 31.562 31.823 0.057 0.000 0.877 222 V HN 0.030 nan 8.190 nan 0.000 0.489 223 P HA 0.185 nan 4.420 nan 0.000 0.267 223 P C -2.131 175.179 177.300 0.017 0.000 1.209 223 P CA -0.824 62.287 63.100 0.018 0.000 0.763 223 P CB -0.060 31.654 31.700 0.023 0.000 0.816 224 P HA 0.121 nan 4.420 nan 0.000 0.271 224 P C -0.786 176.555 177.300 0.069 0.000 1.218 224 P CA -0.065 63.003 63.100 -0.054 0.000 0.780 224 P CB 0.885 32.437 31.700 -0.247 0.000 0.901 225 K N 0.896 121.377 120.400 0.135 0.000 2.385 225 K HA 0.360 4.680 4.320 -0.000 0.000 0.248 225 K C -0.349 176.381 176.600 0.216 0.000 0.955 225 K CA -1.142 55.233 56.287 0.147 0.000 0.816 225 K CB 1.638 34.190 32.500 0.088 0.000 1.250 225 K HN 0.379 nan 8.250 nan 0.000 0.434 226 Q N 2.294 122.171 119.800 0.129 0.000 2.315 226 Q HA 0.104 4.444 4.340 -0.000 0.000 0.289 226 Q C -1.141 174.838 176.000 -0.036 0.000 1.044 226 Q CA 0.075 55.910 55.803 0.054 0.000 0.920 226 Q CB 0.468 29.210 28.738 0.007 0.000 1.214 226 Q HN 0.554 nan 8.270 nan 0.000 0.392 227 L N 3.511 124.636 121.223 -0.162 0.000 2.341 227 L HA 0.659 4.999 4.340 -0.000 0.000 0.267 227 L C -0.346 176.217 176.870 -0.512 0.000 1.009 227 L CA -0.961 53.656 54.840 -0.371 0.000 0.819 227 L CB 2.120 43.852 42.059 -0.545 0.000 1.323 227 L HN 0.643 nan 8.230 nan 0.000 0.425 228 R N 1.530 121.675 120.500 -0.591 0.000 2.513 228 R HA 0.620 4.960 4.340 -0.000 0.000 0.301 228 R C -1.952 174.046 176.300 -0.503 0.000 0.968 228 R CA -0.385 55.455 56.100 -0.434 0.000 0.872 228 R CB 1.416 31.609 30.300 -0.178 0.000 1.177 228 R HN 0.461 nan 8.270 nan 0.000 0.444 229 F N 2.141 122.127 119.950 0.059 0.000 2.520 229 F HA 0.403 4.929 4.527 -0.000 0.000 0.322 229 F C -0.065 175.762 175.800 0.045 0.000 1.103 229 F CA -0.889 57.118 58.000 0.011 0.000 0.926 229 F CB 2.412 41.362 39.000 -0.085 0.000 1.154 229 F HN 0.326 nan 8.300 nan 0.000 0.453 230 E N 1.501 121.828 120.200 0.212 0.000 2.218 230 E HA 0.510 4.860 4.350 -0.000 0.000 0.263 230 E C -0.219 176.443 176.600 0.105 0.000 0.879 230 E CA -0.704 55.775 56.400 0.131 0.000 0.762 230 E CB 2.288 32.041 29.700 0.088 0.000 1.166 230 E HN 0.775 nan 8.360 nan 0.000 0.415 231 G N 1.163 110.019 108.800 0.095 0.000 2.753 231 G HA2 0.069 4.029 3.960 -0.000 0.000 0.285 231 G HA3 0.069 4.029 3.960 -0.000 0.000 0.285 231 G C 0.507 175.446 174.900 0.065 0.000 1.344 231 G CA -0.386 44.756 45.100 0.070 0.000 1.050 231 G HN 0.610 nan 8.290 nan 0.000 0.532 232 E N -0.760 119.478 120.200 0.063 0.000 2.110 232 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 232 E C 1.932 178.566 176.600 0.057 0.000 0.988 232 E CA 1.029 57.469 56.400 0.068 0.000 0.804 232 E CB 0.049 29.806 29.700 0.095 0.000 0.745 232 E HN 0.474 nan 8.360 nan 0.000 0.458 233 R N -1.032 119.502 120.500 0.056 0.000 2.556 233 R HA 0.245 4.585 4.340 -0.000 0.000 0.276 233 R C -0.428 175.904 176.300 0.053 0.000 0.931 233 R CA -0.141 55.987 56.100 0.046 0.000 1.061 233 R CB 1.856 32.178 30.300 0.036 0.000 1.432 233 R HN -0.097 nan 8.270 nan 0.000 0.547 234 V N 1.045 121.004 119.914 0.074 0.000 2.769 234 V HA 0.416 4.536 4.120 -0.000 0.000 0.312 234 V C -0.237 175.928 176.094 0.119 0.000 1.061 234 V CA -0.662 61.698 62.300 0.100 0.000 0.931 234 V CB 2.287 34.194 31.823 0.142 0.000 1.010 234 V HN -0.003 nan 8.190 nan 0.000 0.433 235 T N 3.636 118.254 114.554 0.107 0.000 2.829 235 T HA 0.432 4.782 4.350 -0.000 0.000 0.280 235 T C -1.265 173.542 174.700 0.178 0.000 0.999 235 T CA -0.266 61.901 62.100 0.112 0.000 0.983 235 T CB 1.220 70.095 68.868 0.013 0.000 0.968 235 T HN 0.684 nan 8.240 nan 0.000 0.446 236 W N 5.286 126.594 121.300 0.014 0.000 2.600 236 W HA 0.624 5.284 4.660 -0.001 0.000 0.325 236 W C -2.137 174.328 176.519 -0.091 0.000 1.034 236 W CA -1.455 55.896 57.345 0.011 0.000 1.226 236 W CB 0.669 30.212 29.460 0.138 0.000 1.379 236 W HN 0.521 nan 8.180 nan 0.000 0.466 237 I N 5.311 125.807 120.570 -0.123 0.000 2.382 237 I HA 0.057 4.227 4.170 -0.000 0.000 0.286 237 I C -0.122 175.853 176.117 -0.237 0.000 1.002 237 I CA -0.772 60.445 61.300 -0.140 0.000 1.135 237 I CB 2.002 39.914 38.000 -0.147 0.000 1.288 237 I HN 0.260 nan 8.210 nan 0.000 0.448 238 Q N 5.533 125.236 119.800 -0.161 0.000 2.361 238 Q HA 0.494 4.833 4.340 -0.000 0.000 0.250 238 Q C -0.397 175.431 176.000 -0.285 0.000 1.023 238 Q CA -0.293 55.331 55.803 -0.298 0.000 0.915 238 Q CB 1.192 29.648 28.738 -0.469 0.000 1.238 238 Q HN 0.727 nan 8.270 nan 0.000 0.451 239 A N 2.945 125.631 122.820 -0.223 0.000 2.409 239 A HA 0.357 4.677 4.320 -0.000 0.000 0.262 239 A C 0.861 178.478 177.584 0.055 0.000 1.113 239 A CA 0.190 52.179 52.037 -0.080 0.000 0.790 239 A CB 0.388 19.342 19.000 -0.078 0.000 1.046 239 A HN 0.946 nan 8.150 nan 0.000 0.496 240 S N 1.215 117.014 115.700 0.165 0.000 2.486 240 S HA 0.154 4.624 4.470 -0.000 0.000 0.220 240 S C 0.775 175.486 174.600 0.185 0.000 1.011 240 S CA 0.790 59.177 58.200 0.313 0.000 0.921 240 S CB -0.354 63.035 63.200 0.314 0.000 0.785 240 S HN 1.379 nan 8.310 nan 0.000 0.517 241 T N -1.608 113.008 114.554 0.103 0.000 2.896 241 T HA 0.616 4.966 4.350 -0.000 0.000 0.297 241 T C 0.447 175.168 174.700 0.035 0.000 1.108 241 T CA -0.746 61.394 62.100 0.066 0.000 1.004 241 T CB 1.334 70.231 68.868 0.048 0.000 1.159 241 T HN -0.025 nan 8.240 nan 0.000 0.499 242 L N 0.565 121.802 121.223 0.022 0.000 2.046 242 L HA 0.232 4.572 4.340 -0.000 0.000 0.208 242 L C 1.517 178.385 176.870 -0.004 0.000 1.077 242 L CA 1.780 56.621 54.840 0.003 0.000 0.747 242 L CB -0.630 41.428 42.059 -0.003 0.000 0.896 242 L HN 0.707 nan 8.230 nan 0.000 0.432 243 K N 0.638 121.038 120.400 0.000 0.000 2.480 243 K HA 0.063 4.383 4.320 -0.000 0.000 0.241 243 K C 0.163 176.763 176.600 -0.001 0.000 1.261 243 K CA 0.409 56.694 56.287 -0.004 0.000 1.193 243 K CB -0.154 32.345 32.500 -0.002 0.000 1.598 243 K HN 0.580 nan 8.250 nan 0.000 0.278 244 E N -0.192 120.004 120.200 -0.006 0.000 1.964 244 E HA -0.119 4.231 4.350 -0.000 0.000 0.242 244 E C 0.982 177.570 176.600 -0.020 0.000 1.079 244 E CA 0.037 56.433 56.400 -0.007 0.000 1.600 244 E CB -0.289 29.416 29.700 0.008 0.000 3.831 244 E HN 0.235 nan 8.360 nan 0.000 0.963 245 L N 2.071 123.280 121.223 -0.023 0.000 2.027 245 L HA 0.024 4.364 4.340 -0.000 0.000 0.206 245 L C 1.926 178.772 176.870 -0.040 0.000 1.074 245 L CA 1.735 56.551 54.840 -0.040 0.000 0.745 245 L CB -0.380 41.654 42.059 -0.041 0.000 0.898 245 L HN 0.214 nan 8.230 nan 0.000 0.433 246 L N -0.621 120.582 121.223 -0.033 0.000 2.083 246 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 246 L C 2.228 179.075 176.870 -0.038 0.000 1.083 246 L CA 1.212 56.031 54.840 -0.035 0.000 0.752 246 L CB -0.938 41.102 42.059 -0.031 0.000 0.899 246 L HN 0.295 nan 8.230 nan 0.000 0.433 247 D N 0.309 120.688 120.400 -0.035 0.000 2.117 247 D HA -0.114 4.526 4.640 -0.000 0.000 0.198 247 D C 2.438 178.708 176.300 -0.051 0.000 0.982 247 D CA 1.072 55.047 54.000 -0.041 0.000 0.828 247 D CB -0.130 40.651 40.800 -0.032 0.000 0.967 247 D HN 0.243 nan 8.370 nan 0.000 0.464 248 L N 0.570 121.772 121.223 -0.035 0.000 2.083 248 L HA -0.143 4.196 4.340 -0.000 0.000 0.209 248 L C 2.369 179.228 176.870 -0.019 0.000 1.083 248 L CA 0.918 55.750 54.840 -0.012 0.000 0.752 248 L CB -0.248 41.809 42.059 -0.002 0.000 0.899 248 L HN -0.094 nan 8.230 nan 0.000 0.433 249 K N 0.146 120.525 120.400 -0.036 0.000 2.147 249 K HA -0.082 4.238 4.320 -0.000 0.000 0.205 249 K C 2.138 178.707 176.600 -0.052 0.000 1.049 249 K CA 1.399 57.663 56.287 -0.039 0.000 0.936 249 K CB -0.290 32.182 32.500 -0.047 0.000 0.722 249 K HN 0.294 nan 8.250 nan 0.000 0.446 250 A N 1.127 123.906 122.820 -0.067 0.000 1.897 250 A HA -0.159 4.161 4.320 -0.000 0.000 0.215 250 A C 2.088 179.594 177.584 -0.130 0.000 1.181 250 A CA 1.148 53.137 52.037 -0.080 0.000 0.620 250 A CB -0.334 18.623 19.000 -0.071 0.000 0.821 250 A HN 0.364 nan 8.150 nan 0.000 0.443 251 Q N -1.038 118.642 119.800 -0.200 0.000 2.230 251 Q HA -0.061 4.279 4.340 -0.000 0.000 0.202 251 Q C -0.206 175.389 176.000 -0.675 0.000 0.963 251 Q CA 0.933 56.482 55.803 -0.423 0.000 0.866 251 Q CB 0.085 28.530 28.738 -0.489 0.000 0.931 251 Q HN 0.742 nan 8.270 nan 0.000 0.452 252 H N -1.564 117.484 119.070 -0.038 0.000 2.538 252 H HA 0.184 4.739 4.556 -0.001 0.000 0.239 252 H C -2.139 173.162 175.328 -0.045 0.000 1.401 252 H CA -1.892 54.134 56.048 -0.037 0.000 1.499 252 H CB 1.188 30.925 29.762 -0.041 0.000 1.624 252 H HN 0.042 nan 8.280 nan 0.000 0.524 253 P HA -0.185 nan 4.420 nan 0.000 0.218 253 P C 1.658 178.957 177.300 -0.002 0.000 1.148 253 P CA 1.199 64.297 63.100 -0.003 0.000 0.822 253 P CB 0.477 32.168 31.700 -0.015 0.000 0.784 254 E N -0.072 120.142 120.200 0.024 0.000 2.482 254 E HA 0.027 4.377 4.350 -0.000 0.000 0.196 254 E C 0.619 177.211 176.600 -0.013 0.000 1.047 254 E CA 0.136 56.544 56.400 0.014 0.000 0.869 254 E CB -0.989 28.738 29.700 0.046 0.000 0.836 254 E HN 0.041 nan 8.360 nan 0.000 0.520 255 A N 1.968 124.778 122.820 -0.016 0.000 2.498 255 A HA 0.227 4.547 4.320 -0.000 0.000 0.239 255 A C 0.122 177.618 177.584 -0.147 0.000 1.068 255 A CA -0.257 51.737 52.037 -0.072 0.000 0.766 255 A CB 0.351 19.316 19.000 -0.059 0.000 1.003 255 A HN -0.010 nan 8.150 nan 0.000 0.497 256 K N 1.893 122.160 120.400 -0.221 0.000 2.130 256 K HA 0.423 4.742 4.320 -0.000 0.000 0.268 256 K C -0.712 175.723 176.600 -0.275 0.000 0.983 256 K CA -0.302 55.804 56.287 -0.301 0.000 0.893 256 K CB 1.286 33.497 32.500 -0.483 0.000 1.066 256 K HN 0.597 nan 8.250 nan 0.000 0.450 257 L N 2.908 123.988 121.223 -0.238 0.000 2.352 257 L HA 0.229 4.569 4.340 -0.000 0.000 0.272 257 L C -0.137 176.600 176.870 -0.221 0.000 1.109 257 L CA -0.906 53.796 54.840 -0.230 0.000 0.952 257 L CB 0.490 42.451 42.059 -0.162 0.000 1.314 257 L HN 0.106 nan 8.230 nan 0.000 0.427 258 V N 3.824 123.559 119.914 -0.298 0.000 2.555 258 V HA 0.142 4.262 4.120 -0.000 0.000 0.286 258 V C 0.825 176.838 176.094 -0.135 0.000 1.044 258 V CA 0.035 62.211 62.300 -0.207 0.000 1.026 258 V CB 1.880 33.558 31.823 -0.240 0.000 0.981 258 V HN 0.533 nan 8.190 nan 0.000 0.480 259 V N 3.777 123.670 119.914 -0.035 0.000 3.671 259 V HA 0.274 4.394 4.120 -0.000 0.000 0.202 259 V C 1.984 178.117 176.094 0.065 0.000 1.188 259 V CA 1.058 63.362 62.300 0.006 0.000 1.325 259 V CB -0.501 31.315 31.823 -0.013 0.000 1.470 259 V HN 0.839 nan 8.190 nan 0.000 0.520 260 G N -0.532 108.301 108.800 0.055 0.000 2.603 260 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.214 260 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.214 260 G C 0.777 175.742 174.900 0.108 0.000 1.140 260 G CA 0.874 46.022 45.100 0.080 0.000 0.800 260 G HN 0.620 nan 8.290 nan 0.000 0.533 261 N N -0.429 118.332 118.700 0.103 0.000 2.828 261 N HA -0.230 4.510 4.740 -0.000 0.000 0.248 261 N C 1.450 177.037 175.510 0.129 0.000 1.044 261 N CA 1.853 54.978 53.050 0.124 0.000 0.851 261 N CB -1.703 36.883 38.487 0.164 0.000 1.136 261 N HN 0.407 nan 8.380 nan 0.000 0.572 262 T N -3.965 110.661 114.554 0.120 0.000 3.113 262 T HA 0.057 4.407 4.350 -0.000 0.000 0.263 262 T C 1.198 175.977 174.700 0.132 0.000 1.143 262 T CA 1.071 63.251 62.100 0.133 0.000 1.090 262 T CB 0.167 69.117 68.868 0.137 0.000 0.922 262 T HN 0.241 nan 8.240 nan 0.000 0.521 263 E N 0.509 120.780 120.200 0.120 0.000 2.279 263 E HA 0.224 4.574 4.350 -0.000 0.000 0.199 263 E C 2.204 178.891 176.600 0.144 0.000 0.893 263 E CA 0.012 56.482 56.400 0.116 0.000 0.978 263 E CB 0.045 29.795 29.700 0.083 0.000 0.964 263 E HN 0.319 nan 8.360 nan 0.000 0.486 264 I N 1.625 122.272 120.570 0.128 0.000 2.208 264 I HA -0.155 4.015 4.170 -0.000 0.000 0.245 264 I C 2.433 178.688 176.117 0.231 0.000 1.097 264 I CA 1.627 63.036 61.300 0.182 0.000 1.363 264 I CB -1.647 36.419 38.000 0.110 0.000 1.051 264 I HN 0.107 nan 8.210 nan 0.000 0.413 265 G N 1.229 110.144 108.800 0.192 0.000 2.422 265 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.218 265 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.218 265 G C 1.637 176.665 174.900 0.215 0.000 1.146 265 G CA 0.310 45.520 45.100 0.184 0.000 0.769 265 G HN 0.215 nan 8.290 nan 0.000 0.547 266 I N 0.982 121.710 120.570 0.263 0.000 2.286 266 I HA -0.061 4.108 4.170 -0.000 0.000 0.245 266 I C 2.568 178.894 176.117 0.348 0.000 1.104 266 I CA 0.967 62.502 61.300 0.391 0.000 1.397 266 I CB -1.167 36.997 38.000 0.272 0.000 1.072 266 I HN 0.334 nan 8.210 nan 0.000 0.417 267 E N 0.102 120.457 120.200 0.259 0.000 2.077 267 E HA -0.211 4.138 4.350 -0.000 0.000 0.193 267 E C 2.287 178.964 176.600 0.130 0.000 0.989 267 E CA 1.175 57.713 56.400 0.230 0.000 0.800 267 E CB -0.045 29.851 29.700 0.327 0.000 0.746 267 E HN 0.312 nan 8.360 nan 0.000 0.452 268 M N 0.561 120.232 119.600 0.118 0.000 2.077 268 M HA -0.124 4.356 4.480 -0.000 0.000 0.261 268 M C 2.324 178.578 176.300 -0.076 0.000 1.070 268 M CA 1.381 56.675 55.300 -0.010 0.000 1.125 268 M CB -0.658 31.970 32.600 0.047 0.000 1.339 268 M HN -0.099 nan 8.290 nan 0.000 0.409 269 K N 0.179 120.523 120.400 -0.094 0.000 2.103 269 K HA -0.051 4.268 4.320 -0.000 0.000 0.204 269 K C 1.411 177.685 176.600 -0.544 0.000 1.052 269 K CA 1.601 57.667 56.287 -0.368 0.000 0.945 269 K CB -0.156 32.024 32.500 -0.533 0.000 0.722 269 K HN 0.234 nan 8.250 nan 0.000 0.443 270 F N -0.367 119.597 119.950 0.023 0.000 2.712 270 F HA 0.270 4.797 4.527 -0.000 0.000 0.297 270 F C 1.125 176.936 175.800 0.018 0.000 1.114 270 F CA -0.163 57.852 58.000 0.026 0.000 1.305 270 F CB 0.507 39.542 39.000 0.058 0.000 1.086 270 F HN -0.214 nan 8.300 nan 0.000 0.599 271 K N 0.302 120.802 120.400 0.168 0.000 2.397 271 K HA 0.165 4.485 4.320 -0.000 0.000 0.202 271 K C -0.176 176.439 176.600 0.025 0.000 1.022 271 K CA -0.015 56.340 56.287 0.114 0.000 1.141 271 K CB -0.673 31.910 32.500 0.138 0.000 0.857 271 K HN 0.122 nan 8.250 nan 0.000 0.514 272 N N 2.189 120.853 118.700 -0.060 0.000 2.727 272 N HA -0.169 4.571 4.740 -0.000 0.000 0.249 272 N C -0.576 174.861 175.510 -0.122 0.000 1.048 272 N CA 0.887 53.858 53.050 -0.132 0.000 0.714 272 N CB -0.603 37.832 38.487 -0.087 0.000 0.959 272 N HN 0.335 nan 8.380 nan 0.000 0.544 273 Q N 0.234 119.923 119.800 -0.185 0.000 2.214 273 Q HA 0.623 4.963 4.340 -0.000 0.000 0.251 273 Q C 0.002 175.693 176.000 -0.514 0.000 0.936 273 Q CA -0.565 55.009 55.803 -0.382 0.000 0.894 273 Q CB 1.993 30.425 28.738 -0.508 0.000 1.252 273 Q HN 0.330 nan 8.270 nan 0.000 0.448 274 L N 1.981 122.815 121.223 -0.649 0.000 2.504 274 L HA 0.436 4.776 4.340 -0.000 0.000 0.265 274 L C -1.843 174.759 176.870 -0.448 0.000 0.975 274 L CA -0.102 54.471 54.840 -0.446 0.000 0.864 274 L CB 0.752 42.697 42.059 -0.190 0.000 1.212 274 L HN 0.475 nan 8.230 nan 0.000 0.416 275 F N 7.047 127.007 119.950 0.017 0.000 2.308 275 F HA 0.452 4.978 4.527 -0.000 0.000 0.370 275 F C -1.115 174.687 175.800 0.003 0.000 1.100 275 F CA -1.394 56.609 58.000 0.005 0.000 1.108 275 F CB 1.093 40.092 39.000 -0.003 0.000 1.293 275 F HN 0.445 nan 8.300 nan 0.000 0.478 276 P HA -0.146 nan 4.420 nan 0.000 0.225 276 P C 0.145 177.470 177.300 0.042 0.000 1.148 276 P CA 1.052 64.194 63.100 0.069 0.000 0.779 276 P CB 0.421 32.145 31.700 0.039 0.000 0.780 277 M N 0.189 119.808 119.600 0.031 0.000 2.197 277 M HA 0.456 4.935 4.480 -0.000 0.000 0.301 277 M C -1.556 174.696 176.300 -0.081 0.000 0.987 277 M CA -0.860 54.404 55.300 -0.060 0.000 0.921 277 M CB 1.533 34.044 32.600 -0.148 0.000 1.569 277 M HN -0.289 nan 8.290 nan 0.000 0.431 278 I N 5.869 126.353 120.570 -0.143 0.000 2.545 278 I HA 0.520 4.689 4.170 -0.000 0.000 0.292 278 I C -1.104 174.710 176.117 -0.505 0.000 1.040 278 I CA -0.680 60.428 61.300 -0.320 0.000 1.068 278 I CB 2.086 39.861 38.000 -0.376 0.000 1.251 278 I HN 0.664 nan 8.210 nan 0.000 0.424 279 I N 5.417 125.685 120.570 -0.504 0.000 2.418 279 I HA 0.270 4.440 4.170 -0.000 0.000 0.287 279 I C -0.560 175.222 176.117 -0.559 0.000 1.008 279 I CA -0.506 60.509 61.300 -0.476 0.000 1.104 279 I CB 1.882 39.723 38.000 -0.265 0.000 1.264 279 I HN 0.536 nan 8.210 nan 0.000 0.438 280 C N 9.329 128.236 119.300 -0.655 0.000 2.239 280 C HA 0.476 4.935 4.460 -0.000 0.000 0.325 280 C C -1.268 173.546 174.990 -0.294 0.000 1.231 280 C CA -1.487 57.248 59.018 -0.470 0.000 1.652 280 C CB 0.346 27.874 27.740 -0.353 0.000 2.284 280 C HN 0.619 nan 8.230 nan 0.000 0.499 281 P HA 0.129 nan 4.420 nan 0.000 0.262 281 P C 1.105 178.382 177.300 -0.038 0.000 1.304 281 P CA 0.489 63.523 63.100 -0.108 0.000 0.859 281 P CB 0.172 31.818 31.700 -0.090 0.000 1.310 282 A N 0.049 122.839 122.820 -0.051 0.000 1.958 282 A HA -0.173 4.147 4.320 -0.000 0.000 0.221 282 A C 1.805 179.521 177.584 0.220 0.000 1.178 282 A CA 1.381 53.451 52.037 0.054 0.000 0.642 282 A CB -1.694 17.345 19.000 0.064 0.000 0.816 282 A HN 0.205 nan 8.150 nan 0.000 0.453 283 W N -0.131 121.200 121.300 0.052 0.000 2.519 283 W HA 0.206 4.866 4.660 0.000 0.000 0.266 283 W C 0.578 177.114 176.519 0.028 0.000 1.253 283 W CA -0.719 56.658 57.345 0.054 0.000 1.274 283 W CB -0.946 28.559 29.460 0.074 0.000 1.114 283 W HN 0.135 nan 8.180 nan 0.000 0.596 284 I N 4.668 125.376 120.570 0.230 0.000 2.752 284 I HA -0.139 4.031 4.170 -0.000 0.000 0.286 284 I C -0.548 175.616 176.117 0.079 0.000 1.180 284 I CA -0.705 60.671 61.300 0.126 0.000 1.404 284 I CB 0.377 38.417 38.000 0.067 0.000 1.389 284 I HN -0.297 nan 8.210 nan 0.000 0.549 285 P HA -0.212 nan 4.420 nan 0.000 0.216 285 P C 1.074 178.376 177.300 0.004 0.000 1.153 285 P CA 1.546 64.661 63.100 0.025 0.000 0.858 285 P CB 0.276 31.985 31.700 0.015 0.000 0.789 286 E N -0.316 119.884 120.200 0.001 0.000 2.153 286 E HA -0.119 4.231 4.350 -0.000 0.000 0.194 286 E C 1.823 178.411 176.600 -0.020 0.000 0.988 286 E CA 0.861 57.251 56.400 -0.017 0.000 0.811 286 E CB -0.916 28.773 29.700 -0.018 0.000 0.746 286 E HN 0.187 nan 8.360 nan 0.000 0.466 287 L N 0.756 121.975 121.223 -0.007 0.000 2.599 287 L HA 0.046 4.386 4.340 -0.000 0.000 0.230 287 L C 0.980 177.847 176.870 -0.005 0.000 1.141 287 L CA 0.820 55.654 54.840 -0.010 0.000 0.877 287 L CB 0.019 42.074 42.059 -0.006 0.000 1.009 287 L HN 0.118 nan 8.230 nan 0.000 0.447 288 N N -0.889 117.809 118.700 -0.003 0.000 2.159 288 N HA 0.254 4.994 4.740 -0.000 0.000 0.217 288 N C 0.457 175.955 175.510 -0.019 0.000 1.223 288 N CA 0.099 53.146 53.050 -0.004 0.000 0.896 288 N CB 1.048 39.537 38.487 0.004 0.000 1.064 288 N HN 0.155 nan 8.380 nan 0.000 0.518 289 A N 1.073 123.871 122.820 -0.036 0.000 2.407 289 A HA 0.481 4.801 4.320 -0.000 0.000 0.248 289 A C 0.128 177.642 177.584 -0.116 0.000 1.082 289 A CA 0.077 52.074 52.037 -0.068 0.000 0.785 289 A CB 0.679 19.637 19.000 -0.071 0.000 1.020 289 A HN -0.046 nan 8.150 nan 0.000 0.489 290 V N 2.899 122.712 119.914 -0.168 0.000 2.443 290 V HA 0.375 4.495 4.120 -0.000 0.000 0.293 290 V C -0.411 175.479 176.094 -0.340 0.000 1.021 290 V CA -0.387 61.705 62.300 -0.348 0.000 0.848 290 V CB 1.281 32.919 31.823 -0.308 0.000 0.998 290 V HN 1.003 nan 8.190 nan 0.000 0.424 291 E N 3.435 123.367 120.200 -0.448 0.000 2.234 291 E HA 0.481 4.831 4.350 -0.000 0.000 0.266 291 E C -1.135 175.206 176.600 -0.431 0.000 0.877 291 E CA -0.816 55.400 56.400 -0.307 0.000 0.758 291 E CB 1.987 31.569 29.700 -0.197 0.000 1.170 291 E HN 0.661 nan 8.360 nan 0.000 0.415 292 H N 2.080 121.054 119.070 -0.160 0.000 2.741 292 H HA 0.277 4.833 4.556 -0.000 0.000 0.282 292 H C 0.151 175.462 175.328 -0.029 0.000 1.122 292 H CA -0.298 55.694 56.048 -0.094 0.000 1.293 292 H CB 1.106 30.846 29.762 -0.038 0.000 1.415 292 H HN 0.639 nan 8.280 nan 0.000 0.472 293 G N 2.631 111.444 108.800 0.023 0.000 2.613 293 G HA2 0.219 4.179 3.960 -0.000 0.000 0.303 293 G HA3 0.219 4.179 3.960 -0.000 0.000 0.303 293 G C -1.589 173.407 174.900 0.161 0.000 1.312 293 G CA -1.376 43.752 45.100 0.046 0.000 1.036 293 G HN 0.244 nan 8.290 nan 0.000 0.513 294 P HA 0.033 nan 4.420 nan 0.000 0.219 294 P C 1.348 178.787 177.300 0.233 0.000 1.150 294 P CA 0.815 64.006 63.100 0.152 0.000 0.814 294 P CB 0.425 32.162 31.700 0.062 0.000 0.787 295 E N -0.885 119.389 120.200 0.123 0.000 2.400 295 E HA 0.252 4.602 4.350 -0.000 0.000 0.195 295 E C 1.303 177.848 176.600 -0.092 0.000 1.012 295 E CA 0.630 57.073 56.400 0.071 0.000 0.875 295 E CB 0.236 29.927 29.700 -0.016 0.000 0.859 295 E HN 0.218 nan 8.360 nan 0.000 0.498 296 G N 0.293 108.894 108.800 -0.331 0.000 2.336 296 G HA2 0.292 4.252 3.960 -0.000 0.000 0.286 296 G HA3 0.292 4.252 3.960 -0.000 0.000 0.286 296 G C -1.533 173.032 174.900 -0.559 0.000 1.269 296 G CA -0.939 43.642 45.100 -0.864 0.000 0.873 296 G HN -0.007 nan 8.290 nan 0.000 0.494 297 I N 1.406 121.703 120.570 -0.454 0.000 2.378 297 I HA 0.513 4.683 4.170 -0.000 0.000 0.291 297 I C 0.239 176.006 176.117 -0.584 0.000 0.992 297 I CA -0.692 60.259 61.300 -0.582 0.000 1.154 297 I CB 1.869 39.423 38.000 -0.743 0.000 1.315 297 I HN 0.415 nan 8.210 nan 0.000 0.448 298 S N 6.241 121.560 115.700 -0.635 0.000 2.508 298 S HA 0.682 5.152 4.470 -0.000 0.000 0.284 298 S C -0.960 173.239 174.600 -0.669 0.000 1.192 298 S CA -0.290 57.624 58.200 -0.477 0.000 1.070 298 S CB 0.389 63.404 63.200 -0.308 0.000 1.004 298 S HN 0.331 nan 8.310 nan 0.000 0.493 299 F N 2.040 121.854 119.950 -0.227 0.000 2.529 299 F HA 0.533 5.060 4.527 -0.000 0.000 0.320 299 F C 1.048 176.749 175.800 -0.165 0.000 1.118 299 F CA -0.764 57.117 58.000 -0.198 0.000 0.915 299 F CB 1.659 40.539 39.000 -0.200 0.000 1.161 299 F HN 0.734 nan 8.300 nan 0.000 0.445 300 G N 0.734 109.557 108.800 0.039 0.000 2.491 300 G HA2 0.341 4.301 3.960 -0.000 0.000 0.238 300 G HA3 0.341 4.301 3.960 -0.000 0.000 0.238 300 G C 0.818 175.716 174.900 -0.004 0.000 1.277 300 G CA 0.001 45.097 45.100 -0.007 0.000 0.851 300 G HN 0.976 nan 8.290 nan 0.000 0.573 301 A N 1.714 124.515 122.820 -0.031 0.000 2.125 301 A HA 0.171 4.491 4.320 -0.000 0.000 0.219 301 A C 2.448 180.010 177.584 -0.038 0.000 1.156 301 A CA 2.136 54.148 52.037 -0.042 0.000 0.671 301 A CB -0.174 18.798 19.000 -0.045 0.000 0.794 301 A HN 1.269 nan 8.150 nan 0.000 0.459 302 A N -1.599 121.204 122.820 -0.029 0.000 2.238 302 A HA 0.260 4.580 4.320 -0.000 0.000 0.210 302 A C 0.925 178.484 177.584 -0.042 0.000 1.179 302 A CA 0.046 52.066 52.037 -0.028 0.000 0.827 302 A CB -0.769 18.226 19.000 -0.009 0.000 0.856 302 A HN 0.446 nan 8.150 nan 0.000 0.488 303 C N 1.607 120.881 119.300 -0.043 0.000 2.538 303 C HA 0.385 4.845 4.460 -0.000 0.000 0.408 303 C C 1.398 176.311 174.990 -0.128 0.000 1.421 303 C CA -0.348 58.631 59.018 -0.066 0.000 1.642 303 C CB -1.136 26.592 27.740 -0.019 0.000 2.553 303 C HN 0.636 nan 8.230 nan 0.000 0.604 304 A N 4.273 126.998 122.820 -0.158 0.000 2.407 304 A HA 0.386 4.706 4.320 -0.000 0.000 0.248 304 A C 1.117 178.554 177.584 -0.244 0.000 1.082 304 A CA -0.392 51.527 52.037 -0.198 0.000 0.785 304 A CB 0.160 19.013 19.000 -0.245 0.000 1.020 304 A HN 0.947 nan 8.150 nan 0.000 0.489 305 L N 1.976 123.034 121.223 -0.275 0.000 2.127 305 L HA -0.229 4.110 4.340 -0.000 0.000 0.211 305 L C 2.801 179.484 176.870 -0.311 0.000 1.089 305 L CA 1.853 56.480 54.840 -0.354 0.000 0.757 305 L CB -0.611 41.151 42.059 -0.495 0.000 0.899 305 L HN 0.960 nan 8.230 nan 0.000 0.434 306 S N -1.452 114.097 115.700 -0.253 0.000 2.382 306 S HA -0.148 4.322 4.470 -0.000 0.000 0.228 306 S C 2.078 176.564 174.600 -0.190 0.000 1.027 306 S CA 1.316 59.393 58.200 -0.206 0.000 0.991 306 S CB -0.345 62.751 63.200 -0.174 0.000 0.823 306 S HN 0.322 nan 8.310 nan 0.000 0.469 307 S N 1.376 116.957 115.700 -0.197 0.000 2.368 307 S HA 0.024 4.494 4.470 -0.000 0.000 0.224 307 S C 1.964 176.471 174.600 -0.156 0.000 1.029 307 S CA 1.101 59.214 58.200 -0.146 0.000 0.988 307 S CB -0.520 62.607 63.200 -0.122 0.000 0.838 307 S HN 0.433 nan 8.310 nan 0.000 0.462 308 V N 1.816 121.539 119.914 -0.319 0.000 2.343 308 V HA -0.184 3.936 4.120 -0.000 0.000 0.247 308 V C 2.444 178.330 176.094 -0.348 0.000 1.051 308 V CA 1.892 63.838 62.300 -0.589 0.000 1.036 308 V CB -0.587 30.759 31.823 -0.795 0.000 0.654 308 V HN 0.520 nan 8.190 nan 0.000 0.451 309 E N 0.405 120.444 120.200 -0.268 0.000 2.051 309 E HA -0.290 4.060 4.350 -0.000 0.000 0.192 309 E C 2.338 178.861 176.600 -0.127 0.000 0.991 309 E CA 1.673 57.957 56.400 -0.193 0.000 0.799 309 E CB -0.112 29.475 29.700 -0.188 0.000 0.748 309 E HN 0.566 nan 8.360 nan 0.000 0.449 310 K N -0.344 119.991 120.400 -0.108 0.000 2.026 310 K HA -0.126 4.194 4.320 -0.000 0.000 0.208 310 K C 2.068 178.649 176.600 -0.032 0.000 1.048 310 K CA 1.856 58.103 56.287 -0.066 0.000 0.929 310 K CB -0.092 32.370 32.500 -0.063 0.000 0.713 310 K HN 0.091 nan 8.250 nan 0.000 0.439 311 T N 1.970 116.525 114.554 0.001 0.000 2.708 311 T HA -0.109 4.240 4.350 -0.000 0.000 0.266 311 T C 1.789 176.496 174.700 0.011 0.000 1.037 311 T CA 1.324 63.461 62.100 0.062 0.000 1.146 311 T CB -0.120 68.880 68.868 0.220 0.000 0.865 311 T HN 0.167 nan 8.240 nan 0.000 0.435 312 L N 0.303 121.496 121.223 -0.050 0.000 2.141 312 L HA 0.008 4.347 4.340 -0.000 0.000 0.209 312 L C 2.478 179.324 176.870 -0.040 0.000 1.094 312 L CA 0.909 55.664 54.840 -0.142 0.000 0.763 312 L CB -0.593 41.356 42.059 -0.182 0.000 0.908 312 L HN 0.257 nan 8.230 nan 0.000 0.437 313 L N -0.316 120.890 121.223 -0.029 0.000 2.046 313 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 313 L C 2.530 179.409 176.870 0.015 0.000 1.077 313 L CA 1.369 56.206 54.840 -0.004 0.000 0.747 313 L CB -0.405 41.639 42.059 -0.026 0.000 0.896 313 L HN 0.308 nan 8.230 nan 0.000 0.432 314 E N -0.022 120.184 120.200 0.009 0.000 2.150 314 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 314 E C 2.264 178.889 176.600 0.041 0.000 0.985 314 E CA 1.001 57.411 56.400 0.015 0.000 0.814 314 E CB -0.134 29.570 29.700 0.005 0.000 0.752 314 E HN 0.504 nan 8.360 nan 0.000 0.466 315 A N 1.102 123.960 122.820 0.062 0.000 1.898 315 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 315 A C 2.491 180.188 177.584 0.187 0.000 1.181 315 A CA 0.945 53.064 52.037 0.138 0.000 0.620 315 A CB -0.567 18.502 19.000 0.116 0.000 0.819 315 A HN 0.112 nan 8.150 nan 0.000 0.442 316 V N -0.215 119.804 119.914 0.175 0.000 2.594 316 V HA -0.205 3.914 4.120 -0.000 0.000 0.253 316 V C 2.891 179.044 176.094 0.097 0.000 1.069 316 V CA 1.790 64.190 62.300 0.166 0.000 1.082 316 V CB -0.952 30.955 31.823 0.141 0.000 0.680 316 V HN 0.606 nan 8.190 nan 0.000 0.469 317 A N -0.316 122.545 122.820 0.068 0.000 1.975 317 A HA -0.077 4.243 4.320 -0.000 0.000 0.215 317 A C 2.227 179.830 177.584 0.033 0.000 1.170 317 A CA 1.168 53.230 52.037 0.041 0.000 0.656 317 A CB -0.148 18.867 19.000 0.025 0.000 0.821 317 A HN 0.554 nan 8.150 nan 0.000 0.449 318 K N -0.950 119.473 120.400 0.038 0.000 2.334 318 K HA 0.324 4.644 4.320 -0.000 0.000 0.195 318 K C -0.044 176.567 176.600 0.018 0.000 1.045 318 K CA 0.042 56.340 56.287 0.018 0.000 1.004 318 K CB 0.130 32.632 32.500 0.004 0.000 0.837 318 K HN 0.343 nan 8.250 nan 0.000 0.510 319 L N 1.815 123.066 121.223 0.046 0.000 2.352 319 L HA 0.359 4.699 4.340 -0.000 0.000 0.269 319 L C -2.314 174.563 176.870 0.012 0.000 1.034 319 L CA -2.553 52.300 54.840 0.021 0.000 0.806 319 L CB 0.511 42.603 42.059 0.055 0.000 1.244 319 L HN -0.236 nan 8.230 nan 0.000 0.447 320 P HA 0.045 nan 4.420 nan 0.000 0.266 320 P C 0.466 177.763 177.300 -0.006 0.000 1.195 320 P CA -0.016 63.072 63.100 -0.021 0.000 0.768 320 P CB 0.600 32.271 31.700 -0.047 0.000 0.838 321 T N 0.928 115.490 114.554 0.013 0.000 2.699 321 T HA -0.228 4.122 4.350 -0.000 0.000 0.268 321 T C 1.618 176.328 174.700 0.017 0.000 1.036 321 T CA 1.506 63.624 62.100 0.030 0.000 1.147 321 T CB -0.448 68.446 68.868 0.044 0.000 0.862 321 T HN 0.443 nan 8.240 nan 0.000 0.446 322 Q N 0.914 120.716 119.800 0.003 0.000 2.439 322 Q HA -0.006 4.333 4.340 -0.000 0.000 0.211 322 Q C 1.685 177.635 176.000 -0.083 0.000 0.978 322 Q CA 1.337 57.127 55.803 -0.023 0.000 0.897 322 Q CB -0.148 28.572 28.738 -0.030 0.000 0.956 322 Q HN 0.460 nan 8.270 nan 0.000 0.483 323 K N -1.631 118.714 120.400 -0.092 0.000 2.354 323 K HA 0.098 4.418 4.320 -0.000 0.000 0.194 323 K C 0.804 177.283 176.600 -0.203 0.000 1.038 323 K CA 0.951 57.153 56.287 -0.142 0.000 1.052 323 K CB 0.763 33.147 32.500 -0.192 0.000 0.861 323 K HN 0.215 nan 8.250 nan 0.000 0.535 324 T N -1.713 112.754 114.554 -0.146 0.000 3.214 324 T HA 0.196 4.545 4.350 -0.000 0.000 0.264 324 T C 0.978 175.599 174.700 -0.131 0.000 1.012 324 T CA -0.354 61.630 62.100 -0.192 0.000 0.901 324 T CB 0.347 69.281 68.868 0.109 0.000 1.070 324 T HN -0.098 nan 8.240 nan 0.000 0.561 325 E N 1.413 121.536 120.200 -0.129 0.000 2.085 325 E HA -0.087 4.263 4.350 -0.000 0.000 0.194 325 E C 2.164 178.727 176.600 -0.061 0.000 0.994 325 E CA 1.048 57.445 56.400 -0.005 0.000 0.801 325 E CB -0.259 29.470 29.700 0.048 0.000 0.743 325 E HN 0.478 nan 8.360 nan 0.000 0.453 326 V N 1.097 120.807 119.914 -0.341 0.000 2.323 326 V HA -0.202 3.918 4.120 -0.000 0.000 0.244 326 V C 2.204 178.213 176.094 -0.141 0.000 1.041 326 V CA 1.338 63.289 62.300 -0.581 0.000 1.025 326 V CB -0.658 30.783 31.823 -0.635 0.000 0.656 326 V HN 0.070 nan 8.190 nan 0.000 0.451 327 F N 0.987 120.873 119.950 -0.107 0.000 2.120 327 F HA -0.190 4.336 4.527 -0.000 0.000 0.300 327 F C 2.585 178.373 175.800 -0.020 0.000 1.095 327 F CA 1.585 59.563 58.000 -0.038 0.000 1.249 327 F CB -1.181 37.833 39.000 0.022 0.000 0.995 327 F HN 0.070 nan 8.300 nan 0.000 0.480 328 R N 0.065 120.683 120.500 0.197 0.000 2.120 328 R HA -0.044 4.295 4.340 -0.000 0.000 0.234 328 R C 2.578 178.947 176.300 0.114 0.000 1.123 328 R CA 1.139 57.321 56.100 0.136 0.000 0.975 328 R CB -1.163 29.212 30.300 0.125 0.000 0.866 328 R HN 0.351 nan 8.270 nan 0.000 0.446 329 G N -0.716 108.175 108.800 0.152 0.000 2.402 329 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.216 329 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.216 329 G C 1.366 176.319 174.900 0.089 0.000 1.162 329 G CA 0.811 46.033 45.100 0.204 0.000 0.777 329 G HN 0.184 nan 8.290 nan 0.000 0.539 330 V N 0.940 120.880 119.914 0.043 0.000 2.358 330 V HA -0.096 4.024 4.120 -0.000 0.000 0.246 330 V C 2.896 178.966 176.094 -0.040 0.000 1.047 330 V CA 1.289 63.572 62.300 -0.029 0.000 1.035 330 V CB -0.406 31.407 31.823 -0.016 0.000 0.658 330 V HN 0.328 nan 8.190 nan 0.000 0.452 331 L N -0.021 121.195 121.223 -0.012 0.000 2.083 331 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 331 L C 2.659 179.494 176.870 -0.057 0.000 1.083 331 L CA 1.806 56.619 54.840 -0.044 0.000 0.752 331 L CB -0.549 41.502 42.059 -0.013 0.000 0.899 331 L HN 0.394 nan 8.230 nan 0.000 0.433 332 E N -0.068 120.130 120.200 -0.003 0.000 2.077 332 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 332 E C 2.206 178.831 176.600 0.041 0.000 0.989 332 E CA 1.388 57.807 56.400 0.031 0.000 0.800 332 E CB 0.006 29.762 29.700 0.092 0.000 0.746 332 E HN 0.316 nan 8.360 nan 0.000 0.452 333 Q N 0.019 119.848 119.800 0.048 0.000 2.046 333 Q HA -0.054 4.286 4.340 -0.000 0.000 0.200 333 Q C 2.500 178.562 176.000 0.103 0.000 0.975 333 Q CA 1.192 57.059 55.803 0.108 0.000 0.836 333 Q CB -0.365 28.407 28.738 0.057 0.000 0.896 333 Q HN 0.398 nan 8.270 nan 0.000 0.428 334 L N 0.447 121.667 121.223 -0.006 0.000 2.261 334 L HA -0.175 4.165 4.340 -0.000 0.000 0.216 334 L C 2.632 179.433 176.870 -0.114 0.000 1.114 334 L CA 0.879 55.682 54.840 -0.062 0.000 0.777 334 L CB -0.394 41.555 42.059 -0.183 0.000 0.910 334 L HN 0.202 nan 8.230 nan 0.000 0.440 335 R N -0.081 120.253 120.500 -0.277 0.000 2.096 335 R HA -0.178 4.162 4.340 -0.000 0.000 0.235 335 R C 1.024 176.885 176.300 -0.733 0.000 1.127 335 R CA 1.693 57.415 56.100 -0.630 0.000 0.968 335 R CB -0.051 29.690 30.300 -0.931 0.000 0.861 335 R HN 0.398 nan 8.270 nan 0.000 0.440 336 W N -1.016 120.316 121.300 0.052 0.000 2.926 336 W HA 0.248 4.907 4.660 -0.000 0.000 0.419 336 W C -0.530 176.030 176.519 0.069 0.000 0.993 336 W CA -1.015 56.346 57.345 0.026 0.000 2.025 336 W CB 0.202 29.652 29.460 -0.015 0.000 1.152 336 W HN -0.107 nan 8.180 nan 0.000 0.659 337 F N 1.822 121.803 119.950 0.051 0.000 2.350 337 F HA 0.609 5.136 4.527 -0.000 0.000 0.365 337 F C 1.146 176.958 175.800 0.020 0.000 1.122 337 F CA -0.343 57.675 58.000 0.030 0.000 1.139 337 F CB 0.087 39.073 39.000 -0.023 0.000 1.220 337 F HN 0.093 nan 8.300 nan 0.000 0.499 338 A N 3.788 126.727 122.820 0.198 0.000 5.578 338 A HA -0.059 4.261 4.320 -0.000 0.000 0.312 338 A C 0.654 178.338 177.584 0.166 0.000 1.861 338 A CA 1.036 53.185 52.037 0.187 0.000 0.719 338 A CB -1.849 17.323 19.000 0.286 0.000 1.323 338 A HN 1.401 nan 8.150 nan 0.000 0.387 339 G N -3.569 105.318 108.800 0.145 0.000 3.105 339 G HA2 0.540 4.500 3.960 -0.000 0.000 0.277 339 G HA3 0.540 4.500 3.960 -0.000 0.000 0.277 339 G C 0.334 175.268 174.900 0.057 0.000 1.375 339 G CA 0.428 45.582 45.100 0.090 0.000 0.962 339 G HN 0.649 nan 8.290 nan 0.000 0.541 340 K N -0.419 119.990 120.400 0.015 0.000 2.057 340 K HA -0.105 4.215 4.320 -0.000 0.000 0.207 340 K C 2.577 179.199 176.600 0.037 0.000 1.049 340 K CA 1.424 57.706 56.287 -0.008 0.000 0.931 340 K CB -0.397 32.072 32.500 -0.052 0.000 0.714 340 K HN 0.469 nan 8.250 nan 0.000 0.440 341 Q N 0.460 120.301 119.800 0.069 0.000 2.030 341 Q HA -0.116 4.224 4.340 -0.000 0.000 0.204 341 Q C 2.273 178.339 176.000 0.110 0.000 0.986 341 Q CA 1.491 57.358 55.803 0.107 0.000 0.843 341 Q CB -0.573 28.234 28.738 0.115 0.000 0.904 341 Q HN 0.026 nan 8.270 nan 0.000 0.420 342 V N 0.838 120.818 119.914 0.110 0.000 2.307 342 V HA -0.250 3.869 4.120 -0.000 0.000 0.245 342 V C 1.948 178.084 176.094 0.070 0.000 1.045 342 V CA 1.829 64.201 62.300 0.120 0.000 1.024 342 V CB -0.451 31.475 31.823 0.171 0.000 0.651 342 V HN 0.326 nan 8.190 nan 0.000 0.449 343 K N -0.013 120.404 120.400 0.029 0.000 2.209 343 K HA -0.107 4.213 4.320 -0.000 0.000 0.204 343 K C 2.217 178.744 176.600 -0.122 0.000 1.048 343 K CA 1.458 57.688 56.287 -0.095 0.000 0.940 343 K CB -0.203 32.220 32.500 -0.128 0.000 0.729 343 K HN 0.356 nan 8.250 nan 0.000 0.451 344 S N 0.330 115.990 115.700 -0.067 0.000 2.489 344 S HA -0.051 4.419 4.470 -0.000 0.000 0.228 344 S C 1.765 176.239 174.600 -0.210 0.000 0.995 344 S CA 0.980 59.097 58.200 -0.138 0.000 0.934 344 S CB 0.273 63.483 63.200 0.017 0.000 0.771 344 S HN 0.305 nan 8.310 nan 0.000 0.522 345 V N -2.314 117.560 119.914 -0.067 0.000 3.572 345 V HA 0.587 4.707 4.120 -0.000 0.000 0.260 345 V C 0.663 176.741 176.094 -0.027 0.000 1.324 345 V CA -0.004 62.276 62.300 -0.033 0.000 1.068 345 V CB -0.573 31.303 31.823 0.089 0.000 0.837 345 V HN 0.251 nan 8.190 nan 0.000 0.450 346 A N 2.420 125.225 122.820 -0.025 0.000 2.488 346 A HA 0.626 4.946 4.320 -0.000 0.000 0.249 346 A C 0.652 178.191 177.584 -0.076 0.000 1.083 346 A CA 0.710 52.738 52.037 -0.015 0.000 0.768 346 A CB -0.134 18.876 19.000 0.018 0.000 1.017 346 A HN 1.053 nan 8.150 nan 0.000 0.496 347 S N 2.394 118.068 115.700 -0.043 0.000 2.690 347 S HA 0.543 5.012 4.470 -0.000 0.000 0.291 347 S C 0.939 175.509 174.600 -0.050 0.000 1.138 347 S CA -0.766 57.397 58.200 -0.063 0.000 1.013 347 S CB 0.916 64.092 63.200 -0.040 0.000 1.053 347 S HN 0.560 nan 8.310 nan 0.000 0.539 348 L N 1.327 122.508 121.223 -0.069 0.000 2.017 348 L HA 0.037 4.377 4.340 -0.000 0.000 0.208 348 L C 2.810 179.692 176.870 0.019 0.000 1.073 348 L CA 1.647 56.467 54.840 -0.033 0.000 0.745 348 L CB -1.135 40.870 42.059 -0.090 0.000 0.894 348 L HN 1.014 nan 8.230 nan 0.000 0.432 349 G N -0.714 108.081 108.800 -0.008 0.000 2.432 349 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.219 349 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.219 349 G C 1.538 176.462 174.900 0.039 0.000 1.135 349 G CA 0.728 45.834 45.100 0.009 0.000 0.767 349 G HN 0.511 nan 8.290 nan 0.000 0.550 350 G N 0.711 109.531 108.800 0.033 0.000 2.418 350 G HA2 -0.256 3.703 3.960 -0.000 0.000 0.217 350 G HA3 -0.256 3.703 3.960 -0.000 0.000 0.217 350 G C 1.671 176.628 174.900 0.095 0.000 1.158 350 G CA 1.156 46.284 45.100 0.046 0.000 0.771 350 G HN 0.530 nan 8.290 nan 0.000 0.545 351 N N 0.093 118.873 118.700 0.133 0.000 2.171 351 N HA 0.033 4.773 4.740 -0.000 0.000 0.184 351 N C 2.186 177.829 175.510 0.220 0.000 1.021 351 N CA 0.714 53.878 53.050 0.191 0.000 0.854 351 N CB -0.144 38.495 38.487 0.253 0.000 0.994 351 N HN 0.370 nan 8.380 nan 0.000 0.426 352 I N 0.247 120.965 120.570 0.247 0.000 2.163 352 I HA -0.205 3.965 4.170 -0.000 0.000 0.240 352 I C 1.492 177.815 176.117 0.344 0.000 1.081 352 I CA 0.709 62.214 61.300 0.341 0.000 1.353 352 I CB -0.191 37.966 38.000 0.262 0.000 1.054 352 I HN 0.193 nan 8.210 nan 0.000 0.407 353 I N 0.311 121.003 120.570 0.203 0.000 2.546 353 I HA -0.163 4.007 4.170 -0.000 0.000 0.255 353 I C 2.520 178.692 176.117 0.092 0.000 1.163 353 I CA 1.396 62.774 61.300 0.130 0.000 1.457 353 I CB -1.698 36.331 38.000 0.049 0.000 1.092 353 I HN 0.215 nan 8.210 nan 0.000 0.434 354 T N 1.414 116.023 114.554 0.091 0.000 2.833 354 T HA -0.052 4.298 4.350 -0.000 0.000 0.269 354 T C 1.331 176.063 174.700 0.053 0.000 1.054 354 T CA 1.189 63.317 62.100 0.047 0.000 1.135 354 T CB -0.312 68.589 68.868 0.054 0.000 0.869 354 T HN 0.545 nan 8.240 nan 0.000 0.466 355 A N 1.556 124.467 122.820 0.151 0.000 2.687 355 A HA -0.151 4.169 4.320 -0.000 0.000 0.299 355 A C 0.931 178.517 177.584 0.003 0.000 1.497 355 A CA 0.708 52.854 52.037 0.182 0.000 0.751 355 A CB -2.172 17.016 19.000 0.314 0.000 1.048 355 A HN 0.536 nan 8.150 nan 0.000 0.464 356 S N -0.447 115.247 115.700 -0.011 0.000 2.564 356 S HA 0.476 4.946 4.470 -0.000 0.000 0.278 356 S C -0.512 174.065 174.600 -0.039 0.000 1.333 356 S CA -0.693 57.489 58.200 -0.030 0.000 1.048 356 S CB 0.671 63.868 63.200 -0.005 0.000 0.900 356 S HN 0.277 nan 8.310 nan 0.000 0.505 357 P HA -0.083 nan 4.420 nan 0.000 0.218 357 P C 0.697 177.987 177.300 -0.017 0.000 1.146 357 P CA 0.993 64.101 63.100 0.014 0.000 0.813 357 P CB -0.135 31.623 31.700 0.097 0.000 0.778 358 I N -5.173 115.388 120.570 -0.014 0.000 3.891 358 I HA 0.228 4.398 4.170 -0.000 0.000 0.331 358 I C 0.531 176.615 176.117 -0.056 0.000 1.406 358 I CA -0.800 60.483 61.300 -0.029 0.000 1.139 358 I CB -1.025 36.960 38.000 -0.025 0.000 1.056 358 I HN -0.280 nan 8.210 nan 0.000 0.399 359 S N 1.321 116.986 115.700 -0.058 0.000 2.552 359 S HA -0.010 4.459 4.470 -0.000 0.000 0.289 359 S C 0.941 175.505 174.600 -0.059 0.000 1.304 359 S CA 0.085 58.255 58.200 -0.050 0.000 1.063 359 S CB 0.196 63.385 63.200 -0.019 0.000 0.848 359 S HN 0.454 nan 8.310 nan 0.000 0.499 360 D N 3.820 124.186 120.400 -0.056 0.000 2.348 360 D HA 0.089 4.729 4.640 -0.000 0.000 0.211 360 D C 1.479 177.745 176.300 -0.057 0.000 0.998 360 D CA 0.548 54.525 54.000 -0.038 0.000 0.873 360 D CB 0.223 41.010 40.800 -0.021 0.000 0.925 360 D HN 0.516 nan 8.370 nan 0.000 0.524 361 L N 0.335 121.515 121.223 -0.071 0.000 2.316 361 L HA 0.048 4.387 4.340 -0.000 0.000 0.207 361 L C 1.970 178.542 176.870 -0.496 0.000 1.070 361 L CA 0.184 54.795 54.840 -0.382 0.000 0.820 361 L CB -0.115 41.733 42.059 -0.353 0.000 0.992 361 L HN -0.167 nan 8.230 nan 0.000 0.466 362 N N 0.607 119.240 118.700 -0.112 0.000 2.149 362 N HA -0.138 4.602 4.740 -0.000 0.000 0.188 362 N C -0.887 174.633 175.510 0.017 0.000 1.019 362 N CA 1.443 54.537 53.050 0.072 0.000 0.857 362 N CB -1.289 37.208 38.487 0.017 0.000 0.997 362 N HN 0.230 nan 8.380 nan 0.000 0.426 363 P HA -0.040 nan 4.420 nan 0.000 0.217 363 P C 1.691 178.980 177.300 -0.020 0.000 1.150 363 P CA 0.633 63.700 63.100 -0.054 0.000 0.832 363 P CB 0.168 31.808 31.700 -0.099 0.000 0.787 364 V N -1.424 118.446 119.914 -0.073 0.000 2.379 364 V HA -0.182 3.938 4.120 -0.000 0.000 0.245 364 V C 2.112 178.282 176.094 0.126 0.000 1.044 364 V CA 1.616 63.950 62.300 0.057 0.000 1.036 364 V CB -1.257 30.499 31.823 -0.111 0.000 0.664 364 V HN 0.066 nan 8.190 nan 0.000 0.453 365 F N -0.936 119.057 119.950 0.071 0.000 2.186 365 F HA -0.200 4.327 4.527 -0.000 0.000 0.299 365 F C 2.449 178.279 175.800 0.050 0.000 1.090 365 F CA 1.572 59.588 58.000 0.028 0.000 1.307 365 F CB -0.168 38.849 39.000 0.028 0.000 1.019 365 F HN 0.122 nan 8.300 nan 0.000 0.489 366 M N 0.348 120.118 119.600 0.284 0.000 2.123 366 M HA -0.120 4.360 4.480 -0.000 0.000 0.263 366 M C 2.386 178.792 176.300 0.176 0.000 1.069 366 M CA 1.817 57.254 55.300 0.229 0.000 1.133 366 M CB -0.194 32.553 32.600 0.245 0.000 1.356 366 M HN 0.102 nan 8.290 nan 0.000 0.415 367 A N -0.180 122.743 122.820 0.172 0.000 2.015 367 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 367 A C 2.090 179.820 177.584 0.243 0.000 1.163 367 A CA 1.917 54.059 52.037 0.176 0.000 0.646 367 A CB -0.800 18.271 19.000 0.120 0.000 0.806 367 A HN 0.714 nan 8.150 nan 0.000 0.448 368 S N -2.121 113.704 115.700 0.208 0.000 2.548 368 S HA 0.384 4.854 4.470 -0.000 0.000 0.215 368 S C 1.327 175.938 174.600 0.017 0.000 0.976 368 S CA 0.949 59.174 58.200 0.043 0.000 0.908 368 S CB -0.301 62.783 63.200 -0.193 0.000 0.781 368 S HN 1.877 nan 8.310 nan 0.000 0.519 369 G N 1.510 110.344 108.800 0.055 0.000 2.221 369 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.265 369 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.265 369 G C 0.084 174.962 174.900 -0.037 0.000 1.041 369 G CA 0.262 45.370 45.100 0.014 0.000 0.807 369 G HN 0.575 nan 8.290 nan 0.000 0.502 370 T N 0.863 115.400 114.554 -0.028 0.000 2.905 370 T HA 0.217 4.567 4.350 -0.000 0.000 0.299 370 T C 0.967 175.555 174.700 -0.187 0.000 1.024 370 T CA 0.570 62.603 62.100 -0.113 0.000 1.151 370 T CB 0.516 69.289 68.868 -0.159 0.000 0.987 370 T HN 0.424 nan 8.240 nan 0.000 0.535 371 K N 3.383 123.670 120.400 -0.187 0.000 2.276 371 K HA 0.329 4.648 4.320 -0.000 0.000 0.283 371 K C -0.349 176.108 176.600 -0.238 0.000 1.044 371 K CA -0.261 55.911 56.287 -0.191 0.000 0.944 371 K CB 0.587 32.999 32.500 -0.146 0.000 1.012 371 K HN 0.463 nan 8.250 nan 0.000 0.472 372 L N 2.946 124.015 121.223 -0.256 0.000 2.298 372 L HA 0.266 4.606 4.340 -0.000 0.000 0.284 372 L C -0.137 176.627 176.870 -0.176 0.000 1.013 372 L CA -0.705 53.977 54.840 -0.264 0.000 0.824 372 L CB 1.595 43.416 42.059 -0.396 0.000 1.221 372 L HN 0.539 nan 8.230 nan 0.000 0.418 373 T N 4.816 119.285 114.554 -0.142 0.000 2.738 373 T HA 0.524 4.874 4.350 -0.000 0.000 0.298 373 T C 0.081 174.733 174.700 -0.080 0.000 0.962 373 T CA -0.074 61.965 62.100 -0.101 0.000 0.972 373 T CB 0.328 69.140 68.868 -0.093 0.000 0.928 373 T HN 0.278 nan 8.240 nan 0.000 0.474 374 I N 4.421 124.955 120.570 -0.061 0.000 2.354 374 I HA 0.551 4.721 4.170 -0.000 0.000 0.292 374 I C 0.139 176.234 176.117 -0.036 0.000 0.989 374 I CA -1.064 60.213 61.300 -0.039 0.000 1.188 374 I CB 1.525 39.517 38.000 -0.013 0.000 1.342 374 I HN 0.345 nan 8.210 nan 0.000 0.457 375 V N 2.107 122.000 119.914 -0.035 0.000 3.001 375 V HA 0.870 4.990 4.120 -0.000 0.000 0.314 375 V C -0.492 175.583 176.094 -0.033 0.000 1.099 375 V CA -0.394 61.885 62.300 -0.034 0.000 0.989 375 V CB 1.880 33.682 31.823 -0.036 0.000 1.040 375 V HN 0.750 nan 8.190 nan 0.000 0.434 376 S N 0.904 116.585 115.700 -0.032 0.000 2.671 376 S HA 0.538 5.008 4.470 -0.000 0.000 0.277 376 S C -0.626 173.956 174.600 -0.031 0.000 1.165 376 S CA -1.002 57.179 58.200 -0.033 0.000 0.822 376 S CB 1.966 65.147 63.200 -0.032 0.000 1.150 376 S HN 1.146 nan 8.310 nan 0.000 0.479 377 R N 0.742 121.223 120.500 -0.032 0.000 2.457 377 R HA 0.389 4.729 4.340 -0.000 0.000 0.335 377 R C 1.063 177.346 176.300 -0.028 0.000 1.003 377 R CA 1.509 57.591 56.100 -0.030 0.000 1.003 377 R CB -0.785 29.495 30.300 -0.033 0.000 0.950 377 R HN 1.182 nan 8.270 nan 0.000 0.428 378 G N 2.536 111.321 108.800 -0.025 0.000 2.157 378 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.239 378 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.239 378 G C -0.088 174.798 174.900 -0.024 0.000 0.982 378 G CA 0.305 45.391 45.100 -0.023 0.000 0.650 378 G HN 0.808 nan 8.290 nan 0.000 0.527 379 T N -3.041 111.497 114.554 -0.026 0.000 2.900 379 T HA 0.777 5.126 4.350 -0.000 0.000 0.303 379 T C -0.826 173.858 174.700 -0.028 0.000 1.142 379 T CA -0.226 61.859 62.100 -0.026 0.000 1.007 379 T CB 2.908 71.761 68.868 -0.026 0.000 1.156 379 T HN 1.014 nan 8.240 nan 0.000 0.490 380 R N 1.061 121.544 120.500 -0.029 0.000 2.536 380 R HA 0.613 4.953 4.340 -0.000 0.000 0.269 380 R C -1.337 174.943 176.300 -0.033 0.000 1.113 380 R CA -0.704 55.377 56.100 -0.032 0.000 0.948 380 R CB 1.326 31.606 30.300 -0.033 0.000 1.237 380 R HN 1.033 nan 8.270 nan 0.000 0.441 381 R N 1.493 121.971 120.500 -0.037 0.000 2.668 381 R HA 0.536 4.876 4.340 -0.000 0.000 0.272 381 R C -1.665 174.605 176.300 -0.051 0.000 1.019 381 R CA -0.954 55.123 56.100 -0.039 0.000 0.894 381 R CB 2.303 32.585 30.300 -0.031 0.000 1.228 381 R HN 0.437 nan 8.270 nan 0.000 0.460 382 T N 1.962 116.481 114.554 -0.057 0.000 2.840 382 T HA 0.465 4.815 4.350 -0.000 0.000 0.287 382 T C -0.556 174.097 174.700 -0.077 0.000 0.991 382 T CA -0.645 61.410 62.100 -0.076 0.000 0.964 382 T CB 1.424 70.246 68.868 -0.077 0.000 0.954 382 T HN 0.553 nan 8.240 nan 0.000 0.438 383 V N 1.509 121.362 119.914 -0.102 0.000 2.876 383 V HA 0.876 4.996 4.120 -0.000 0.000 0.312 383 V C -2.945 173.063 176.094 -0.143 0.000 1.085 383 V CA -3.082 59.158 62.300 -0.099 0.000 0.945 383 V CB 2.245 34.022 31.823 -0.076 0.000 1.017 383 V HN 0.567 nan 8.190 nan 0.000 0.428 384 P HA 0.266 nan 4.420 nan 0.000 0.280 384 P C -0.341 176.878 177.300 -0.135 0.000 1.244 384 P CA -0.455 62.576 63.100 -0.115 0.000 0.784 384 P CB 1.251 32.915 31.700 -0.061 0.000 0.913 385 M N 3.803 123.294 119.600 -0.181 0.000 2.238 385 M HA 0.059 4.539 4.480 -0.000 0.000 0.350 385 M C -0.276 176.035 176.300 0.018 0.000 1.321 385 M CA 0.988 56.179 55.300 -0.183 0.000 1.097 385 M CB -0.107 32.397 32.600 -0.160 0.000 1.713 385 M HN 0.436 nan 8.290 nan 0.000 0.455 386 D N 2.231 122.681 120.400 0.084 0.000 2.744 386 D HA 0.185 4.825 4.640 -0.000 0.000 0.304 386 D C 0.826 177.269 176.300 0.239 0.000 1.179 386 D CA -0.399 53.703 54.000 0.169 0.000 1.024 386 D CB 0.157 41.029 40.800 0.122 0.000 1.453 386 D HN 0.685 nan 8.370 nan 0.000 0.529 387 H N -1.253 117.930 119.070 0.187 0.000 2.460 387 H HA -0.130 4.426 4.556 -0.000 0.000 0.297 387 H C 1.231 176.693 175.328 0.222 0.000 1.103 387 H CA 2.075 58.252 56.048 0.215 0.000 1.292 387 H CB -1.158 28.691 29.762 0.145 0.000 1.376 387 H HN 0.528 nan 8.280 nan 0.000 0.531 388 T N -2.802 111.537 114.554 -0.359 0.000 3.088 388 T HA -0.082 4.268 4.350 -0.000 0.000 0.259 388 T C 1.725 176.392 174.700 -0.055 0.000 1.122 388 T CA 0.119 62.089 62.100 -0.216 0.000 1.095 388 T CB -0.852 67.840 68.868 -0.293 0.000 0.930 388 T HN 0.223 nan 8.240 nan 0.000 0.508 389 F N 1.818 121.661 119.950 -0.178 0.000 2.333 389 F HA 0.282 4.809 4.527 -0.000 0.000 0.300 389 F C -0.117 175.337 175.800 -0.576 0.000 1.083 389 F CA -0.499 57.268 58.000 -0.388 0.000 1.395 389 F CB -0.194 38.496 39.000 -0.516 0.000 1.056 389 F HN 0.154 nan 8.300 nan 0.000 0.529 390 F N 1.013 120.953 119.950 -0.016 0.000 2.363 390 F HA 0.347 4.874 4.527 -0.000 0.000 0.366 390 F C -1.682 174.096 175.800 -0.038 0.000 1.083 390 F CA -2.320 55.640 58.000 -0.068 0.000 1.176 390 F CB 0.341 39.368 39.000 0.044 0.000 1.432 390 F HN -0.201 nan 8.300 nan 0.000 0.482 391 P HA -0.103 nan 4.420 nan 0.000 0.214 391 P C 0.087 177.429 177.300 0.069 0.000 1.163 391 P CA 1.325 64.436 63.100 0.017 0.000 0.883 391 P CB 0.291 31.963 31.700 -0.047 0.000 0.788 392 S N -4.320 111.428 115.700 0.079 0.000 2.688 392 S HA 0.314 4.784 4.470 -0.000 0.000 0.275 392 S C -1.126 173.565 174.600 0.152 0.000 1.175 392 S CA -0.968 57.302 58.200 0.116 0.000 0.818 392 S CB -0.043 63.214 63.200 0.094 0.000 1.157 392 S HN -0.025 nan 8.310 nan 0.000 0.482 393 Y N 2.746 123.074 120.300 0.047 0.000 2.887 393 Y HA 0.066 4.616 4.550 -0.000 0.000 0.350 393 Y C 1.298 177.230 175.900 0.053 0.000 1.294 393 Y CA 1.170 59.298 58.100 0.046 0.000 1.622 393 Y CB -0.460 38.020 38.460 0.034 0.000 1.201 393 Y HN 0.855 nan 8.280 nan 0.000 0.546 394 R N 2.107 122.371 120.500 -0.393 0.000 3.758 394 R HA -0.254 4.085 4.340 -0.000 0.000 0.299 394 R C -0.628 175.589 176.300 -0.138 0.000 1.182 394 R CA 1.302 57.191 56.100 -0.352 0.000 0.809 394 R CB -1.183 28.736 30.300 -0.633 0.000 1.249 394 R HN 0.618 nan 8.270 nan 0.000 0.497 395 K N -0.144 120.226 120.400 -0.049 0.000 2.385 395 K HA 0.505 4.825 4.320 -0.000 0.000 0.248 395 K C 0.218 176.729 176.600 -0.149 0.000 0.955 395 K CA -0.385 55.854 56.287 -0.080 0.000 0.816 395 K CB 2.264 34.725 32.500 -0.065 0.000 1.250 395 K HN 0.128 nan 8.250 nan 0.000 0.434 396 T N -2.418 111.939 114.554 -0.328 0.000 2.831 396 T HA 0.381 4.731 4.350 -0.000 0.000 0.287 396 T C 0.643 174.950 174.700 -0.655 0.000 1.070 396 T CA -0.936 60.698 62.100 -0.776 0.000 1.010 396 T CB 0.565 68.846 68.868 -0.979 0.000 1.264 396 T HN 0.414 nan 8.240 nan 0.000 0.532 397 L N 0.538 121.222 121.223 -0.898 0.000 2.645 397 L HA 0.237 4.577 4.340 -0.000 0.000 0.235 397 L C 0.282 177.004 176.870 -0.246 0.000 1.150 397 L CA -0.190 54.396 54.840 -0.423 0.000 0.911 397 L CB -0.325 41.569 42.059 -0.274 0.000 1.077 397 L HN 0.410 nan 8.230 nan 0.000 0.438 398 L N 0.696 121.760 121.223 -0.265 0.000 2.453 398 L HA 0.172 4.512 4.340 -0.000 0.000 0.272 398 L C 1.070 177.880 176.870 -0.099 0.000 1.182 398 L CA 0.554 55.323 54.840 -0.118 0.000 0.858 398 L CB 0.803 42.804 42.059 -0.096 0.000 1.120 398 L HN 0.047 nan 8.230 nan 0.000 0.474 399 G N 3.801 112.562 108.800 -0.065 0.000 2.572 399 G HA2 0.325 4.284 3.960 -0.000 0.000 0.261 399 G HA3 0.325 4.284 3.960 -0.000 0.000 0.261 399 G C -1.392 173.474 174.900 -0.056 0.000 1.197 399 G CA -0.727 44.338 45.100 -0.057 0.000 0.870 399 G HN 0.599 nan 8.290 nan 0.000 0.548 400 P HA -0.065 nan 4.420 nan 0.000 0.222 400 P C 0.679 177.952 177.300 -0.044 0.000 1.147 400 P CA 1.222 64.294 63.100 -0.045 0.000 0.790 400 P CB 0.462 32.140 31.700 -0.036 0.000 0.780 401 E N -0.813 119.361 120.200 -0.043 0.000 2.538 401 E HA 0.114 4.464 4.350 -0.000 0.000 0.207 401 E C 0.227 176.801 176.600 -0.043 0.000 1.002 401 E CA -0.162 56.212 56.400 -0.043 0.000 0.952 401 E CB 0.382 30.057 29.700 -0.042 0.000 1.031 401 E HN 0.451 nan 8.360 nan 0.000 0.476 402 E N 0.885 121.060 120.200 -0.043 0.000 2.250 402 E HA 0.464 4.814 4.350 -0.000 0.000 0.269 402 E C -0.412 176.164 176.600 -0.041 0.000 1.018 402 E CA -0.730 55.647 56.400 -0.039 0.000 0.873 402 E CB 1.568 31.248 29.700 -0.033 0.000 1.134 402 E HN 0.005 nan 8.360 nan 0.000 0.403 403 I N -1.616 118.932 120.570 -0.037 0.000 2.802 403 I HA 0.326 4.495 4.170 -0.000 0.000 0.298 403 I C -1.315 174.784 176.117 -0.031 0.000 1.176 403 I CA -1.263 60.014 61.300 -0.038 0.000 1.025 403 I CB 1.064 39.035 38.000 -0.048 0.000 1.243 403 I HN 0.295 nan 8.210 nan 0.000 0.424 404 L N 4.456 125.664 121.223 -0.025 0.000 2.369 404 L HA 0.335 4.675 4.340 -0.000 0.000 0.279 404 L C 0.455 177.298 176.870 -0.045 0.000 1.108 404 L CA 0.140 54.962 54.840 -0.030 0.000 0.852 404 L CB 0.844 42.892 42.059 -0.019 0.000 1.169 404 L HN 0.886 nan 8.230 nan 0.000 0.452 405 L N 4.037 125.228 121.223 -0.053 0.000 2.145 405 L HA 0.310 4.650 4.340 -0.000 0.000 0.201 405 L C 0.699 177.531 176.870 -0.062 0.000 1.075 405 L CA 1.401 56.209 54.840 -0.053 0.000 0.773 405 L CB -0.034 41.994 42.059 -0.052 0.000 0.936 405 L HN 0.848 nan 8.230 nan 0.000 0.451 406 S N -1.866 113.785 115.700 -0.081 0.000 2.596 406 S HA 0.645 5.115 4.470 -0.000 0.000 0.270 406 S C -1.040 173.481 174.600 -0.131 0.000 1.155 406 S CA -0.789 57.356 58.200 -0.092 0.000 0.827 406 S CB 1.637 64.781 63.200 -0.094 0.000 1.130 406 S HN -0.070 nan 8.310 nan 0.000 0.467 407 I N 0.950 121.439 120.570 -0.134 0.000 2.533 407 I HA 0.505 4.675 4.170 -0.000 0.000 0.290 407 I C -0.634 175.391 176.117 -0.154 0.000 1.056 407 I CA -0.250 60.926 61.300 -0.206 0.000 1.057 407 I CB 2.060 39.868 38.000 -0.320 0.000 1.240 407 I HN 0.909 nan 8.210 nan 0.000 0.423 408 E N 6.840 126.928 120.200 -0.188 0.000 2.102 408 E HA 0.475 4.824 4.350 -0.000 0.000 0.263 408 E C -1.092 175.427 176.600 -0.135 0.000 0.894 408 E CA -0.491 55.810 56.400 -0.165 0.000 0.746 408 E CB 0.905 30.501 29.700 -0.173 0.000 1.129 408 E HN 0.476 nan 8.360 nan 0.000 0.416 409 I N 7.412 127.956 120.570 -0.044 0.000 2.396 409 I HA 0.204 4.374 4.170 -0.000 0.000 0.289 409 I C -1.842 174.307 176.117 0.053 0.000 1.056 409 I CA -1.896 59.443 61.300 0.064 0.000 1.365 409 I CB 0.680 38.822 38.000 0.237 0.000 1.407 409 I HN 0.355 nan 8.210 nan 0.000 0.509 410 P HA 0.080 nan 4.420 nan 0.000 0.274 410 P C -1.149 175.947 177.300 -0.340 0.000 1.231 410 P CA -0.066 62.922 63.100 -0.187 0.000 0.790 410 P CB 0.580 32.193 31.700 -0.145 0.000 0.951 411 Y N 0.110 120.275 120.300 -0.225 0.000 2.301 411 Y HA 0.142 4.692 4.550 -0.000 0.000 0.328 411 Y C 1.646 177.345 175.900 -0.335 0.000 1.242 411 Y CA -0.298 57.560 58.100 -0.405 0.000 1.323 411 Y CB 0.742 39.081 38.460 -0.202 0.000 1.266 411 Y HN 0.349 nan 8.280 nan 0.000 0.527 412 S N 2.635 118.218 115.700 -0.195 0.000 2.610 412 S HA 0.582 5.052 4.470 -0.000 0.000 0.273 412 S C -0.332 174.186 174.600 -0.136 0.000 1.274 412 S CA -1.100 56.993 58.200 -0.179 0.000 1.023 412 S CB 1.389 64.471 63.200 -0.197 0.000 0.962 412 S HN 0.626 nan 8.310 nan 0.000 0.523 413 R N 0.322 120.736 120.500 -0.144 0.000 2.606 413 R HA 0.417 4.757 4.340 -0.000 0.000 0.249 413 R C -0.067 176.126 176.300 -0.178 0.000 1.127 413 R CA -0.937 55.085 56.100 -0.130 0.000 1.133 413 R CB 0.386 30.624 30.300 -0.104 0.000 1.243 413 R HN 0.628 nan 8.270 nan 0.000 0.558 414 E N 1.699 121.815 120.200 -0.140 0.000 2.404 414 E HA -0.049 4.301 4.350 -0.000 0.000 0.261 414 E C -0.265 176.218 176.600 -0.194 0.000 1.074 414 E CA 0.459 56.772 56.400 -0.145 0.000 0.917 414 E CB 0.236 29.889 29.700 -0.078 0.000 0.965 414 E HN 0.555 nan 8.360 nan 0.000 0.433 415 D N 0.592 120.840 120.400 -0.252 0.000 3.059 415 D HA -0.216 4.424 4.640 -0.000 0.000 0.220 415 D C -0.048 175.982 176.300 -0.450 0.000 1.169 415 D CA 1.128 54.999 54.000 -0.214 0.000 0.902 415 D CB -0.758 40.047 40.800 0.009 0.000 1.116 415 D HN 0.536 nan 8.370 nan 0.000 0.417 416 E N -0.296 119.432 120.200 -0.786 0.000 2.191 416 E HA 0.523 4.872 4.350 -0.000 0.000 0.263 416 E C -0.960 175.128 176.600 -0.854 0.000 0.881 416 E CA -0.511 55.515 56.400 -0.624 0.000 0.757 416 E CB 1.054 30.572 29.700 -0.305 0.000 1.147 416 E HN -0.090 nan 8.360 nan 0.000 0.414 417 F N 3.367 123.345 119.950 0.045 0.000 2.561 417 F HA 0.600 5.127 4.527 -0.000 0.000 0.321 417 F C -0.619 175.335 175.800 0.256 0.000 1.065 417 F CA -0.974 57.083 58.000 0.095 0.000 0.934 417 F CB 1.528 40.528 39.000 0.001 0.000 1.215 417 F HN 0.382 nan 8.300 nan 0.000 0.471 418 F N 0.433 120.534 119.950 0.252 0.000 2.588 418 F HA 0.729 5.255 4.527 -0.000 0.000 0.310 418 F C -0.766 175.084 175.800 0.083 0.000 1.082 418 F CA -0.399 57.681 58.000 0.133 0.000 0.929 418 F CB 2.097 41.093 39.000 -0.007 0.000 1.254 418 F HN 0.367 nan 8.300 nan 0.000 0.455 419 S N 2.213 117.550 115.700 -0.605 0.000 2.546 419 S HA 0.907 5.377 4.470 -0.000 0.000 0.274 419 S C -1.534 172.398 174.600 -1.112 0.000 1.121 419 S CA -0.596 57.212 58.200 -0.654 0.000 0.887 419 S CB 1.844 64.748 63.200 -0.492 0.000 1.094 419 S HN 0.883 nan 8.310 nan 0.000 0.474 420 A N 2.342 124.571 122.820 -0.986 0.000 2.398 420 A HA 0.891 5.211 4.320 -0.000 0.000 0.301 420 A C -1.465 175.597 177.584 -0.870 0.000 1.041 420 A CA -0.520 51.055 52.037 -0.769 0.000 0.711 420 A CB 0.664 19.514 19.000 -0.251 0.000 1.240 420 A HN 0.656 nan 8.150 nan 0.000 0.420 421 F N 0.952 120.629 119.950 -0.455 0.000 2.588 421 F HA 0.713 5.240 4.527 -0.000 0.000 0.314 421 F C 0.111 175.577 175.800 -0.557 0.000 1.069 421 F CA -0.747 56.864 58.000 -0.648 0.000 0.931 421 F CB 2.651 40.812 39.000 -1.397 0.000 1.260 421 F HN 0.583 nan 8.300 nan 0.000 0.465 422 K N 2.128 122.470 120.400 -0.096 0.000 2.501 422 K HA 0.537 4.857 4.320 -0.000 0.000 0.252 422 K C -1.942 174.733 176.600 0.125 0.000 0.934 422 K CA -0.701 55.620 56.287 0.056 0.000 0.797 422 K CB 2.332 34.872 32.500 0.068 0.000 1.270 422 K HN 0.615 nan 8.250 nan 0.000 0.431 423 Q N 2.640 122.580 119.800 0.233 0.000 2.285 423 Q HA 0.691 5.031 4.340 -0.000 0.000 0.269 423 Q C -1.930 174.110 176.000 0.067 0.000 1.030 423 Q CA -0.352 55.533 55.803 0.137 0.000 0.788 423 Q CB 2.205 31.055 28.738 0.187 0.000 1.266 423 Q HN 0.778 nan 8.270 nan 0.000 0.438 424 A N 1.821 124.661 122.820 0.033 0.000 3.423 424 A HA 0.725 5.045 4.320 -0.000 0.000 0.226 424 A C 0.173 177.803 177.584 0.078 0.000 1.055 424 A CA 0.139 52.203 52.037 0.045 0.000 0.786 424 A CB 0.497 19.494 19.000 -0.005 0.000 1.400 424 A HN 0.652 nan 8.150 nan 0.000 0.673 425 S N -0.918 114.806 115.700 0.040 0.000 2.456 425 S HA 0.204 4.674 4.470 -0.000 0.000 0.224 425 S C 0.860 175.442 174.600 -0.029 0.000 1.035 425 S CA 0.478 58.694 58.200 0.027 0.000 0.940 425 S CB 0.007 63.220 63.200 0.021 0.000 0.799 425 S HN 0.541 nan 8.310 nan 0.000 0.508 426 R N 0.474 120.938 120.500 -0.059 0.000 2.673 426 R HA 0.405 4.745 4.340 -0.000 0.000 0.281 426 R C 0.523 176.740 176.300 -0.139 0.000 0.991 426 R CA -0.657 55.383 56.100 -0.100 0.000 0.896 426 R CB 0.974 31.218 30.300 -0.094 0.000 1.201 426 R HN -0.028 nan 8.270 nan 0.000 0.457 427 R N 1.089 121.450 120.500 -0.231 0.000 2.080 427 R HA -0.113 4.227 4.340 -0.000 0.000 0.236 427 R C -0.178 176.066 176.300 -0.093 0.000 1.137 427 R CA 1.565 57.432 56.100 -0.388 0.000 0.943 427 R CB -0.101 29.796 30.300 -0.672 0.000 0.846 427 R HN 0.540 nan 8.270 nan 0.000 0.431 428 E N 1.003 121.217 120.200 0.023 0.000 2.331 428 E HA 0.009 4.358 4.350 -0.000 0.000 0.272 428 E C -0.543 176.112 176.600 0.092 0.000 1.036 428 E CA -0.159 56.329 56.400 0.146 0.000 0.864 428 E CB 0.535 30.308 29.700 0.121 0.000 1.035 428 E HN 0.038 nan 8.360 nan 0.000 0.408 429 D N 1.821 122.294 120.400 0.121 0.000 2.894 429 D HA -0.226 4.413 4.640 -0.000 0.000 0.216 429 D C -1.177 175.142 176.300 0.032 0.000 1.245 429 D CA 0.939 54.986 54.000 0.079 0.000 0.728 429 D CB -0.549 40.304 40.800 0.089 0.000 0.924 429 D HN 0.369 nan 8.370 nan 0.000 0.395 430 D N 0.287 120.694 120.400 0.011 0.000 2.552 430 D HA 0.476 5.115 4.640 -0.000 0.000 0.239 430 D C -0.159 176.117 176.300 -0.041 0.000 1.139 430 D CA -0.686 53.305 54.000 -0.016 0.000 0.914 430 D CB 1.147 41.934 40.800 -0.021 0.000 1.461 430 D HN 0.168 nan 8.370 nan 0.000 0.462 431 I N 1.404 121.951 120.570 -0.038 0.000 2.428 431 I HA 0.419 4.589 4.170 -0.000 0.000 0.289 431 I C 0.754 176.852 176.117 -0.031 0.000 1.019 431 I CA -0.810 60.458 61.300 -0.052 0.000 1.351 431 I CB 1.365 39.344 38.000 -0.034 0.000 1.412 431 I HN 0.390 nan 8.210 nan 0.000 0.513 432 A N 6.700 129.496 122.820 -0.040 0.000 2.498 432 A HA 0.134 4.454 4.320 -0.000 0.000 0.239 432 A C 1.085 178.669 177.584 0.001 0.000 1.068 432 A CA -0.053 51.980 52.037 -0.007 0.000 0.766 432 A CB 0.388 19.389 19.000 0.001 0.000 1.003 432 A HN 0.749 nan 8.150 nan 0.000 0.497 433 K N 0.695 121.099 120.400 0.007 0.000 2.099 433 K HA 0.197 4.517 4.320 -0.000 0.000 0.203 433 K C -0.080 176.488 176.600 -0.054 0.000 1.047 433 K CA 1.135 57.407 56.287 -0.025 0.000 0.963 433 K CB 0.123 32.603 32.500 -0.034 0.000 0.759 433 K HN 0.528 nan 8.250 nan 0.000 0.451 434 V N 0.479 120.382 119.914 -0.017 0.000 2.777 434 V HA 0.286 4.406 4.120 -0.000 0.000 0.306 434 V C -0.616 175.651 176.094 0.289 0.000 1.112 434 V CA -0.836 61.509 62.300 0.075 0.000 0.917 434 V CB 2.080 33.855 31.823 -0.079 0.000 1.018 434 V HN 0.167 nan 8.190 nan 0.000 0.426 435 T N 3.181 117.895 114.554 0.266 0.000 2.900 435 T HA 0.816 5.166 4.350 -0.000 0.000 0.303 435 T C -0.898 173.860 174.700 0.096 0.000 1.142 435 T CA -0.031 62.172 62.100 0.173 0.000 1.007 435 T CB 1.459 70.358 68.868 0.051 0.000 1.156 435 T HN 1.408 nan 8.240 nan 0.000 0.490 436 C N 0.729 119.966 119.300 -0.105 0.000 3.321 436 C HA 1.017 5.477 4.460 -0.000 0.000 0.329 436 C C -0.081 174.667 174.990 -0.404 0.000 1.394 436 C CA -0.448 58.393 59.018 -0.295 0.000 1.291 436 C CB 0.887 28.337 27.740 -0.484 0.000 1.606 436 C HN 1.229 nan 8.230 nan 0.000 0.463 437 G N 1.069 109.588 108.800 -0.468 0.000 2.707 437 G HA2 0.710 4.670 3.960 -0.000 0.000 0.299 437 G HA3 0.710 4.670 3.960 -0.000 0.000 0.299 437 G C -1.280 173.170 174.900 -0.751 0.000 1.442 437 G CA -0.615 44.163 45.100 -0.536 0.000 1.009 437 G HN 0.870 nan 8.290 nan 0.000 0.515 438 M N 2.078 120.928 119.600 -1.250 0.000 2.263 438 M HA 0.525 5.005 4.480 -0.000 0.000 0.295 438 M C -0.424 175.167 176.300 -1.182 0.000 1.028 438 M CA -0.738 53.837 55.300 -1.208 0.000 0.921 438 M CB 3.342 34.917 32.600 -1.708 0.000 1.601 438 M HN 0.510 nan 8.290 nan 0.000 0.440 439 R N 1.929 122.172 120.500 -0.427 0.000 2.686 439 R HA 0.870 5.210 4.340 -0.000 0.000 0.283 439 R C -2.168 174.246 176.300 0.190 0.000 0.978 439 R CA -0.681 55.458 56.100 0.064 0.000 0.897 439 R CB 2.597 33.063 30.300 0.276 0.000 1.192 439 R HN 0.633 nan 8.270 nan 0.000 0.457 440 V N 5.543 125.576 119.914 0.198 0.000 2.760 440 V HA 0.591 4.711 4.120 -0.000 0.000 0.309 440 V C -1.854 174.060 176.094 -0.299 0.000 1.077 440 V CA -0.836 61.411 62.300 -0.089 0.000 0.910 440 V CB 1.968 33.590 31.823 -0.336 0.000 1.008 440 V HN 0.719 nan 8.190 nan 0.000 0.424 441 L N 6.968 127.957 121.223 -0.390 0.000 2.376 441 L HA 0.734 5.074 4.340 -0.000 0.000 0.275 441 L C -1.305 175.336 176.870 -0.382 0.000 0.987 441 L CA 0.108 54.758 54.840 -0.317 0.000 0.828 441 L CB 1.456 43.423 42.059 -0.153 0.000 1.249 441 L HN 0.565 nan 8.230 nan 0.000 0.409 442 F N 2.023 121.930 119.950 -0.071 0.000 2.408 442 F HA 0.543 5.070 4.527 -0.000 0.000 0.325 442 F C 0.733 176.503 175.800 -0.051 0.000 1.082 442 F CA -0.604 57.365 58.000 -0.052 0.000 1.032 442 F CB 0.710 39.691 39.000 -0.032 0.000 1.259 442 F HN 0.392 nan 8.300 nan 0.000 0.503 443 Q N 1.149 121.051 119.800 0.169 0.000 2.421 443 Q HA 0.161 4.501 4.340 -0.000 0.000 0.255 443 Q C -2.311 173.742 176.000 0.087 0.000 1.013 443 Q CA -1.749 54.103 55.803 0.081 0.000 0.895 443 Q CB 0.020 28.789 28.738 0.052 0.000 1.271 443 Q HN 0.172 nan 8.270 nan 0.000 0.460 444 P HA -0.109 nan 4.420 nan 0.000 0.257 444 P C 0.379 177.704 177.300 0.043 0.000 1.162 444 P CA 1.401 64.524 63.100 0.038 0.000 0.762 444 P CB 0.041 31.756 31.700 0.024 0.000 0.753 445 G N 2.321 111.143 108.800 0.036 0.000 2.233 445 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.270 445 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.270 445 G C 0.345 175.257 174.900 0.020 0.000 1.011 445 G CA 0.579 45.694 45.100 0.025 0.000 0.762 445 G HN 0.783 nan 8.290 nan 0.000 0.511 446 S N -1.980 113.734 115.700 0.024 0.000 2.810 446 S HA 0.811 5.281 4.470 -0.000 0.000 0.315 446 S C 0.602 175.114 174.600 -0.146 0.000 1.138 446 S CA -0.516 57.696 58.200 0.019 0.000 0.889 446 S CB 1.538 64.799 63.200 0.103 0.000 1.236 446 S HN 0.201 nan 8.310 nan 0.000 0.548 447 M N 0.595 120.149 119.600 -0.076 0.000 2.589 447 M HA 0.311 4.791 4.480 -0.000 0.000 0.344 447 M C 0.067 176.427 176.300 0.098 0.000 1.168 447 M CA -0.025 55.094 55.300 -0.300 0.000 0.956 447 M CB 0.466 33.059 32.600 -0.011 0.000 1.370 447 M HN 0.717 nan 8.290 nan 0.000 0.518 448 Q N 1.890 121.707 119.800 0.028 0.000 2.303 448 Q HA 0.350 4.690 4.340 -0.000 0.000 0.257 448 Q C -0.757 175.325 176.000 0.138 0.000 0.941 448 Q CA -0.425 55.167 55.803 -0.352 0.000 0.931 448 Q CB 1.469 29.767 28.738 -0.733 0.000 1.215 448 Q HN 0.131 nan 8.270 nan 0.000 0.437 449 V N 5.586 125.576 119.914 0.127 0.000 2.493 449 V HA -0.073 4.047 4.120 -0.000 0.000 0.292 449 V C 1.063 177.139 176.094 -0.029 0.000 1.016 449 V CA 0.738 63.057 62.300 0.032 0.000 1.097 449 V CB 0.757 32.653 31.823 0.122 0.000 0.947 449 V HN 0.884 nan 8.190 nan 0.000 0.479 450 K N 3.708 124.066 120.400 -0.069 0.000 2.240 450 K HA 0.234 4.554 4.320 -0.000 0.000 0.202 450 K C 0.460 177.037 176.600 -0.038 0.000 1.053 450 K CA 0.370 56.633 56.287 -0.040 0.000 0.973 450 K CB 0.564 33.044 32.500 -0.033 0.000 0.924 450 K HN 0.791 nan 8.250 nan 0.000 0.477 451 E N 0.450 120.607 120.200 -0.071 0.000 2.293 451 E HA 0.383 4.733 4.350 -0.000 0.000 0.270 451 E C -1.940 174.643 176.600 -0.029 0.000 0.879 451 E CA -0.807 55.572 56.400 -0.036 0.000 0.756 451 E CB 2.434 32.115 29.700 -0.032 0.000 1.208 451 E HN -0.007 nan 8.360 nan 0.000 0.428 452 L N 1.724 122.968 121.223 0.035 0.000 2.493 452 L HA 0.755 5.094 4.340 -0.000 0.000 0.265 452 L C -1.976 174.947 176.870 0.088 0.000 0.954 452 L CA -0.304 54.597 54.840 0.103 0.000 0.844 452 L CB 1.989 44.154 42.059 0.178 0.000 1.302 452 L HN 0.631 nan 8.230 nan 0.000 0.405 453 A N 5.884 128.754 122.820 0.083 0.000 2.414 453 A HA 0.771 5.091 4.320 -0.000 0.000 0.286 453 A C -1.747 175.815 177.584 -0.036 0.000 1.073 453 A CA -0.339 51.720 52.037 0.036 0.000 0.727 453 A CB 0.966 19.993 19.000 0.044 0.000 1.215 453 A HN 0.610 nan 8.150 nan 0.000 0.430 454 L N 2.467 123.679 121.223 -0.018 0.000 2.324 454 L HA 0.388 4.728 4.340 -0.000 0.000 0.274 454 L C -0.926 175.887 176.870 -0.095 0.000 1.012 454 L CA -0.421 54.359 54.840 -0.100 0.000 0.859 454 L CB 1.201 43.312 42.059 0.088 0.000 1.224 454 L HN 0.676 nan 8.230 nan 0.000 0.429 455 C N 2.394 121.544 119.300 -0.249 0.000 2.329 455 C HA 0.661 5.121 4.460 -0.000 0.000 0.329 455 C C -0.247 174.583 174.990 -0.267 0.000 1.275 455 C CA -0.801 58.146 59.018 -0.118 0.000 1.726 455 C CB 0.261 27.977 27.740 -0.040 0.000 2.291 455 C HN 0.492 nan 8.230 nan 0.000 0.514 456 Y N 0.655 120.952 120.300 -0.005 0.000 2.524 456 Y HA 0.692 5.241 4.550 -0.000 0.000 0.344 456 Y C 0.674 176.561 175.900 -0.022 0.000 1.012 456 Y CA -0.298 57.803 58.100 0.003 0.000 1.068 456 Y CB 1.671 40.143 38.460 0.020 0.000 1.249 456 Y HN 0.818 nan 8.280 nan 0.000 0.468 457 G N -0.721 108.172 108.800 0.155 0.000 2.453 457 G HA2 0.476 4.435 3.960 -0.000 0.000 0.323 457 G HA3 0.476 4.435 3.960 -0.000 0.000 0.323 457 G C 0.409 175.350 174.900 0.068 0.000 1.198 457 G CA -0.551 44.583 45.100 0.056 0.000 0.959 457 G HN 1.265 nan 8.290 nan 0.000 0.482 458 G N 0.434 109.249 108.800 0.024 0.000 2.143 458 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.249 458 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.249 458 G C 0.862 175.749 174.900 -0.022 0.000 0.981 458 G CA 0.771 45.873 45.100 0.002 0.000 0.665 458 G HN 0.542 nan 8.290 nan 0.000 0.528 459 M N -0.551 119.041 119.600 -0.015 0.000 2.300 459 M HA 0.636 5.116 4.480 -0.000 0.000 0.313 459 M C 0.839 177.115 176.300 -0.039 0.000 0.988 459 M CA 0.785 56.051 55.300 -0.056 0.000 1.012 459 M CB 0.327 32.865 32.600 -0.105 0.000 1.586 459 M HN 1.101 nan 8.290 nan 0.000 0.562 460 A N 0.549 123.363 122.820 -0.010 0.000 2.493 460 A HA 0.520 4.840 4.320 -0.000 0.000 0.300 460 A C -0.763 176.837 177.584 0.027 0.000 1.152 460 A CA -0.358 51.680 52.037 0.002 0.000 0.643 460 A CB 0.205 19.215 19.000 0.017 0.000 1.316 460 A HN 0.238 nan 8.150 nan 0.000 0.469 461 D N -0.317 120.112 120.400 0.048 0.000 2.323 461 D HA 0.232 4.871 4.640 -0.000 0.000 0.239 461 D C 0.420 176.847 176.300 0.212 0.000 1.129 461 D CA 0.325 54.400 54.000 0.125 0.000 0.865 461 D CB -0.362 40.476 40.800 0.063 0.000 0.913 461 D HN 0.715 nan 8.370 nan 0.000 0.517 462 R N -3.421 117.139 120.500 0.100 0.000 2.741 462 R HA 0.449 4.789 4.340 -0.000 0.000 0.276 462 R C -1.275 174.998 176.300 -0.046 0.000 1.028 462 R CA -0.965 55.156 56.100 0.035 0.000 0.865 462 R CB -0.184 30.172 30.300 0.094 0.000 1.268 462 R HN -0.223 nan 8.270 nan 0.000 0.475 463 T N 2.410 116.833 114.554 -0.218 0.000 2.799 463 T HA 0.370 4.720 4.350 -0.000 0.000 0.296 463 T C 0.428 175.109 174.700 -0.032 0.000 0.947 463 T CA -0.163 61.815 62.100 -0.202 0.000 1.141 463 T CB -0.229 68.352 68.868 -0.477 0.000 0.891 463 T HN 0.419 nan 8.240 nan 0.000 0.533 464 I N -0.338 120.265 120.570 0.055 0.000 2.957 464 I HA 0.861 5.031 4.170 -0.000 0.000 0.310 464 I C -0.217 175.987 176.117 0.145 0.000 1.063 464 I CA -1.060 60.309 61.300 0.116 0.000 1.033 464 I CB 2.375 40.432 38.000 0.096 0.000 1.230 464 I HN 0.467 nan 8.210 nan 0.000 0.447 465 S N 2.120 117.903 115.700 0.138 0.000 2.502 465 S HA 0.720 5.190 4.470 -0.000 0.000 0.304 465 S C -0.009 174.635 174.600 0.073 0.000 1.097 465 S CA -0.473 57.794 58.200 0.112 0.000 1.045 465 S CB 1.598 64.850 63.200 0.087 0.000 1.019 465 S HN 0.946 nan 8.310 nan 0.000 0.481 466 A N 5.914 128.793 122.820 0.099 0.000 3.074 466 A HA 0.331 4.651 4.320 -0.000 0.000 0.251 466 A C 1.334 178.919 177.584 0.002 0.000 1.695 466 A CA -0.293 51.773 52.037 0.049 0.000 1.343 466 A CB -1.022 18.024 19.000 0.077 0.000 1.078 466 A HN 0.953 nan 8.150 nan 0.000 0.644 467 L N -0.087 121.113 121.223 -0.038 0.000 2.043 467 L HA -0.275 4.065 4.340 -0.000 0.000 0.212 467 L C 2.666 179.508 176.870 -0.046 0.000 1.075 467 L CA 2.152 56.948 54.840 -0.072 0.000 0.752 467 L CB -0.352 41.603 42.059 -0.173 0.000 0.891 467 L HN 0.719 nan 8.230 nan 0.000 0.432 468 K N -0.411 119.966 120.400 -0.040 0.000 2.032 468 K HA -0.194 4.126 4.320 -0.000 0.000 0.209 468 K C 1.991 178.574 176.600 -0.028 0.000 1.048 468 K CA 2.069 58.339 56.287 -0.029 0.000 0.927 468 K CB -0.088 32.396 32.500 -0.026 0.000 0.712 468 K HN 0.235 nan 8.250 nan 0.000 0.441 469 T N 0.317 114.849 114.554 -0.035 0.000 2.701 469 T HA -0.126 4.224 4.350 -0.000 0.000 0.263 469 T C 1.922 176.598 174.700 -0.041 0.000 1.040 469 T CA 1.999 64.068 62.100 -0.051 0.000 1.147 469 T CB -0.525 68.296 68.868 -0.080 0.000 0.865 469 T HN 0.602 nan 8.240 nan 0.000 0.426 470 T N 0.839 115.380 114.554 -0.021 0.000 2.833 470 T HA -0.152 4.198 4.350 -0.000 0.000 0.269 470 T C 1.973 176.687 174.700 0.023 0.000 1.054 470 T CA 1.279 63.387 62.100 0.013 0.000 1.135 470 T CB -0.456 68.434 68.868 0.037 0.000 0.869 470 T HN 0.393 nan 8.240 nan 0.000 0.466 471 Q N 1.367 121.171 119.800 0.006 0.000 2.135 471 Q HA -0.141 4.198 4.340 -0.000 0.000 0.204 471 Q C 2.009 178.020 176.000 0.018 0.000 0.981 471 Q CA 1.350 57.159 55.803 0.009 0.000 0.856 471 Q CB -0.190 28.546 28.738 -0.003 0.000 0.902 471 Q HN 0.585 nan 8.270 nan 0.000 0.425 472 K N -0.369 120.038 120.400 0.012 0.000 2.439 472 K HA -0.076 4.244 4.320 -0.000 0.000 0.197 472 K C 1.522 178.143 176.600 0.036 0.000 1.041 472 K CA 0.531 56.829 56.287 0.018 0.000 0.970 472 K CB 0.281 32.784 32.500 0.005 0.000 0.773 472 K HN 0.215 nan 8.250 nan 0.000 0.479 473 Q N 0.308 120.137 119.800 0.048 0.000 2.282 473 Q HA 0.164 4.504 4.340 -0.000 0.000 0.206 473 Q C 0.351 176.407 176.000 0.093 0.000 0.878 473 Q CA 0.124 55.977 55.803 0.083 0.000 0.944 473 Q CB 0.369 29.172 28.738 0.108 0.000 1.100 473 Q HN 0.312 nan 8.270 nan 0.000 0.509 474 L N 2.009 123.270 121.223 0.064 0.000 2.490 474 L HA -0.061 4.279 4.340 -0.000 0.000 0.274 474 L C 1.159 178.052 176.870 0.038 0.000 1.201 474 L CA 0.811 55.679 54.840 0.046 0.000 0.869 474 L CB 0.087 42.166 42.059 0.032 0.000 1.123 474 L HN 0.379 nan 8.230 nan 0.000 0.484 475 S N 0.393 116.097 115.700 0.007 0.000 2.857 475 S HA -0.207 4.263 4.470 -0.000 0.000 0.268 475 S C 0.198 174.775 174.600 -0.038 0.000 1.297 475 S CA 1.288 59.472 58.200 -0.026 0.000 1.280 475 S CB -1.039 62.177 63.200 0.026 0.000 1.562 475 S HN 0.714 nan 8.310 nan 0.000 0.661 476 K N 0.628 121.047 120.400 0.032 0.000 2.098 476 K HA 0.818 5.137 4.320 -0.000 0.000 0.244 476 K C -0.156 176.490 176.600 0.076 0.000 1.014 476 K CA -0.410 55.966 56.287 0.148 0.000 0.917 476 K CB 0.161 32.770 32.500 0.181 0.000 1.072 476 K HN 0.249 nan 8.250 nan 0.000 0.477 477 F N 0.049 120.149 119.950 0.249 0.000 2.470 477 F HA 0.281 4.808 4.527 -0.000 0.000 0.329 477 F C -0.025 176.024 175.800 0.415 0.000 1.072 477 F CA -0.646 57.548 58.000 0.322 0.000 0.989 477 F CB 0.937 40.064 39.000 0.211 0.000 1.193 477 F HN 0.362 nan 8.300 nan 0.000 0.481 478 W N 5.743 127.299 121.300 0.427 0.000 2.666 478 W HA 0.123 4.782 4.660 -0.000 0.000 0.365 478 W C -0.834 175.905 176.519 0.367 0.000 1.224 478 W CA 0.094 57.684 57.345 0.408 0.000 1.515 478 W CB -0.119 29.522 29.460 0.302 0.000 1.562 478 W HN 0.750 nan 8.180 nan 0.000 0.455 479 N N 0.736 119.617 118.700 0.301 0.000 3.039 479 N HA 0.083 4.823 4.740 -0.000 0.000 0.257 479 N C 0.391 175.992 175.510 0.150 0.000 1.497 479 N CA -0.600 52.612 53.050 0.270 0.000 0.861 479 N CB 0.472 39.081 38.487 0.202 0.000 1.479 479 N HN 0.018 nan 8.380 nan 0.000 0.547 480 E N 0.167 120.453 120.200 0.143 0.000 2.097 480 E HA -0.246 4.104 4.350 -0.000 0.000 0.196 480 E C 1.326 177.892 176.600 -0.056 0.000 1.000 480 E CA 1.794 58.208 56.400 0.024 0.000 0.804 480 E CB -0.028 29.716 29.700 0.075 0.000 0.740 480 E HN 0.559 nan 8.360 nan 0.000 0.454 481 K N 0.228 120.625 120.400 -0.005 0.000 2.057 481 K HA -0.072 4.248 4.320 -0.000 0.000 0.207 481 K C 2.204 178.782 176.600 -0.037 0.000 1.049 481 K CA 1.378 57.658 56.287 -0.010 0.000 0.931 481 K CB -0.664 31.852 32.500 0.026 0.000 0.714 481 K HN 0.336 nan 8.250 nan 0.000 0.440 482 L N 0.135 121.334 121.223 -0.041 0.000 2.093 482 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 482 L C 2.085 178.867 176.870 -0.147 0.000 1.085 482 L CA 1.166 55.967 54.840 -0.064 0.000 0.755 482 L CB -0.368 41.670 42.059 -0.036 0.000 0.904 482 L HN 0.293 nan 8.230 nan 0.000 0.435 483 L N -0.168 120.867 121.223 -0.313 0.000 2.046 483 L HA -0.253 4.087 4.340 -0.000 0.000 0.208 483 L C 2.420 179.233 176.870 -0.096 0.000 1.077 483 L CA 1.832 56.484 54.840 -0.313 0.000 0.747 483 L CB -0.632 40.960 42.059 -0.778 0.000 0.896 483 L HN 0.382 nan 8.230 nan 0.000 0.432 484 Q N -0.646 119.089 119.800 -0.108 0.000 2.046 484 Q HA -0.194 4.146 4.340 -0.000 0.000 0.200 484 Q C 1.901 177.863 176.000 -0.064 0.000 0.975 484 Q CA 1.766 57.526 55.803 -0.071 0.000 0.836 484 Q CB -0.178 28.522 28.738 -0.064 0.000 0.896 484 Q HN 0.554 nan 8.270 nan 0.000 0.428 485 D N -0.020 120.340 120.400 -0.066 0.000 2.097 485 D HA -0.137 4.503 4.640 -0.000 0.000 0.195 485 D C 2.015 178.254 176.300 -0.102 0.000 0.989 485 D CA 0.995 54.956 54.000 -0.065 0.000 0.827 485 D CB -0.316 40.457 40.800 -0.045 0.000 0.966 485 D HN 0.033 nan 8.370 nan 0.000 0.456 486 V N 0.731 120.548 119.914 -0.161 0.000 2.287 486 V HA -0.292 3.827 4.120 -0.000 0.000 0.248 486 V C 2.737 178.685 176.094 -0.243 0.000 1.053 486 V CA 1.446 63.558 62.300 -0.312 0.000 1.027 486 V CB -0.581 30.799 31.823 -0.738 0.000 0.646 486 V HN 0.297 nan 8.190 nan 0.000 0.447 487 C N 0.093 119.324 119.300 -0.116 0.000 2.425 487 C HA -0.077 4.382 4.460 -0.000 0.000 0.277 487 C C 3.080 178.045 174.990 -0.042 0.000 1.280 487 C CA 0.743 59.753 59.018 -0.014 0.000 1.744 487 C CB -1.370 26.433 27.740 0.106 0.000 1.989 487 C HN 0.646 nan 8.230 nan 0.000 0.491 488 A N 0.764 123.551 122.820 -0.056 0.000 1.898 488 A HA 0.091 4.411 4.320 -0.000 0.000 0.216 488 A C 2.411 179.957 177.584 -0.062 0.000 1.181 488 A CA 2.037 54.042 52.037 -0.054 0.000 0.620 488 A CB -1.247 17.723 19.000 -0.051 0.000 0.819 488 A HN 0.533 nan 8.150 nan 0.000 0.442 489 G N -0.089 108.664 108.800 -0.078 0.000 2.421 489 G HA2 -0.174 3.785 3.960 -0.000 0.000 0.216 489 G HA3 -0.174 3.785 3.960 -0.000 0.000 0.216 489 G C 1.568 176.416 174.900 -0.087 0.000 1.171 489 G CA 1.052 46.105 45.100 -0.079 0.000 0.775 489 G HN 0.420 nan 8.290 nan 0.000 0.543 490 L N 0.730 121.888 121.223 -0.109 0.000 2.042 490 L HA -0.099 4.241 4.340 -0.000 0.000 0.210 490 L C 3.421 180.223 176.870 -0.114 0.000 1.076 490 L CA 1.084 55.851 54.840 -0.122 0.000 0.749 490 L CB -0.453 41.530 42.059 -0.128 0.000 0.893 490 L HN 0.313 nan 8.230 nan 0.000 0.432 491 A N -0.521 122.247 122.820 -0.086 0.000 1.978 491 A HA -0.259 4.061 4.320 -0.000 0.000 0.220 491 A C 2.283 179.827 177.584 -0.068 0.000 1.170 491 A CA 2.037 54.031 52.037 -0.073 0.000 0.636 491 A CB -0.404 18.566 19.000 -0.050 0.000 0.810 491 A HN 0.537 nan 8.150 nan 0.000 0.448 492 E N -0.826 119.336 120.200 -0.063 0.000 2.102 492 E HA -0.107 4.242 4.350 -0.000 0.000 0.190 492 E C 1.998 178.565 176.600 -0.054 0.000 0.971 492 E CA 0.780 57.149 56.400 -0.051 0.000 0.821 492 E CB -0.116 29.558 29.700 -0.042 0.000 0.777 492 E HN 0.727 nan 8.360 nan 0.000 0.460 493 E N 0.297 120.459 120.200 -0.063 0.000 2.112 493 E HA -0.053 4.297 4.350 -0.000 0.000 0.190 493 E C 0.724 177.280 176.600 -0.074 0.000 0.979 493 E CA 0.372 56.736 56.400 -0.060 0.000 0.814 493 E CB 0.206 29.872 29.700 -0.056 0.000 0.762 493 E HN 0.236 nan 8.360 nan 0.000 0.460 494 L N 2.907 124.065 121.223 -0.110 0.000 2.865 494 L HA 0.226 4.565 4.340 -0.000 0.000 0.233 494 L C 0.127 176.926 176.870 -0.119 0.000 1.320 494 L CA -0.685 54.071 54.840 -0.140 0.000 1.225 494 L CB 0.143 42.053 42.059 -0.249 0.000 1.542 494 L HN 0.054 nan 8.230 nan 0.000 0.432 495 S N 0.794 116.445 115.700 -0.082 0.000 2.592 495 S HA 0.659 5.129 4.470 -0.000 0.000 0.271 495 S C -0.337 174.225 174.600 -0.064 0.000 1.326 495 S CA -0.575 57.585 58.200 -0.067 0.000 1.024 495 S CB 1.728 64.899 63.200 -0.048 0.000 0.921 495 S HN 0.338 nan 8.310 nan 0.000 0.527 496 L N 2.351 123.540 121.223 -0.057 0.000 2.406 496 L HA 0.409 4.749 4.340 -0.000 0.000 0.272 496 L C 0.338 177.184 176.870 -0.039 0.000 0.980 496 L CA -0.723 54.086 54.840 -0.052 0.000 0.831 496 L CB 2.303 44.325 42.059 -0.061 0.000 1.253 496 L HN 0.987 nan 8.230 nan 0.000 0.406 497 S N 1.847 117.526 115.700 -0.034 0.000 2.589 497 S HA 0.260 4.730 4.470 -0.000 0.000 0.265 497 S C -1.898 172.687 174.600 -0.025 0.000 1.342 497 S CA -0.915 57.269 58.200 -0.026 0.000 1.005 497 S CB 0.709 63.895 63.200 -0.025 0.000 0.909 497 S HN 0.441 nan 8.310 nan 0.000 0.555 498 P HA -0.093 nan 4.420 nan 0.000 0.219 498 P C 0.659 177.950 177.300 -0.014 0.000 1.146 498 P CA 1.301 64.393 63.100 -0.013 0.000 0.808 498 P CB -0.111 31.584 31.700 -0.008 0.000 0.779 499 D N -1.327 119.063 120.400 -0.017 0.000 2.358 499 D HA 0.115 4.755 4.640 -0.000 0.000 0.224 499 D C 0.285 176.565 176.300 -0.033 0.000 1.123 499 D CA -0.370 53.619 54.000 -0.018 0.000 0.833 499 D CB -0.588 40.204 40.800 -0.013 0.000 0.946 499 D HN -0.028 nan 8.370 nan 0.000 0.505 500 A N 1.692 124.489 122.820 -0.039 0.000 2.546 500 A HA 0.290 4.609 4.320 -0.000 0.000 0.243 500 A C -2.154 175.390 177.584 -0.067 0.000 1.063 500 A CA -0.744 51.261 52.037 -0.052 0.000 0.757 500 A CB -0.324 18.645 19.000 -0.052 0.000 0.991 500 A HN 0.071 nan 8.150 nan 0.000 0.503 501 P HA 0.290 nan 4.420 nan 0.000 0.264 501 P C 1.097 178.328 177.300 -0.115 0.000 1.193 501 P CA 1.703 64.739 63.100 -0.106 0.000 0.763 501 P CB 0.705 32.344 31.700 -0.101 0.000 0.810 502 G N 2.138 110.840 108.800 -0.164 0.000 2.234 502 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.235 502 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.235 502 G C 0.736 175.544 174.900 -0.153 0.000 0.997 502 G CA 0.182 45.184 45.100 -0.163 0.000 0.623 502 G HN 0.971 nan 8.290 nan 0.000 0.514 503 G N 0.319 109.051 108.800 -0.114 0.000 2.582 503 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.288 503 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.288 503 G C 0.833 175.706 174.900 -0.045 0.000 1.247 503 G CA 1.102 46.154 45.100 -0.079 0.000 0.972 503 G HN 1.805 nan 8.290 nan 0.000 0.557 504 M N -1.531 118.060 119.600 -0.014 0.000 2.206 504 M HA -0.215 4.265 4.480 -0.000 0.000 0.197 504 M C 1.373 177.709 176.300 0.059 0.000 0.375 504 M CA 0.651 55.990 55.300 0.065 0.000 0.410 504 M CB -1.482 31.204 32.600 0.144 0.000 1.204 504 M HN 0.498 nan 8.290 nan 0.000 0.932 505 I N 0.494 121.075 120.570 0.018 0.000 2.163 505 I HA -0.252 3.918 4.170 -0.000 0.000 0.243 505 I C 2.282 178.398 176.117 -0.002 0.000 1.085 505 I CA 2.231 63.526 61.300 -0.008 0.000 1.347 505 I CB -0.300 37.692 38.000 -0.014 0.000 1.044 505 I HN 0.422 nan 8.210 nan 0.000 0.408 506 E N -0.665 119.555 120.200 0.034 0.000 2.072 506 E HA -0.226 4.124 4.350 -0.000 0.000 0.191 506 E C 2.160 178.809 176.600 0.080 0.000 0.985 506 E CA 1.111 57.535 56.400 0.040 0.000 0.801 506 E CB -0.329 29.401 29.700 0.050 0.000 0.750 506 E HN 0.396 nan 8.360 nan 0.000 0.452 507 F N 2.308 122.224 119.950 -0.056 0.000 2.102 507 F HA -0.137 4.390 4.527 -0.000 0.000 0.298 507 F C 2.164 177.898 175.800 -0.109 0.000 1.105 507 F CA 1.516 59.474 58.000 -0.071 0.000 1.239 507 F CB -0.173 38.794 39.000 -0.054 0.000 0.991 507 F HN -0.213 nan 8.300 nan 0.000 0.474 508 R N -0.061 120.287 120.500 -0.254 0.000 2.081 508 R HA -0.141 4.199 4.340 -0.000 0.000 0.235 508 R C 2.405 178.511 176.300 -0.324 0.000 1.131 508 R CA 1.732 57.599 56.100 -0.389 0.000 0.960 508 R CB -0.321 29.845 30.300 -0.223 0.000 0.856 508 R HN 0.285 nan 8.270 nan 0.000 0.436 509 R N -0.578 119.801 120.500 -0.202 0.000 2.081 509 R HA -0.064 4.276 4.340 -0.000 0.000 0.235 509 R C 2.233 178.422 176.300 -0.186 0.000 1.131 509 R CA 1.779 57.770 56.100 -0.182 0.000 0.960 509 R CB -0.335 29.898 30.300 -0.111 0.000 0.856 509 R HN 0.176 nan 8.270 nan 0.000 0.436 510 T N 1.389 115.853 114.554 -0.150 0.000 2.833 510 T HA -0.071 4.279 4.350 -0.000 0.000 0.269 510 T C 1.760 176.302 174.700 -0.263 0.000 1.054 510 T CA 0.929 62.958 62.100 -0.119 0.000 1.135 510 T CB -0.057 68.806 68.868 -0.009 0.000 0.869 510 T HN 0.138 nan 8.240 nan 0.000 0.466 511 L N 1.236 122.186 121.223 -0.454 0.000 2.109 511 L HA -0.084 4.256 4.340 -0.000 0.000 0.207 511 L C 3.124 179.597 176.870 -0.662 0.000 1.086 511 L CA 1.540 55.927 54.840 -0.754 0.000 0.760 511 L CB -1.106 40.341 42.059 -1.021 0.000 0.910 511 L HN 0.445 nan 8.230 nan 0.000 0.437 512 T N -1.685 112.634 114.554 -0.392 0.000 2.746 512 T HA -0.174 4.176 4.350 -0.000 0.000 0.267 512 T C 1.823 176.531 174.700 0.014 0.000 1.039 512 T CA 1.056 63.034 62.100 -0.203 0.000 1.142 512 T CB -0.443 68.119 68.868 -0.510 0.000 0.866 512 T HN 0.207 nan 8.240 nan 0.000 0.444 513 L N 0.734 121.910 121.223 -0.078 0.000 2.095 513 L HA 0.019 4.358 4.340 -0.000 0.000 0.204 513 L C 3.188 179.993 176.870 -0.108 0.000 1.080 513 L CA 1.267 56.113 54.840 0.009 0.000 0.759 513 L CB -0.978 41.100 42.059 0.032 0.000 0.914 513 L HN 0.317 nan 8.230 nan 0.000 0.439 514 S N -0.001 115.507 115.700 -0.319 0.000 2.383 514 S HA -0.136 4.334 4.470 -0.000 0.000 0.229 514 S C 1.900 176.444 174.600 -0.093 0.000 1.030 514 S CA 1.394 59.330 58.200 -0.440 0.000 1.002 514 S CB -0.362 62.597 63.200 -0.402 0.000 0.829 514 S HN 0.286 nan 8.310 nan 0.000 0.467 515 F N 0.012 119.921 119.950 -0.069 0.000 2.134 515 F HA -0.122 4.405 4.527 -0.000 0.000 0.299 515 F C 2.185 178.104 175.800 0.199 0.000 1.097 515 F CA 0.770 58.776 58.000 0.010 0.000 1.264 515 F CB -0.263 38.869 39.000 0.220 0.000 1.001 515 F HN 0.210 nan 8.300 nan 0.000 0.479 516 F N 0.375 120.550 119.950 0.374 0.000 2.134 516 F HA -0.259 4.268 4.527 -0.000 0.000 0.299 516 F C 2.131 178.169 175.800 0.395 0.000 1.097 516 F CA 1.063 59.308 58.000 0.407 0.000 1.264 516 F CB -0.823 38.371 39.000 0.322 0.000 1.001 516 F HN -0.063 nan 8.300 nan 0.000 0.479 517 F N 1.612 121.517 119.950 -0.076 0.000 2.095 517 F HA -0.207 4.320 4.527 -0.000 0.000 0.298 517 F C 2.245 177.946 175.800 -0.164 0.000 1.104 517 F CA 2.094 59.958 58.000 -0.226 0.000 1.232 517 F CB -0.868 37.755 39.000 -0.628 0.000 0.987 517 F HN -0.098 nan 8.300 nan 0.000 0.475 518 K N -0.922 119.334 120.400 -0.240 0.000 2.063 518 K HA -0.222 4.098 4.320 -0.000 0.000 0.208 518 K C 2.075 178.673 176.600 -0.003 0.000 1.048 518 K CA 1.851 57.959 56.287 -0.298 0.000 0.928 518 K CB -0.708 31.514 32.500 -0.465 0.000 0.713 518 K HN 0.314 nan 8.250 nan 0.000 0.442 519 F N 0.571 120.543 119.950 0.037 0.000 2.134 519 F HA -0.236 4.291 4.527 -0.000 0.000 0.299 519 F C 2.158 177.969 175.800 0.018 0.000 1.097 519 F CA 1.149 59.197 58.000 0.080 0.000 1.264 519 F CB -0.637 38.403 39.000 0.067 0.000 1.001 519 F HN 0.062 nan 8.300 nan 0.000 0.479 520 Y N 0.722 120.804 120.300 -0.364 0.000 2.128 520 Y HA -0.234 4.316 4.550 -0.000 0.000 0.284 520 Y C 2.105 177.964 175.900 -0.069 0.000 1.154 520 Y CA 2.185 60.121 58.100 -0.273 0.000 1.149 520 Y CB -0.705 37.462 38.460 -0.488 0.000 0.976 520 Y HN 0.122 nan 8.280 nan 0.000 0.505 521 L N -1.077 119.948 121.223 -0.330 0.000 2.093 521 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 521 L C 2.301 179.013 176.870 -0.263 0.000 1.085 521 L CA 1.716 56.344 54.840 -0.352 0.000 0.755 521 L CB -0.932 40.898 42.059 -0.381 0.000 0.904 521 L HN 0.194 nan 8.230 nan 0.000 0.435 522 T N -0.500 113.931 114.554 -0.204 0.000 2.746 522 T HA -0.145 4.205 4.350 -0.000 0.000 0.267 522 T C 2.010 176.535 174.700 -0.292 0.000 1.039 522 T CA 1.218 63.223 62.100 -0.159 0.000 1.142 522 T CB -0.194 68.666 68.868 -0.014 0.000 0.866 522 T HN 0.059 nan 8.240 nan 0.000 0.444 523 V N 1.366 121.032 119.914 -0.412 0.000 2.358 523 V HA -0.087 4.033 4.120 -0.000 0.000 0.246 523 V C 2.472 178.220 176.094 -0.577 0.000 1.047 523 V CA 1.301 63.219 62.300 -0.637 0.000 1.035 523 V CB -0.648 30.647 31.823 -0.881 0.000 0.658 523 V HN 0.430 nan 8.190 nan 0.000 0.452 524 L N -0.128 120.875 121.223 -0.365 0.000 2.042 524 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 524 L C 2.619 179.321 176.870 -0.279 0.000 1.076 524 L CA 2.017 56.687 54.840 -0.283 0.000 0.749 524 L CB -0.550 41.353 42.059 -0.259 0.000 0.893 524 L HN 0.329 nan 8.230 nan 0.000 0.432 525 K N 0.575 120.820 120.400 -0.259 0.000 2.026 525 K HA -0.209 4.111 4.320 -0.000 0.000 0.208 525 K C 2.091 178.537 176.600 -0.256 0.000 1.048 525 K CA 1.484 57.650 56.287 -0.201 0.000 0.929 525 K CB 0.061 32.472 32.500 -0.148 0.000 0.713 525 K HN 0.195 nan 8.250 nan 0.000 0.439 526 K N 0.445 120.607 120.400 -0.398 0.000 2.211 526 K HA -0.056 4.264 4.320 -0.000 0.000 0.203 526 K C 1.997 178.254 176.600 -0.572 0.000 1.050 526 K CA 0.838 56.814 56.287 -0.519 0.000 0.945 526 K CB 0.017 32.007 32.500 -0.849 0.000 0.732 526 K HN 0.183 nan 8.250 nan 0.000 0.451 527 L N 0.523 121.390 121.223 -0.594 0.000 2.376 527 L HA -0.023 4.317 4.340 -0.000 0.000 0.219 527 L C 1.432 178.167 176.870 -0.223 0.000 1.133 527 L CA -0.007 54.583 54.840 -0.416 0.000 0.816 527 L CB -0.381 41.405 42.059 -0.454 0.000 0.933 527 L HN 0.167 nan 8.230 nan 0.000 0.449 538 L N 3.258 124.458 121.223 -0.039 0.000 2.290 538 L HA 0.281 4.621 4.340 -0.000 0.000 0.284 538 L C -0.421 176.438 176.870 -0.017 0.000 1.078 538 L CA 0.199 55.022 54.840 -0.029 0.000 0.815 538 L CB 0.942 42.992 42.059 -0.015 0.000 1.162 538 L HN 0.549 nan 8.230 nan 0.000 0.435 539 D N 6.379 126.746 120.400 -0.056 0.000 2.493 539 D HA -0.012 4.628 4.640 -0.000 0.000 0.240 539 D C -1.756 174.584 176.300 0.065 0.000 1.142 539 D CA -1.050 52.922 54.000 -0.047 0.000 0.872 539 D CB 1.665 42.341 40.800 -0.207 0.000 1.173 539 D HN 0.397 nan 8.370 nan 0.000 0.467 540 P HA -0.119 nan 4.420 nan 0.000 0.221 540 P C 1.092 178.444 177.300 0.088 0.000 1.145 540 P CA 1.451 64.584 63.100 0.054 0.000 0.795 540 P CB 0.098 31.810 31.700 0.020 0.000 0.775 541 T N -6.228 108.410 114.554 0.140 0.000 3.100 541 T HA -0.020 4.330 4.350 -0.000 0.000 0.253 541 T C 1.239 176.146 174.700 0.345 0.000 1.118 541 T CA 0.625 62.822 62.100 0.162 0.000 1.058 541 T CB -0.687 68.264 68.868 0.139 0.000 0.953 541 T HN 0.007 nan 8.240 nan 0.000 0.515 542 Y N 1.382 121.776 120.300 0.156 0.000 2.507 542 Y HA 0.285 4.835 4.550 -0.000 0.000 0.263 542 Y C 2.688 178.690 175.900 0.170 0.000 1.093 542 Y CA -0.492 57.789 58.100 0.301 0.000 1.285 542 Y CB -0.392 38.242 38.460 0.289 0.000 1.115 542 Y HN 0.185 nan 8.280 nan 0.000 0.533 543 T N -0.088 114.606 114.554 0.233 0.000 2.653 543 T HA -0.260 4.090 4.350 -0.000 0.000 0.268 543 T C 2.114 176.869 174.700 0.092 0.000 1.035 543 T CA 2.186 64.357 62.100 0.118 0.000 1.154 543 T CB -0.612 68.302 68.868 0.076 0.000 0.862 543 T HN 0.508 nan 8.240 nan 0.000 0.441 544 S N 1.814 117.575 115.700 0.102 0.000 2.465 544 S HA 0.014 4.484 4.470 -0.000 0.000 0.241 544 S C 2.217 176.876 174.600 0.099 0.000 1.000 544 S CA 0.831 59.091 58.200 0.101 0.000 0.964 544 S CB -0.525 62.738 63.200 0.106 0.000 0.763 544 S HN 0.555 nan 8.310 nan 0.000 0.512 545 A N 1.818 124.690 122.820 0.087 0.000 2.119 545 A HA 0.049 4.369 4.320 -0.000 0.000 0.217 545 A C 2.365 179.901 177.584 -0.079 0.000 1.153 545 A CA 1.494 53.523 52.037 -0.014 0.000 0.692 545 A CB -1.074 17.824 19.000 -0.170 0.000 0.799 545 A HN 0.762 nan 8.150 nan 0.000 0.458 546 T N -2.393 112.143 114.554 -0.029 0.000 3.081 546 T HA 0.382 4.732 4.350 -0.000 0.000 0.250 546 T C 0.463 175.197 174.700 0.055 0.000 1.100 546 T CA -0.240 61.855 62.100 -0.009 0.000 1.038 546 T CB -0.472 68.384 68.868 -0.020 0.000 0.962 546 T HN 0.209 nan 8.240 nan 0.000 0.516 547 L N 2.128 123.389 121.223 0.064 0.000 2.349 547 L HA 0.449 4.789 4.340 -0.000 0.000 0.275 547 L C 0.323 177.270 176.870 0.129 0.000 1.115 547 L CA -0.864 54.030 54.840 0.091 0.000 0.820 547 L CB 0.838 42.946 42.059 0.081 0.000 1.135 547 L HN 0.134 nan 8.230 nan 0.000 0.445 548 L N 2.009 123.330 121.223 0.163 0.000 2.439 548 L HA 0.275 4.615 4.340 -0.000 0.000 0.261 548 L C 0.125 177.141 176.870 0.243 0.000 1.153 548 L CA -0.513 54.472 54.840 0.242 0.000 0.808 548 L CB 0.550 42.762 42.059 0.255 0.000 1.126 548 L HN 0.381 nan 8.230 nan 0.000 0.460 549 F N 2.016 122.088 119.950 0.204 0.000 2.629 549 F HA -0.012 4.515 4.527 -0.000 0.000 0.377 549 F C 0.368 176.265 175.800 0.161 0.000 1.101 549 F CA 0.456 58.569 58.000 0.188 0.000 1.301 549 F CB 0.235 39.407 39.000 0.287 0.000 1.062 549 F HN 0.426 nan 8.300 nan 0.000 0.583 550 Q N 5.511 124.903 119.800 -0.681 0.000 2.274 550 Q HA 0.276 4.616 4.340 -0.000 0.000 0.268 550 Q C -1.275 174.240 176.000 -0.808 0.000 1.015 550 Q CA -1.203 54.332 55.803 -0.446 0.000 0.775 550 Q CB 1.452 30.062 28.738 -0.212 0.000 1.256 550 Q HN 0.625 nan 8.270 nan 0.000 0.442 551 K N 2.143 122.307 120.400 -0.394 0.000 2.237 551 K HA 0.217 4.537 4.320 -0.000 0.000 0.270 551 K C -0.917 175.492 176.600 -0.318 0.000 1.015 551 K CA 0.008 56.108 56.287 -0.312 0.000 0.949 551 K CB 0.576 33.120 32.500 0.075 0.000 0.976 551 K HN 0.552 nan 8.250 nan 0.000 0.472 552 H N 2.228 121.301 119.070 0.005 0.000 2.525 552 H HA 0.344 4.900 4.556 -0.000 0.000 0.340 552 H C -2.054 173.307 175.328 0.055 0.000 1.168 552 H CA -2.401 53.655 56.048 0.014 0.000 1.247 552 H CB 0.608 30.370 29.762 -0.001 0.000 1.568 552 H HN 0.513 nan 8.280 nan 0.000 0.536 553 P HA 0.069 nan 4.420 nan 0.000 0.271 553 P C -2.251 175.137 177.300 0.146 0.000 1.220 553 P CA -0.890 62.294 63.100 0.139 0.000 0.768 553 P CB 0.080 31.845 31.700 0.109 0.000 0.848 554 P HA 0.368 nan 4.420 nan 0.000 0.276 554 P C -1.365 176.018 177.300 0.139 0.000 1.244 554 P CA -0.399 62.797 63.100 0.159 0.000 0.801 554 P CB 1.058 32.869 31.700 0.185 0.000 1.006 555 A N 2.101 125.005 122.820 0.139 0.000 2.456 555 A HA 0.540 4.860 4.320 -0.000 0.000 0.288 555 A C -1.061 176.604 177.584 0.134 0.000 1.042 555 A CA -0.652 51.454 52.037 0.116 0.000 0.738 555 A CB 0.815 19.866 19.000 0.085 0.000 1.266 555 A HN 0.537 nan 8.150 nan 0.000 0.407 556 N N 1.991 120.764 118.700 0.121 0.000 2.258 556 N HA 0.672 5.411 4.740 -0.000 0.000 0.299 556 N C -1.350 174.196 175.510 0.060 0.000 1.047 556 N CA -0.413 52.704 53.050 0.112 0.000 0.814 556 N CB 2.140 40.705 38.487 0.131 0.000 1.413 556 N HN 0.459 nan 8.380 nan 0.000 0.478 557 I N 1.785 122.373 120.570 0.030 0.000 2.571 557 I HA 0.252 4.422 4.170 -0.000 0.000 0.289 557 I C -0.817 175.294 176.117 -0.008 0.000 1.115 557 I CA -0.553 60.753 61.300 0.010 0.000 1.045 557 I CB 1.954 39.960 38.000 0.009 0.000 1.238 557 I HN 0.335 nan 8.210 nan 0.000 0.424 558 Q N 5.858 125.668 119.800 0.016 0.000 2.330 558 Q HA 0.740 5.080 4.340 -0.000 0.000 0.269 558 Q C -1.162 174.911 176.000 0.121 0.000 1.022 558 Q CA -0.270 55.564 55.803 0.051 0.000 0.796 558 Q CB 3.093 31.872 28.738 0.069 0.000 1.271 558 Q HN 0.481 nan 8.270 nan 0.000 0.450 559 L N 4.378 125.671 121.223 0.117 0.000 2.356 559 L HA 0.731 5.071 4.340 -0.000 0.000 0.277 559 L C -0.844 176.138 176.870 0.186 0.000 0.996 559 L CA -0.803 54.080 54.840 0.071 0.000 0.822 559 L CB 0.585 42.641 42.059 -0.005 0.000 1.256 559 L HN 0.677 nan 8.230 nan 0.000 0.413 560 F N 0.253 120.179 119.950 -0.039 0.000 2.824 560 F HA 0.647 5.174 4.527 -0.000 0.000 0.330 560 F C -0.694 175.089 175.800 -0.028 0.000 1.175 560 F CA -1.146 56.834 58.000 -0.034 0.000 0.974 560 F CB 1.619 40.596 39.000 -0.038 0.000 1.430 560 F HN 0.345 nan 8.300 nan 0.000 0.507 561 Q N 1.210 121.077 119.800 0.110 0.000 2.282 561 Q HA 0.338 4.678 4.340 -0.000 0.000 0.260 561 Q C -0.817 175.192 176.000 0.015 0.000 0.964 561 Q CA -0.801 54.993 55.803 -0.014 0.000 0.880 561 Q CB 1.841 30.596 28.738 0.027 0.000 1.286 561 Q HN 0.640 nan 8.270 nan 0.000 0.445 562 E N 1.833 121.987 120.200 -0.076 0.000 2.408 562 E HA 0.159 4.509 4.350 -0.000 0.000 0.259 562 E C -0.801 175.806 176.600 0.012 0.000 1.110 562 E CA -0.302 56.078 56.400 -0.032 0.000 0.929 562 E CB 0.854 30.513 29.700 -0.069 0.000 0.971 562 E HN 0.427 nan 8.360 nan 0.000 0.438 563 V N 1.042 120.971 119.914 0.025 0.000 3.083 563 V HA 0.497 4.617 4.120 -0.000 0.000 0.306 563 V C -2.089 174.002 176.094 -0.005 0.000 1.077 563 V CA -1.908 60.399 62.300 0.011 0.000 1.073 563 V CB 0.393 32.221 31.823 0.008 0.000 1.081 563 V HN 0.697 nan 8.190 nan 0.000 0.474 564 P HA 0.059 nan 4.420 nan 0.000 0.260 564 P C 0.778 178.071 177.300 -0.011 0.000 1.185 564 P CA 0.678 63.770 63.100 -0.013 0.000 0.763 564 P CB -0.048 31.642 31.700 -0.016 0.000 0.776 565 N N 2.946 121.639 118.700 -0.011 0.000 2.247 565 N HA -0.154 4.586 4.740 -0.000 0.000 0.189 565 N C 1.201 176.707 175.510 -0.007 0.000 1.009 565 N CA 0.879 53.923 53.050 -0.010 0.000 0.872 565 N CB -0.163 38.318 38.487 -0.011 0.000 0.980 565 N HN 0.510 nan 8.380 nan 0.000 0.436 566 G N 0.440 109.236 108.800 -0.007 0.000 3.639 566 G HA2 0.040 3.999 3.960 -0.000 0.000 0.279 566 G HA3 0.040 3.999 3.960 -0.000 0.000 0.279 566 G C -0.381 174.515 174.900 -0.006 0.000 1.312 566 G CA -0.301 44.797 45.100 -0.004 0.000 1.355 566 G HN 0.345 nan 8.290 nan 0.000 0.595 567 Q N 0.471 120.265 119.800 -0.009 0.000 2.312 567 Q HA 0.492 4.832 4.340 -0.000 0.000 0.263 567 Q C 0.024 176.018 176.000 -0.011 0.000 0.995 567 Q CA -0.598 55.196 55.803 -0.016 0.000 0.853 567 Q CB 1.444 30.167 28.738 -0.025 0.000 1.300 567 Q HN 0.160 nan 8.270 nan 0.000 0.448 568 S N 2.263 117.956 115.700 -0.012 0.000 2.558 568 S HA -0.028 4.442 4.470 -0.000 0.000 0.288 568 S C 0.972 175.567 174.600 -0.008 0.000 1.318 568 S CA 0.116 58.312 58.200 -0.006 0.000 1.056 568 S CB 0.715 63.912 63.200 -0.005 0.000 0.853 568 S HN 0.803 nan 8.310 nan 0.000 0.505 569 K N 2.822 123.220 120.400 -0.002 0.000 2.209 569 K HA -0.084 4.236 4.320 -0.000 0.000 0.204 569 K C 1.392 177.990 176.600 -0.003 0.000 1.048 569 K CA 1.518 57.805 56.287 0.001 0.000 0.940 569 K CB -0.069 32.434 32.500 0.005 0.000 0.729 569 K HN 0.756 nan 8.250 nan 0.000 0.451 570 E N 0.412 120.607 120.200 -0.009 0.000 2.358 570 E HA -0.099 4.251 4.350 -0.000 0.000 0.195 570 E C -0.071 176.514 176.600 -0.026 0.000 1.010 570 E CA 0.138 56.528 56.400 -0.017 0.000 0.856 570 E CB 0.125 29.811 29.700 -0.023 0.000 0.795 570 E HN 0.207 nan 8.360 nan 0.000 0.504 571 D N 1.230 121.613 120.400 -0.029 0.000 2.393 571 D HA -0.012 4.628 4.640 -0.000 0.000 0.232 571 D C 0.724 176.998 176.300 -0.042 0.000 1.192 571 D CA 0.029 54.001 54.000 -0.048 0.000 0.882 571 D CB 0.959 41.722 40.800 -0.062 0.000 1.038 571 D HN -0.022 nan 8.370 nan 0.000 0.499 572 T N 0.094 114.626 114.554 -0.036 0.000 3.107 572 T HA 0.098 4.447 4.350 -0.000 0.000 0.249 572 T C 0.866 175.546 174.700 -0.033 0.000 1.096 572 T CA -0.337 61.750 62.100 -0.021 0.000 1.012 572 T CB -0.103 68.762 68.868 -0.006 0.000 0.977 572 T HN 0.071 nan 8.240 nan 0.000 0.527 573 V N 2.250 122.123 119.914 -0.069 0.000 2.485 573 V HA 0.477 4.597 4.120 -0.000 0.000 0.287 573 V C 1.649 177.703 176.094 -0.067 0.000 1.022 573 V CA 1.094 63.343 62.300 -0.085 0.000 1.067 573 V CB -0.219 31.481 31.823 -0.206 0.000 0.967 573 V HN 0.839 nan 8.190 nan 0.000 0.479 574 G N 4.767 113.547 108.800 -0.034 0.000 2.176 574 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.232 574 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.232 574 G C 0.261 175.170 174.900 0.016 0.000 0.986 574 G CA -0.131 44.964 45.100 -0.008 0.000 0.643 574 G HN 0.599 nan 8.290 nan 0.000 0.522 575 R N 0.883 121.384 120.500 0.003 0.000 2.536 575 R HA 0.469 4.809 4.340 -0.000 0.000 0.279 575 R C -2.263 174.024 176.300 -0.021 0.000 1.001 575 R CA -1.703 54.412 56.100 0.025 0.000 1.027 575 R CB 1.433 31.751 30.300 0.030 0.000 1.096 575 R HN 0.030 nan 8.270 nan 0.000 0.502 576 P HA 0.011 nan 4.420 nan 0.000 0.226 576 P C -0.685 176.640 177.300 0.042 0.000 1.783 576 P CA -0.123 62.913 63.100 -0.106 0.000 0.980 576 P CB -0.066 31.555 31.700 -0.131 0.000 1.967 577 L N 3.941 125.184 121.223 0.034 0.000 2.361 577 L HA 0.332 4.672 4.340 -0.000 0.000 0.278 577 L C -2.163 174.802 176.870 0.158 0.000 1.113 577 L CA -2.074 52.823 54.840 0.096 0.000 0.849 577 L CB -0.005 42.082 42.059 0.046 0.000 1.155 577 L HN 0.037 nan 8.230 nan 0.000 0.452 578 P HA -0.019 nan 4.420 nan 0.000 0.272 578 P C -0.634 176.798 177.300 0.220 0.000 1.223 578 P CA -0.182 63.119 63.100 0.335 0.000 0.784 578 P CB 0.310 32.126 31.700 0.192 0.000 0.923 579 H N 2.685 121.834 119.070 0.132 0.000 3.195 579 H HA -0.054 4.502 4.556 -0.000 0.000 0.302 579 H C 1.177 176.545 175.328 0.067 0.000 0.950 579 H CA 0.620 56.714 56.048 0.077 0.000 1.398 579 H CB 0.290 30.093 29.762 0.068 0.000 1.377 579 H HN 0.344 nan 8.280 nan 0.000 0.572 580 L N 4.171 125.445 121.223 0.085 0.000 2.261 580 L HA -0.190 4.150 4.340 -0.000 0.000 0.216 580 L C 2.186 179.188 176.870 0.221 0.000 1.114 580 L CA 1.434 56.348 54.840 0.123 0.000 0.777 580 L CB -0.297 41.776 42.059 0.024 0.000 0.910 580 L HN 0.625 nan 8.230 nan 0.000 0.440 581 A N -0.991 122.098 122.820 0.448 0.000 2.390 581 A HA 0.426 4.746 4.320 -0.000 0.000 0.232 581 A C 2.292 179.949 177.584 0.121 0.000 1.233 581 A CA 0.607 52.796 52.037 0.253 0.000 0.907 581 A CB -0.100 19.044 19.000 0.240 0.000 0.967 581 A HN 0.258 nan 8.150 nan 0.000 0.512 582 A N 0.522 123.418 122.820 0.127 0.000 1.917 582 A HA 0.045 4.365 4.320 -0.000 0.000 0.219 582 A C 2.426 180.029 177.584 0.032 0.000 1.182 582 A CA 2.133 54.181 52.037 0.018 0.000 0.633 582 A CB -0.881 18.148 19.000 0.049 0.000 0.819 582 A HN 1.084 nan 8.150 nan 0.000 0.448 583 A N -0.767 122.086 122.820 0.054 0.000 1.902 583 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 583 A C 2.247 179.858 177.584 0.046 0.000 1.181 583 A CA 1.832 53.896 52.037 0.045 0.000 0.623 583 A CB -0.511 18.520 19.000 0.050 0.000 0.818 583 A HN 0.541 nan 8.150 nan 0.000 0.443 584 M N -1.094 118.538 119.600 0.053 0.000 2.319 584 M HA -0.150 4.330 4.480 -0.000 0.000 0.265 584 M C 2.267 178.599 176.300 0.053 0.000 1.068 584 M CA 1.178 56.507 55.300 0.048 0.000 1.118 584 M CB -0.237 32.393 32.600 0.049 0.000 1.395 584 M HN 0.496 nan 8.290 nan 0.000 0.435 585 Q N -0.048 119.786 119.800 0.055 0.000 2.137 585 Q HA -0.013 4.327 4.340 -0.000 0.000 0.198 585 Q C 2.184 178.226 176.000 0.069 0.000 0.960 585 Q CA 1.370 57.225 55.803 0.087 0.000 0.847 585 Q CB -0.119 28.660 28.738 0.069 0.000 0.915 585 Q HN 0.558 nan 8.270 nan 0.000 0.448 586 A N 0.762 123.612 122.820 0.050 0.000 2.066 586 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 586 A C 2.072 179.682 177.584 0.044 0.000 1.157 586 A CA 1.442 53.511 52.037 0.054 0.000 0.670 586 A CB -0.199 18.833 19.000 0.054 0.000 0.804 586 A HN 0.379 nan 8.150 nan 0.000 0.453 587 S N -2.542 113.181 115.700 0.037 0.000 2.535 587 S HA 0.396 4.866 4.470 -0.000 0.000 0.214 587 S C 1.386 175.996 174.600 0.015 0.000 0.980 587 S CA 1.019 59.232 58.200 0.021 0.000 0.907 587 S CB -0.055 63.159 63.200 0.023 0.000 0.790 587 S HN 1.815 nan 8.310 nan 0.000 0.510 588 G N 1.302 110.122 108.800 0.034 0.000 2.148 588 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.254 588 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.254 588 G C 0.444 175.371 174.900 0.045 0.000 0.981 588 G CA 0.475 45.597 45.100 0.037 0.000 0.670 588 G HN 0.581 nan 8.290 nan 0.000 0.528 589 E N -0.044 120.181 120.200 0.040 0.000 2.318 589 E HA 0.398 4.748 4.350 -0.000 0.000 0.193 589 E C 1.751 178.366 176.600 0.024 0.000 0.998 589 E CA 0.336 56.752 56.400 0.027 0.000 0.859 589 E CB 0.207 29.919 29.700 0.020 0.000 0.812 589 E HN 0.772 nan 8.360 nan 0.000 0.492 590 A N 1.694 124.534 122.820 0.033 0.000 2.524 590 A HA 0.165 4.485 4.320 -0.000 0.000 0.250 590 A C 0.162 177.690 177.584 -0.093 0.000 1.078 590 A CA -0.086 51.923 52.037 -0.047 0.000 0.761 590 A CB 0.272 19.237 19.000 -0.058 0.000 1.012 590 A HN -0.006 nan 8.150 nan 0.000 0.500 591 V N 4.304 124.121 119.914 -0.162 0.000 2.432 591 V HA 0.292 4.411 4.120 -0.000 0.000 0.275 591 V C -0.447 175.493 176.094 -0.256 0.000 1.043 591 V CA -0.016 62.218 62.300 -0.109 0.000 0.925 591 V CB -0.011 31.774 31.823 -0.064 0.000 0.985 591 V HN 0.750 nan 8.190 nan 0.000 0.466 592 Y N 1.697 122.054 120.300 0.095 0.000 2.534 592 Y HA 0.330 4.880 4.550 -0.000 0.000 0.329 592 Y C 1.526 177.465 175.900 0.064 0.000 1.154 592 Y CA -0.332 57.834 58.100 0.109 0.000 1.192 592 Y CB 0.861 39.469 38.460 0.246 0.000 1.275 592 Y HN 0.650 nan 8.280 nan 0.000 0.491 593 C N 0.809 120.220 119.300 0.185 0.000 2.336 593 C HA -0.302 4.158 4.460 -0.000 0.000 0.272 593 C C 2.519 177.559 174.990 0.083 0.000 1.160 593 C CA 2.581 61.662 59.018 0.105 0.000 1.783 593 C CB -0.804 26.990 27.740 0.091 0.000 2.050 593 C HN 1.097 nan 8.230 nan 0.000 0.443 594 D N -0.388 120.089 120.400 0.129 0.000 2.310 594 D HA -0.074 4.566 4.640 -0.000 0.000 0.212 594 D C 1.520 177.875 176.300 0.092 0.000 0.965 594 D CA 0.965 55.032 54.000 0.112 0.000 0.879 594 D CB -0.333 40.555 40.800 0.147 0.000 0.921 594 D HN 0.560 nan 8.370 nan 0.000 0.510 595 D N -0.267 120.203 120.400 0.118 0.000 2.312 595 D HA -0.017 4.623 4.640 -0.000 0.000 0.211 595 D C 0.614 176.906 176.300 -0.013 0.000 0.964 595 D CA 0.169 54.215 54.000 0.077 0.000 0.877 595 D CB 0.128 41.006 40.800 0.131 0.000 0.924 595 D HN 0.371 nan 8.370 nan 0.000 0.515 596 I N 2.538 123.069 120.570 -0.065 0.000 2.618 596 I HA 0.017 4.186 4.170 -0.000 0.000 0.284 596 I C -1.956 174.052 176.117 -0.181 0.000 1.146 596 I CA -1.527 59.663 61.300 -0.183 0.000 1.425 596 I CB 0.325 38.125 38.000 -0.334 0.000 1.383 596 I HN -0.314 nan 8.210 nan 0.000 0.562 597 P HA 0.023 nan 4.420 nan 0.000 0.267 597 P C -0.955 176.191 177.300 -0.256 0.000 1.200 597 P CA -0.205 62.778 63.100 -0.194 0.000 0.772 597 P CB 0.378 31.953 31.700 -0.207 0.000 0.855 598 R N 2.112 122.513 120.500 -0.165 0.000 2.459 598 R HA 0.370 4.710 4.340 -0.000 0.000 0.281 598 R C -0.577 175.631 176.300 -0.153 0.000 1.050 598 R CA -0.593 55.417 56.100 -0.150 0.000 1.055 598 R CB 0.215 30.481 30.300 -0.056 0.000 1.045 598 R HN 0.336 nan 8.270 nan 0.000 0.495 599 Y N 1.244 121.506 120.300 -0.062 0.000 2.379 599 Y HA -0.081 4.469 4.550 -0.000 0.000 0.337 599 Y C 1.624 177.511 175.900 -0.021 0.000 1.238 599 Y CA 0.319 58.395 58.100 -0.040 0.000 1.405 599 Y CB 1.025 39.463 38.460 -0.036 0.000 1.310 599 Y HN 0.808 nan 8.280 nan 0.000 0.569 600 E N 0.034 120.341 120.200 0.177 0.000 2.209 600 E HA -0.261 4.089 4.350 -0.000 0.000 0.196 600 E C 0.711 177.378 176.600 0.112 0.000 0.993 600 E CA 1.775 58.239 56.400 0.108 0.000 0.819 600 E CB -0.286 29.462 29.700 0.081 0.000 0.745 600 E HN 0.656 nan 8.360 nan 0.000 0.477 601 N N 0.857 119.630 118.700 0.122 0.000 2.235 601 N HA -0.017 4.723 4.740 -0.000 0.000 0.209 601 N C -0.484 175.146 175.510 0.200 0.000 1.122 601 N CA -0.103 53.038 53.050 0.151 0.000 0.845 601 N CB 0.180 38.688 38.487 0.036 0.000 1.004 601 N HN 0.289 nan 8.380 nan 0.000 0.499 602 E N 1.046 121.315 120.200 0.116 0.000 2.344 602 E HA 0.215 4.565 4.350 -0.000 0.000 0.270 602 E C -0.461 176.057 176.600 -0.137 0.000 1.021 602 E CA -0.311 56.094 56.400 0.008 0.000 0.887 602 E CB 0.648 30.325 29.700 -0.037 0.000 0.997 602 E HN 0.244 nan 8.360 nan 0.000 0.429 603 L N 3.518 124.639 121.223 -0.170 0.000 2.376 603 L HA 0.524 4.864 4.340 -0.000 0.000 0.267 603 L C -0.533 176.103 176.870 -0.390 0.000 1.035 603 L CA -1.036 53.700 54.840 -0.174 0.000 0.800 603 L CB 0.729 42.731 42.059 -0.095 0.000 1.290 603 L HN 0.507 nan 8.230 nan 0.000 0.462 604 F N 0.782 120.747 119.950 0.024 0.000 2.508 604 F HA 0.598 5.125 4.527 -0.000 0.000 0.325 604 F C -0.201 175.621 175.800 0.038 0.000 1.090 604 F CA -0.535 57.488 58.000 0.038 0.000 0.945 604 F CB 1.811 40.834 39.000 0.038 0.000 1.156 604 F HN 0.162 nan 8.300 nan 0.000 0.463 605 L N 3.113 124.467 121.223 0.218 0.000 2.346 605 L HA 0.782 5.122 4.340 -0.000 0.000 0.274 605 L C -1.013 175.960 176.870 0.172 0.000 1.007 605 L CA -0.813 54.122 54.840 0.159 0.000 0.818 605 L CB 1.520 43.651 42.059 0.120 0.000 1.284 605 L HN 0.697 nan 8.230 nan 0.000 0.424 606 R N 4.372 124.965 120.500 0.155 0.000 2.502 606 R HA 0.547 4.886 4.340 -0.000 0.000 0.300 606 R C -1.640 174.748 176.300 0.146 0.000 0.984 606 R CA -0.427 55.764 56.100 0.151 0.000 0.882 606 R CB 1.184 31.575 30.300 0.152 0.000 1.180 606 R HN 0.686 nan 8.270 nan 0.000 0.444 607 L N 3.794 125.103 121.223 0.144 0.000 2.456 607 L HA 0.302 4.642 4.340 -0.000 0.000 0.272 607 L C -0.268 176.687 176.870 0.142 0.000 1.189 607 L CA -0.552 54.372 54.840 0.140 0.000 0.846 607 L CB 1.059 43.209 42.059 0.151 0.000 1.111 607 L HN 0.335 nan 8.230 nan 0.000 0.475 608 V N 1.833 121.825 119.914 0.129 0.000 2.328 608 V HA 0.370 4.490 4.120 -0.000 0.000 0.278 608 V C 0.316 176.490 176.094 0.133 0.000 1.021 608 V CA -0.470 61.923 62.300 0.154 0.000 0.838 608 V CB 1.384 33.354 31.823 0.245 0.000 0.999 608 V HN 0.924 nan 8.190 nan 0.000 0.447 609 T N 1.159 115.801 114.554 0.147 0.000 2.932 609 T HA 0.568 4.918 4.350 -0.000 0.000 0.289 609 T C 0.063 174.873 174.700 0.182 0.000 1.039 609 T CA -0.638 61.558 62.100 0.159 0.000 1.024 609 T CB 1.812 70.778 68.868 0.163 0.000 1.090 609 T HN 0.535 nan 8.240 nan 0.000 0.496 610 S N 0.440 116.262 115.700 0.205 0.000 2.562 610 S HA 0.287 4.757 4.470 -0.000 0.000 0.281 610 S C 1.272 175.951 174.600 0.132 0.000 1.333 610 S CA 0.085 58.427 58.200 0.237 0.000 1.052 610 S CB 0.021 63.367 63.200 0.243 0.000 0.884 610 S HN 1.018 nan 8.310 nan 0.000 0.506 611 T N 2.354 116.930 114.554 0.036 0.000 3.092 611 T HA 0.390 4.739 4.350 -0.000 0.000 0.258 611 T C 0.286 174.877 174.700 -0.182 0.000 1.031 611 T CA -0.497 61.580 62.100 -0.038 0.000 0.925 611 T CB 0.027 68.898 68.868 0.005 0.000 1.036 611 T HN 0.401 nan 8.240 nan 0.000 0.544 612 R N 0.349 120.672 120.500 -0.296 0.000 2.670 612 R HA 0.771 5.110 4.340 -0.000 0.000 0.289 612 R C 0.950 177.209 176.300 -0.069 0.000 0.965 612 R CA -0.294 55.642 56.100 -0.274 0.000 0.899 612 R CB 1.403 31.375 30.300 -0.545 0.000 1.173 612 R HN 0.149 nan 8.270 nan 0.000 0.456 613 A N 1.101 123.913 122.820 -0.014 0.000 1.968 613 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 613 A C 0.396 178.055 177.584 0.125 0.000 1.169 613 A CA 1.300 53.364 52.037 0.044 0.000 0.638 613 A CB -0.074 18.944 19.000 0.031 0.000 0.812 613 A HN 0.731 nan 8.150 nan 0.000 0.446 614 H N -2.306 116.762 119.070 -0.004 0.000 3.154 614 H HA 0.509 5.065 4.556 -0.000 0.000 0.330 614 H C -1.129 174.219 175.328 0.032 0.000 1.033 614 H CA -0.234 55.832 56.048 0.030 0.000 1.393 614 H CB 0.981 30.753 29.762 0.016 0.000 1.951 614 H HN 0.498 nan 8.280 nan 0.000 0.466 615 A N 4.106 126.998 122.820 0.120 0.000 2.544 615 A HA 0.377 4.697 4.320 -0.000 0.000 0.291 615 A C -1.626 176.031 177.584 0.122 0.000 1.055 615 A CA -1.009 51.054 52.037 0.043 0.000 0.651 615 A CB 1.582 20.641 19.000 0.100 0.000 1.296 615 A HN 0.543 nan 8.150 nan 0.000 0.431 616 K N 0.691 121.146 120.400 0.091 0.000 2.172 616 K HA 0.559 4.879 4.320 -0.000 0.000 0.276 616 K C -0.879 175.783 176.600 0.103 0.000 1.013 616 K CA -0.177 56.160 56.287 0.083 0.000 0.913 616 K CB 1.329 33.849 32.500 0.034 0.000 1.055 616 K HN 0.513 nan 8.250 nan 0.000 0.461 617 I N 4.492 125.096 120.570 0.056 0.000 2.322 617 I HA -0.007 4.163 4.170 -0.000 0.000 0.292 617 I C 1.179 177.263 176.117 -0.055 0.000 1.060 617 I CA -0.188 61.084 61.300 -0.047 0.000 1.309 617 I CB 0.612 38.581 38.000 -0.051 0.000 1.415 617 I HN 0.459 nan 8.210 nan 0.000 0.492 618 K N 3.763 124.112 120.400 -0.085 0.000 2.098 618 K HA 0.100 4.420 4.320 -0.000 0.000 0.203 618 K C 0.561 177.118 176.600 -0.071 0.000 1.051 618 K CA 0.643 56.895 56.287 -0.058 0.000 0.957 618 K CB 0.039 32.512 32.500 -0.044 0.000 0.738 618 K HN 0.739 nan 8.250 nan 0.000 0.447 619 S N -0.682 114.948 115.700 -0.116 0.000 2.578 619 S HA 0.567 5.037 4.470 -0.000 0.000 0.272 619 S C -0.941 173.567 174.600 -0.154 0.000 1.145 619 S CA -1.062 57.074 58.200 -0.106 0.000 0.835 619 S CB 1.179 64.329 63.200 -0.084 0.000 1.104 619 S HN 0.024 nan 8.310 nan 0.000 0.458 620 I N 1.682 122.172 120.570 -0.134 0.000 2.466 620 I HA 0.480 4.650 4.170 -0.000 0.000 0.289 620 I C -1.439 174.561 176.117 -0.195 0.000 1.026 620 I CA -0.362 60.824 61.300 -0.189 0.000 1.078 620 I CB 1.973 39.875 38.000 -0.162 0.000 1.249 620 I HN 0.794 nan 8.210 nan 0.000 0.429 621 D N 5.492 125.753 120.400 -0.231 0.000 2.425 621 D HA 0.335 4.975 4.640 -0.000 0.000 0.240 621 D C 0.284 176.419 176.300 -0.275 0.000 1.080 621 D CA -0.561 53.314 54.000 -0.207 0.000 0.836 621 D CB 1.949 42.655 40.800 -0.156 0.000 1.125 621 D HN 0.320 nan 8.370 nan 0.000 0.525 622 V N 1.788 121.533 119.914 -0.281 0.000 3.483 622 V HA 0.146 4.266 4.120 -0.000 0.000 0.301 622 V C 1.569 177.489 176.094 -0.290 0.000 1.389 622 V CA 0.658 62.759 62.300 -0.331 0.000 1.101 622 V CB -0.490 31.137 31.823 -0.326 0.000 0.971 622 V HN 0.505 nan 8.190 nan 0.000 0.434 623 S N 0.469 116.040 115.700 -0.214 0.000 2.402 623 S HA -0.218 4.251 4.470 -0.000 0.000 0.233 623 S C 1.719 176.194 174.600 -0.209 0.000 1.030 623 S CA 1.700 59.789 58.200 -0.185 0.000 1.003 623 S CB -0.439 62.684 63.200 -0.129 0.000 0.813 623 S HN 0.663 nan 8.310 nan 0.000 0.477 624 E N 1.722 121.796 120.200 -0.209 0.000 2.076 624 E HA 0.166 4.516 4.350 -0.000 0.000 0.190 624 E C 2.519 178.972 176.600 -0.246 0.000 0.979 624 E CA 1.028 57.315 56.400 -0.188 0.000 0.807 624 E CB -0.752 28.859 29.700 -0.148 0.000 0.761 624 E HN 0.633 nan 8.360 nan 0.000 0.454 625 A N 1.476 124.103 122.820 -0.322 0.000 1.908 625 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 625 A C 2.081 179.189 177.584 -0.793 0.000 1.181 625 A CA 1.526 53.315 52.037 -0.414 0.000 0.627 625 A CB -0.631 18.146 19.000 -0.372 0.000 0.818 625 A HN 0.218 nan 8.150 nan 0.000 0.445 626 Q N -0.540 118.674 119.800 -0.978 0.000 2.368 626 Q HA -0.164 4.176 4.340 -0.000 0.000 0.210 626 Q C 1.669 177.426 176.000 -0.405 0.000 0.982 626 Q CA 1.444 56.652 55.803 -0.992 0.000 0.884 626 Q CB -0.134 28.296 28.738 -0.512 0.000 0.933 626 Q HN 0.668 nan 8.270 nan 0.000 0.460 627 K N -0.208 120.017 120.400 -0.291 0.000 2.314 627 K HA 0.068 4.388 4.320 -0.000 0.000 0.198 627 K C 0.284 176.816 176.600 -0.113 0.000 1.045 627 K CA 0.037 56.233 56.287 -0.151 0.000 0.988 627 K CB 0.522 32.949 32.500 -0.123 0.000 0.783 627 K HN -0.045 nan 8.250 nan 0.000 0.484 628 V N 4.111 123.950 119.914 -0.124 0.000 2.599 628 V HA 0.007 4.127 4.120 -0.000 0.000 0.300 628 V C -2.199 173.830 176.094 -0.109 0.000 1.034 628 V CA -1.292 60.953 62.300 -0.092 0.000 1.115 628 V CB 0.217 32.022 31.823 -0.030 0.000 0.934 628 V HN 0.070 nan 8.190 nan 0.000 0.485 629 P HA 0.205 nan 4.420 nan 0.000 0.266 629 P C 0.944 178.018 177.300 -0.377 0.000 1.195 629 P CA 1.337 64.258 63.100 -0.297 0.000 0.768 629 P CB 0.548 32.029 31.700 -0.365 0.000 0.838 630 G N 1.857 110.619 108.800 -0.063 0.000 2.184 630 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.264 630 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.264 630 G C 0.132 175.111 174.900 0.133 0.000 0.975 630 G CA -0.333 44.826 45.100 0.099 0.000 0.642 630 G HN 0.555 nan 8.290 nan 0.000 0.536 631 F N 0.920 120.865 119.950 -0.009 0.000 2.572 631 F HA 0.427 4.955 4.527 0.000 0.000 0.370 631 F C 1.268 177.085 175.800 0.028 0.000 1.103 631 F CA 0.875 58.889 58.000 0.023 0.000 1.286 631 F CB 1.058 40.060 39.000 0.003 0.000 1.105 631 F HN -0.081 nan 8.300 nan 0.000 0.583 632 V N 4.267 123.719 119.914 -0.769 0.000 2.911 632 V HA 0.120 4.240 4.120 -0.000 0.000 0.237 632 V C 0.247 175.885 176.094 -0.759 0.000 1.156 632 V CA 1.019 62.993 62.300 -0.543 0.000 1.180 632 V CB 0.405 32.029 31.823 -0.332 0.000 0.932 632 V HN 1.053 nan 8.190 nan 0.000 0.483 633 C N -1.794 116.846 119.300 -1.099 0.000 3.253 633 C HA 0.642 5.102 4.460 -0.000 0.000 0.342 633 C C -1.514 173.340 174.990 -0.226 0.000 1.306 633 C CA -1.331 57.352 59.018 -0.559 0.000 1.207 633 C CB 0.706 28.327 27.740 -0.198 0.000 1.479 633 C HN 0.296 nan 8.230 nan 0.000 0.469 634 F N 2.022 121.998 119.950 0.044 0.000 2.444 634 F HA 0.842 5.369 4.527 0.000 0.000 0.342 634 F C -0.874 174.936 175.800 0.016 0.000 1.121 634 F CA -1.277 56.780 58.000 0.095 0.000 0.997 634 F CB 0.934 40.049 39.000 0.191 0.000 1.130 634 F HN 0.737 nan 8.300 nan 0.000 0.454 635 L N 5.845 126.595 121.223 -0.789 0.000 2.325 635 L HA 0.715 5.055 4.340 -0.000 0.000 0.278 635 L C -0.217 176.017 176.870 -1.059 0.000 1.023 635 L CA -0.533 53.948 54.840 -0.600 0.000 0.811 635 L CB 1.831 43.773 42.059 -0.193 0.000 1.249 635 L HN 0.815 nan 8.230 nan 0.000 0.431 636 S N 0.766 116.147 115.700 -0.532 0.000 2.794 636 S HA 0.624 5.094 4.470 -0.000 0.000 0.299 636 S C 0.676 175.367 174.600 0.152 0.000 1.179 636 S CA -0.139 57.806 58.200 -0.425 0.000 0.838 636 S CB 1.311 64.365 63.200 -0.242 0.000 1.206 636 S HN 0.610 nan 8.310 nan 0.000 0.523 637 A N 1.064 124.010 122.820 0.210 0.000 1.903 637 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 637 A C 1.549 179.213 177.584 0.133 0.000 1.191 637 A CA 2.340 54.516 52.037 0.232 0.000 0.638 637 A CB -1.460 17.629 19.000 0.148 0.000 0.823 637 A HN 0.838 nan 8.150 nan 0.000 0.451 638 D N 0.090 120.545 120.400 0.093 0.000 2.309 638 D HA -0.093 4.547 4.640 -0.000 0.000 0.212 638 D C 0.873 177.218 176.300 0.075 0.000 0.968 638 D CA 1.007 55.049 54.000 0.070 0.000 0.882 638 D CB -0.340 40.495 40.800 0.059 0.000 0.918 638 D HN 0.493 nan 8.370 nan 0.000 0.503 639 D N 0.265 120.723 120.400 0.096 0.000 2.323 639 D HA 0.015 4.655 4.640 -0.000 0.000 0.209 639 D C 0.926 177.294 176.300 0.112 0.000 0.973 639 D CA 0.056 54.122 54.000 0.111 0.000 0.874 639 D CB 0.763 41.632 40.800 0.115 0.000 0.930 639 D HN 0.282 nan 8.370 nan 0.000 0.521 640 I N 3.663 124.272 120.570 0.065 0.000 2.587 640 I HA -0.033 4.137 4.170 -0.000 0.000 0.284 640 I C -0.829 175.259 176.117 -0.048 0.000 1.134 640 I CA -0.952 60.333 61.300 -0.024 0.000 1.410 640 I CB 1.057 39.017 38.000 -0.066 0.000 1.392 640 I HN -0.146 nan 8.210 nan 0.000 0.545 641 P HA -0.001 nan 4.420 nan 0.000 0.224 641 P C 0.937 178.159 177.300 -0.129 0.000 1.157 641 P CA 0.758 63.779 63.100 -0.131 0.000 0.799 641 P CB 0.541 32.055 31.700 -0.310 0.000 0.809 642 G N -0.053 108.649 108.800 -0.163 0.000 2.756 642 G HA2 0.206 4.166 3.960 -0.000 0.000 0.203 642 G HA3 0.206 4.166 3.960 -0.000 0.000 0.203 642 G C -0.292 174.551 174.900 -0.095 0.000 2.015 642 G CA 0.203 45.227 45.100 -0.125 0.000 0.835 642 G HN 0.356 nan 8.290 nan 0.000 0.648 643 S N -0.624 115.013 115.700 -0.106 0.000 2.513 643 S HA 0.380 4.850 4.470 -0.000 0.000 0.299 643 S C -0.029 174.506 174.600 -0.109 0.000 1.087 643 S CA -0.615 57.529 58.200 -0.093 0.000 1.012 643 S CB 1.733 64.876 63.200 -0.094 0.000 1.044 643 S HN 0.336 nan 8.310 nan 0.000 0.485 644 N N 2.655 121.306 118.700 -0.082 0.000 2.268 644 N HA 0.101 4.841 4.740 -0.000 0.000 0.204 644 N C -0.173 175.290 175.510 -0.078 0.000 1.124 644 N CA -0.081 52.919 53.050 -0.082 0.000 0.838 644 N CB 0.289 38.758 38.487 -0.030 0.000 0.994 644 N HN 0.776 nan 8.380 nan 0.000 0.489 645 E N -0.020 120.123 120.200 -0.096 0.000 2.134 645 E HA 0.282 4.631 4.350 -0.000 0.000 0.278 645 E C -0.813 175.673 176.600 -0.190 0.000 0.959 645 E CA -0.289 56.050 56.400 -0.102 0.000 0.783 645 E CB 0.947 30.600 29.700 -0.078 0.000 1.095 645 E HN 0.077 nan 8.360 nan 0.000 0.399 646 T N 2.236 116.657 114.554 -0.221 0.000 2.618 646 T HA 0.750 5.100 4.350 -0.000 0.000 0.286 646 T C -0.589 173.882 174.700 -0.383 0.000 1.027 646 T CA 0.407 62.251 62.100 -0.427 0.000 1.063 646 T CB 1.100 69.731 68.868 -0.395 0.000 1.440 646 T HN 0.966 nan 8.240 nan 0.000 0.505 647 G N 0.492 108.964 108.800 -0.548 0.000 2.690 647 G HA2 -0.035 3.924 3.960 -0.000 0.000 0.686 647 G HA3 -0.035 3.924 3.960 -0.000 0.000 0.686 647 G C 0.230 175.097 174.900 -0.055 0.000 1.277 647 G CA -0.187 44.833 45.100 -0.133 0.000 0.799 647 G HN 0.894 nan 8.290 nan 0.000 0.613 648 L N 0.142 121.483 121.223 0.196 0.000 2.081 648 L HA 0.133 4.473 4.340 -0.000 0.000 0.212 648 L C 2.021 178.673 176.870 -0.364 0.000 1.080 648 L CA 2.292 57.156 54.840 0.039 0.000 0.754 648 L CB -0.480 41.600 42.059 0.036 0.000 0.893 648 L HN 0.552 nan 8.230 nan 0.000 0.433 649 F N -1.025 118.943 119.950 0.030 0.000 2.791 649 F HA 0.258 4.785 4.527 -0.000 0.000 0.308 649 F C 0.811 176.587 175.800 -0.040 0.000 1.138 649 F CA -0.686 57.310 58.000 -0.007 0.000 1.294 649 F CB -0.824 38.156 39.000 -0.033 0.000 0.975 649 F HN 0.019 nan 8.300 nan 0.000 0.512 650 N N 1.225 119.928 118.700 0.004 0.000 2.716 650 N HA -0.233 4.507 4.740 -0.000 0.000 0.250 650 N C -0.428 175.084 175.510 0.004 0.000 1.033 650 N CA 1.030 54.054 53.050 -0.043 0.000 0.727 650 N CB -0.728 37.735 38.487 -0.041 0.000 0.950 650 N HN 0.483 nan 8.380 nan 0.000 0.541 651 D N -1.005 119.412 120.400 0.028 0.000 2.538 651 D HA 0.127 4.767 4.640 -0.000 0.000 0.231 651 D C -0.092 176.223 176.300 0.025 0.000 1.229 651 D CA 0.027 54.048 54.000 0.034 0.000 0.828 651 D CB 0.219 41.042 40.800 0.039 0.000 1.035 651 D HN 0.435 nan 8.370 nan 0.000 0.495 652 E N -0.183 120.019 120.200 0.004 0.000 2.392 652 E HA 0.496 4.846 4.350 -0.000 0.000 0.269 652 E C -0.534 176.079 176.600 0.021 0.000 0.924 652 E CA -0.970 55.441 56.400 0.019 0.000 0.784 652 E CB 1.866 31.570 29.700 0.007 0.000 1.292 652 E HN 0.128 nan 8.360 nan 0.000 0.447 653 T N -2.246 112.362 114.554 0.091 0.000 2.925 653 T HA 0.296 4.645 4.350 -0.000 0.000 0.285 653 T C 0.838 175.570 174.700 0.054 0.000 1.021 653 T CA -0.783 61.367 62.100 0.084 0.000 1.042 653 T CB 1.381 70.349 68.868 0.167 0.000 1.037 653 T HN 0.160 nan 8.240 nan 0.000 0.481 654 V N 0.378 120.262 119.914 -0.049 0.000 2.488 654 V HA 0.246 4.366 4.120 -0.000 0.000 0.246 654 V C 0.201 176.217 176.094 -0.130 0.000 1.046 654 V CA 0.928 63.110 62.300 -0.197 0.000 1.053 654 V CB -0.621 30.962 31.823 -0.400 0.000 0.679 654 V HN 0.842 nan 8.190 nan 0.000 0.458 655 F N -0.879 119.077 119.950 0.012 0.000 2.561 655 F HA 0.675 5.202 4.527 0.000 0.000 0.313 655 F C 0.309 176.087 175.800 -0.037 0.000 1.126 655 F CA -1.089 56.901 58.000 -0.017 0.000 0.918 655 F CB 1.350 40.325 39.000 -0.042 0.000 1.199 655 F HN -0.014 nan 8.300 nan 0.000 0.444 656 A N 3.168 126.021 122.820 0.056 0.000 2.567 656 A HA 0.194 4.513 4.320 -0.000 0.000 0.240 656 A C -0.374 177.216 177.584 0.010 0.000 1.053 656 A CA 0.281 52.239 52.037 -0.132 0.000 0.755 656 A CB 0.220 18.957 19.000 -0.439 0.000 0.978 656 A HN 0.586 nan 8.150 nan 0.000 0.507 657 K N 2.338 122.767 120.400 0.049 0.000 2.535 657 K HA 0.426 4.746 4.320 -0.000 0.000 0.253 657 K C -0.090 176.549 176.600 0.065 0.000 0.953 657 K CA 0.015 56.339 56.287 0.061 0.000 0.863 657 K CB 0.554 33.097 32.500 0.071 0.000 1.111 657 K HN 0.719 nan 8.250 nan 0.000 0.431 658 D N 0.550 120.980 120.400 0.050 0.000 2.719 658 D HA -0.211 4.428 4.640 -0.000 0.000 0.170 658 D C -0.158 176.187 176.300 0.075 0.000 1.631 658 D CA 2.410 56.442 54.000 0.053 0.000 1.883 658 D CB -0.887 39.946 40.800 0.055 0.000 1.378 658 D HN 0.697 nan 8.370 nan 0.000 0.448 659 T N -2.044 112.575 114.554 0.110 0.000 2.900 659 T HA 0.622 4.972 4.350 -0.000 0.000 0.303 659 T C -0.272 174.563 174.700 0.225 0.000 1.142 659 T CA -0.435 61.766 62.100 0.168 0.000 1.007 659 T CB 2.878 71.863 68.868 0.195 0.000 1.156 659 T HN 0.339 nan 8.240 nan 0.000 0.490 660 V N 0.157 120.251 119.914 0.300 0.000 2.581 660 V HA 0.813 4.933 4.120 -0.000 0.000 0.303 660 V C 0.728 177.102 176.094 0.466 0.000 1.041 660 V CA -0.219 62.342 62.300 0.435 0.000 0.907 660 V CB 1.182 33.206 31.823 0.334 0.000 0.994 660 V HN 1.212 nan 8.190 nan 0.000 0.442 661 T N -1.154 113.671 114.554 0.451 0.000 3.129 661 T HA 0.428 4.777 4.350 -0.000 0.000 0.267 661 T C 0.213 174.905 174.700 -0.012 0.000 1.018 661 T CA 0.313 62.457 62.100 0.073 0.000 0.903 661 T CB -0.754 68.066 68.868 -0.080 0.000 1.067 661 T HN 1.808 nan 8.240 nan 0.000 0.549 662 C N -0.970 118.381 119.300 0.085 0.000 3.249 662 C HA 0.645 5.105 4.460 -0.000 0.000 0.358 662 C C -0.643 174.416 174.990 0.114 0.000 1.187 662 C CA -1.252 57.799 59.018 0.055 0.000 1.170 662 C CB 0.683 28.425 27.740 0.003 0.000 1.478 662 C HN 0.153 nan 8.230 nan 0.000 0.508 663 V N 3.316 123.282 119.914 0.086 0.000 2.529 663 V HA 0.542 4.662 4.120 -0.000 0.000 0.292 663 V C 1.587 177.755 176.094 0.123 0.000 1.028 663 V CA 2.348 64.702 62.300 0.091 0.000 1.074 663 V CB 0.420 32.284 31.823 0.068 0.000 0.958 663 V HN 2.350 nan 8.190 nan 0.000 0.481 664 G N 3.238 112.129 108.800 0.151 0.000 2.218 664 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.216 664 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.216 664 G C 0.266 175.299 174.900 0.222 0.000 0.994 664 G CA 0.129 45.328 45.100 0.164 0.000 0.637 664 G HN 0.900 nan 8.290 nan 0.000 0.505 665 H N 0.995 120.134 119.070 0.115 0.000 3.107 665 H HA 0.321 4.877 4.556 -0.000 0.000 0.301 665 H C 0.740 176.158 175.328 0.149 0.000 0.981 665 H CA -0.327 55.797 56.048 0.127 0.000 1.443 665 H CB 0.165 30.004 29.762 0.129 0.000 1.479 665 H HN 0.271 nan 8.280 nan 0.000 0.564 666 I N 7.626 128.407 120.570 0.352 0.000 2.505 666 I HA -0.131 4.039 4.170 -0.000 0.000 0.287 666 I C 1.021 177.194 176.117 0.093 0.000 1.104 666 I CA 0.276 61.710 61.300 0.223 0.000 1.387 666 I CB 0.608 38.791 38.000 0.306 0.000 1.404 666 I HN 0.697 nan 8.210 nan 0.000 0.528 667 I N 4.781 125.357 120.570 0.009 0.000 2.731 667 I HA 0.214 4.384 4.170 -0.000 0.000 0.260 667 I C 1.305 177.246 176.117 -0.293 0.000 1.138 667 I CA 0.413 61.671 61.300 -0.069 0.000 1.461 667 I CB 0.053 38.059 38.000 0.010 0.000 1.128 667 I HN 0.767 nan 8.210 nan 0.000 0.438 668 G N 0.073 108.601 108.800 -0.453 0.000 2.500 668 G HA2 0.726 4.685 3.960 -0.000 0.000 0.299 668 G HA3 0.726 4.685 3.960 -0.000 0.000 0.299 668 G C -2.037 172.461 174.900 -0.670 0.000 1.242 668 G CA 0.166 44.568 45.100 -1.163 0.000 0.859 668 G HN 0.233 nan 8.290 nan 0.000 0.481 669 A N -1.477 120.958 122.820 -0.641 0.000 2.589 669 A HA 0.744 5.064 4.320 -0.000 0.000 0.296 669 A C -1.457 176.104 177.584 -0.038 0.000 1.062 669 A CA -0.370 51.575 52.037 -0.153 0.000 0.686 669 A CB 1.584 20.573 19.000 -0.019 0.000 1.282 669 A HN 1.536 nan 8.150 nan 0.000 0.404 670 V N 1.154 121.159 119.914 0.151 0.000 2.547 670 V HA 0.630 4.750 4.120 -0.000 0.000 0.299 670 V C -0.342 175.800 176.094 0.080 0.000 1.040 670 V CA -0.466 61.953 62.300 0.200 0.000 0.913 670 V CB 1.727 33.744 31.823 0.324 0.000 0.992 670 V HN 0.742 nan 8.190 nan 0.000 0.449 671 V N 3.399 123.287 119.914 -0.044 0.000 2.540 671 V HA 0.941 5.061 4.120 -0.000 0.000 0.302 671 V C 0.151 176.181 176.094 -0.106 0.000 1.035 671 V CA -0.174 62.095 62.300 -0.053 0.000 0.873 671 V CB 1.426 33.185 31.823 -0.106 0.000 0.992 671 V HN 1.098 nan 8.190 nan 0.000 0.428 672 A N 2.794 125.639 122.820 0.043 0.000 2.552 672 A HA 0.708 5.028 4.320 -0.000 0.000 0.288 672 A C 0.407 178.104 177.584 0.189 0.000 1.193 672 A CA -0.029 52.061 52.037 0.088 0.000 0.713 672 A CB 1.407 20.519 19.000 0.186 0.000 1.305 672 A HN 0.757 nan 8.150 nan 0.000 0.424 673 D N -0.415 120.111 120.400 0.209 0.000 2.317 673 D HA 0.045 4.685 4.640 -0.000 0.000 0.211 673 D C 0.662 177.135 176.300 0.289 0.000 0.966 673 D CA 1.669 55.816 54.000 0.245 0.000 0.876 673 D CB -0.236 40.682 40.800 0.197 0.000 0.927 673 D HN 0.748 nan 8.370 nan 0.000 0.519 674 T N -4.832 109.778 114.554 0.092 0.000 2.883 674 T HA 0.397 4.747 4.350 -0.000 0.000 0.301 674 T C -2.404 172.006 174.700 -0.484 0.000 1.158 674 T CA -1.504 60.359 62.100 -0.396 0.000 1.007 674 T CB 2.786 71.359 68.868 -0.493 0.000 1.186 674 T HN -0.343 nan 8.240 nan 0.000 0.499 675 P HA -0.055 nan 4.420 nan 0.000 0.217 675 P C 0.932 178.121 177.300 -0.186 0.000 1.150 675 P CA 1.218 64.065 63.100 -0.421 0.000 0.832 675 P CB 0.246 31.672 31.700 -0.457 0.000 0.787 676 E N -0.439 119.619 120.200 -0.238 0.000 2.051 676 E HA -0.187 4.163 4.350 -0.000 0.000 0.192 676 E C 2.195 178.809 176.600 0.023 0.000 0.991 676 E CA 1.334 57.659 56.400 -0.124 0.000 0.799 676 E CB -1.223 28.373 29.700 -0.174 0.000 0.748 676 E HN 0.547 nan 8.360 nan 0.000 0.449 677 H N -0.624 118.431 119.070 -0.026 0.000 2.387 677 H HA 0.005 4.561 4.556 0.000 0.000 0.299 677 H C 1.955 177.333 175.328 0.083 0.000 1.090 677 H CA 0.561 56.631 56.048 0.036 0.000 1.332 677 H CB 0.074 29.866 29.762 0.050 0.000 1.386 677 H HN 0.219 nan 8.280 nan 0.000 0.516 678 A N 1.058 123.995 122.820 0.195 0.000 1.898 678 A HA -0.215 4.105 4.320 -0.000 0.000 0.216 678 A C 2.195 179.877 177.584 0.164 0.000 1.181 678 A CA 1.719 53.866 52.037 0.185 0.000 0.620 678 A CB -0.401 18.700 19.000 0.168 0.000 0.819 678 A HN 0.543 nan 8.150 nan 0.000 0.442 679 E N -0.202 120.065 120.200 0.112 0.000 2.051 679 E HA -0.218 4.131 4.350 -0.000 0.000 0.192 679 E C 2.218 178.887 176.600 0.114 0.000 0.991 679 E CA 1.176 57.631 56.400 0.093 0.000 0.799 679 E CB -0.130 29.587 29.700 0.028 0.000 0.748 679 E HN 0.595 nan 8.360 nan 0.000 0.449 680 R N 0.136 120.702 120.500 0.110 0.000 2.081 680 R HA -0.077 4.263 4.340 -0.000 0.000 0.235 680 R C 2.470 178.859 176.300 0.147 0.000 1.131 680 R CA 1.192 57.362 56.100 0.118 0.000 0.960 680 R CB -0.328 30.033 30.300 0.101 0.000 0.856 680 R HN 0.206 nan 8.270 nan 0.000 0.436 681 A N 1.272 124.186 122.820 0.156 0.000 1.902 681 A HA -0.090 4.229 4.320 -0.000 0.000 0.217 681 A C 2.377 180.040 177.584 0.132 0.000 1.181 681 A CA 1.614 53.736 52.037 0.142 0.000 0.623 681 A CB -0.690 18.485 19.000 0.293 0.000 0.818 681 A HN 0.389 nan 8.150 nan 0.000 0.443 682 A N -0.999 121.929 122.820 0.180 0.000 1.972 682 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 682 A C 1.994 179.654 177.584 0.127 0.000 1.169 682 A CA 2.152 54.288 52.037 0.164 0.000 0.635 682 A CB -0.856 18.255 19.000 0.184 0.000 0.810 682 A HN 0.763 nan 8.150 nan 0.000 0.446 683 H N 0.365 119.464 119.070 0.049 0.000 2.387 683 H HA -0.070 4.486 4.556 -0.000 0.000 0.299 683 H C 1.557 176.887 175.328 0.004 0.000 1.090 683 H CA 2.063 58.129 56.048 0.031 0.000 1.332 683 H CB -0.120 29.657 29.762 0.025 0.000 1.386 683 H HN 0.328 nan 8.280 nan 0.000 0.516 684 V N -1.126 118.734 119.914 -0.090 0.000 3.577 684 V HA 0.246 4.366 4.120 -0.000 0.000 0.294 684 V C 0.637 176.626 176.094 -0.176 0.000 1.317 684 V CA -0.218 61.979 62.300 -0.173 0.000 1.169 684 V CB -0.497 31.265 31.823 -0.103 0.000 1.011 684 V HN 0.034 nan 8.190 nan 0.000 0.426 685 V N 2.165 121.981 119.914 -0.164 0.000 2.479 685 V HA 0.164 4.284 4.120 -0.000 0.000 0.281 685 V C 0.545 176.511 176.094 -0.212 0.000 1.031 685 V CA 0.102 62.260 62.300 -0.237 0.000 1.038 685 V CB 0.863 32.519 31.823 -0.278 0.000 0.981 685 V HN 0.566 nan 8.190 nan 0.000 0.478 686 K N 4.737 125.004 120.400 -0.222 0.000 2.262 686 K HA 0.523 4.842 4.320 -0.000 0.000 0.282 686 K C -1.076 175.401 176.600 -0.205 0.000 1.066 686 K CA -0.395 55.786 56.287 -0.177 0.000 0.901 686 K CB 1.132 33.542 32.500 -0.150 0.000 1.089 686 K HN 0.519 nan 8.250 nan 0.000 0.476 687 V N 3.693 123.485 119.914 -0.205 0.000 2.417 687 V HA 0.254 4.374 4.120 -0.000 0.000 0.291 687 V C -0.233 175.610 176.094 -0.419 0.000 1.024 687 V CA -0.773 61.308 62.300 -0.365 0.000 0.861 687 V CB 1.834 33.350 31.823 -0.511 0.000 0.985 687 V HN 0.773 nan 8.190 nan 0.000 0.436 688 T N 5.264 119.587 114.554 -0.385 0.000 2.749 688 T HA 0.626 4.976 4.350 -0.000 0.000 0.287 688 T C -0.794 173.738 174.700 -0.279 0.000 0.970 688 T CA -0.022 61.942 62.100 -0.226 0.000 0.980 688 T CB 0.286 69.084 68.868 -0.118 0.000 0.924 688 T HN 0.443 nan 8.240 nan 0.000 0.456 689 Y N 1.066 121.360 120.300 -0.009 0.000 2.602 689 Y HA 0.591 5.140 4.550 -0.000 0.000 0.330 689 Y C 0.687 176.581 175.900 -0.009 0.000 1.114 689 Y CA -1.415 56.683 58.100 -0.003 0.000 1.182 689 Y CB 1.294 39.759 38.460 0.007 0.000 1.305 689 Y HN 0.512 nan 8.280 nan 0.000 0.502 690 E N 1.403 121.712 120.200 0.181 0.000 2.460 690 E HA 0.183 4.533 4.350 -0.000 0.000 0.249 690 E C -1.614 175.013 176.600 0.044 0.000 0.962 690 E CA -0.683 55.763 56.400 0.077 0.000 0.787 690 E CB 0.514 30.237 29.700 0.038 0.000 1.341 690 E HN 0.574 nan 8.360 nan 0.000 0.407 691 D N 3.112 123.526 120.400 0.023 0.000 2.478 691 D HA 0.087 4.727 4.640 -0.000 0.000 0.234 691 D C 0.003 176.257 176.300 -0.077 0.000 1.154 691 D CA 0.810 54.795 54.000 -0.025 0.000 0.874 691 D CB 0.798 41.584 40.800 -0.022 0.000 1.198 691 D HN 0.412 nan 8.370 nan 0.000 0.455 692 L N 2.134 123.263 121.223 -0.157 0.000 2.309 692 L HA 0.393 4.733 4.340 -0.000 0.000 0.261 692 L C -2.273 174.517 176.870 -0.132 0.000 1.021 692 L CA -2.105 52.578 54.840 -0.262 0.000 0.823 692 L CB 1.846 43.482 42.059 -0.705 0.000 1.366 692 L HN 0.095 nan 8.230 nan 0.000 0.423 693 P HA 0.143 nan 4.420 nan 0.000 0.264 693 P C -1.169 176.240 177.300 0.180 0.000 1.193 693 P CA 0.038 63.162 63.100 0.041 0.000 0.763 693 P CB 0.713 32.430 31.700 0.028 0.000 0.810 694 A N 3.707 126.599 122.820 0.119 0.000 2.356 694 A HA 0.732 5.052 4.320 -0.000 0.000 0.323 694 A C -0.617 176.974 177.584 0.013 0.000 1.119 694 A CA -0.729 51.374 52.037 0.111 0.000 0.790 694 A CB 0.839 19.890 19.000 0.084 0.000 1.273 694 A HN 0.488 nan 8.150 nan 0.000 0.452 695 I N 3.294 123.840 120.570 -0.041 0.000 2.420 695 I HA 0.206 4.376 4.170 -0.000 0.000 0.282 695 I C -0.036 176.025 176.117 -0.092 0.000 1.019 695 I CA -0.344 60.907 61.300 -0.081 0.000 1.130 695 I CB 1.267 39.192 38.000 -0.125 0.000 1.262 695 I HN 0.579 nan 8.210 nan 0.000 0.454 696 I N 2.718 123.241 120.570 -0.078 0.000 2.685 696 I HA 0.023 4.193 4.170 -0.000 0.000 0.251 696 I C 1.560 177.614 176.117 -0.105 0.000 1.102 696 I CA 1.078 62.324 61.300 -0.090 0.000 1.442 696 I CB -0.658 37.299 38.000 -0.071 0.000 1.194 696 I HN 0.495 nan 8.210 nan 0.000 0.448 697 T N -1.193 113.310 114.554 -0.085 0.000 2.902 697 T HA 0.473 4.823 4.350 -0.000 0.000 0.280 697 T C 1.416 176.081 174.700 -0.060 0.000 0.992 697 T CA -0.493 61.565 62.100 -0.070 0.000 1.015 697 T CB 1.853 70.685 68.868 -0.059 0.000 1.044 697 T HN 0.054 nan 8.240 nan 0.000 0.520 698 I N 0.633 121.193 120.570 -0.018 0.000 2.264 698 I HA -0.164 4.005 4.170 -0.000 0.000 0.248 698 I C 2.439 178.522 176.117 -0.057 0.000 1.111 698 I CA 1.412 62.712 61.300 -0.000 0.000 1.382 698 I CB -0.374 37.672 38.000 0.076 0.000 1.060 698 I HN 0.704 nan 8.210 nan 0.000 0.418 699 E N 0.864 121.026 120.200 -0.063 0.000 2.051 699 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 699 E C 1.796 178.339 176.600 -0.096 0.000 0.991 699 E CA 1.224 57.573 56.400 -0.084 0.000 0.799 699 E CB -0.345 29.315 29.700 -0.067 0.000 0.748 699 E HN 0.391 nan 8.360 nan 0.000 0.449 700 D N 0.441 120.786 120.400 -0.091 0.000 2.104 700 D HA -0.169 4.471 4.640 -0.000 0.000 0.194 700 D C 1.867 178.075 176.300 -0.153 0.000 0.994 700 D CA 1.628 55.567 54.000 -0.103 0.000 0.830 700 D CB -0.406 40.340 40.800 -0.091 0.000 0.959 700 D HN 0.214 nan 8.370 nan 0.000 0.452 701 A N 0.910 123.619 122.820 -0.184 0.000 1.883 701 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 701 A C 2.433 179.752 177.584 -0.442 0.000 1.186 701 A CA 1.100 52.947 52.037 -0.317 0.000 0.624 701 A CB -0.787 18.046 19.000 -0.278 0.000 0.822 701 A HN 0.200 nan 8.150 nan 0.000 0.444 702 I N -0.560 119.862 120.570 -0.248 0.000 2.179 702 I HA -0.262 3.908 4.170 -0.000 0.000 0.242 702 I C 2.531 178.582 176.117 -0.111 0.000 1.088 702 I CA 1.906 63.142 61.300 -0.108 0.000 1.357 702 I CB -0.274 37.683 38.000 -0.072 0.000 1.051 702 I HN 0.379 nan 8.210 nan 0.000 0.409 703 K N 0.845 121.176 120.400 -0.115 0.000 2.280 703 K HA -0.139 4.181 4.320 -0.000 0.000 0.202 703 K C 1.217 177.758 176.600 -0.099 0.000 1.047 703 K CA 1.288 57.525 56.287 -0.084 0.000 0.942 703 K CB 0.066 32.522 32.500 -0.074 0.000 0.739 703 K HN 0.354 nan 8.250 nan 0.000 0.457 704 N N 0.779 119.382 118.700 -0.162 0.000 2.187 704 N HA -0.048 4.692 4.740 -0.000 0.000 0.212 704 N C -0.538 174.836 175.510 -0.227 0.000 1.152 704 N CA 0.087 53.040 53.050 -0.163 0.000 0.872 704 N CB 0.468 38.861 38.487 -0.158 0.000 1.025 704 N HN 0.192 nan 8.380 nan 0.000 0.514 705 N N 0.877 119.388 118.700 -0.314 0.000 2.727 705 N HA -0.197 4.543 4.740 -0.000 0.000 0.249 705 N C -1.041 174.101 175.510 -0.613 0.000 1.048 705 N CA 0.349 53.166 53.050 -0.389 0.000 0.714 705 N CB -1.179 37.272 38.487 -0.060 0.000 0.959 705 N HN 0.009 nan 8.380 nan 0.000 0.544 706 S N 0.997 116.174 115.700 -0.872 0.000 2.592 706 S HA 0.587 5.057 4.470 -0.000 0.000 0.305 706 S C -0.634 173.474 174.600 -0.819 0.000 1.118 706 S CA -0.485 57.328 58.200 -0.646 0.000 1.075 706 S CB -0.272 62.659 63.200 -0.448 0.000 1.107 706 S HN 0.312 nan 8.310 nan 0.000 0.503 707 F N 2.322 122.160 119.950 -0.188 0.000 2.640 707 F HA 0.476 5.003 4.527 -0.000 0.000 0.324 707 F C -0.688 174.973 175.800 -0.231 0.000 1.077 707 F CA -1.321 56.564 58.000 -0.192 0.000 0.965 707 F CB 1.400 40.369 39.000 -0.051 0.000 1.351 707 F HN 0.283 nan 8.300 nan 0.000 0.487 708 Y N 1.081 121.499 120.300 0.197 0.000 2.369 708 Y HA 0.506 5.056 4.550 -0.000 0.000 0.337 708 Y C 0.698 176.616 175.900 0.030 0.000 0.961 708 Y CA -0.261 57.876 58.100 0.062 0.000 1.186 708 Y CB 1.055 39.523 38.460 0.012 0.000 1.139 708 Y HN 0.873 nan 8.280 nan 0.000 0.494 709 G N 1.950 110.842 108.800 0.153 0.000 2.698 709 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.233 709 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.233 709 G C -0.290 174.637 174.900 0.044 0.000 1.352 709 G CA -0.399 44.730 45.100 0.049 0.000 0.879 709 G HN 0.877 nan 8.290 nan 0.000 0.567 710 S N -0.966 114.734 115.700 -0.001 0.000 2.730 710 S HA 0.658 5.127 4.470 -0.000 0.000 0.284 710 S C 0.275 174.832 174.600 -0.071 0.000 1.153 710 S CA 0.363 58.546 58.200 -0.029 0.000 0.995 710 S CB 1.854 65.040 63.200 -0.023 0.000 1.058 710 S HN 1.126 nan 8.310 nan 0.000 0.552 711 E N -0.066 120.065 120.200 -0.115 0.000 2.452 711 E HA 0.129 4.478 4.350 -0.000 0.000 0.261 711 E C -1.024 175.498 176.600 -0.130 0.000 0.987 711 E CA -0.106 56.201 56.400 -0.154 0.000 0.926 711 E CB 0.260 29.877 29.700 -0.140 0.000 0.934 711 E HN 0.505 nan 8.360 nan 0.000 0.452 712 L N 4.403 125.518 121.223 -0.180 0.000 2.322 712 L HA 0.505 4.845 4.340 -0.000 0.000 0.279 712 L C -0.040 176.760 176.870 -0.116 0.000 1.036 712 L CA -0.430 54.268 54.840 -0.236 0.000 0.807 712 L CB 1.373 43.191 42.059 -0.403 0.000 1.226 712 L HN 0.574 nan 8.230 nan 0.000 0.433 713 K N 3.184 123.580 120.400 -0.007 0.000 2.578 713 K HA 0.586 4.905 4.320 -0.000 0.000 0.269 713 K C -1.945 174.824 176.600 0.281 0.000 0.941 713 K CA -0.542 55.816 56.287 0.118 0.000 0.847 713 K CB 2.046 34.592 32.500 0.077 0.000 1.397 713 K HN 0.498 nan 8.250 nan 0.000 0.422 714 I N 2.547 123.276 120.570 0.264 0.000 2.499 714 I HA 0.343 4.513 4.170 -0.000 0.000 0.288 714 I C -1.080 175.179 176.117 0.237 0.000 1.048 714 I CA -0.602 60.872 61.300 0.290 0.000 1.062 714 I CB 2.133 40.329 38.000 0.327 0.000 1.238 714 I HN 0.644 nan 8.210 nan 0.000 0.426 715 E N 6.745 127.064 120.200 0.197 0.000 2.263 715 E HA 0.467 4.817 4.350 -0.000 0.000 0.268 715 E C -1.530 175.154 176.600 0.139 0.000 0.884 715 E CA -0.779 55.717 56.400 0.159 0.000 0.766 715 E CB 2.431 32.205 29.700 0.123 0.000 1.196 715 E HN 0.499 nan 8.360 nan 0.000 0.416 716 K N 3.016 123.494 120.400 0.130 0.000 2.469 716 K HA 0.673 4.993 4.320 -0.000 0.000 0.254 716 K C -0.159 176.482 176.600 0.068 0.000 0.939 716 K CA 0.169 56.516 56.287 0.099 0.000 0.812 716 K CB 1.694 34.264 32.500 0.118 0.000 1.301 716 K HN 0.738 nan 8.250 nan 0.000 0.433 717 G N 2.112 110.940 108.800 0.046 0.000 2.584 717 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.229 717 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.229 717 G C -1.292 173.627 174.900 0.032 0.000 1.320 717 G CA -0.004 45.112 45.100 0.026 0.000 0.891 717 G HN 0.672 nan 8.290 nan 0.000 0.573 718 D N 0.500 120.914 120.400 0.022 0.000 2.389 718 D HA 0.481 5.121 4.640 -0.000 0.000 0.256 718 D C 1.771 178.103 176.300 0.054 0.000 1.239 718 D CA -0.435 53.587 54.000 0.037 0.000 0.925 718 D CB 0.742 41.557 40.800 0.025 0.000 1.145 718 D HN 0.361 nan 8.370 nan 0.000 0.542 719 L N 2.876 124.162 121.223 0.105 0.000 1.955 719 L HA -0.170 4.170 4.340 -0.000 0.000 0.213 719 L C 2.575 179.644 176.870 0.332 0.000 1.072 719 L CA 1.192 56.167 54.840 0.226 0.000 0.755 719 L CB -0.303 41.944 42.059 0.314 0.000 0.888 719 L HN 0.375 nan 8.230 nan 0.000 0.432 720 K N 0.655 121.181 120.400 0.210 0.000 2.059 720 K HA -0.305 4.014 4.320 -0.000 0.000 0.212 720 K C 2.235 178.919 176.600 0.141 0.000 1.050 720 K CA 2.210 58.589 56.287 0.154 0.000 0.927 720 K CB -0.104 32.437 32.500 0.067 0.000 0.714 720 K HN 0.138 nan 8.250 nan 0.000 0.447 721 K N -0.567 119.886 120.400 0.089 0.000 2.103 721 K HA -0.081 4.239 4.320 -0.000 0.000 0.204 721 K C 2.070 178.685 176.600 0.026 0.000 1.052 721 K CA 1.414 57.728 56.287 0.046 0.000 0.945 721 K CB -0.291 32.222 32.500 0.022 0.000 0.722 721 K HN 0.313 nan 8.250 nan 0.000 0.443 722 G N 0.514 109.317 108.800 0.005 0.000 2.421 722 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.216 722 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.216 722 G C 1.151 175.954 174.900 -0.161 0.000 1.171 722 G CA 0.660 45.687 45.100 -0.120 0.000 0.775 722 G HN 0.296 nan 8.290 nan 0.000 0.543 723 F N 1.441 121.363 119.950 -0.047 0.000 2.546 723 F HA 0.064 4.591 4.527 -0.000 0.000 0.298 723 F C 2.788 178.552 175.800 -0.061 0.000 1.120 723 F CA 0.957 58.922 58.000 -0.059 0.000 1.456 723 F CB 0.244 39.212 39.000 -0.054 0.000 1.088 723 F HN 0.062 nan 8.300 nan 0.000 0.572 724 S N -0.618 115.145 115.700 0.104 0.000 2.470 724 S HA -0.065 4.404 4.470 -0.000 0.000 0.225 724 S C 1.631 176.230 174.600 -0.001 0.000 1.006 724 S CA 0.630 58.857 58.200 0.044 0.000 0.934 724 S CB -0.133 63.088 63.200 0.035 0.000 0.778 724 S HN 0.461 nan 8.310 nan 0.000 0.517 725 E N 1.188 121.372 120.200 -0.025 0.000 2.452 725 E HA 0.277 4.627 4.350 -0.000 0.000 0.197 725 E C 0.517 177.074 176.600 -0.072 0.000 1.022 725 E CA -0.112 56.260 56.400 -0.047 0.000 0.890 725 E CB 0.227 29.895 29.700 -0.053 0.000 0.918 725 E HN 0.353 nan 8.360 nan 0.000 0.496 726 A N 1.583 124.347 122.820 -0.094 0.000 2.440 726 A HA 0.031 4.351 4.320 -0.000 0.000 0.251 726 A C 0.442 177.932 177.584 -0.156 0.000 1.089 726 A CA -0.315 51.634 52.037 -0.146 0.000 0.779 726 A CB 0.374 19.261 19.000 -0.188 0.000 1.022 726 A HN -0.018 nan 8.150 nan 0.000 0.492 727 D N 0.768 121.046 120.400 -0.203 0.000 2.194 727 D HA -0.011 4.629 4.640 -0.000 0.000 0.204 727 D C -0.054 176.082 176.300 -0.274 0.000 0.964 727 D CA 1.172 55.059 54.000 -0.188 0.000 0.846 727 D CB 0.168 40.877 40.800 -0.150 0.000 0.962 727 D HN 0.580 nan 8.370 nan 0.000 0.490 728 N N -0.151 118.236 118.700 -0.522 0.000 2.262 728 N HA 0.386 5.126 4.740 -0.000 0.000 0.295 728 N C -1.148 173.965 175.510 -0.663 0.000 1.161 728 N CA -0.440 52.219 53.050 -0.652 0.000 0.767 728 N CB 3.354 41.258 38.487 -0.972 0.000 1.499 728 N HN -0.275 nan 8.380 nan 0.000 0.476 729 V N 1.253 120.999 119.914 -0.281 0.000 2.569 729 V HA 0.391 4.511 4.120 -0.000 0.000 0.301 729 V C -0.533 175.619 176.094 0.096 0.000 1.044 729 V CA -0.736 61.548 62.300 -0.026 0.000 0.874 729 V CB 2.147 34.007 31.823 0.063 0.000 1.002 729 V HN 0.364 nan 8.190 nan 0.000 0.424 730 V N 3.474 123.531 119.914 0.238 0.000 2.495 730 V HA 0.648 4.768 4.120 -0.000 0.000 0.298 730 V C 0.039 176.191 176.094 0.097 0.000 1.031 730 V CA -0.187 62.240 62.300 0.211 0.000 0.871 730 V CB 2.120 34.145 31.823 0.337 0.000 0.988 730 V HN 0.893 nan 8.190 nan 0.000 0.432 731 S N 2.190 117.869 115.700 -0.034 0.000 2.536 731 S HA 0.967 5.437 4.470 -0.000 0.000 0.298 731 S C 0.184 174.555 174.600 -0.382 0.000 1.083 731 S CA -0.160 57.899 58.200 -0.235 0.000 0.995 731 S CB 2.008 65.116 63.200 -0.153 0.000 1.058 731 S HN 1.235 nan 8.310 nan 0.000 0.488 732 G N 0.795 109.105 108.800 -0.815 0.000 2.489 732 G HA2 0.568 4.528 3.960 -0.000 0.000 0.305 732 G HA3 0.568 4.528 3.960 -0.000 0.000 0.305 732 G C -2.094 172.540 174.900 -0.443 0.000 1.311 732 G CA -0.581 44.177 45.100 -0.570 0.000 0.813 732 G HN 0.619 nan 8.290 nan 0.000 0.480 733 E N -1.189 119.031 120.200 0.035 0.000 2.317 733 E HA 0.708 5.058 4.350 -0.000 0.000 0.270 733 E C -1.923 174.901 176.600 0.373 0.000 0.885 733 E CA -0.730 55.800 56.400 0.217 0.000 0.760 733 E CB 2.573 32.354 29.700 0.136 0.000 1.227 733 E HN 0.495 nan 8.360 nan 0.000 0.434 734 L N 3.526 124.987 121.223 0.396 0.000 2.424 734 L HA 0.583 4.923 4.340 -0.000 0.000 0.258 734 L C -2.115 175.004 176.870 0.415 0.000 0.995 734 L CA -0.623 54.440 54.840 0.371 0.000 0.821 734 L CB 1.972 44.201 42.059 0.282 0.000 1.383 734 L HN 0.673 nan 8.230 nan 0.000 0.410 735 Y N 4.018 124.486 120.300 0.279 0.000 2.492 735 Y HA 0.721 5.270 4.550 -0.000 0.000 0.346 735 Y C -1.566 174.493 175.900 0.264 0.000 0.997 735 Y CA -0.869 57.387 58.100 0.259 0.000 1.025 735 Y CB 1.740 40.318 38.460 0.196 0.000 1.263 735 Y HN 0.618 nan 8.280 nan 0.000 0.454 736 I N 5.556 125.843 120.570 -0.471 0.000 2.468 736 I HA 0.615 4.785 4.170 -0.000 0.000 0.285 736 I C 0.090 175.819 176.117 -0.646 0.000 1.039 736 I CA -0.542 60.533 61.300 -0.374 0.000 1.074 736 I CB 0.964 38.836 38.000 -0.214 0.000 1.228 736 I HN 0.870 nan 8.210 nan 0.000 0.436 737 G N 4.468 113.070 108.800 -0.331 0.000 2.664 737 G HA2 0.396 4.356 3.960 -0.000 0.000 0.242 737 G HA3 0.396 4.356 3.960 -0.000 0.000 0.242 737 G C 0.453 175.279 174.900 -0.122 0.000 1.225 737 G CA 0.133 45.170 45.100 -0.105 0.000 0.849 737 G HN 0.826 nan 8.290 nan 0.000 0.581 738 G N -1.422 107.374 108.800 -0.007 0.000 2.468 738 G HA2 0.484 4.444 3.960 -0.000 0.000 0.264 738 G HA3 0.484 4.444 3.960 -0.000 0.000 0.264 738 G C -0.150 174.708 174.900 -0.069 0.000 1.460 738 G CA -0.067 45.020 45.100 -0.022 0.000 1.060 738 G HN 0.770 nan 8.290 nan 0.000 0.543 739 Q N -1.431 118.334 119.800 -0.058 0.000 2.503 739 Q HA 0.171 4.511 4.340 -0.000 0.000 0.268 739 Q C -2.291 173.764 176.000 0.092 0.000 0.982 739 Q CA -0.668 55.114 55.803 -0.036 0.000 0.907 739 Q CB 2.242 30.725 28.738 -0.424 0.000 1.467 739 Q HN 0.617 nan 8.270 nan 0.000 0.394 740 D N 1.290 121.737 120.400 0.078 0.000 2.198 740 D HA 0.150 4.790 4.640 -0.000 0.000 0.245 740 D C 0.335 176.706 176.300 0.118 0.000 1.079 740 D CA -0.018 53.940 54.000 -0.069 0.000 0.854 740 D CB 0.914 41.428 40.800 -0.478 0.000 1.148 740 D HN 0.718 nan 8.370 nan 0.000 0.456 741 H N 3.248 122.254 119.070 -0.108 0.000 2.353 741 H HA -0.112 4.444 4.556 -0.000 0.000 0.298 741 H C 0.605 175.705 175.328 -0.380 0.000 1.103 741 H CA 1.004 56.712 56.048 -0.567 0.000 1.293 741 H CB -0.305 28.993 29.762 -0.773 0.000 1.372 741 H HN 0.515 nan 8.280 nan 0.000 0.501 742 F N 0.529 120.196 119.950 -0.471 0.000 2.943 742 F HA -0.275 4.252 4.527 -0.000 0.000 0.258 742 F C -0.780 174.885 175.800 -0.225 0.000 0.995 742 F CA -0.560 57.262 58.000 -0.296 0.000 0.896 742 F CB -1.630 37.369 39.000 -0.002 0.000 0.821 742 F HN 0.127 nan 8.300 nan 0.000 0.828 743 Y N -0.000 120.364 120.300 0.107 0.000 2.511 743 Y HA 0.218 4.768 4.550 -0.000 0.000 0.332 743 Y C 1.112 177.003 175.900 -0.015 0.000 1.177 743 Y CA -1.452 56.768 58.100 0.200 0.000 1.422 743 Y CB 0.062 38.574 38.460 0.087 0.000 1.271 743 Y HN 0.090 nan 8.280 nan 0.000 0.550 744 L N 1.056 122.430 121.223 0.251 0.000 2.079 744 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 744 L C 1.061 177.888 176.870 -0.070 0.000 1.081 744 L CA 1.574 56.537 54.840 0.205 0.000 0.752 744 L CB -0.635 41.662 42.059 0.396 0.000 0.896 744 L HN 0.875 nan 8.230 nan 0.000 0.433 745 E N 0.630 120.506 120.200 -0.541 0.000 2.146 745 E HA 0.168 4.518 4.350 -0.000 0.000 0.282 745 E C -0.068 176.264 176.600 -0.447 0.000 0.989 745 E CA -0.322 55.454 56.400 -1.040 0.000 0.799 745 E CB 1.058 29.842 29.700 -1.526 0.000 1.088 745 E HN 0.239 nan 8.360 nan 0.000 0.397 746 T N 1.561 115.961 114.554 -0.255 0.000 2.732 746 T HA 0.113 4.463 4.350 -0.000 0.000 0.287 746 T C 0.610 175.119 174.700 -0.318 0.000 0.993 746 T CA -0.595 61.416 62.100 -0.149 0.000 0.966 746 T CB 0.403 69.294 68.868 0.039 0.000 1.047 746 T HN 0.452 nan 8.240 nan 0.000 0.527 747 H N -0.914 118.026 119.070 -0.217 0.000 2.972 747 H HA 0.294 4.850 4.556 -0.000 0.000 0.343 747 H C 0.008 175.284 175.328 -0.087 0.000 1.054 747 H CA 0.205 56.139 56.048 -0.190 0.000 1.412 747 H CB 0.424 30.125 29.762 -0.102 0.000 1.385 747 H HN 0.718 nan 8.280 nan 0.000 0.600 748 C N 3.035 122.354 119.300 0.032 0.000 3.006 748 C HA 0.405 4.865 4.460 -0.000 0.000 0.359 748 C C -0.685 174.344 174.990 0.064 0.000 1.103 748 C CA -0.210 58.839 59.018 0.052 0.000 1.286 748 C CB 1.221 28.977 27.740 0.026 0.000 1.694 748 C HN 0.885 nan 8.230 nan 0.000 0.511 749 T N 5.629 120.234 114.554 0.084 0.000 2.933 749 T HA 0.607 4.957 4.350 -0.000 0.000 0.305 749 T C -1.163 173.600 174.700 0.105 0.000 1.092 749 T CA -0.235 61.921 62.100 0.093 0.000 1.008 749 T CB 1.223 70.137 68.868 0.077 0.000 1.102 749 T HN 0.580 nan 8.240 nan 0.000 0.469 750 I N 2.296 122.956 120.570 0.149 0.000 2.436 750 I HA 0.686 4.856 4.170 -0.000 0.000 0.289 750 I C -0.184 176.053 176.117 0.202 0.000 1.010 750 I CA -0.945 60.455 61.300 0.167 0.000 1.098 750 I CB 1.676 39.800 38.000 0.208 0.000 1.266 750 I HN 0.699 nan 8.210 nan 0.000 0.434 751 A N 7.855 130.760 122.820 0.142 0.000 2.304 751 A HA 0.763 5.082 4.320 -0.000 0.000 0.314 751 A C -0.756 176.902 177.584 0.122 0.000 1.187 751 A CA -0.458 51.648 52.037 0.115 0.000 0.810 751 A CB 0.748 19.793 19.000 0.076 0.000 1.183 751 A HN 0.514 nan 8.150 nan 0.000 0.487 752 I N 4.816 125.461 120.570 0.126 0.000 2.359 752 I HA 0.315 4.485 4.170 -0.000 0.000 0.284 752 I C -2.431 173.705 176.117 0.033 0.000 1.018 752 I CA -2.624 58.734 61.300 0.096 0.000 1.173 752 I CB 1.108 39.210 38.000 0.169 0.000 1.326 752 I HN 0.379 nan 8.210 nan 0.000 0.462 753 P HA 0.246 nan 4.420 nan 0.000 0.287 753 P C 0.068 177.349 177.300 -0.032 0.000 1.281 753 P CA -0.461 62.643 63.100 0.006 0.000 0.781 753 P CB 1.722 33.432 31.700 0.016 0.000 0.903 754 K N 2.491 122.878 120.400 -0.021 0.000 2.186 754 K HA 0.086 4.406 4.320 -0.000 0.000 0.202 754 K C 1.558 178.133 176.600 -0.042 0.000 1.052 754 K CA 1.108 57.373 56.287 -0.038 0.000 0.965 754 K CB -0.834 31.652 32.500 -0.023 0.000 0.746 754 K HN 0.824 nan 8.250 nan 0.000 0.457 755 G N 1.472 110.258 108.800 -0.025 0.000 2.175 755 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.244 755 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.244 755 G C -0.316 174.575 174.900 -0.015 0.000 0.982 755 G CA 0.031 45.114 45.100 -0.028 0.000 0.641 755 G HN 0.353 nan 8.290 nan 0.000 0.527 756 E N 0.522 120.717 120.200 -0.008 0.000 2.191 756 E HA 0.464 4.814 4.350 -0.000 0.000 0.263 756 E C 0.184 176.786 176.600 0.005 0.000 0.881 756 E CA -0.834 55.564 56.400 -0.004 0.000 0.757 756 E CB 0.940 30.634 29.700 -0.010 0.000 1.147 756 E HN 0.176 nan 8.360 nan 0.000 0.414 757 E N 1.468 121.673 120.200 0.008 0.000 2.494 757 E HA -0.296 4.054 4.350 -0.000 0.000 0.249 757 E C 0.729 177.339 176.600 0.017 0.000 1.184 757 E CA 1.182 57.588 56.400 0.010 0.000 0.727 757 E CB -1.439 28.262 29.700 0.002 0.000 1.281 757 E HN 1.134 nan 8.360 nan 0.000 0.405 758 G N -0.005 108.816 108.800 0.035 0.000 2.168 758 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.263 758 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.263 758 G C 0.162 175.080 174.900 0.030 0.000 0.977 758 G CA 0.681 45.810 45.100 0.048 0.000 0.659 758 G HN 0.421 nan 8.290 nan 0.000 0.533 759 E N -0.360 119.850 120.200 0.016 0.000 2.442 759 E HA 0.414 4.764 4.350 -0.000 0.000 0.262 759 E C 0.361 176.965 176.600 0.007 0.000 1.004 759 E CA 0.573 56.975 56.400 0.003 0.000 0.928 759 E CB 0.511 30.208 29.700 -0.005 0.000 0.937 759 E HN 0.472 nan 8.360 nan 0.000 0.446 760 M N 2.519 122.116 119.600 -0.005 0.000 2.365 760 M HA 0.208 4.688 4.480 -0.000 0.000 0.287 760 M C -1.696 174.583 176.300 -0.036 0.000 1.154 760 M CA -0.393 54.905 55.300 -0.005 0.000 0.941 760 M CB 2.066 34.673 32.600 0.010 0.000 1.704 760 M HN 0.413 nan 8.290 nan 0.000 0.479 761 E N 4.120 124.293 120.200 -0.045 0.000 2.165 761 E HA 0.613 4.963 4.350 -0.000 0.000 0.266 761 E C -2.055 174.444 176.600 -0.167 0.000 0.889 761 E CA -0.639 55.683 56.400 -0.130 0.000 0.756 761 E CB 1.366 30.994 29.700 -0.120 0.000 1.131 761 E HN 0.595 nan 8.360 nan 0.000 0.411 762 L N 4.268 125.337 121.223 -0.257 0.000 2.362 762 L HA 0.496 4.836 4.340 -0.000 0.000 0.271 762 L C -1.017 175.632 176.870 -0.368 0.000 1.002 762 L CA -0.469 54.260 54.840 -0.185 0.000 0.818 762 L CB 1.211 43.231 42.059 -0.064 0.000 1.298 762 L HN 0.503 nan 8.230 nan 0.000 0.420 763 F N 2.320 122.278 119.950 0.013 0.000 2.388 763 F HA 0.716 5.243 4.527 -0.000 0.000 0.358 763 F C -0.079 175.721 175.800 -0.000 0.000 1.122 763 F CA -0.825 57.178 58.000 0.004 0.000 1.056 763 F CB 1.579 40.584 39.000 0.009 0.000 1.155 763 F HN 0.038 nan 8.300 nan 0.000 0.461 764 V N 1.429 121.404 119.914 0.102 0.000 2.841 764 V HA 0.355 4.475 4.120 -0.000 0.000 0.310 764 V C -0.339 175.762 176.094 0.013 0.000 1.090 764 V CA -1.043 61.288 62.300 0.051 0.000 0.930 764 V CB 2.139 33.966 31.823 0.008 0.000 1.014 764 V HN 0.651 nan 8.190 nan 0.000 0.425 765 S N 2.536 118.226 115.700 -0.017 0.000 3.036 765 S HA 0.492 4.961 4.470 -0.000 0.000 0.301 765 S C -0.160 174.367 174.600 -0.122 0.000 1.205 765 S CA 0.005 58.152 58.200 -0.089 0.000 0.999 765 S CB -0.371 62.734 63.200 -0.159 0.000 1.337 765 S HN 0.984 nan 8.310 nan 0.000 0.515 766 T N 2.988 117.484 114.554 -0.097 0.000 2.894 766 T HA 0.359 4.709 4.350 -0.000 0.000 0.309 766 T C 0.164 174.809 174.700 -0.092 0.000 1.208 766 T CA -0.543 61.502 62.100 -0.092 0.000 1.016 766 T CB 1.655 70.490 68.868 -0.056 0.000 1.192 766 T HN 0.520 nan 8.240 nan 0.000 0.491 767 Q N 1.598 121.349 119.800 -0.082 0.000 2.319 767 Q HA 0.274 4.614 4.340 -0.000 0.000 0.202 767 Q C 0.144 176.125 176.000 -0.032 0.000 0.896 767 Q CA -0.044 55.723 55.803 -0.059 0.000 0.942 767 Q CB 0.352 29.064 28.738 -0.044 0.000 1.083 767 Q HN 0.302 nan 8.270 nan 0.000 0.510 768 N N 0.130 118.800 118.700 -0.051 0.000 2.790 768 N HA 0.285 5.025 4.740 -0.000 0.000 0.256 768 N C -0.273 175.179 175.510 -0.097 0.000 1.409 768 N CA -0.054 52.956 53.050 -0.066 0.000 0.799 768 N CB 1.097 39.532 38.487 -0.087 0.000 1.170 768 N HN 0.125 nan 8.380 nan 0.000 0.507 769 A N 2.763 125.535 122.820 -0.079 0.000 1.969 769 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 769 A C 2.125 179.649 177.584 -0.099 0.000 1.169 769 A CA 0.976 52.961 52.037 -0.087 0.000 0.635 769 A CB -0.251 18.703 19.000 -0.077 0.000 0.810 769 A HN 0.662 nan 8.150 nan 0.000 0.445 770 M N -0.850 118.694 119.600 -0.093 0.000 2.067 770 M HA -0.160 4.320 4.480 -0.000 0.000 0.260 770 M C 1.789 177.990 176.300 -0.166 0.000 1.069 770 M CA 1.824 57.066 55.300 -0.097 0.000 1.117 770 M CB -0.136 32.423 32.600 -0.068 0.000 1.334 770 M HN 0.130 nan 8.290 nan 0.000 0.407 771 K N -0.260 119.977 120.400 -0.271 0.000 2.148 771 K HA -0.044 4.275 4.320 -0.000 0.000 0.204 771 K C 1.897 178.147 176.600 -0.583 0.000 1.050 771 K CA 1.719 57.663 56.287 -0.572 0.000 0.942 771 K CB -0.843 31.188 32.500 -0.781 0.000 0.724 771 K HN 0.440 nan 8.250 nan 0.000 0.446 772 T N 1.719 116.080 114.554 -0.321 0.000 2.708 772 T HA -0.194 4.156 4.350 -0.000 0.000 0.266 772 T C 1.931 176.578 174.700 -0.088 0.000 1.037 772 T CA 1.499 63.495 62.100 -0.174 0.000 1.146 772 T CB -0.071 68.733 68.868 -0.107 0.000 0.865 772 T HN 0.366 nan 8.240 nan 0.000 0.435 773 Q N 0.903 120.648 119.800 -0.092 0.000 2.020 773 Q HA -0.161 4.178 4.340 -0.000 0.000 0.202 773 Q C 2.513 178.508 176.000 -0.008 0.000 0.982 773 Q CA 2.143 57.916 55.803 -0.050 0.000 0.838 773 Q CB -0.205 28.499 28.738 -0.058 0.000 0.899 773 Q HN 0.654 nan 8.270 nan 0.000 0.423 774 S N -0.450 115.250 115.700 -0.000 0.000 2.383 774 S HA -0.100 4.370 4.470 -0.000 0.000 0.227 774 S C 1.773 176.509 174.600 0.227 0.000 1.026 774 S CA 0.803 59.054 58.200 0.085 0.000 0.981 774 S CB -0.563 62.691 63.200 0.090 0.000 0.818 774 S HN 0.355 nan 8.310 nan 0.000 0.472 775 F N 1.975 121.892 119.950 -0.055 0.000 2.186 775 F HA 0.083 4.610 4.527 -0.000 0.000 0.299 775 F C 2.610 178.366 175.800 -0.073 0.000 1.090 775 F CA -0.343 57.620 58.000 -0.061 0.000 1.307 775 F CB -1.178 37.790 39.000 -0.053 0.000 1.019 775 F HN 0.092 nan 8.300 nan 0.000 0.489 776 V N -0.226 119.766 119.914 0.130 0.000 2.427 776 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 776 V C 2.580 178.665 176.094 -0.014 0.000 1.051 776 V CA 1.564 63.881 62.300 0.028 0.000 1.048 776 V CB -1.251 30.578 31.823 0.009 0.000 0.666 776 V HN 0.309 nan 8.190 nan 0.000 0.456 777 A N -0.330 122.490 122.820 0.000 0.000 1.898 777 A HA -0.240 4.080 4.320 -0.000 0.000 0.216 777 A C 2.330 179.887 177.584 -0.045 0.000 1.181 777 A CA 2.063 54.084 52.037 -0.026 0.000 0.620 777 A CB -0.437 18.555 19.000 -0.013 0.000 0.819 777 A HN 0.505 nan 8.150 nan 0.000 0.442 778 K N -0.968 119.416 120.400 -0.027 0.000 2.057 778 K HA -0.144 4.176 4.320 -0.000 0.000 0.207 778 K C 2.150 178.689 176.600 -0.101 0.000 1.049 778 K CA 1.621 57.871 56.287 -0.062 0.000 0.931 778 K CB -0.227 32.230 32.500 -0.072 0.000 0.714 778 K HN 0.446 nan 8.250 nan 0.000 0.440 779 M N 1.068 120.601 119.600 -0.112 0.000 2.117 779 M HA -0.135 4.345 4.480 -0.000 0.000 0.262 779 M C 1.692 177.881 176.300 -0.185 0.000 1.065 779 M CA 1.587 56.796 55.300 -0.152 0.000 1.114 779 M CB -0.344 32.160 32.600 -0.160 0.000 1.361 779 M HN 0.221 nan 8.290 nan 0.000 0.408 780 L N -0.145 120.965 121.223 -0.188 0.000 2.313 780 L HA 0.075 4.414 4.340 -0.000 0.000 0.214 780 L C 1.307 178.040 176.870 -0.229 0.000 1.119 780 L CA 0.641 55.313 54.840 -0.279 0.000 0.809 780 L CB -0.706 41.216 42.059 -0.229 0.000 0.933 780 L HN 0.630 nan 8.230 nan 0.000 0.449 781 G N 1.054 109.767 108.800 -0.145 0.000 2.248 781 G HA2 -0.185 3.774 3.960 -0.000 0.000 0.263 781 G HA3 -0.185 3.774 3.960 -0.000 0.000 0.263 781 G C -0.068 174.783 174.900 -0.081 0.000 1.082 781 G CA 0.209 45.246 45.100 -0.105 0.000 0.863 781 G HN 0.298 nan 8.290 nan 0.000 0.495 782 V N -3.759 116.112 119.914 -0.071 0.000 3.040 782 V HA 0.963 5.083 4.120 -0.000 0.000 0.312 782 V C -2.197 173.875 176.094 -0.036 0.000 1.115 782 V CA -2.875 59.396 62.300 -0.048 0.000 0.998 782 V CB 1.939 33.736 31.823 -0.043 0.000 1.042 782 V HN 0.069 nan 8.190 nan 0.000 0.433 783 P HA 0.253 nan 4.420 nan 0.000 0.269 783 P C 0.970 178.256 177.300 -0.023 0.000 1.215 783 P CA -0.132 62.954 63.100 -0.024 0.000 0.780 783 P CB 0.853 32.541 31.700 -0.021 0.000 0.898 784 V N 1.408 121.310 119.914 -0.021 0.000 2.594 784 V HA -0.232 3.887 4.120 -0.000 0.000 0.253 784 V C 1.827 177.908 176.094 -0.022 0.000 1.069 784 V CA 2.184 64.472 62.300 -0.020 0.000 1.082 784 V CB -1.418 30.394 31.823 -0.018 0.000 0.680 784 V HN 0.683 nan 8.190 nan 0.000 0.469 785 N N 0.522 119.209 118.700 -0.021 0.000 2.609 785 N HA -0.158 4.582 4.740 -0.000 0.000 0.190 785 N C 1.536 177.034 175.510 -0.020 0.000 1.157 785 N CA 0.818 53.856 53.050 -0.020 0.000 0.918 785 N CB -0.357 38.120 38.487 -0.018 0.000 0.978 785 N HN 0.294 nan 8.380 nan 0.000 0.448 786 R N -0.139 120.349 120.500 -0.020 0.000 2.280 786 R HA 0.238 4.578 4.340 -0.000 0.000 0.195 786 R C -0.063 176.223 176.300 -0.023 0.000 0.935 786 R CA 0.027 56.116 56.100 -0.018 0.000 1.033 786 R CB 0.278 30.569 30.300 -0.015 0.000 0.964 786 R HN 0.263 nan 8.270 nan 0.000 0.489 787 I N 1.943 122.496 120.570 -0.029 0.000 2.354 787 I HA 0.253 4.423 4.170 -0.000 0.000 0.292 787 I C -0.303 175.782 176.117 -0.052 0.000 0.989 787 I CA -1.558 59.719 61.300 -0.038 0.000 1.188 787 I CB 1.306 39.286 38.000 -0.033 0.000 1.342 787 I HN -0.168 nan 8.210 nan 0.000 0.457 788 L N 8.370 129.549 121.223 -0.072 0.000 2.305 788 L HA 0.597 4.937 4.340 -0.000 0.000 0.284 788 L C -0.819 175.965 176.870 -0.143 0.000 1.013 788 L CA -0.333 54.448 54.840 -0.099 0.000 0.819 788 L CB 1.651 43.648 42.059 -0.104 0.000 1.227 788 L HN 0.290 nan 8.230 nan 0.000 0.417 789 V N 6.010 125.844 119.914 -0.134 0.000 2.417 789 V HA 0.619 4.739 4.120 -0.000 0.000 0.291 789 V C -0.105 175.888 176.094 -0.169 0.000 1.024 789 V CA -0.602 61.606 62.300 -0.154 0.000 0.861 789 V CB 1.661 33.421 31.823 -0.106 0.000 0.985 789 V HN 0.723 nan 8.190 nan 0.000 0.436 790 R N 3.287 123.650 120.500 -0.227 0.000 2.534 790 R HA 0.787 5.127 4.340 -0.000 0.000 0.301 790 R C -1.609 174.648 176.300 -0.072 0.000 0.961 790 R CA -0.695 55.301 56.100 -0.174 0.000 0.871 790 R CB 2.459 32.596 30.300 -0.272 0.000 1.170 790 R HN 0.488 nan 8.270 nan 0.000 0.446 791 V N 3.607 123.498 119.914 -0.039 0.000 2.409 791 V HA 0.145 4.265 4.120 -0.000 0.000 0.290 791 V C 0.491 176.589 176.094 0.005 0.000 1.017 791 V CA -0.691 61.602 62.300 -0.011 0.000 0.841 791 V CB 1.421 33.217 31.823 -0.044 0.000 1.003 791 V HN 0.709 nan 8.190 nan 0.000 0.426 792 K N 5.062 125.481 120.400 0.032 0.000 1.995 792 K HA 0.193 4.513 4.320 -0.000 0.000 0.207 792 K C 0.745 177.345 176.600 -0.000 0.000 1.041 792 K CA 1.354 57.650 56.287 0.015 0.000 0.942 792 K CB 0.252 32.756 32.500 0.006 0.000 0.731 792 K HN 0.802 nan 8.250 nan 0.000 0.439 793 R N -1.552 118.925 120.500 -0.037 0.000 2.712 793 R HA 0.424 4.764 4.340 -0.000 0.000 0.272 793 R C -1.333 174.954 176.300 -0.021 0.000 1.032 793 R CA -0.832 55.238 56.100 -0.051 0.000 0.874 793 R CB 0.743 30.982 30.300 -0.102 0.000 1.256 793 R HN 0.014 nan 8.270 nan 0.000 0.468 794 M N 0.651 120.244 119.600 -0.013 0.000 2.456 794 M HA 0.402 4.882 4.480 -0.000 0.000 0.324 794 M C 0.407 176.741 176.300 0.056 0.000 1.124 794 M CA -0.700 54.582 55.300 -0.030 0.000 0.959 794 M CB 2.483 34.985 32.600 -0.165 0.000 1.692 794 M HN 0.935 nan 8.290 nan 0.000 0.444 795 G N 1.708 110.496 108.800 -0.021 0.000 3.458 795 G HA2 0.502 4.462 3.960 -0.000 0.000 0.256 795 G HA3 0.502 4.462 3.960 -0.000 0.000 0.256 795 G C 0.319 175.150 174.900 -0.116 0.000 0.938 795 G CA 0.249 45.288 45.100 -0.101 0.000 1.890 795 G HN 1.095 nan 8.290 nan 0.000 0.639 796 G N -1.282 107.450 108.800 -0.113 0.000 2.712 796 G HA2 0.376 4.336 3.960 -0.000 0.000 0.686 796 G HA3 0.376 4.336 3.960 -0.000 0.000 0.686 796 G C 0.489 175.199 174.900 -0.318 0.000 1.181 796 G CA -0.327 44.639 45.100 -0.224 0.000 0.762 796 G HN 1.202 nan 8.290 nan 0.000 0.641 797 G N -0.671 107.775 108.800 -0.589 0.000 2.641 797 G HA2 0.542 4.502 3.960 -0.000 0.000 0.211 797 G HA3 0.542 4.502 3.960 -0.000 0.000 0.211 797 G C 0.849 175.700 174.900 -0.082 0.000 1.338 797 G CA 0.849 45.763 45.100 -0.309 0.000 0.572 797 G HN 1.737 nan 8.290 nan 0.000 1.023 798 F N 0.973 120.934 119.950 0.018 0.000 3.093 798 F HA -0.188 4.338 4.527 -0.000 0.000 0.283 798 F C 1.969 177.788 175.800 0.032 0.000 0.848 798 F CA 1.057 59.066 58.000 0.016 0.000 1.059 798 F CB -1.497 37.465 39.000 -0.063 0.000 1.191 798 F HN 1.182 nan 8.300 nan 0.000 0.514 799 G N -1.190 107.678 108.800 0.113 0.000 2.258 799 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.233 799 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.233 799 G C 1.175 176.094 174.900 0.032 0.000 1.006 799 G CA 0.150 45.351 45.100 0.168 0.000 0.620 799 G HN 1.213 nan 8.290 nan 0.000 0.511 800 G N 0.100 108.678 108.800 -0.369 0.000 2.509 800 G HA2 0.146 4.106 3.960 -0.000 0.000 0.218 800 G HA3 0.146 4.106 3.960 -0.000 0.000 0.218 800 G C 1.217 176.042 174.900 -0.125 0.000 1.124 800 G CA 1.385 46.027 45.100 -0.763 0.000 0.776 800 G HN 0.532 nan 8.290 nan 0.000 0.547 801 K N -0.199 120.128 120.400 -0.122 0.000 2.455 801 K HA 0.187 4.507 4.320 -0.000 0.000 0.206 801 K C 1.414 178.006 176.600 -0.013 0.000 1.027 801 K CA -0.132 56.113 56.287 -0.071 0.000 1.113 801 K CB 0.710 33.043 32.500 -0.279 0.000 0.850 801 K HN 0.321 nan 8.250 nan 0.000 0.503 802 E N 0.930 121.150 120.200 0.034 0.000 2.152 802 E HA -0.138 4.212 4.350 -0.000 0.000 0.192 802 E C 1.278 177.912 176.600 0.057 0.000 0.983 802 E CA 1.791 58.230 56.400 0.066 0.000 0.818 802 E CB 0.435 30.221 29.700 0.143 0.000 0.758 802 E HN 0.312 nan 8.360 nan 0.000 0.467 803 T N -3.337 111.266 114.554 0.081 0.000 3.304 803 T HA 0.158 4.508 4.350 -0.000 0.000 0.269 803 T C 1.498 176.244 174.700 0.077 0.000 0.895 803 T CA -0.570 61.568 62.100 0.063 0.000 0.948 803 T CB -0.228 68.715 68.868 0.125 0.000 1.242 803 T HN -0.099 nan 8.240 nan 0.000 0.522 804 R N 2.824 123.381 120.500 0.096 0.000 2.341 804 R HA 0.119 4.459 4.340 -0.000 0.000 0.213 804 R C 2.525 178.774 176.300 -0.086 0.000 1.082 804 R CA 1.197 57.318 56.100 0.035 0.000 1.017 804 R CB -1.226 29.098 30.300 0.039 0.000 0.860 804 R HN 0.774 nan 8.270 nan 0.000 0.473 805 S N -0.049 115.666 115.700 0.024 0.000 2.447 805 S HA -0.130 4.340 4.470 -0.000 0.000 0.233 805 S C 1.893 176.500 174.600 0.012 0.000 1.006 805 S CA 1.349 59.584 58.200 0.058 0.000 0.957 805 S CB -0.549 62.753 63.200 0.169 0.000 0.773 805 S HN 0.456 nan 8.310 nan 0.000 0.507 806 T N 1.002 115.572 114.554 0.028 0.000 2.962 806 T HA 0.109 4.458 4.350 -0.000 0.000 0.270 806 T C 1.720 176.461 174.700 0.067 0.000 1.088 806 T CA 0.810 62.953 62.100 0.073 0.000 1.127 806 T CB -0.837 68.148 68.868 0.195 0.000 0.883 806 T HN 0.406 nan 8.240 nan 0.000 0.493 807 L N 0.450 121.692 121.223 0.032 0.000 2.042 807 L HA -0.068 4.272 4.340 -0.000 0.000 0.210 807 L C 2.865 179.755 176.870 0.034 0.000 1.076 807 L CA 1.057 55.915 54.840 0.030 0.000 0.749 807 L CB -0.631 41.432 42.059 0.007 0.000 0.893 807 L HN 0.214 nan 8.230 nan 0.000 0.432 808 V N -1.521 118.400 119.914 0.013 0.000 2.379 808 V HA -0.150 3.970 4.120 -0.000 0.000 0.243 808 V C 2.496 178.623 176.094 0.054 0.000 1.035 808 V CA 1.516 63.845 62.300 0.048 0.000 1.035 808 V CB 0.180 32.034 31.823 0.051 0.000 0.673 808 V HN 0.318 nan 8.190 nan 0.000 0.457 809 S N 0.472 116.199 115.700 0.044 0.000 2.365 809 S HA -0.203 4.267 4.470 -0.000 0.000 0.225 809 S C 2.016 176.633 174.600 0.028 0.000 1.039 809 S CA 1.761 59.985 58.200 0.040 0.000 1.033 809 S CB -0.329 62.890 63.200 0.031 0.000 0.887 809 S HN 0.380 nan 8.310 nan 0.000 0.447 810 V N 1.863 121.786 119.914 0.015 0.000 2.427 810 V HA -0.160 3.960 4.120 -0.000 0.000 0.248 810 V C 2.590 178.636 176.094 -0.079 0.000 1.051 810 V CA 1.548 63.827 62.300 -0.034 0.000 1.048 810 V CB -1.252 30.536 31.823 -0.058 0.000 0.666 810 V HN 0.540 nan 8.190 nan 0.000 0.456 811 A N -0.089 122.705 122.820 -0.045 0.000 1.873 811 A HA -0.139 4.181 4.320 -0.000 0.000 0.215 811 A C 2.395 180.030 177.584 0.086 0.000 1.186 811 A CA 1.960 54.010 52.037 0.023 0.000 0.616 811 A CB -0.676 18.437 19.000 0.188 0.000 0.823 811 A HN 0.320 nan 8.150 nan 0.000 0.442 812 V N -0.055 119.905 119.914 0.077 0.000 2.407 812 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 812 V C 3.042 179.176 176.094 0.067 0.000 1.055 812 V CA 1.897 64.243 62.300 0.078 0.000 1.049 812 V CB -1.181 30.687 31.823 0.074 0.000 0.662 812 V HN 0.617 nan 8.190 nan 0.000 0.455 813 A N -0.166 122.682 122.820 0.047 0.000 1.902 813 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 813 A C 2.153 179.782 177.584 0.074 0.000 1.181 813 A CA 2.043 54.108 52.037 0.047 0.000 0.623 813 A CB -0.555 18.454 19.000 0.014 0.000 0.818 813 A HN 0.461 nan 8.150 nan 0.000 0.443 814 L N -0.268 120.984 121.223 0.049 0.000 2.083 814 L HA -0.035 4.304 4.340 -0.000 0.000 0.209 814 L C 2.601 179.570 176.870 0.163 0.000 1.083 814 L CA 2.108 57.006 54.840 0.097 0.000 0.752 814 L CB -0.800 41.275 42.059 0.026 0.000 0.899 814 L HN 0.333 nan 8.230 nan 0.000 0.433 815 A N -0.437 122.454 122.820 0.118 0.000 1.902 815 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 815 A C 2.465 180.090 177.584 0.068 0.000 1.181 815 A CA 1.772 53.858 52.037 0.082 0.000 0.623 815 A CB -1.168 17.870 19.000 0.064 0.000 0.818 815 A HN 0.566 nan 8.150 nan 0.000 0.443 816 A N -1.247 121.623 122.820 0.084 0.000 1.877 816 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 816 A C 2.161 179.794 177.584 0.082 0.000 1.186 816 A CA 1.750 53.833 52.037 0.077 0.000 0.620 816 A CB -0.906 18.140 19.000 0.078 0.000 0.822 816 A HN 0.804 nan 8.150 nan 0.000 0.443 817 Y N 1.059 121.365 120.300 0.010 0.000 2.097 817 Y HA -0.255 4.295 4.550 -0.000 0.000 0.282 817 Y C 2.328 178.235 175.900 0.011 0.000 1.152 817 Y CA 2.656 60.758 58.100 0.005 0.000 1.136 817 Y CB -0.331 38.127 38.460 -0.004 0.000 0.975 817 Y HN 0.270 nan 8.280 nan 0.000 0.498 818 K N 0.217 120.545 120.400 -0.119 0.000 2.026 818 K HA -0.132 4.188 4.320 -0.000 0.000 0.208 818 K C 2.050 178.554 176.600 -0.160 0.000 1.048 818 K CA 2.493 58.660 56.287 -0.199 0.000 0.929 818 K CB -1.035 31.471 32.500 0.010 0.000 0.713 818 K HN 0.530 nan 8.250 nan 0.000 0.439 819 T N -4.072 110.439 114.554 -0.071 0.000 2.978 819 T HA 0.185 4.534 4.350 -0.000 0.000 0.262 819 T C 1.588 176.345 174.700 0.094 0.000 1.063 819 T CA 0.745 62.836 62.100 -0.016 0.000 1.140 819 T CB -0.366 68.466 68.868 -0.059 0.000 0.886 819 T HN 0.435 nan 8.240 nan 0.000 0.470 820 G N 1.070 109.885 108.800 0.025 0.000 2.159 820 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.256 820 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.256 820 G C -0.003 174.902 174.900 0.009 0.000 0.977 820 G CA 0.259 45.355 45.100 -0.007 0.000 0.652 820 G HN 0.773 nan 8.290 nan 0.000 0.531 821 H N 0.876 119.904 119.070 -0.070 0.000 2.533 821 H HA 0.372 4.928 4.556 -0.000 0.000 0.343 821 H C -2.289 173.006 175.328 -0.056 0.000 1.160 821 H CA -1.691 54.316 56.048 -0.068 0.000 1.218 821 H CB 2.248 31.977 29.762 -0.055 0.000 1.566 821 H HN 0.108 nan 8.280 nan 0.000 0.522 822 P HA 0.045 nan 4.420 nan 0.000 0.272 822 P C -0.596 176.729 177.300 0.042 0.000 1.223 822 P CA -0.108 63.025 63.100 0.055 0.000 0.784 822 P CB 1.227 32.982 31.700 0.092 0.000 0.923 823 V N 2.782 122.710 119.914 0.024 0.000 3.007 823 V HA 0.643 4.762 4.120 -0.000 0.000 0.311 823 V C 0.206 176.280 176.094 -0.033 0.000 1.120 823 V CA -0.739 61.540 62.300 -0.035 0.000 0.980 823 V CB 2.379 34.204 31.823 0.004 0.000 1.033 823 V HN 0.731 nan 8.190 nan 0.000 0.429 824 R N 1.433 121.875 120.500 -0.097 0.000 2.799 824 R HA 0.926 5.266 4.340 -0.000 0.000 0.270 824 R C -1.601 174.734 176.300 0.058 0.000 1.010 824 R CA -0.625 55.462 56.100 -0.022 0.000 0.916 824 R CB 1.837 32.102 30.300 -0.058 0.000 1.228 824 R HN 0.784 nan 8.270 nan 0.000 0.469 825 C N 2.910 122.273 119.300 0.106 0.000 2.871 825 C HA 0.599 5.059 4.460 -0.000 0.000 0.378 825 C C -1.193 173.877 174.990 0.133 0.000 1.052 825 C CA -0.562 58.545 59.018 0.148 0.000 1.250 825 C CB 1.305 29.127 27.740 0.136 0.000 1.689 825 C HN 1.000 nan 8.230 nan 0.000 0.506 826 M N 6.875 126.563 119.600 0.146 0.000 2.253 826 M HA 0.597 5.076 4.480 -0.000 0.000 0.314 826 M C -1.334 175.040 176.300 0.122 0.000 1.019 826 M CA -0.562 54.809 55.300 0.120 0.000 0.932 826 M CB 1.236 33.907 32.600 0.118 0.000 1.606 826 M HN 0.715 nan 8.290 nan 0.000 0.430 827 L N 3.934 125.229 121.223 0.121 0.000 2.426 827 L HA 0.241 4.581 4.340 -0.000 0.000 0.271 827 L C 0.113 177.056 176.870 0.122 0.000 1.169 827 L CA -0.473 54.444 54.840 0.129 0.000 0.836 827 L CB 0.327 42.477 42.059 0.152 0.000 1.112 827 L HN 0.655 nan 8.230 nan 0.000 0.465 828 D N 1.070 121.545 120.400 0.124 0.000 2.344 828 D HA 0.036 4.676 4.640 -0.000 0.000 0.244 828 D C 0.925 177.312 176.300 0.144 0.000 1.134 828 D CA -0.329 53.751 54.000 0.134 0.000 0.930 828 D CB 1.062 41.942 40.800 0.134 0.000 1.175 828 D HN 0.330 nan 8.370 nan 0.000 0.437 829 R N 1.796 122.385 120.500 0.150 0.000 2.103 829 R HA -0.190 4.150 4.340 -0.000 0.000 0.242 829 R C 1.529 177.906 176.300 0.128 0.000 1.142 829 R CA 1.851 58.014 56.100 0.105 0.000 0.960 829 R CB -0.534 29.829 30.300 0.105 0.000 0.858 829 R HN 0.535 nan 8.270 nan 0.000 0.439 830 N N 0.430 119.243 118.700 0.189 0.000 2.223 830 N HA -0.176 4.563 4.740 -0.000 0.000 0.185 830 N C 1.231 176.828 175.510 0.145 0.000 1.016 830 N CA 1.850 55.003 53.050 0.172 0.000 0.863 830 N CB -0.471 38.160 38.487 0.240 0.000 0.983 830 N HN 0.491 nan 8.380 nan 0.000 0.429 831 E N 0.183 120.473 120.200 0.150 0.000 2.072 831 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 831 E C 1.346 178.026 176.600 0.133 0.000 0.985 831 E CA 0.885 57.368 56.400 0.138 0.000 0.801 831 E CB -0.118 29.664 29.700 0.137 0.000 0.750 831 E HN 0.397 nan 8.360 nan 0.000 0.452 832 D N 0.787 121.275 120.400 0.146 0.000 2.092 832 D HA -0.168 4.472 4.640 -0.000 0.000 0.193 832 D C 2.026 178.418 176.300 0.154 0.000 0.994 832 D CA 1.209 55.321 54.000 0.186 0.000 0.828 832 D CB 0.054 40.991 40.800 0.228 0.000 0.963 832 D HN 0.140 nan 8.370 nan 0.000 0.450 833 M N -0.129 119.527 119.600 0.094 0.000 2.159 833 M HA -0.163 4.316 4.480 -0.000 0.000 0.263 833 M C 2.338 178.671 176.300 0.055 0.000 1.063 833 M CA 0.777 56.102 55.300 0.041 0.000 1.110 833 M CB -0.128 32.465 32.600 -0.010 0.000 1.374 833 M HN 0.071 nan 8.290 nan 0.000 0.411 834 L N 0.526 121.795 121.223 0.076 0.000 2.044 834 L HA -0.050 4.289 4.340 -0.000 0.000 0.205 834 L C 1.983 178.919 176.870 0.109 0.000 1.075 834 L CA 1.803 56.695 54.840 0.087 0.000 0.747 834 L CB -0.220 41.896 42.059 0.095 0.000 0.903 834 L HN 0.187 nan 8.230 nan 0.000 0.435 835 I N -0.993 119.644 120.570 0.111 0.000 2.494 835 I HA -0.113 4.056 4.170 -0.000 0.000 0.250 835 I C 1.960 178.130 176.117 0.090 0.000 1.112 835 I CA 1.203 62.566 61.300 0.106 0.000 1.438 835 I CB -0.598 37.464 38.000 0.102 0.000 1.111 835 I HN 0.376 nan 8.210 nan 0.000 0.431 836 T N -0.979 113.632 114.554 0.095 0.000 3.148 836 T HA 0.359 4.709 4.350 -0.000 0.000 0.253 836 T C 1.005 175.804 174.700 0.166 0.000 1.134 836 T CA 0.263 62.414 62.100 0.085 0.000 1.051 836 T CB -0.588 68.321 68.868 0.068 0.000 0.959 836 T HN 0.537 nan 8.240 nan 0.000 0.525 837 G N -0.739 108.160 108.800 0.165 0.000 2.785 837 G HA2 0.344 4.304 3.960 -0.000 0.000 0.685 837 G HA3 0.344 4.304 3.960 -0.000 0.000 0.685 837 G C -0.077 174.985 174.900 0.270 0.000 1.480 837 G CA -0.594 44.611 45.100 0.175 0.000 0.915 837 G HN 1.120 nan 8.290 nan 0.000 0.576 838 G N -0.471 108.438 108.800 0.182 0.000 3.058 838 G HA2 0.775 4.735 3.960 -0.000 0.000 0.282 838 G HA3 0.775 4.735 3.960 -0.000 0.000 0.282 838 G C 0.023 175.024 174.900 0.168 0.000 1.248 838 G CA 0.004 45.188 45.100 0.140 0.000 0.822 838 G HN 0.893 nan 8.290 nan 0.000 0.579 839 R N -0.298 120.313 120.500 0.185 0.000 2.694 839 R HA 0.208 4.547 4.340 -0.000 0.000 0.268 839 R C -0.626 175.747 176.300 0.122 0.000 1.061 839 R CA -0.289 55.911 56.100 0.167 0.000 1.133 839 R CB 0.033 30.240 30.300 -0.155 0.000 1.020 839 R HN 0.573 nan 8.270 nan 0.000 0.475 840 H N 4.156 123.300 119.070 0.123 0.000 2.819 840 H HA 0.182 4.738 4.556 -0.000 0.000 0.303 840 H C -2.022 173.425 175.328 0.199 0.000 1.058 840 H CA -1.334 54.812 56.048 0.163 0.000 1.471 840 H CB 0.752 30.654 29.762 0.235 0.000 1.480 840 H HN 0.442 nan 8.280 nan 0.000 0.517 841 P HA 0.089 nan 4.420 nan 0.000 0.271 841 P C -0.821 176.584 177.300 0.175 0.000 1.218 841 P CA 0.161 63.306 63.100 0.076 0.000 0.780 841 P CB 0.638 32.379 31.700 0.068 0.000 0.901 842 F N 1.626 121.468 119.950 -0.179 0.000 2.551 842 F HA 0.532 5.058 4.527 -0.000 0.000 0.316 842 F C -0.436 175.371 175.800 0.010 0.000 1.089 842 F CA -0.935 57.060 58.000 -0.007 0.000 0.915 842 F CB 1.699 40.727 39.000 0.048 0.000 1.186 842 F HN 0.075 nan 8.300 nan 0.000 0.456 843 L N 3.570 124.993 121.223 0.333 0.000 2.362 843 L HA 0.927 5.267 4.340 -0.000 0.000 0.275 843 L C -1.254 175.869 176.870 0.421 0.000 0.998 843 L CA -0.308 54.777 54.840 0.408 0.000 0.820 843 L CB 1.576 43.863 42.059 0.380 0.000 1.270 843 L HN 0.620 nan 8.230 nan 0.000 0.415 844 A N 4.862 127.906 122.820 0.373 0.000 2.435 844 A HA 0.903 5.223 4.320 -0.000 0.000 0.304 844 A C -0.982 176.801 177.584 0.332 0.000 1.064 844 A CA -0.740 51.480 52.037 0.305 0.000 0.727 844 A CB 1.393 20.511 19.000 0.196 0.000 1.284 844 A HN 0.712 nan 8.150 nan 0.000 0.415 845 R N 1.049 121.718 120.500 0.282 0.000 2.451 845 R HA 0.545 4.885 4.340 -0.000 0.000 0.307 845 R C -1.534 174.873 176.300 0.177 0.000 0.965 845 R CA -0.350 55.868 56.100 0.196 0.000 0.865 845 R CB 1.517 31.917 30.300 0.167 0.000 1.174 845 R HN 0.815 nan 8.270 nan 0.000 0.455 846 Y N -0.483 119.859 120.300 0.069 0.000 2.633 846 Y HA 0.698 5.247 4.550 -0.000 0.000 0.339 846 Y C -0.924 174.999 175.900 0.039 0.000 1.045 846 Y CA -1.353 56.774 58.100 0.045 0.000 1.098 846 Y CB 1.921 40.426 38.460 0.075 0.000 1.296 846 Y HN 0.259 nan 8.280 nan 0.000 0.494 847 K N 2.028 122.483 120.400 0.092 0.000 2.619 847 K HA 0.590 4.910 4.320 -0.000 0.000 0.251 847 K C -2.618 174.102 176.600 0.201 0.000 0.987 847 K CA -0.724 55.612 56.287 0.081 0.000 0.844 847 K CB 2.504 35.014 32.500 0.017 0.000 1.237 847 K HN 0.809 nan 8.250 nan 0.000 0.447 848 V N 3.360 123.375 119.914 0.168 0.000 2.487 848 V HA 0.772 4.892 4.120 -0.000 0.000 0.298 848 V C -0.407 175.781 176.094 0.156 0.000 1.028 848 V CA -0.202 62.096 62.300 -0.004 0.000 0.860 848 V CB 1.521 33.166 31.823 -0.296 0.000 0.991 848 V HN 0.846 nan 8.190 nan 0.000 0.427 849 G N 6.076 114.819 108.800 -0.095 0.000 2.356 849 G HA2 0.754 4.714 3.960 -0.000 0.000 0.322 849 G HA3 0.754 4.714 3.960 -0.000 0.000 0.322 849 G C -1.161 173.723 174.900 -0.026 0.000 1.125 849 G CA -0.481 44.538 45.100 -0.134 0.000 0.885 849 G HN 1.121 nan 8.290 nan 0.000 0.467 850 F N 0.287 120.153 119.950 -0.141 0.000 2.713 850 F HA 0.716 5.243 4.527 -0.000 0.000 0.311 850 F C -0.694 175.061 175.800 -0.074 0.000 1.141 850 F CA -1.866 56.062 58.000 -0.121 0.000 0.939 850 F CB 1.232 40.171 39.000 -0.102 0.000 1.325 850 F HN 0.267 nan 8.300 nan 0.000 0.453 851 M N 2.166 121.812 119.600 0.075 0.000 2.283 851 M HA 0.298 4.778 4.480 -0.000 0.000 0.314 851 M C 1.188 177.553 176.300 0.108 0.000 1.153 851 M CA -0.677 54.627 55.300 0.007 0.000 1.084 851 M CB 1.367 33.975 32.600 0.012 0.000 1.468 851 M HN 0.909 nan 8.290 nan 0.000 0.474 852 K N -0.466 119.958 120.400 0.040 0.000 2.360 852 K HA -0.119 4.201 4.320 -0.000 0.000 0.201 852 K C 1.106 177.771 176.600 0.109 0.000 1.046 852 K CA 1.843 58.179 56.287 0.081 0.000 0.940 852 K CB -0.833 31.686 32.500 0.033 0.000 0.748 852 K HN 0.809 nan 8.250 nan 0.000 0.465 853 T N -3.281 111.326 114.554 0.088 0.000 3.113 853 T HA 0.227 4.577 4.350 -0.000 0.000 0.256 853 T C 1.526 176.275 174.700 0.081 0.000 1.131 853 T CA 0.397 62.540 62.100 0.072 0.000 1.074 853 T CB 0.163 69.058 68.868 0.046 0.000 0.944 853 T HN 0.497 nan 8.240 nan 0.000 0.516 854 G N 0.670 109.551 108.800 0.134 0.000 2.194 854 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.236 854 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.236 854 G C 0.229 175.148 174.900 0.032 0.000 0.987 854 G CA -0.028 45.118 45.100 0.077 0.000 0.635 854 G HN 0.664 nan 8.290 nan 0.000 0.520 855 T N 3.169 117.752 114.554 0.048 0.000 2.853 855 T HA 0.444 4.793 4.350 -0.000 0.000 0.298 855 T C 0.968 175.680 174.700 0.020 0.000 0.978 855 T CA 0.074 62.172 62.100 -0.003 0.000 1.152 855 T CB 0.769 69.628 68.868 -0.015 0.000 0.914 855 T HN 0.240 nan 8.240 nan 0.000 0.539 856 I N 4.823 125.367 120.570 -0.044 0.000 2.529 856 I HA 0.098 4.268 4.170 -0.000 0.000 0.284 856 I C 1.456 177.507 176.117 -0.110 0.000 1.082 856 I CA 0.002 61.260 61.300 -0.071 0.000 1.406 856 I CB 0.862 38.779 38.000 -0.138 0.000 1.405 856 I HN 0.546 nan 8.210 nan 0.000 0.548 857 V N 2.457 122.281 119.914 -0.150 0.000 3.473 857 V HA 0.657 4.777 4.120 -0.000 0.000 0.253 857 V C 0.484 176.395 176.094 -0.306 0.000 1.340 857 V CA 0.289 62.474 62.300 -0.191 0.000 1.103 857 V CB 0.576 32.299 31.823 -0.167 0.000 0.881 857 V HN 0.748 nan 8.190 nan 0.000 0.451 858 A N 0.721 123.265 122.820 -0.460 0.000 2.488 858 A HA 0.864 5.184 4.320 -0.000 0.000 0.298 858 A C -1.796 175.401 177.584 -0.645 0.000 1.044 858 A CA -0.432 51.174 52.037 -0.718 0.000 0.693 858 A CB 2.290 20.373 19.000 -1.528 0.000 1.272 858 A HN 0.768 nan 8.150 nan 0.000 0.402 859 L N 0.790 121.777 121.223 -0.393 0.000 2.464 859 L HA 0.738 5.078 4.340 -0.000 0.000 0.266 859 L C -0.906 175.975 176.870 0.017 0.000 0.965 859 L CA 0.104 54.794 54.840 -0.251 0.000 0.833 859 L CB 2.032 43.867 42.059 -0.372 0.000 1.296 859 L HN 0.770 nan 8.230 nan 0.000 0.405 860 E N 3.766 124.041 120.200 0.125 0.000 2.244 860 E HA 0.687 5.037 4.350 -0.000 0.000 0.260 860 E C -1.705 174.970 176.600 0.125 0.000 0.884 860 E CA -0.581 55.917 56.400 0.163 0.000 0.777 860 E CB 2.378 32.200 29.700 0.204 0.000 1.197 860 E HN 0.428 nan 8.360 nan 0.000 0.416 861 V N 3.298 123.287 119.914 0.124 0.000 2.569 861 V HA 0.283 4.403 4.120 -0.000 0.000 0.301 861 V C -0.966 175.153 176.094 0.041 0.000 1.044 861 V CA -1.016 61.337 62.300 0.088 0.000 0.874 861 V CB 2.037 33.904 31.823 0.074 0.000 1.002 861 V HN 0.622 nan 8.190 nan 0.000 0.424 862 D N 2.871 123.265 120.400 -0.010 0.000 2.349 862 D HA 0.456 5.096 4.640 -0.000 0.000 0.232 862 D C -0.543 175.648 176.300 -0.182 0.000 1.071 862 D CA -0.264 53.700 54.000 -0.061 0.000 0.832 862 D CB 1.287 42.090 40.800 0.006 0.000 1.086 862 D HN 0.592 nan 8.370 nan 0.000 0.504 863 H N 1.207 120.149 119.070 -0.213 0.000 2.463 863 H HA 0.427 4.983 4.556 -0.000 0.000 0.332 863 H C -0.732 174.286 175.328 -0.518 0.000 1.127 863 H CA -0.254 55.727 56.048 -0.112 0.000 1.238 863 H CB 0.800 30.641 29.762 0.133 0.000 1.478 863 H HN 0.304 nan 8.280 nan 0.000 0.499 864 Y N 0.270 120.583 120.300 0.021 0.000 2.354 864 Y HA 0.370 4.920 4.550 -0.000 0.000 0.330 864 Y C -0.312 175.358 175.900 -0.383 0.000 1.011 864 Y CA -0.917 57.119 58.100 -0.108 0.000 1.099 864 Y CB 1.887 40.364 38.460 0.027 0.000 1.179 864 Y HN 0.689 nan 8.280 nan 0.000 0.442 865 S N 1.862 117.334 115.700 -0.380 0.000 2.537 865 S HA 0.446 4.916 4.470 -0.000 0.000 0.301 865 S C -0.847 173.716 174.600 -0.063 0.000 1.092 865 S CA -0.964 56.905 58.200 -0.552 0.000 1.048 865 S CB 1.739 64.474 63.200 -0.775 0.000 1.053 865 S HN 0.635 nan 8.310 nan 0.000 0.501 866 N N 1.265 119.977 118.700 0.020 0.000 2.437 866 N HA 0.367 5.107 4.740 -0.000 0.000 0.243 866 N C 0.681 176.245 175.510 0.089 0.000 1.041 866 N CA -0.200 52.883 53.050 0.054 0.000 0.940 866 N CB 1.350 39.847 38.487 0.017 0.000 1.133 866 N HN 0.797 nan 8.380 nan 0.000 0.506 867 A N 2.662 125.582 122.820 0.167 0.000 2.081 867 A HA 0.375 4.695 4.320 -0.000 0.000 0.214 867 A C 1.131 178.793 177.584 0.129 0.000 1.158 867 A CA 0.951 53.130 52.037 0.237 0.000 0.724 867 A CB -0.622 18.645 19.000 0.444 0.000 0.826 867 A HN 0.921 nan 8.150 nan 0.000 0.463 868 G N 0.401 109.257 108.800 0.092 0.000 2.660 868 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.215 868 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.215 868 G C 0.083 175.065 174.900 0.136 0.000 1.345 868 G CA 0.121 45.252 45.100 0.052 0.000 0.877 868 G HN 1.040 nan 8.290 nan 0.000 0.549 869 N N 0.165 118.904 118.700 0.064 0.000 2.421 869 N HA 0.299 5.039 4.740 -0.000 0.000 0.201 869 N C 0.537 176.109 175.510 0.104 0.000 1.198 869 N CA 1.222 54.311 53.050 0.065 0.000 0.838 869 N CB -0.188 38.254 38.487 -0.075 0.000 1.011 869 N HN 1.848 nan 8.380 nan 0.000 0.463 870 S N -1.765 113.992 115.700 0.094 0.000 2.611 870 S HA 0.462 4.932 4.470 -0.000 0.000 0.268 870 S C 0.366 174.744 174.600 -0.369 0.000 1.156 870 S CA -0.979 57.167 58.200 -0.091 0.000 0.817 870 S CB 1.654 64.840 63.200 -0.024 0.000 1.122 870 S HN 0.020 nan 8.310 nan 0.000 0.466 871 R N 0.664 120.859 120.500 -0.508 0.000 2.057 871 R HA 0.127 4.466 4.340 -0.000 0.000 0.229 871 R C 0.886 177.144 176.300 -0.071 0.000 1.136 871 R CA 1.378 57.160 56.100 -0.531 0.000 0.952 871 R CB -0.813 29.129 30.300 -0.597 0.000 0.848 871 R HN 0.892 nan 8.270 nan 0.000 0.430 872 D N -0.892 119.608 120.400 0.167 0.000 3.608 872 D HA -0.290 4.350 4.640 -0.000 0.000 0.152 872 D C 0.285 176.819 176.300 0.390 0.000 0.971 872 D CA 2.127 56.304 54.000 0.295 0.000 1.072 872 D CB -0.838 40.090 40.800 0.213 0.000 0.507 872 D HN 0.097 nan 8.370 nan 0.000 0.520 873 L N 0.236 121.657 121.223 0.329 0.000 2.611 873 L HA 0.237 4.577 4.340 -0.000 0.000 0.229 873 L C 2.145 179.095 176.870 0.134 0.000 1.137 873 L CA 0.234 55.278 54.840 0.340 0.000 0.901 873 L CB -0.033 42.286 42.059 0.432 0.000 1.098 873 L HN 0.172 nan 8.230 nan 0.000 0.456 874 S N -0.311 115.450 115.700 0.102 0.000 2.380 874 S HA -0.297 4.173 4.470 -0.000 0.000 0.229 874 S C 1.905 176.430 174.600 -0.125 0.000 1.043 874 S CA 1.836 60.003 58.200 -0.056 0.000 1.038 874 S CB -0.292 62.986 63.200 0.130 0.000 0.872 874 S HN 0.565 nan 8.310 nan 0.000 0.456 875 H N 1.190 120.180 119.070 -0.133 0.000 2.321 875 H HA 0.016 4.572 4.556 -0.000 0.000 0.300 875 H C 2.277 177.556 175.328 -0.081 0.000 1.087 875 H CA 1.887 57.849 56.048 -0.143 0.000 1.319 875 H CB -0.333 29.313 29.762 -0.193 0.000 1.379 875 H HN 0.254 nan 8.280 nan 0.000 0.501 876 S N -0.353 115.415 115.700 0.113 0.000 2.399 876 S HA -0.102 4.368 4.470 -0.000 0.000 0.231 876 S C 2.259 176.909 174.600 0.083 0.000 1.022 876 S CA 1.218 59.553 58.200 0.225 0.000 0.983 876 S CB -0.169 63.361 63.200 0.549 0.000 0.803 876 S HN 0.370 nan 8.310 nan 0.000 0.480 877 I N 0.770 121.131 120.570 -0.347 0.000 2.286 877 I HA -0.190 3.979 4.170 -0.000 0.000 0.248 877 I C 2.422 178.369 176.117 -0.284 0.000 1.115 877 I CA 1.071 61.965 61.300 -0.676 0.000 1.392 877 I CB -0.211 37.255 38.000 -0.889 0.000 1.065 877 I HN 0.300 nan 8.210 nan 0.000 0.418 878 M N 0.806 120.246 119.600 -0.266 0.000 2.229 878 M HA -0.155 4.325 4.480 -0.000 0.000 0.264 878 M C 1.955 178.096 176.300 -0.266 0.000 1.063 878 M CA 1.781 56.955 55.300 -0.211 0.000 1.114 878 M CB -0.399 32.017 32.600 -0.307 0.000 1.387 878 M HN 0.085 nan 8.290 nan 0.000 0.420 879 E N -0.559 119.456 120.200 -0.309 0.000 2.031 879 E HA -0.252 4.097 4.350 -0.000 0.000 0.193 879 E C 2.183 178.593 176.600 -0.316 0.000 0.994 879 E CA 1.468 57.666 56.400 -0.337 0.000 0.800 879 E CB -0.289 29.311 29.700 -0.168 0.000 0.752 879 E HN 0.506 nan 8.360 nan 0.000 0.447 880 R N 0.595 121.123 120.500 0.046 0.000 2.120 880 R HA -0.145 4.195 4.340 -0.000 0.000 0.234 880 R C 2.168 178.586 176.300 0.197 0.000 1.123 880 R CA 1.218 57.497 56.100 0.298 0.000 0.975 880 R CB -0.161 30.346 30.300 0.345 0.000 0.866 880 R HN 0.147 nan 8.270 nan 0.000 0.446 881 A N 1.217 124.030 122.820 -0.012 0.000 1.865 881 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 881 A C 2.179 179.730 177.584 -0.055 0.000 1.191 881 A CA 1.419 53.406 52.037 -0.083 0.000 0.623 881 A CB -0.696 18.212 19.000 -0.154 0.000 0.826 881 A HN 0.356 nan 8.150 nan 0.000 0.444 882 L N -1.718 119.409 121.223 -0.160 0.000 2.127 882 L HA -0.178 4.162 4.340 -0.000 0.000 0.211 882 L C 2.399 179.383 176.870 0.190 0.000 1.089 882 L CA 1.252 56.046 54.840 -0.077 0.000 0.757 882 L CB -0.611 41.374 42.059 -0.123 0.000 0.899 882 L HN 0.447 nan 8.230 nan 0.000 0.434 883 F N -1.036 118.969 119.950 0.092 0.000 2.546 883 F HA -0.158 4.369 4.527 -0.000 0.000 0.298 883 F C 1.531 177.316 175.800 -0.025 0.000 1.120 883 F CA 0.380 58.301 58.000 -0.131 0.000 1.456 883 F CB -0.049 38.790 39.000 -0.268 0.000 1.088 883 F HN 0.242 nan 8.300 nan 0.000 0.572 884 H N -1.113 118.143 119.070 0.311 0.000 2.785 884 H HA 0.132 4.688 4.556 -0.000 0.000 0.268 884 H C 1.681 177.077 175.328 0.114 0.000 1.153 884 H CA -0.083 56.085 56.048 0.199 0.000 1.111 884 H CB -0.092 29.689 29.762 0.032 0.000 1.633 884 H HN 0.227 nan 8.280 nan 0.000 0.576 885 M N -0.205 119.512 119.600 0.196 0.000 2.632 885 M HA -0.014 4.466 4.480 -0.000 0.000 0.256 885 M C 0.555 176.918 176.300 0.106 0.000 1.080 885 M CA 1.345 56.740 55.300 0.158 0.000 1.084 885 M CB 0.188 32.916 32.600 0.214 0.000 1.439 885 M HN 0.083 nan 8.290 nan 0.000 0.509 886 D N -0.927 119.481 120.400 0.013 0.000 2.392 886 D HA 0.008 4.648 4.640 -0.000 0.000 0.206 886 D C 0.775 177.127 176.300 0.087 0.000 1.046 886 D CA 0.202 54.235 54.000 0.055 0.000 0.865 886 D CB -0.362 40.433 40.800 -0.008 0.000 0.969 886 D HN 0.462 nan 8.370 nan 0.000 0.509 887 N N 0.272 119.013 118.700 0.069 0.000 1.347 887 N HA -0.293 4.447 4.740 -0.000 0.000 0.141 887 N C -0.248 175.241 175.510 -0.035 0.000 0.677 887 N CA 2.618 55.657 53.050 -0.018 0.000 1.016 887 N CB -1.307 37.088 38.487 -0.153 0.000 1.268 887 N HN 0.347 nan 8.380 nan 0.000 0.487 888 C N 0.060 119.092 119.300 -0.447 0.000 2.647 888 C HA 0.458 4.918 4.460 -0.000 0.000 0.296 888 C C -0.755 173.847 174.990 -0.646 0.000 1.403 888 C CA -0.524 58.334 59.018 -0.267 0.000 1.781 888 C CB -2.077 25.535 27.740 -0.213 0.000 2.464 888 C HN 0.336 nan 8.230 nan 0.000 0.559 889 Y N 0.325 120.426 120.300 -0.331 0.000 2.393 889 Y HA 0.474 5.024 4.550 -0.000 0.000 0.341 889 Y C 0.205 175.475 175.900 -1.051 0.000 0.988 889 Y CA -1.060 56.683 58.100 -0.594 0.000 1.078 889 Y CB 0.977 39.291 38.460 -0.242 0.000 1.203 889 Y HN -0.147 nan 8.280 nan 0.000 0.453 890 K N 3.650 123.518 120.400 -0.886 0.000 2.312 890 K HA 0.480 4.799 4.320 -0.000 0.000 0.287 890 K C -1.426 175.008 176.600 -0.275 0.000 1.062 890 K CA 0.209 56.089 56.287 -0.680 0.000 0.934 890 K CB 0.074 32.325 32.500 -0.414 0.000 1.027 890 K HN 0.672 nan 8.250 nan 0.000 0.478 891 I N 8.110 128.580 120.570 -0.166 0.000 2.476 891 I HA 0.219 4.389 4.170 -0.000 0.000 0.281 891 I C -1.768 174.305 176.117 -0.072 0.000 1.040 891 I CA -2.234 58.999 61.300 -0.112 0.000 1.094 891 I CB 1.897 39.839 38.000 -0.096 0.000 1.219 891 I HN 0.589 nan 8.210 nan 0.000 0.450 892 P HA -0.131 nan 4.420 nan 0.000 0.215 892 P C -0.258 177.015 177.300 -0.045 0.000 1.163 892 P CA 1.499 64.562 63.100 -0.060 0.000 0.894 892 P CB 0.154 31.808 31.700 -0.077 0.000 0.791 893 N N -0.043 118.609 118.700 -0.081 0.000 2.479 893 N HA 0.408 5.148 4.740 -0.000 0.000 0.261 893 N C -0.719 174.752 175.510 -0.064 0.000 0.979 893 N CA -0.285 52.728 53.050 -0.061 0.000 0.930 893 N CB 1.980 40.409 38.487 -0.098 0.000 1.172 893 N HN 0.069 nan 8.380 nan 0.000 0.499 894 I N 0.739 121.318 120.570 0.015 0.000 2.802 894 I HA 0.448 4.618 4.170 -0.000 0.000 0.298 894 I C -1.337 174.845 176.117 0.109 0.000 1.176 894 I CA -0.801 60.523 61.300 0.041 0.000 1.025 894 I CB 2.577 40.603 38.000 0.044 0.000 1.243 894 I HN 0.331 nan 8.210 nan 0.000 0.424 895 R N 4.822 125.396 120.500 0.123 0.000 2.531 895 R HA 0.571 4.911 4.340 -0.000 0.000 0.293 895 R C -1.392 175.003 176.300 0.159 0.000 1.124 895 R CA -0.541 55.646 56.100 0.146 0.000 0.945 895 R CB 1.811 32.190 30.300 0.131 0.000 1.195 895 R HN 0.822 nan 8.270 nan 0.000 0.433 896 G N 1.926 110.841 108.800 0.192 0.000 2.470 896 G HA2 0.480 4.440 3.960 -0.000 0.000 0.320 896 G HA3 0.480 4.440 3.960 -0.000 0.000 0.320 896 G C -0.560 174.443 174.900 0.171 0.000 1.245 896 G CA -0.397 44.839 45.100 0.227 0.000 0.935 896 G HN 0.515 nan 8.290 nan 0.000 0.476 897 T N -0.867 113.780 114.554 0.155 0.000 2.924 897 T HA 0.853 5.203 4.350 -0.000 0.000 0.291 897 T C 0.017 174.715 174.700 -0.002 0.000 1.045 897 T CA -0.618 61.502 62.100 0.034 0.000 1.015 897 T CB 2.380 71.229 68.868 -0.032 0.000 1.103 897 T HN 1.156 nan 8.240 nan 0.000 0.496 898 G N 0.490 109.202 108.800 -0.147 0.000 2.682 898 G HA2 0.640 4.600 3.960 -0.000 0.000 0.300 898 G HA3 0.640 4.600 3.960 -0.000 0.000 0.300 898 G C -1.629 173.084 174.900 -0.311 0.000 1.391 898 G CA -0.958 44.008 45.100 -0.223 0.000 0.990 898 G HN 0.726 nan 8.290 nan 0.000 0.501 899 R N 0.409 120.686 120.500 -0.372 0.000 2.673 899 R HA 0.622 4.961 4.340 -0.000 0.000 0.281 899 R C -1.045 175.174 176.300 -0.135 0.000 0.991 899 R CA -0.853 55.041 56.100 -0.343 0.000 0.896 899 R CB 1.620 31.570 30.300 -0.583 0.000 1.201 899 R HN 0.426 nan 8.270 nan 0.000 0.457 900 L N 3.253 124.480 121.223 0.007 0.000 2.265 900 L HA 0.499 4.839 4.340 -0.000 0.000 0.289 900 L C -0.468 176.589 176.870 0.312 0.000 1.033 900 L CA -0.962 53.972 54.840 0.157 0.000 0.814 900 L CB 1.594 43.789 42.059 0.227 0.000 1.203 900 L HN 0.531 nan 8.230 nan 0.000 0.423 901 C N 3.038 122.495 119.300 0.261 0.000 2.482 901 C HA 0.164 4.624 4.460 -0.000 0.000 0.378 901 C C 0.799 175.735 174.990 -0.089 0.000 1.284 901 C CA -0.728 58.378 59.018 0.147 0.000 1.826 901 C CB 0.077 27.885 27.740 0.115 0.000 2.473 901 C HN 0.674 nan 8.230 nan 0.000 0.562 902 K N 3.364 123.520 120.400 -0.406 0.000 2.284 902 K HA 0.416 4.735 4.320 -0.000 0.000 0.287 902 K C 0.247 176.656 176.600 -0.317 0.000 1.081 902 K CA 0.199 56.083 56.287 -0.672 0.000 0.910 902 K CB 0.423 32.278 32.500 -1.075 0.000 1.088 902 K HN 0.920 nan 8.250 nan 0.000 0.478 903 T N 0.417 114.872 114.554 -0.164 0.000 2.901 903 T HA 0.288 4.638 4.350 -0.000 0.000 0.293 903 T C -0.186 174.446 174.700 -0.113 0.000 1.084 903 T CA -1.085 60.934 62.100 -0.136 0.000 1.008 903 T CB 1.029 69.833 68.868 -0.107 0.000 1.170 903 T HN 0.525 nan 8.240 nan 0.000 0.509 904 N N 0.724 119.349 118.700 -0.125 0.000 3.303 904 N HA 0.475 5.215 4.740 -0.000 0.000 0.304 904 N C -0.840 174.631 175.510 -0.065 0.000 1.302 904 N CA -0.166 52.816 53.050 -0.113 0.000 1.213 904 N CB -0.324 38.093 38.487 -0.118 0.000 1.481 904 N HN 0.383 nan 8.380 nan 0.000 0.546 905 L N -0.690 120.498 121.223 -0.058 0.000 2.359 905 L HA 0.464 4.804 4.340 -0.000 0.000 0.256 905 L C 0.056 176.920 176.870 -0.010 0.000 1.026 905 L CA -1.130 53.689 54.840 -0.036 0.000 0.828 905 L CB 1.796 43.796 42.059 -0.097 0.000 1.406 905 L HN 0.062 nan 8.230 nan 0.000 0.413 906 S N 0.558 116.276 115.700 0.031 0.000 2.552 906 S HA -0.012 4.458 4.470 -0.000 0.000 0.289 906 S C 0.193 174.806 174.600 0.023 0.000 1.304 906 S CA -0.086 58.138 58.200 0.039 0.000 1.063 906 S CB 0.815 64.065 63.200 0.082 0.000 0.848 906 S HN 0.549 nan 8.310 nan 0.000 0.499 907 S N 3.366 119.080 115.700 0.024 0.000 2.515 907 S HA 0.042 4.511 4.470 -0.000 0.000 0.285 907 S C 0.249 174.859 174.600 0.017 0.000 1.265 907 S CA -0.597 57.620 58.200 0.028 0.000 1.079 907 S CB -0.304 62.923 63.200 0.045 0.000 0.877 907 S HN 0.605 nan 8.310 nan 0.000 0.493 908 N N 2.991 121.634 118.700 -0.095 0.000 2.483 908 N HA 0.353 5.092 4.740 -0.000 0.000 0.269 908 N C 0.301 175.799 175.510 -0.020 0.000 1.209 908 N CA -0.080 52.843 53.050 -0.212 0.000 0.969 908 N CB 1.552 39.614 38.487 -0.708 0.000 1.173 908 N HN 0.706 nan 8.380 nan 0.000 0.475 909 T N -1.245 113.426 114.554 0.195 0.000 2.565 909 T HA 0.649 4.999 4.350 -0.000 0.000 0.266 909 T C -1.113 173.869 174.700 0.470 0.000 0.905 909 T CA -0.475 61.852 62.100 0.378 0.000 1.122 909 T CB 0.336 69.394 68.868 0.317 0.000 1.437 909 T HN 0.460 nan 8.240 nan 0.000 0.506 910 A N 0.922 124.028 122.820 0.477 0.000 2.425 910 A HA 0.628 4.948 4.320 -0.000 0.000 0.249 910 A C -0.803 177.174 177.584 0.654 0.000 1.084 910 A CA -0.139 52.244 52.037 0.577 0.000 0.781 910 A CB -0.594 18.823 19.000 0.696 0.000 1.019 910 A HN 0.723 nan 8.150 nan 0.000 0.490 911 F N 1.737 121.953 119.950 0.442 0.000 2.630 911 F HA 0.393 4.920 4.527 -0.000 0.000 0.325 911 F C 0.434 176.402 175.800 0.281 0.000 1.184 911 F CA -1.031 57.191 58.000 0.370 0.000 1.011 911 F CB 1.146 40.225 39.000 0.132 0.000 1.268 911 F HN 0.781 nan 8.300 nan 0.000 0.480 912 R N 4.072 125.035 120.500 0.772 0.000 4.326 912 R HA -0.029 4.311 4.340 -0.000 0.000 0.141 912 R C 0.852 177.338 176.300 0.310 0.000 0.356 912 R CA 2.025 58.414 56.100 0.482 0.000 0.851 912 R CB -0.692 29.904 30.300 0.493 0.000 1.039 912 R HN 1.130 nan 8.270 nan 0.000 0.246 913 G N 3.387 112.349 108.800 0.268 0.000 2.905 913 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.196 913 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.196 913 G C 0.188 175.340 174.900 0.420 0.000 1.044 913 G CA -0.160 45.084 45.100 0.240 0.000 0.778 913 G HN 0.696 nan 8.290 nan 0.000 0.474 914 F N 1.119 121.187 119.950 0.195 0.000 2.943 914 F HA 0.047 4.574 4.527 -0.000 0.000 0.258 914 F C 1.795 177.638 175.800 0.071 0.000 0.995 914 F CA 2.641 60.741 58.000 0.167 0.000 0.896 914 F CB -0.952 38.156 39.000 0.180 0.000 0.821 914 F HN 1.999 nan 8.300 nan 0.000 0.828 915 G N -0.599 108.172 108.800 -0.049 0.000 2.284 915 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.230 915 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.230 915 G C 1.495 176.278 174.900 -0.195 0.000 1.021 915 G CA 0.657 45.646 45.100 -0.185 0.000 0.619 915 G HN 1.495 nan 8.290 nan 0.000 0.510 916 G N 1.771 110.520 108.800 -0.084 0.000 2.433 916 G HA2 0.074 4.034 3.960 -0.000 0.000 0.216 916 G HA3 0.074 4.034 3.960 -0.000 0.000 0.216 916 G C 0.109 174.938 174.900 -0.117 0.000 1.186 916 G CA 1.994 46.995 45.100 -0.164 0.000 0.779 916 G HN 0.541 nan 8.290 nan 0.000 0.543 917 P HA -0.138 nan 4.420 nan 0.000 0.215 917 P C 1.830 179.153 177.300 0.038 0.000 1.157 917 P CA 1.546 64.701 63.100 0.092 0.000 0.874 917 P CB -0.026 31.708 31.700 0.057 0.000 0.790 918 Q N -0.653 119.036 119.800 -0.186 0.000 2.020 918 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 918 Q C 2.320 178.225 176.000 -0.159 0.000 0.982 918 Q CA 2.097 57.724 55.803 -0.293 0.000 0.838 918 Q CB -1.357 26.766 28.738 -1.026 0.000 0.899 918 Q HN 0.163 nan 8.270 nan 0.000 0.423 919 A N 0.386 123.075 122.820 -0.218 0.000 1.902 919 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 919 A C 2.092 179.636 177.584 -0.066 0.000 1.181 919 A CA 1.272 53.293 52.037 -0.026 0.000 0.623 919 A CB -0.775 18.216 19.000 -0.015 0.000 0.818 919 A HN 0.334 nan 8.150 nan 0.000 0.443 920 L N -2.108 118.958 121.223 -0.260 0.000 2.083 920 L HA -0.143 4.197 4.340 -0.000 0.000 0.209 920 L C 2.467 179.055 176.870 -0.470 0.000 1.083 920 L CA 1.457 55.917 54.840 -0.633 0.000 0.752 920 L CB -0.527 40.631 42.059 -1.501 0.000 0.899 920 L HN 0.504 nan 8.230 nan 0.000 0.433 921 F N 0.927 120.735 119.950 -0.236 0.000 2.113 921 F HA -0.192 4.335 4.527 -0.000 0.000 0.297 921 F C 2.252 178.030 175.800 -0.037 0.000 1.103 921 F CA 1.390 59.451 58.000 0.101 0.000 1.248 921 F CB -0.205 38.863 39.000 0.113 0.000 0.999 921 F HN -0.119 nan 8.300 nan 0.000 0.475 922 I N 0.258 120.755 120.570 -0.121 0.000 2.226 922 I HA -0.317 3.853 4.170 -0.000 0.000 0.245 922 I C 2.679 178.521 176.117 -0.459 0.000 1.100 922 I CA 1.184 62.333 61.300 -0.251 0.000 1.374 922 I CB -0.968 37.030 38.000 -0.002 0.000 1.057 922 I HN 0.253 nan 8.210 nan 0.000 0.413 923 A N 0.446 123.016 122.820 -0.417 0.000 1.858 923 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 923 A C 2.224 179.020 177.584 -1.313 0.000 1.190 923 A CA 1.516 53.051 52.037 -0.835 0.000 0.617 923 A CB -0.471 18.325 19.000 -0.339 0.000 0.827 923 A HN 0.313 nan 8.150 nan 0.000 0.443 924 E N -0.088 119.697 120.200 -0.691 0.000 2.265 924 E HA -0.182 4.168 4.350 -0.000 0.000 0.196 924 E C 1.732 177.803 176.600 -0.882 0.000 0.996 924 E CA 1.198 57.168 56.400 -0.716 0.000 0.832 924 E CB -0.489 28.956 29.700 -0.426 0.000 0.756 924 E HN 0.727 nan 8.360 nan 0.000 0.491 925 N N 1.113 119.400 118.700 -0.689 0.000 2.062 925 N HA -0.156 4.584 4.740 -0.000 0.000 0.191 925 N C 1.897 177.163 175.510 -0.406 0.000 1.042 925 N CA 1.941 54.722 53.050 -0.448 0.000 0.845 925 N CB -0.380 37.797 38.487 -0.517 0.000 1.024 925 N HN 0.380 nan 8.380 nan 0.000 0.424 926 W N -0.725 120.307 121.300 -0.447 0.000 2.465 926 W HA -0.018 4.641 4.660 -0.000 0.000 0.268 926 W C 1.573 177.906 176.519 -0.311 0.000 1.242 926 W CA 0.097 57.231 57.345 -0.353 0.000 1.248 926 W CB -0.709 28.531 29.460 -0.367 0.000 1.118 926 W HN 0.161 nan 8.180 nan 0.000 0.587 927 M N 3.301 122.593 119.600 -0.512 0.000 2.175 927 M HA -0.158 4.321 4.480 -0.000 0.000 0.264 927 M C 2.541 178.629 176.300 -0.353 0.000 1.063 927 M CA 2.686 57.700 55.300 -0.477 0.000 1.119 927 M CB -0.854 31.202 32.600 -0.907 0.000 1.377 927 M HN 0.051 nan 8.290 nan 0.000 0.415 928 S N -0.616 114.849 115.700 -0.392 0.000 2.383 928 S HA -0.133 4.336 4.470 -0.000 0.000 0.227 928 S C 1.725 176.234 174.600 -0.152 0.000 1.026 928 S CA 1.393 59.429 58.200 -0.274 0.000 0.981 928 S CB -0.851 62.182 63.200 -0.277 0.000 0.818 928 S HN 0.694 nan 8.310 nan 0.000 0.472 929 E N 0.797 120.929 120.200 -0.113 0.000 2.152 929 E HA -0.021 4.329 4.350 -0.000 0.000 0.192 929 E C 2.084 178.619 176.600 -0.107 0.000 0.983 929 E CA 0.974 57.347 56.400 -0.046 0.000 0.818 929 E CB -0.296 29.439 29.700 0.058 0.000 0.758 929 E HN 0.406 nan 8.360 nan 0.000 0.467 930 V N 1.560 121.326 119.914 -0.246 0.000 2.307 930 V HA -0.267 3.853 4.120 -0.000 0.000 0.245 930 V C 2.373 178.271 176.094 -0.328 0.000 1.045 930 V CA 1.893 63.839 62.300 -0.590 0.000 1.024 930 V CB -0.657 30.744 31.823 -0.705 0.000 0.651 930 V HN 0.309 nan 8.190 nan 0.000 0.449 931 A N -0.247 122.454 122.820 -0.199 0.000 1.877 931 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 931 A C 2.401 179.969 177.584 -0.027 0.000 1.186 931 A CA 2.200 54.182 52.037 -0.091 0.000 0.620 931 A CB -0.769 18.190 19.000 -0.069 0.000 0.822 931 A HN 0.321 nan 8.150 nan 0.000 0.443 932 V N -0.248 119.652 119.914 -0.023 0.000 2.287 932 V HA -0.250 3.870 4.120 -0.000 0.000 0.248 932 V C 2.770 178.898 176.094 0.055 0.000 1.053 932 V CA 2.552 64.866 62.300 0.023 0.000 1.027 932 V CB -1.309 30.526 31.823 0.019 0.000 0.646 932 V HN 0.622 nan 8.190 nan 0.000 0.447 933 T N -1.150 113.447 114.554 0.070 0.000 2.720 933 T HA -0.233 4.117 4.350 -0.000 0.000 0.268 933 T C 1.821 176.623 174.700 0.170 0.000 1.037 933 T CA 1.987 64.179 62.100 0.154 0.000 1.144 933 T CB -0.490 68.556 68.868 0.296 0.000 0.864 933 T HN 0.552 nan 8.240 nan 0.000 0.444 934 C N 0.704 120.100 119.300 0.161 0.000 2.481 934 C HA 0.393 4.853 4.460 -0.000 0.000 0.275 934 C C 2.102 177.150 174.990 0.095 0.000 1.419 934 C CA -0.175 58.936 59.018 0.155 0.000 1.773 934 C CB -1.410 26.418 27.740 0.146 0.000 1.862 934 C HN 0.832 nan 8.230 nan 0.000 0.530 935 G N 0.768 109.614 108.800 0.076 0.000 2.225 935 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.264 935 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.264 935 G C -0.298 174.639 174.900 0.061 0.000 1.060 935 G CA 0.060 45.199 45.100 0.064 0.000 0.833 935 G HN 0.532 nan 8.290 nan 0.000 0.498 936 L N -0.808 120.450 121.223 0.059 0.000 2.323 936 L HA 0.554 4.894 4.340 -0.000 0.000 0.265 936 L C -2.090 174.824 176.870 0.073 0.000 1.012 936 L CA -2.695 52.184 54.840 0.065 0.000 0.820 936 L CB 2.018 44.116 42.059 0.064 0.000 1.334 936 L HN -0.158 nan 8.230 nan 0.000 0.427 937 P HA 0.022 nan 4.420 nan 0.000 0.263 937 P C 0.148 177.525 177.300 0.127 0.000 1.195 937 P CA 0.086 63.266 63.100 0.134 0.000 0.762 937 P CB 1.033 32.842 31.700 0.181 0.000 0.799 938 A N 5.229 128.118 122.820 0.114 0.000 1.892 938 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 938 A C 1.966 179.632 177.584 0.135 0.000 1.188 938 A CA 1.868 53.953 52.037 0.079 0.000 0.631 938 A CB -0.953 18.082 19.000 0.059 0.000 0.822 938 A HN 0.661 nan 8.150 nan 0.000 0.447 939 E N 0.289 120.609 120.200 0.199 0.000 2.204 939 E HA -0.263 4.087 4.350 -0.000 0.000 0.195 939 E C 1.737 178.563 176.600 0.377 0.000 0.990 939 E CA 1.591 58.181 56.400 0.317 0.000 0.821 939 E CB -0.556 29.182 29.700 0.064 0.000 0.750 939 E HN 0.808 nan 8.360 nan 0.000 0.477 940 E N 0.736 121.095 120.200 0.264 0.000 2.072 940 E HA -0.105 4.245 4.350 -0.000 0.000 0.190 940 E C 2.240 178.954 176.600 0.190 0.000 0.982 940 E CA 1.164 57.711 56.400 0.245 0.000 0.803 940 E CB 0.240 30.051 29.700 0.183 0.000 0.755 940 E HN 0.170 nan 8.360 nan 0.000 0.453 941 V N 1.187 121.160 119.914 0.099 0.000 2.307 941 V HA -0.242 3.878 4.120 -0.000 0.000 0.245 941 V C 2.410 178.460 176.094 -0.073 0.000 1.045 941 V CA 1.919 64.216 62.300 -0.004 0.000 1.024 941 V CB -0.524 31.257 31.823 -0.071 0.000 0.651 941 V HN 0.238 nan 8.190 nan 0.000 0.449 942 R N -0.895 119.573 120.500 -0.054 0.000 2.073 942 R HA -0.207 4.133 4.340 -0.000 0.000 0.234 942 R C 2.270 178.520 176.300 -0.083 0.000 1.134 942 R CA 1.985 58.013 56.100 -0.120 0.000 0.952 942 R CB -0.495 29.830 30.300 0.041 0.000 0.850 942 R HN 0.728 nan 8.270 nan 0.000 0.433 943 W N 3.654 124.806 121.300 -0.247 0.000 2.335 943 W HA -0.259 4.401 4.660 -0.000 0.000 0.311 943 W C 1.501 177.921 176.519 -0.165 0.000 1.213 943 W CA 1.958 59.105 57.345 -0.331 0.000 1.274 943 W CB -0.038 29.326 29.460 -0.161 0.000 1.148 943 W HN 0.080 nan 8.180 nan 0.000 0.498 944 K N -0.267 120.057 120.400 -0.127 0.000 2.283 944 K HA -0.112 4.208 4.320 -0.000 0.000 0.202 944 K C 1.270 177.731 176.600 -0.232 0.000 1.048 944 K CA 1.460 57.630 56.287 -0.195 0.000 0.948 944 K CB -0.616 31.878 32.500 -0.009 0.000 0.742 944 K HN 0.015 nan 8.250 nan 0.000 0.458 945 N N 0.519 119.098 118.700 -0.200 0.000 2.280 945 N HA 0.063 4.803 4.740 -0.000 0.000 0.192 945 N C -0.012 175.430 175.510 -0.113 0.000 1.109 945 N CA 0.042 52.992 53.050 -0.166 0.000 0.855 945 N CB 0.266 38.623 38.487 -0.217 0.000 0.974 945 N HN 0.291 nan 8.380 nan 0.000 0.482 946 M N 0.941 120.425 119.600 -0.194 0.000 2.239 946 M HA 0.037 4.517 4.480 -0.000 0.000 0.348 946 M C -0.224 175.897 176.300 -0.298 0.000 1.239 946 M CA -0.168 54.991 55.300 -0.236 0.000 1.114 946 M CB 0.551 32.895 32.600 -0.427 0.000 1.641 946 M HN 0.019 nan 8.290 nan 0.000 0.453 947 Y N 3.764 123.882 120.300 -0.303 0.000 2.469 947 Y HA 0.012 4.562 4.550 -0.000 0.000 0.353 947 Y C 0.382 175.948 175.900 -0.556 0.000 1.269 947 Y CA 0.433 58.213 58.100 -0.533 0.000 1.504 947 Y CB 0.487 38.373 38.460 -0.957 0.000 1.369 947 Y HN 0.476 nan 8.280 nan 0.000 0.654 948 K N 0.074 120.266 120.400 -0.347 0.000 2.443 948 K HA 0.427 4.747 4.320 -0.000 0.000 0.251 948 K C -1.324 175.098 176.600 -0.298 0.000 0.972 948 K CA -1.266 54.871 56.287 -0.251 0.000 0.833 948 K CB 1.673 34.075 32.500 -0.164 0.000 1.317 948 K HN 0.376 nan 8.250 nan 0.000 0.441 949 E N 0.529 120.655 120.200 -0.123 0.000 2.608 949 E HA 0.086 4.436 4.350 -0.000 0.000 0.259 949 E C 0.937 177.457 176.600 -0.133 0.000 0.951 949 E CA 2.434 58.780 56.400 -0.090 0.000 0.945 949 E CB -0.137 29.561 29.700 -0.005 0.000 0.916 949 E HN 0.823 nan 8.360 nan 0.000 0.477 950 G N 4.044 112.751 108.800 -0.155 0.000 2.268 950 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.240 950 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.240 950 G C 0.068 174.855 174.900 -0.188 0.000 1.010 950 G CA 0.049 45.065 45.100 -0.139 0.000 0.618 950 G HN 0.649 nan 8.290 nan 0.000 0.516 951 D N 0.679 120.927 120.400 -0.252 0.000 2.390 951 D HA 0.434 5.073 4.640 -0.000 0.000 0.236 951 D C 1.038 177.140 176.300 -0.331 0.000 1.189 951 D CA 0.364 54.217 54.000 -0.245 0.000 0.887 951 D CB 0.506 41.189 40.800 -0.194 0.000 1.198 951 D HN 0.393 nan 8.370 nan 0.000 0.444 952 L N 0.787 121.859 121.223 -0.252 0.000 2.325 952 L HA 0.318 4.658 4.340 -0.000 0.000 0.278 952 L C 1.184 177.853 176.870 -0.335 0.000 1.023 952 L CA -0.824 53.835 54.840 -0.303 0.000 0.811 952 L CB 1.666 43.613 42.059 -0.186 0.000 1.249 952 L HN 0.438 nan 8.230 nan 0.000 0.431 953 T N -3.162 111.051 114.554 -0.569 0.000 2.729 953 T HA 0.046 4.395 4.350 -0.000 0.000 0.298 953 T C 1.356 175.913 174.700 -0.238 0.000 1.013 953 T CA -0.257 61.538 62.100 -0.508 0.000 0.957 953 T CB 0.386 68.545 68.868 -1.182 0.000 1.130 953 T HN 0.735 nan 8.240 nan 0.000 0.526 954 H N 0.053 119.060 119.070 -0.105 0.000 2.521 954 H HA 0.004 4.560 4.556 -0.000 0.000 0.286 954 H C 1.125 176.523 175.328 0.116 0.000 1.034 954 H CA 0.828 56.913 56.048 0.062 0.000 1.278 954 H CB -0.852 29.019 29.762 0.182 0.000 1.386 954 H HN 0.761 nan 8.280 nan 0.000 0.567 955 F N 0.265 119.998 119.950 -0.361 0.000 2.668 955 F HA 0.421 4.948 4.527 -0.000 0.000 0.297 955 F C 0.071 175.837 175.800 -0.057 0.000 1.124 955 F CA -1.050 56.821 58.000 -0.215 0.000 1.353 955 F CB -0.185 38.524 39.000 -0.486 0.000 0.992 955 F HN -0.168 nan 8.300 nan 0.000 0.524 956 N N 1.150 119.710 118.700 -0.233 0.000 2.708 956 N HA -0.274 4.466 4.740 -0.000 0.000 0.251 956 N C -0.109 175.276 175.510 -0.208 0.000 1.123 956 N CA 1.053 54.000 53.050 -0.171 0.000 0.739 956 N CB -1.060 37.414 38.487 -0.021 0.000 1.113 956 N HN 0.758 nan 8.380 nan 0.000 0.561 957 Q N 0.433 119.977 119.800 -0.426 0.000 2.243 957 Q HA 0.291 4.631 4.340 -0.000 0.000 0.252 957 Q C 0.212 176.052 176.000 -0.266 0.000 0.909 957 Q CA -0.598 55.073 55.803 -0.220 0.000 0.922 957 Q CB 1.203 29.924 28.738 -0.028 0.000 1.215 957 Q HN 0.194 nan 8.270 nan 0.000 0.427 958 R N 4.030 124.447 120.500 -0.139 0.000 2.438 958 R HA 0.193 4.533 4.340 -0.000 0.000 0.287 958 R C -0.893 175.314 176.300 -0.155 0.000 1.077 958 R CA -0.200 55.802 56.100 -0.164 0.000 1.034 958 R CB 0.361 30.607 30.300 -0.090 0.000 0.993 958 R HN 0.638 nan 8.270 nan 0.000 0.459 959 L N 5.252 126.306 121.223 -0.282 0.000 2.282 959 L HA 0.260 4.600 4.340 -0.000 0.000 0.287 959 L C -0.090 176.734 176.870 -0.076 0.000 1.075 959 L CA 0.000 54.684 54.840 -0.260 0.000 0.839 959 L CB 0.869 42.567 42.059 -0.602 0.000 1.219 959 L HN 0.556 nan 8.230 nan 0.000 0.434 960 E N 2.216 122.452 120.200 0.060 0.000 2.191 960 E HA 0.423 4.773 4.350 -0.000 0.000 0.278 960 E C 0.637 177.329 176.600 0.153 0.000 0.972 960 E CA -0.424 56.023 56.400 0.077 0.000 0.804 960 E CB 1.755 31.492 29.700 0.063 0.000 1.110 960 E HN 0.712 nan 8.360 nan 0.000 0.394 961 G N 2.977 111.846 108.800 0.115 0.000 2.272 961 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.280 961 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.280 961 G C -0.360 174.628 174.900 0.147 0.000 1.067 961 G CA -0.213 44.961 45.100 0.123 0.000 0.902 961 G HN 0.482 nan 8.290 nan 0.000 0.500 962 F N 2.422 122.298 119.950 -0.124 0.000 2.490 962 F HA 0.443 4.970 4.527 -0.000 0.000 0.357 962 F C 1.527 177.074 175.800 -0.422 0.000 1.166 962 F CA -0.213 57.534 58.000 -0.422 0.000 1.116 962 F CB 0.569 39.360 39.000 -0.349 0.000 1.171 962 F HN 0.267 nan 8.300 nan 0.000 0.576 963 S N 2.572 117.760 115.700 -0.853 0.000 2.575 963 S HA -0.006 4.464 4.470 -0.000 0.000 0.215 963 S C 1.750 176.019 174.600 -0.552 0.000 0.966 963 S CA 0.380 58.291 58.200 -0.483 0.000 0.911 963 S CB -0.413 62.690 63.200 -0.162 0.000 0.780 963 S HN 0.407 nan 8.310 nan 0.000 0.514 964 V N 3.155 122.410 119.914 -1.098 0.000 2.278 964 V HA -0.148 3.972 4.120 -0.000 0.000 0.251 964 V C -0.320 175.660 176.094 -0.191 0.000 1.062 964 V CA 2.241 64.156 62.300 -0.642 0.000 1.038 964 V CB -1.856 29.414 31.823 -0.920 0.000 0.646 964 V HN 0.388 nan 8.190 nan 0.000 0.447 965 P HA -0.163 nan 4.420 nan 0.000 0.216 965 P C 1.783 179.222 177.300 0.232 0.000 1.153 965 P CA 1.562 64.783 63.100 0.203 0.000 0.858 965 P CB -0.106 31.708 31.700 0.190 0.000 0.789 966 R N -1.147 119.404 120.500 0.085 0.000 2.066 966 R HA -0.092 4.248 4.340 -0.000 0.000 0.232 966 R C 2.317 178.673 176.300 0.095 0.000 1.131 966 R CA 1.710 57.858 56.100 0.080 0.000 0.955 966 R CB -1.273 29.044 30.300 0.029 0.000 0.851 966 R HN 0.240 nan 8.270 nan 0.000 0.432 967 C N -0.339 119.010 119.300 0.081 0.000 2.413 967 C HA -0.141 4.318 4.460 -0.000 0.000 0.277 967 C C 2.355 177.434 174.990 0.149 0.000 1.265 967 C CA 0.045 59.121 59.018 0.096 0.000 1.752 967 C CB -1.110 26.687 27.740 0.096 0.000 1.998 967 C HN 0.658 nan 8.230 nan 0.000 0.489 968 W N 2.158 123.463 121.300 0.009 0.000 2.380 968 W HA -0.102 4.558 4.660 -0.000 0.000 0.317 968 W C 1.920 178.422 176.519 -0.028 0.000 1.196 968 W CA 1.653 59.011 57.345 0.020 0.000 1.307 968 W CB -0.589 28.950 29.460 0.130 0.000 1.157 968 W HN 0.380 nan 8.180 nan 0.000 0.483 969 D N 0.197 120.718 120.400 0.202 0.000 2.092 969 D HA -0.261 4.379 4.640 -0.000 0.000 0.193 969 D C 1.882 178.159 176.300 -0.038 0.000 0.994 969 D CA 2.011 56.030 54.000 0.031 0.000 0.828 969 D CB -0.676 40.160 40.800 0.059 0.000 0.963 969 D HN 0.388 nan 8.370 nan 0.000 0.450 970 E N 0.245 120.445 120.200 -0.001 0.000 2.058 970 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 970 E C 2.226 178.792 176.600 -0.057 0.000 0.997 970 E CA 1.217 57.606 56.400 -0.018 0.000 0.801 970 E CB -0.163 29.540 29.700 0.004 0.000 0.746 970 E HN 0.203 nan 8.360 nan 0.000 0.450 971 C N 0.287 119.535 119.300 -0.087 0.000 2.429 971 C HA -0.060 4.400 4.460 -0.000 0.000 0.277 971 C C 2.615 177.484 174.990 -0.201 0.000 1.262 971 C CA 0.586 59.525 59.018 -0.132 0.000 1.733 971 C CB -1.166 26.482 27.740 -0.153 0.000 2.010 971 C HN 0.513 nan 8.230 nan 0.000 0.483 972 L N 0.861 121.896 121.223 -0.313 0.000 2.012 972 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 972 L C 2.750 179.542 176.870 -0.130 0.000 1.073 972 L CA 2.261 56.898 54.840 -0.338 0.000 0.748 972 L CB -0.743 41.063 42.059 -0.422 0.000 0.891 972 L HN 0.446 nan 8.230 nan 0.000 0.431 973 K N 0.233 120.586 120.400 -0.078 0.000 1.984 973 K HA -0.189 4.131 4.320 -0.000 0.000 0.209 973 K C 2.303 178.890 176.600 -0.021 0.000 1.046 973 K CA 1.899 58.174 56.287 -0.020 0.000 0.934 973 K CB -0.141 32.351 32.500 -0.013 0.000 0.717 973 K HN 0.321 nan 8.250 nan 0.000 0.438 974 S N 0.274 115.955 115.700 -0.033 0.000 2.419 974 S HA -0.133 4.337 4.470 -0.000 0.000 0.233 974 S C 1.947 176.532 174.600 -0.024 0.000 1.016 974 S CA 1.462 59.647 58.200 -0.025 0.000 0.974 974 S CB -0.421 62.764 63.200 -0.025 0.000 0.786 974 S HN 0.476 nan 8.310 nan 0.000 0.492 975 S N 0.364 116.042 115.700 -0.036 0.000 2.575 975 S HA 0.173 4.643 4.470 -0.000 0.000 0.215 975 S C 0.597 175.184 174.600 -0.023 0.000 0.966 975 S CA 0.048 58.231 58.200 -0.028 0.000 0.911 975 S CB -0.675 62.505 63.200 -0.035 0.000 0.780 975 S HN 0.549 nan 8.310 nan 0.000 0.514 976 Q N -0.561 119.231 119.800 -0.014 0.000 2.457 976 Q HA -0.299 4.041 4.340 -0.000 0.000 0.283 976 Q C 0.309 176.291 176.000 -0.030 0.000 1.234 976 Q CA 0.723 56.524 55.803 -0.003 0.000 0.877 976 Q CB -2.409 26.322 28.738 -0.011 0.000 1.250 976 Q HN 0.787 nan 8.270 nan 0.000 0.481 977 Y N -0.291 119.884 120.300 -0.208 0.000 2.062 977 Y HA -0.398 4.152 4.550 -0.000 0.000 0.273 977 Y C 1.640 177.347 175.900 -0.322 0.000 1.206 977 Y CA 2.736 60.633 58.100 -0.338 0.000 1.125 977 Y CB -0.445 37.669 38.460 -0.577 0.000 0.951 977 Y HN 0.401 nan 8.280 nan 0.000 0.501 978 Y N -0.790 119.506 120.300 -0.007 0.000 2.145 978 Y HA -0.201 4.349 4.550 -0.000 0.000 0.286 978 Y C 2.695 178.522 175.900 -0.122 0.000 1.145 978 Y CA 1.068 59.121 58.100 -0.078 0.000 1.148 978 Y CB -0.956 37.523 38.460 0.032 0.000 0.981 978 Y HN 0.236 nan 8.280 nan 0.000 0.507 979 A N 0.431 123.286 122.820 0.058 0.000 1.908 979 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 979 A C 2.190 179.741 177.584 -0.055 0.000 1.181 979 A CA 1.740 53.782 52.037 0.009 0.000 0.627 979 A CB -0.555 18.452 19.000 0.011 0.000 0.818 979 A HN 0.400 nan 8.150 nan 0.000 0.445 980 R N -0.851 119.578 120.500 -0.118 0.000 2.148 980 R HA -0.048 4.292 4.340 -0.000 0.000 0.223 980 R C 2.203 178.390 176.300 -0.188 0.000 1.088 980 R CA 1.236 57.248 56.100 -0.146 0.000 0.985 980 R CB -0.177 30.026 30.300 -0.161 0.000 0.880 980 R HN 0.597 nan 8.270 nan 0.000 0.451 981 K N 0.317 120.547 120.400 -0.283 0.000 2.147 981 K HA -0.077 4.243 4.320 -0.000 0.000 0.205 981 K C 1.772 178.307 176.600 -0.108 0.000 1.049 981 K CA 1.423 57.552 56.287 -0.263 0.000 0.936 981 K CB 0.148 32.439 32.500 -0.348 0.000 0.722 981 K HN -0.012 nan 8.250 nan 0.000 0.446 982 S N 0.849 116.508 115.700 -0.068 0.000 2.387 982 S HA -0.134 4.336 4.470 -0.000 0.000 0.226 982 S C 1.676 176.270 174.600 -0.011 0.000 1.026 982 S CA 0.985 59.172 58.200 -0.022 0.000 0.972 982 S CB -0.160 63.036 63.200 -0.007 0.000 0.814 982 S HN 0.415 nan 8.310 nan 0.000 0.477 983 E N 1.505 121.690 120.200 -0.024 0.000 2.051 983 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 983 E C 2.050 178.668 176.600 0.031 0.000 0.991 983 E CA 1.318 57.718 56.400 -0.000 0.000 0.799 983 E CB -0.217 29.465 29.700 -0.030 0.000 0.748 983 E HN 0.309 nan 8.360 nan 0.000 0.449 984 V N 2.360 122.268 119.914 -0.011 0.000 2.255 984 V HA -0.273 3.847 4.120 -0.000 0.000 0.247 984 V C 2.158 178.303 176.094 0.085 0.000 1.051 984 V CA 2.308 64.618 62.300 0.017 0.000 1.018 984 V CB -0.643 31.156 31.823 -0.041 0.000 0.641 984 V HN 0.255 nan 8.190 nan 0.000 0.445 985 D N -0.276 120.149 120.400 0.041 0.000 2.149 985 D HA -0.198 4.442 4.640 -0.000 0.000 0.198 985 D C 2.135 178.467 176.300 0.054 0.000 0.990 985 D CA 1.533 55.559 54.000 0.043 0.000 0.839 985 D CB -0.197 40.614 40.800 0.019 0.000 0.948 985 D HN 0.466 nan 8.370 nan 0.000 0.460 986 K N -0.066 120.370 120.400 0.060 0.000 2.026 986 K HA -0.166 4.154 4.320 -0.000 0.000 0.208 986 K C 2.179 178.822 176.600 0.072 0.000 1.048 986 K CA 0.757 57.076 56.287 0.052 0.000 0.929 986 K CB -0.337 32.194 32.500 0.052 0.000 0.713 986 K HN 0.011 nan 8.250 nan 0.000 0.439 987 F N 2.466 122.407 119.950 -0.015 0.000 2.091 987 F HA -0.269 4.258 4.527 -0.000 0.000 0.299 987 F C 1.757 177.552 175.800 -0.008 0.000 1.103 987 F CA 1.857 59.852 58.000 -0.009 0.000 1.228 987 F CB -0.317 38.677 39.000 -0.010 0.000 0.984 987 F HN 0.173 nan 8.300 nan 0.000 0.477 988 N N 0.585 119.370 118.700 0.142 0.000 2.289 988 N HA -0.149 4.590 4.740 -0.000 0.000 0.184 988 N C 1.656 177.120 175.510 -0.078 0.000 1.016 988 N CA 1.218 54.287 53.050 0.032 0.000 0.872 988 N CB -0.349 38.185 38.487 0.079 0.000 0.973 988 N HN 0.432 nan 8.380 nan 0.000 0.433 989 K N 0.716 121.078 120.400 -0.062 0.000 2.167 989 K HA 0.005 4.325 4.320 -0.000 0.000 0.203 989 K C 1.243 177.779 176.600 -0.106 0.000 1.052 989 K CA 0.760 57.004 56.287 -0.073 0.000 0.956 989 K CB 0.109 32.586 32.500 -0.040 0.000 0.735 989 K HN 0.285 nan 8.250 nan 0.000 0.451 990 E N 0.185 120.291 120.200 -0.157 0.000 2.474 990 E HA 0.053 4.403 4.350 -0.000 0.000 0.194 990 E C -0.254 176.199 176.600 -0.245 0.000 1.041 990 E CA 0.079 56.373 56.400 -0.177 0.000 0.874 990 E CB 0.363 29.957 29.700 -0.175 0.000 0.914 990 E HN 0.178 nan 8.360 nan 0.000 0.498 991 N N 0.027 118.525 118.700 -0.338 0.000 2.399 991 N HA 0.073 4.813 4.740 -0.000 0.000 0.284 991 N C -0.552 174.823 175.510 -0.226 0.000 1.025 991 N CA -0.186 52.675 53.050 -0.316 0.000 0.885 991 N CB 1.870 39.993 38.487 -0.606 0.000 1.339 991 N HN -0.005 nan 8.380 nan 0.000 0.487 992 C N 1.828 120.991 119.300 -0.228 0.000 2.512 992 C HA 0.207 4.667 4.460 -0.000 0.000 0.276 992 C C 0.878 175.487 174.990 -0.634 0.000 1.368 992 C CA -0.098 58.630 59.018 -0.483 0.000 1.755 992 C CB -0.694 26.698 27.740 -0.580 0.000 2.008 992 C HN 0.857 nan 8.230 nan 0.000 0.511 993 W N 1.437 122.761 121.300 0.041 0.000 2.991 993 W HA 0.446 5.106 4.660 -0.000 0.000 0.391 993 W C 0.384 176.959 176.519 0.092 0.000 1.054 993 W CA -0.357 57.035 57.345 0.079 0.000 1.856 993 W CB 0.186 29.664 29.460 0.031 0.000 1.132 993 W HN 0.012 nan 8.180 nan 0.000 0.601 994 K N 1.229 121.757 120.400 0.214 0.000 2.525 994 K HA 0.396 4.716 4.320 -0.000 0.000 0.254 994 K C -0.496 176.285 176.600 0.301 0.000 0.934 994 K CA -0.868 55.584 56.287 0.275 0.000 0.802 994 K CB 2.362 35.066 32.500 0.340 0.000 1.295 994 K HN -0.404 nan 8.250 nan 0.000 0.433 995 K N 2.262 122.855 120.400 0.322 0.000 2.477 995 K HA 0.500 4.819 4.320 -0.000 0.000 0.255 995 K C -0.741 175.995 176.600 0.226 0.000 0.952 995 K CA -0.832 55.637 56.287 0.303 0.000 0.826 995 K CB 2.439 35.026 32.500 0.145 0.000 1.331 995 K HN 0.533 nan 8.250 nan 0.000 0.437 996 R N -0.177 120.429 120.500 0.175 0.000 2.732 996 R HA 0.718 5.058 4.340 -0.000 0.000 0.278 996 R C 0.001 176.310 176.300 0.014 0.000 0.976 996 R CA -0.967 55.125 56.100 -0.014 0.000 0.963 996 R CB 1.972 32.136 30.300 -0.228 0.000 1.150 996 R HN 0.762 nan 8.270 nan 0.000 0.478 997 G N 0.950 109.743 108.800 -0.010 0.000 2.574 997 G HA2 0.622 4.582 3.960 -0.000 0.000 0.299 997 G HA3 0.622 4.582 3.960 -0.000 0.000 0.299 997 G C -2.018 172.879 174.900 -0.004 0.000 1.298 997 G CA -0.402 44.702 45.100 0.007 0.000 0.952 997 G HN 0.330 nan 8.290 nan 0.000 0.477 998 L N 0.376 121.606 121.223 0.011 0.000 2.455 998 L HA 0.835 5.175 4.340 -0.000 0.000 0.264 998 L C -1.103 175.826 176.870 0.099 0.000 0.968 998 L CA -0.664 54.186 54.840 0.016 0.000 0.827 998 L CB 1.888 43.895 42.059 -0.086 0.000 1.317 998 L HN 0.834 nan 8.230 nan 0.000 0.407 999 C N 5.584 124.970 119.300 0.143 0.000 3.006 999 C HA 0.645 5.105 4.460 -0.000 0.000 0.359 999 C C -1.306 173.759 174.990 0.125 0.000 1.103 999 C CA -0.822 58.299 59.018 0.171 0.000 1.286 999 C CB 0.796 28.646 27.740 0.182 0.000 1.694 999 C HN 0.918 nan 8.230 nan 0.000 0.511 1000 I N 7.063 127.655 120.570 0.036 0.000 2.389 1000 I HA 0.674 4.844 4.170 -0.000 0.000 0.288 1000 I C -1.232 174.898 176.117 0.022 0.000 0.999 1000 I CA -0.516 60.711 61.300 -0.122 0.000 1.129 1000 I CB 0.807 38.459 38.000 -0.579 0.000 1.288 1000 I HN 0.536 nan 8.210 nan 0.000 0.444 1001 I N 9.362 130.000 120.570 0.112 0.000 2.569 1001 I HA 0.597 4.767 4.170 -0.000 0.000 0.296 1001 I C -2.523 173.789 176.117 0.325 0.000 1.028 1001 I CA -2.164 59.282 61.300 0.243 0.000 1.082 1001 I CB 1.957 40.038 38.000 0.135 0.000 1.264 1001 I HN 0.394 nan 8.210 nan 0.000 0.429 1002 P HA 0.554 nan 4.420 nan 0.000 0.290 1002 P C -0.896 176.588 177.300 0.307 0.000 1.302 1002 P CA -0.485 62.823 63.100 0.347 0.000 0.893 1002 P CB 3.173 35.044 31.700 0.285 0.000 1.272 1003 T N -1.406 113.321 114.554 0.288 0.000 2.893 1003 T HA 0.507 4.857 4.350 -0.000 0.000 0.337 1003 T C -1.909 172.993 174.700 0.337 0.000 1.587 1003 T CA -0.691 61.609 62.100 0.334 0.000 1.066 1003 T CB 0.974 70.124 68.868 0.471 0.000 1.414 1003 T HN 0.719 nan 8.240 nan 0.000 0.488 1004 K N 2.180 122.781 120.400 0.335 0.000 2.464 1004 K HA 0.780 5.099 4.320 -0.000 0.000 0.253 1004 K C -2.053 174.773 176.600 0.376 0.000 0.933 1004 K CA -0.900 55.573 56.287 0.310 0.000 0.801 1004 K CB 2.049 34.783 32.500 0.391 0.000 1.271 1004 K HN 0.411 nan 8.250 nan 0.000 0.430 1005 F N 1.394 121.392 119.950 0.081 0.000 2.562 1005 F HA 0.461 4.988 4.527 -0.000 0.000 0.319 1005 F C -0.115 175.553 175.800 -0.221 0.000 1.154 1005 F CA -0.265 57.774 58.000 0.065 0.000 0.931 1005 F CB 2.081 41.048 39.000 -0.056 0.000 1.198 1005 F HN 0.821 nan 8.300 nan 0.000 0.444 1006 G N 6.448 114.728 108.800 -0.868 0.000 2.365 1006 G HA2 0.405 4.365 3.960 -0.000 0.000 0.249 1006 G HA3 0.405 4.365 3.960 -0.000 0.000 0.249 1006 G C -0.692 173.415 174.900 -1.323 0.000 1.288 1006 G CA -0.393 43.431 45.100 -2.127 0.000 0.887 1006 G HN 0.477 nan 8.290 nan 0.000 0.524 1007 I N 1.411 121.414 120.570 -0.945 0.000 2.339 1007 I HA 0.547 4.716 4.170 -0.000 0.000 0.290 1007 I C 0.314 176.258 176.117 -0.289 0.000 0.994 1007 I CA -0.174 60.785 61.300 -0.570 0.000 1.191 1007 I CB 0.305 37.733 38.000 -0.953 0.000 1.343 1007 I HN 0.518 nan 8.210 nan 0.000 0.458 1008 S N 4.399 119.995 115.700 -0.172 0.000 2.779 1008 S HA 0.100 4.570 4.470 -0.000 0.000 0.257 1008 S C -0.691 173.852 174.600 -0.095 0.000 0.634 1008 S CA -0.938 57.197 58.200 -0.107 0.000 1.183 1008 S CB -0.115 63.058 63.200 -0.045 0.000 1.457 1008 S HN 0.325 nan 8.310 nan 0.000 0.535 1009 F N 2.203 122.091 119.950 -0.103 0.000 2.563 1009 F HA 0.155 4.682 4.527 -0.000 0.000 0.363 1009 F C 2.376 178.107 175.800 -0.115 0.000 1.123 1009 F CA 0.952 58.876 58.000 -0.127 0.000 1.307 1009 F CB 0.694 39.601 39.000 -0.156 0.000 1.115 1009 F HN 0.821 nan 8.300 nan 0.000 0.592 1010 T N -1.318 113.320 114.554 0.141 0.000 2.962 1010 T HA -0.040 4.310 4.350 -0.000 0.000 0.270 1010 T C 0.548 175.288 174.700 0.066 0.000 1.088 1010 T CA 0.443 62.615 62.100 0.120 0.000 1.127 1010 T CB -0.486 68.548 68.868 0.276 0.000 0.883 1010 T HN 0.184 nan 8.240 nan 0.000 0.493 1011 V N 3.931 123.845 119.914 0.001 0.000 2.334 1011 V HA 0.226 4.346 4.120 -0.000 0.000 0.267 1011 V C -1.308 174.616 176.094 -0.283 0.000 1.040 1011 V CA -1.723 60.445 62.300 -0.220 0.000 0.866 1011 V CB 1.153 32.696 31.823 -0.467 0.000 1.019 1011 V HN 0.154 nan 8.190 nan 0.000 0.468 1012 P HA -0.233 nan 4.420 nan 0.000 0.217 1012 P C 1.531 178.783 177.300 -0.080 0.000 1.158 1012 P CA 1.679 64.719 63.100 -0.099 0.000 0.887 1012 P CB -0.044 31.639 31.700 -0.027 0.000 0.792 1013 F N -1.821 118.100 119.950 -0.048 0.000 2.641 1013 F HA 0.031 4.558 4.527 -0.000 0.000 0.298 1013 F C 1.488 177.206 175.800 -0.136 0.000 1.146 1013 F CA 0.664 58.621 58.000 -0.072 0.000 1.464 1013 F CB -1.732 37.239 39.000 -0.049 0.000 1.101 1013 F HN -0.146 nan 8.300 nan 0.000 0.585 1014 L N 0.551 121.619 121.223 -0.259 0.000 2.492 1014 L HA 0.028 4.368 4.340 -0.000 0.000 0.223 1014 L C 0.752 177.410 176.870 -0.352 0.000 1.132 1014 L CA 0.276 54.845 54.840 -0.452 0.000 0.850 1014 L CB -0.616 40.784 42.059 -1.099 0.000 0.966 1014 L HN 0.139 nan 8.230 nan 0.000 0.454 1015 N N 2.439 121.074 118.700 -0.108 0.000 3.303 1015 N HA 0.053 4.793 4.740 -0.000 0.000 0.304 1015 N C -0.430 174.991 175.510 -0.149 0.000 1.302 1015 N CA 0.147 53.186 53.050 -0.019 0.000 1.213 1015 N CB 0.273 38.752 38.487 -0.014 0.000 1.481 1015 N HN 0.529 nan 8.380 nan 0.000 0.546 1016 Q N -0.904 118.788 119.800 -0.181 0.000 2.421 1016 Q HA 0.830 5.170 4.340 -0.000 0.000 0.280 1016 Q C -1.743 174.028 176.000 -0.382 0.000 1.085 1016 Q CA -1.270 54.331 55.803 -0.337 0.000 0.807 1016 Q CB 2.323 30.986 28.738 -0.124 0.000 1.405 1016 Q HN 0.064 nan 8.270 nan 0.000 0.419 1017 A N 0.761 123.204 122.820 -0.629 0.000 2.517 1017 A HA 0.876 5.196 4.320 -0.000 0.000 0.297 1017 A C -0.819 176.635 177.584 -0.216 0.000 1.050 1017 A CA -0.160 51.638 52.037 -0.399 0.000 0.694 1017 A CB 1.893 20.485 19.000 -0.680 0.000 1.277 1017 A HN 0.909 nan 8.150 nan 0.000 0.400 1018 G N -0.242 108.694 108.800 0.227 0.000 2.473 1018 G HA2 0.884 4.844 3.960 -0.000 0.000 0.321 1018 G HA3 0.884 4.844 3.960 -0.000 0.000 0.321 1018 G C -0.508 174.589 174.900 0.328 0.000 1.200 1018 G CA -0.043 45.265 45.100 0.346 0.000 0.963 1018 G HN 1.902 nan 8.290 nan 0.000 0.483 1019 A N -0.058 122.910 122.820 0.248 0.000 2.539 1019 A HA 0.789 5.109 4.320 -0.000 0.000 0.296 1019 A C -1.833 175.807 177.584 0.094 0.000 1.073 1019 A CA -0.595 51.552 52.037 0.183 0.000 0.700 1019 A CB 2.139 21.243 19.000 0.173 0.000 1.296 1019 A HN 1.444 nan 8.150 nan 0.000 0.405 1020 L N 1.771 123.003 121.223 0.016 0.000 2.409 1020 L HA 0.789 5.129 4.340 -0.000 0.000 0.272 1020 L C -1.494 175.244 176.870 -0.220 0.000 0.980 1020 L CA -0.167 54.616 54.840 -0.094 0.000 0.826 1020 L CB 1.251 43.243 42.059 -0.112 0.000 1.268 1020 L HN 0.622 nan 8.230 nan 0.000 0.407 1021 I N 4.526 124.946 120.570 -0.251 0.000 2.545 1021 I HA 0.467 4.637 4.170 -0.000 0.000 0.292 1021 I C -1.006 174.932 176.117 -0.299 0.000 1.040 1021 I CA -0.777 60.375 61.300 -0.246 0.000 1.068 1021 I CB 1.875 39.840 38.000 -0.057 0.000 1.251 1021 I HN 0.550 nan 8.210 nan 0.000 0.424 1022 H N 4.865 123.896 119.070 -0.065 0.000 2.600 1022 H HA 0.524 5.080 4.556 -0.000 0.000 0.357 1022 H C -0.997 174.180 175.328 -0.251 0.000 1.106 1022 H CA -0.769 55.144 56.048 -0.224 0.000 1.193 1022 H CB 2.638 32.140 29.762 -0.433 0.000 1.594 1022 H HN 0.155 nan 8.280 nan 0.000 0.526 1023 V N 4.297 124.140 119.914 -0.118 0.000 2.378 1023 V HA 0.198 4.317 4.120 -0.000 0.000 0.288 1023 V C -0.366 175.608 176.094 -0.199 0.000 1.016 1023 V CA -0.786 61.492 62.300 -0.035 0.000 0.840 1023 V CB 0.242 32.113 31.823 0.081 0.000 0.994 1023 V HN 0.580 nan 8.190 nan 0.000 0.431 1024 Y N 1.959 122.297 120.300 0.064 0.000 2.295 1024 Y HA 0.178 4.728 4.550 -0.000 0.000 0.331 1024 Y C 2.191 178.043 175.900 -0.082 0.000 1.311 1024 Y CA 0.339 58.422 58.100 -0.028 0.000 1.430 1024 Y CB 0.716 39.162 38.460 -0.023 0.000 1.339 1024 Y HN 0.750 nan 8.280 nan 0.000 0.552 1025 T N -3.235 111.312 114.554 -0.011 0.000 3.025 1025 T HA -0.162 4.188 4.350 -0.000 0.000 0.270 1025 T C 0.769 175.436 174.700 -0.055 0.000 1.126 1025 T CA 1.254 63.272 62.100 -0.137 0.000 1.105 1025 T CB -0.365 68.307 68.868 -0.327 0.000 0.884 1025 T HN 0.742 nan 8.240 nan 0.000 0.522 1026 D N 0.458 120.870 120.400 0.020 0.000 2.339 1026 D HA 0.223 4.863 4.640 -0.000 0.000 0.217 1026 D C 1.655 178.008 176.300 0.088 0.000 1.050 1026 D CA 0.511 54.528 54.000 0.029 0.000 0.856 1026 D CB -0.574 40.241 40.800 0.024 0.000 0.922 1026 D HN 0.555 nan 8.370 nan 0.000 0.518 1027 G N 0.576 109.450 108.800 0.124 0.000 2.195 1027 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.246 1027 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.246 1027 G C 0.386 175.552 174.900 0.443 0.000 0.984 1027 G CA 0.348 45.620 45.100 0.286 0.000 0.633 1027 G HN 0.800 nan 8.290 nan 0.000 0.525 1028 S N -0.352 115.522 115.700 0.290 0.000 2.564 1028 S HA 0.649 5.119 4.470 -0.000 0.000 0.278 1028 S C 0.123 174.925 174.600 0.337 0.000 1.333 1028 S CA -0.061 58.300 58.200 0.267 0.000 1.048 1028 S CB 2.386 65.695 63.200 0.182 0.000 0.900 1028 S HN 1.099 nan 8.310 nan 0.000 0.505 1029 V N 3.428 123.506 119.914 0.274 0.000 2.459 1029 V HA 0.507 4.627 4.120 -0.000 0.000 0.295 1029 V C -0.433 175.810 176.094 0.249 0.000 1.029 1029 V CA -0.861 61.585 62.300 0.244 0.000 0.874 1029 V CB 1.267 33.198 31.823 0.180 0.000 0.985 1029 V HN 0.873 nan 8.190 nan 0.000 0.438 1030 L N 6.319 127.691 121.223 0.249 0.000 2.298 1030 L HA 0.660 4.999 4.340 -0.000 0.000 0.284 1030 L C -0.477 176.444 176.870 0.086 0.000 1.013 1030 L CA 0.091 55.083 54.840 0.253 0.000 0.824 1030 L CB 1.533 43.855 42.059 0.438 0.000 1.221 1030 L HN 0.458 nan 8.230 nan 0.000 0.418 1031 V N 3.985 123.926 119.914 0.045 0.000 2.472 1031 V HA 0.718 4.837 4.120 -0.000 0.000 0.290 1031 V C 0.013 176.082 176.094 -0.042 0.000 1.037 1031 V CA -0.353 61.944 62.300 -0.005 0.000 0.908 1031 V CB 1.627 33.463 31.823 0.022 0.000 0.985 1031 V HN 0.846 nan 8.190 nan 0.000 0.454 1032 S N 3.215 118.887 115.700 -0.047 0.000 2.541 1032 S HA 0.838 5.308 4.470 -0.000 0.000 0.280 1032 S C -1.069 173.528 174.600 -0.004 0.000 1.112 1032 S CA -0.569 57.574 58.200 -0.096 0.000 0.925 1032 S CB 1.233 64.371 63.200 -0.102 0.000 1.067 1032 S HN 1.132 nan 8.310 nan 0.000 0.479 1033 H N -0.197 118.814 119.070 -0.099 0.000 2.990 1033 H HA 0.616 5.172 4.556 -0.000 0.000 0.336 1033 H C 0.892 176.090 175.328 -0.217 0.000 1.306 1033 H CA -0.473 55.518 56.048 -0.095 0.000 1.118 1033 H CB 0.629 30.339 29.762 -0.087 0.000 1.856 1033 H HN 0.586 nan 8.280 nan 0.000 0.538 1034 G N -0.253 108.452 108.800 -0.157 0.000 2.598 1034 G HA2 0.181 4.140 3.960 -0.000 0.000 0.215 1034 G HA3 0.181 4.140 3.960 -0.000 0.000 0.215 1034 G C 0.664 175.236 174.900 -0.547 0.000 1.131 1034 G CA 0.199 45.172 45.100 -0.212 0.000 0.785 1034 G HN 0.863 nan 8.290 nan 0.000 0.539 1035 G N -0.173 107.988 108.800 -1.066 0.000 2.507 1035 G HA2 0.467 4.426 3.960 -0.000 0.000 0.271 1035 G HA3 0.467 4.426 3.960 -0.000 0.000 0.271 1035 G C 0.060 174.800 174.900 -0.266 0.000 1.189 1035 G CA 0.360 45.111 45.100 -0.581 0.000 0.859 1035 G HN 0.372 nan 8.290 nan 0.000 0.542 1036 T N -1.631 112.827 114.554 -0.161 0.000 2.940 1036 T HA 0.588 4.938 4.350 -0.000 0.000 0.288 1036 T C -0.527 174.005 174.700 -0.280 0.000 1.033 1036 T CA -0.818 61.177 62.100 -0.176 0.000 1.033 1036 T CB 2.308 71.104 68.868 -0.118 0.000 1.079 1036 T HN 0.456 nan 8.240 nan 0.000 0.496 1037 E N 1.730 121.724 120.200 -0.345 0.000 2.174 1037 E HA 0.456 4.806 4.350 -0.000 0.000 0.282 1037 E C 0.255 176.762 176.600 -0.155 0.000 0.992 1037 E CA -0.733 55.463 56.400 -0.339 0.000 0.803 1037 E CB 0.879 30.355 29.700 -0.373 0.000 1.090 1037 E HN 0.780 nan 8.360 nan 0.000 0.396 1038 M N 2.432 121.950 119.600 -0.137 0.000 2.511 1038 M HA 0.497 4.977 4.480 -0.000 0.000 0.387 1038 M C 0.765 176.995 176.300 -0.117 0.000 1.112 1038 M CA 0.112 55.324 55.300 -0.147 0.000 0.921 1038 M CB 0.828 33.284 32.600 -0.241 0.000 1.501 1038 M HN 0.594 nan 8.290 nan 0.000 0.538 1039 G N 1.696 110.488 108.800 -0.012 0.000 2.231 1039 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.206 1039 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.206 1039 G C 0.835 175.787 174.900 0.087 0.000 0.996 1039 G CA 0.361 45.487 45.100 0.043 0.000 0.645 1039 G HN 0.610 nan 8.290 nan 0.000 0.498 1040 Q N 1.579 121.389 119.800 0.018 0.000 2.472 1040 Q HA 0.299 4.639 4.340 -0.000 0.000 0.208 1040 Q C 1.605 177.618 176.000 0.022 0.000 0.958 1040 Q CA 1.456 57.268 55.803 0.014 0.000 0.932 1040 Q CB -0.441 28.276 28.738 -0.035 0.000 1.007 1040 Q HN 1.968 nan 8.270 nan 0.000 0.508 1041 G N 1.784 110.603 108.800 0.032 0.000 2.182 1041 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.248 1041 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.248 1041 G C 0.328 175.132 174.900 -0.161 0.000 1.042 1041 G CA 0.405 45.417 45.100 -0.146 0.000 0.775 1041 G HN 0.409 nan 8.290 nan 0.000 0.501 1042 L N 0.006 121.135 121.223 -0.155 0.000 2.017 1042 L HA 0.050 4.390 4.340 -0.000 0.000 0.208 1042 L C 2.551 179.384 176.870 -0.060 0.000 1.073 1042 L CA 2.850 57.618 54.840 -0.122 0.000 0.745 1042 L CB -0.528 41.448 42.059 -0.139 0.000 0.894 1042 L HN 0.397 nan 8.230 nan 0.000 0.432 1043 H N -0.857 118.176 119.070 -0.061 0.000 2.387 1043 H HA -0.088 4.468 4.556 -0.000 0.000 0.299 1043 H C 2.159 177.417 175.328 -0.117 0.000 1.090 1043 H CA 1.773 57.794 56.048 -0.046 0.000 1.332 1043 H CB -0.964 28.750 29.762 -0.080 0.000 1.386 1043 H HN 0.368 nan 8.280 nan 0.000 0.516 1044 T N 1.137 115.642 114.554 -0.082 0.000 2.652 1044 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 1044 T C 2.031 176.699 174.700 -0.055 0.000 1.039 1044 T CA 1.472 63.504 62.100 -0.114 0.000 1.153 1044 T CB -0.001 68.738 68.868 -0.215 0.000 0.863 1044 T HN 0.358 nan 8.240 nan 0.000 0.428 1045 K N 0.375 120.741 120.400 -0.056 0.000 2.097 1045 K HA 0.010 4.329 4.320 -0.000 0.000 0.206 1045 K C 2.357 178.950 176.600 -0.012 0.000 1.049 1045 K CA 1.036 57.306 56.287 -0.029 0.000 0.933 1045 K CB -0.136 32.344 32.500 -0.034 0.000 0.717 1045 K HN 0.236 nan 8.250 nan 0.000 0.442 1046 M N 0.330 119.915 119.600 -0.026 0.000 2.175 1046 M HA -0.106 4.374 4.480 -0.000 0.000 0.264 1046 M C 2.232 178.534 176.300 0.003 0.000 1.063 1046 M CA 1.236 56.514 55.300 -0.036 0.000 1.119 1046 M CB -0.606 31.931 32.600 -0.106 0.000 1.377 1046 M HN -0.061 nan 8.290 nan 0.000 0.415 1047 V N 0.224 120.140 119.914 0.003 0.000 2.427 1047 V HA -0.251 3.869 4.120 -0.000 0.000 0.248 1047 V C 2.391 178.493 176.094 0.013 0.000 1.051 1047 V CA 1.470 63.773 62.300 0.004 0.000 1.048 1047 V CB -0.694 31.125 31.823 -0.007 0.000 0.666 1047 V HN 0.508 nan 8.190 nan 0.000 0.456 1048 Q N -0.649 119.159 119.800 0.013 0.000 2.084 1048 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 1048 Q C 2.370 178.403 176.000 0.055 0.000 0.978 1048 Q CA 1.790 57.604 55.803 0.018 0.000 0.844 1048 Q CB -0.260 28.485 28.738 0.010 0.000 0.898 1048 Q HN 0.530 nan 8.270 nan 0.000 0.426 1049 V N 0.789 120.762 119.914 0.098 0.000 2.261 1049 V HA -0.280 3.840 4.120 -0.000 0.000 0.246 1049 V C 2.256 178.460 176.094 0.183 0.000 1.047 1049 V CA 1.874 64.301 62.300 0.213 0.000 1.015 1049 V CB -0.950 30.970 31.823 0.161 0.000 0.642 1049 V HN 0.411 nan 8.190 nan 0.000 0.446 1050 A N -0.543 122.333 122.820 0.093 0.000 1.940 1050 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 1050 A C 2.575 180.174 177.584 0.025 0.000 1.176 1050 A CA 2.330 54.403 52.037 0.059 0.000 0.631 1050 A CB -0.805 18.213 19.000 0.030 0.000 0.814 1050 A HN 0.530 nan 8.150 nan 0.000 0.446 1051 S N -0.472 115.233 115.700 0.008 0.000 2.368 1051 S HA -0.214 4.256 4.470 -0.000 0.000 0.225 1051 S C 2.115 176.702 174.600 -0.021 0.000 1.030 1051 S CA 1.926 60.104 58.200 -0.037 0.000 0.999 1051 S CB -0.312 62.867 63.200 -0.034 0.000 0.844 1051 S HN 0.627 nan 8.310 nan 0.000 0.459 1052 K N 0.410 120.824 120.400 0.022 0.000 2.057 1052 K HA 0.045 4.365 4.320 -0.000 0.000 0.206 1052 K C 2.229 178.883 176.600 0.089 0.000 1.050 1052 K CA 1.118 57.413 56.287 0.013 0.000 0.935 1052 K CB -0.553 31.901 32.500 -0.077 0.000 0.715 1052 K HN 0.408 nan 8.250 nan 0.000 0.439 1053 A N 1.069 123.997 122.820 0.180 0.000 1.930 1053 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 1053 A C 1.985 179.602 177.584 0.054 0.000 1.175 1053 A CA 1.132 53.271 52.037 0.170 0.000 0.627 1053 A CB -0.407 18.676 19.000 0.139 0.000 0.815 1053 A HN 0.330 nan 8.150 nan 0.000 0.443 1054 L N -1.777 119.451 121.223 0.008 0.000 2.509 1054 L HA 0.055 4.395 4.340 -0.000 0.000 0.222 1054 L C 0.178 177.010 176.870 -0.063 0.000 1.123 1054 L CA 0.365 55.184 54.840 -0.037 0.000 0.856 1054 L CB -0.138 41.825 42.059 -0.160 0.000 0.985 1054 L HN 0.354 nan 8.230 nan 0.000 0.456 1055 K N 1.242 121.616 120.400 -0.043 0.000 3.162 1055 K HA -0.173 4.147 4.320 -0.000 0.000 0.268 1055 K C -0.443 176.098 176.600 -0.099 0.000 1.062 1055 K CA 0.622 56.894 56.287 -0.026 0.000 0.769 1055 K CB -1.922 30.611 32.500 0.055 0.000 1.274 1055 K HN 0.519 nan 8.250 nan 0.000 0.478 1056 I N -4.852 115.599 120.570 -0.200 0.000 2.969 1056 I HA 0.630 4.800 4.170 -0.000 0.000 0.307 1056 I C -2.797 173.210 176.117 -0.184 0.000 1.149 1056 I CA -3.272 57.859 61.300 -0.281 0.000 1.008 1056 I CB 2.428 40.037 38.000 -0.651 0.000 1.232 1056 I HN -0.301 nan 8.210 nan 0.000 0.435 1057 P HA 0.186 nan 4.420 nan 0.000 0.269 1057 P C 1.071 178.326 177.300 -0.075 0.000 1.215 1057 P CA -0.264 62.787 63.100 -0.082 0.000 0.780 1057 P CB 0.550 32.215 31.700 -0.058 0.000 0.898 1058 I N -0.176 120.373 120.570 -0.036 0.000 2.614 1058 I HA -0.197 3.973 4.170 -0.000 0.000 0.258 1058 I C 1.603 177.725 176.117 0.009 0.000 1.189 1058 I CA 1.682 62.974 61.300 -0.014 0.000 1.462 1058 I CB -0.999 37.004 38.000 0.005 0.000 1.092 1058 I HN 0.234 nan 8.210 nan 0.000 0.442 1059 S N 1.562 117.265 115.700 0.005 0.000 2.440 1059 S HA -0.138 4.332 4.470 -0.000 0.000 0.238 1059 S C 1.749 176.363 174.600 0.023 0.000 1.010 1059 S CA 0.945 59.158 58.200 0.021 0.000 0.972 1059 S CB -0.542 62.664 63.200 0.010 0.000 0.774 1059 S HN 0.619 nan 8.310 nan 0.000 0.501 1060 K N 0.319 120.716 120.400 -0.005 0.000 2.404 1060 K HA 0.388 4.708 4.320 -0.000 0.000 0.194 1060 K C -0.166 176.463 176.600 0.048 0.000 1.023 1060 K CA 0.095 56.386 56.287 0.006 0.000 1.094 1060 K CB 0.136 32.593 32.500 -0.072 0.000 0.841 1060 K HN 0.457 nan 8.250 nan 0.000 0.523 1061 I N 0.098 120.704 120.570 0.060 0.000 2.603 1061 I HA 0.305 4.475 4.170 -0.000 0.000 0.300 1061 I C -1.095 175.135 176.117 0.188 0.000 1.017 1061 I CA -1.295 60.064 61.300 0.097 0.000 1.098 1061 I CB 1.443 39.464 38.000 0.035 0.000 1.279 1061 I HN -0.130 nan 8.210 nan 0.000 0.437 1062 Y N 5.626 125.941 120.300 0.026 0.000 2.513 1062 Y HA 0.633 5.183 4.550 -0.000 0.000 0.340 1062 Y C -1.489 174.403 175.900 -0.014 0.000 1.055 1062 Y CA -0.876 57.231 58.100 0.010 0.000 1.020 1062 Y CB 1.750 40.223 38.460 0.022 0.000 1.301 1062 Y HN 0.324 nan 8.280 nan 0.000 0.453 1063 I N 4.495 124.655 120.570 -0.683 0.000 2.439 1063 I HA 0.234 4.404 4.170 -0.000 0.000 0.285 1063 I C 0.240 175.861 176.117 -0.828 0.000 1.021 1063 I CA -0.321 60.632 61.300 -0.579 0.000 1.091 1063 I CB 2.073 39.743 38.000 -0.550 0.000 1.242 1063 I HN 0.705 nan 8.210 nan 0.000 0.439 1064 S N 5.205 120.633 115.700 -0.454 0.000 2.412 1064 S HA 0.135 4.605 4.470 -0.000 0.000 0.223 1064 S C 0.435 174.923 174.600 -0.186 0.000 1.048 1064 S CA 0.771 58.838 58.200 -0.221 0.000 0.954 1064 S CB 0.313 63.571 63.200 0.097 0.000 0.840 1064 S HN 0.825 nan 8.310 nan 0.000 0.503 1065 E N -1.316 118.762 120.200 -0.203 0.000 2.415 1065 E HA 0.405 4.755 4.350 -0.000 0.000 0.271 1065 E C -1.662 174.825 176.600 -0.188 0.000 1.094 1065 E CA -0.996 55.321 56.400 -0.139 0.000 0.881 1065 E CB 0.857 30.532 29.700 -0.042 0.000 1.581 1065 E HN -0.022 nan 8.360 nan 0.000 0.460 1066 T N 1.067 115.546 114.554 -0.126 0.000 2.792 1066 T HA 0.634 4.984 4.350 -0.000 0.000 0.280 1066 T C -1.030 173.604 174.700 -0.110 0.000 0.990 1066 T CA -0.557 61.446 62.100 -0.162 0.000 0.960 1066 T CB 1.212 69.987 68.868 -0.155 0.000 0.939 1066 T HN 0.592 nan 8.240 nan 0.000 0.439 1067 S N 0.341 115.979 115.700 -0.103 0.000 2.541 1067 S HA 0.427 4.897 4.470 -0.000 0.000 0.271 1067 S C 1.034 175.595 174.600 -0.065 0.000 1.133 1067 S CA -0.664 57.486 58.200 -0.083 0.000 0.876 1067 S CB 1.391 64.550 63.200 -0.068 0.000 1.105 1067 S HN 0.697 nan 8.310 nan 0.000 0.470 1068 T N -0.952 113.564 114.554 -0.065 0.000 3.072 1068 T HA -0.083 4.267 4.350 -0.000 0.000 0.266 1068 T C 1.132 175.814 174.700 -0.029 0.000 1.127 1068 T CA 1.223 63.296 62.100 -0.046 0.000 1.107 1068 T CB -0.761 68.076 68.868 -0.052 0.000 0.910 1068 T HN 0.755 nan 8.240 nan 0.000 0.513 1069 N N 1.442 120.125 118.700 -0.029 0.000 2.336 1069 N HA -0.003 4.737 4.740 -0.000 0.000 0.189 1069 N C 1.267 176.782 175.510 0.009 0.000 1.113 1069 N CA 0.823 53.866 53.050 -0.011 0.000 0.858 1069 N CB -0.200 38.278 38.487 -0.014 0.000 0.970 1069 N HN 0.648 nan 8.380 nan 0.000 0.471 1070 T N -3.182 111.375 114.554 0.005 0.000 3.085 1070 T HA 0.278 4.628 4.350 -0.000 0.000 0.241 1070 T C 0.419 175.131 174.700 0.019 0.000 0.988 1070 T CA 0.055 62.168 62.100 0.021 0.000 1.117 1070 T CB -0.036 68.837 68.868 0.007 0.000 0.978 1070 T HN -0.108 nan 8.240 nan 0.000 0.454 1071 V N 4.770 124.690 119.914 0.010 0.000 2.380 1071 V HA 0.522 4.642 4.120 -0.000 0.000 0.286 1071 V C -2.527 173.590 176.094 0.038 0.000 1.015 1071 V CA -1.899 60.426 62.300 0.042 0.000 0.834 1071 V CB 1.909 33.765 31.823 0.055 0.000 1.009 1071 V HN 0.376 nan 8.190 nan 0.000 0.428 1072 P HA 0.387 nan 4.420 nan 0.000 0.283 1072 P C -0.258 177.073 177.300 0.052 0.000 1.278 1072 P CA -0.439 62.679 63.100 0.029 0.000 0.834 1072 P CB 0.733 32.441 31.700 0.014 0.000 1.150 1073 N N -1.974 116.741 118.700 0.026 0.000 2.710 1073 N HA -0.141 4.598 4.740 -0.000 0.000 0.249 1073 N C -0.019 175.529 175.510 0.064 0.000 1.059 1073 N CA 1.046 54.114 53.050 0.029 0.000 0.720 1073 N CB -2.231 36.271 38.487 0.025 0.000 0.983 1073 N HN 0.615 nan 8.380 nan 0.000 0.544 1074 S N -1.707 114.035 115.700 0.070 0.000 2.565 1074 S HA 0.481 4.951 4.470 -0.000 0.000 0.276 1074 S C 0.658 175.299 174.600 0.069 0.000 1.326 1074 S CA -0.644 57.627 58.200 0.119 0.000 1.045 1074 S CB 1.845 65.126 63.200 0.135 0.000 0.918 1074 S HN 0.179 nan 8.310 nan 0.000 0.505 1075 S N 3.730 119.473 115.700 0.071 0.000 2.603 1075 S HA 0.401 4.871 4.470 -0.000 0.000 0.268 1075 S C -2.026 172.612 174.600 0.062 0.000 1.317 1075 S CA -0.896 57.273 58.200 -0.051 0.000 1.012 1075 S CB 0.037 63.074 63.200 -0.273 0.000 0.926 1075 S HN 0.759 nan 8.310 nan 0.000 0.539 1076 P HA 0.076 nan 4.420 nan 0.000 0.272 1076 P C -0.795 176.649 177.300 0.240 0.000 1.223 1076 P CA -0.229 62.934 63.100 0.106 0.000 0.784 1076 P CB 0.091 31.842 31.700 0.086 0.000 0.923 1077 T N 1.595 116.249 114.554 0.166 0.000 2.848 1077 T HA 0.482 4.832 4.350 -0.000 0.000 0.283 1077 T C 0.281 175.057 174.700 0.127 0.000 0.919 1077 T CA 0.346 62.553 62.100 0.179 0.000 1.071 1077 T CB -0.665 68.242 68.868 0.065 0.000 0.912 1077 T HN 0.639 nan 8.240 nan 0.000 0.570 1078 A N 2.150 125.059 122.820 0.148 0.000 2.493 1078 A HA 0.850 5.170 4.320 -0.000 0.000 0.300 1078 A C 0.549 177.912 177.584 -0.369 0.000 1.152 1078 A CA -0.263 51.759 52.037 -0.025 0.000 0.643 1078 A CB 0.029 19.065 19.000 0.060 0.000 1.316 1078 A HN 1.504 nan 8.150 nan 0.000 0.469 1079 A N -1.109 121.446 122.820 -0.441 0.000 2.979 1079 A HA 0.050 4.370 4.320 -0.000 0.000 0.260 1079 A C 1.284 178.671 177.584 -0.328 0.000 1.282 1079 A CA 1.790 53.478 52.037 -0.581 0.000 0.971 1079 A CB -2.505 15.675 19.000 -1.367 0.000 1.124 1079 A HN 2.522 nan 8.150 nan 0.000 0.826 1080 S N -4.351 111.231 115.700 -0.195 0.000 3.146 1080 S HA -0.361 4.109 4.470 -0.000 0.000 0.285 1080 S C 1.128 175.668 174.600 -0.100 0.000 1.293 1080 S CA 2.052 60.186 58.200 -0.110 0.000 1.137 1080 S CB -2.418 60.732 63.200 -0.083 0.000 1.357 1080 S HN 2.306 nan 8.310 nan 0.000 0.678 1081 V N -1.709 118.106 119.914 -0.164 0.000 3.633 1081 V HA 0.260 4.380 4.120 -0.000 0.000 0.283 1081 V C 1.684 177.754 176.094 -0.039 0.000 1.305 1081 V CA 0.857 63.095 62.300 -0.103 0.000 1.153 1081 V CB 0.141 31.871 31.823 -0.154 0.000 0.950 1081 V HN 0.382 nan 8.190 nan 0.000 0.432 1082 S N 1.873 117.589 115.700 0.028 0.000 2.359 1082 S HA -0.224 4.246 4.470 -0.000 0.000 0.223 1082 S C 2.021 176.700 174.600 0.132 0.000 1.039 1082 S CA 2.419 60.729 58.200 0.183 0.000 1.042 1082 S CB -0.674 62.681 63.200 0.259 0.000 0.915 1082 S HN 0.758 nan 8.310 nan 0.000 0.439 1083 T N 2.243 116.826 114.554 0.049 0.000 2.684 1083 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 1083 T C 1.421 176.091 174.700 -0.050 0.000 1.036 1083 T CA 1.703 63.803 62.100 0.001 0.000 1.148 1083 T CB -0.700 68.163 68.868 -0.008 0.000 0.863 1083 T HN 0.319 nan 8.240 nan 0.000 0.436 1084 D N 1.224 121.595 120.400 -0.048 0.000 2.108 1084 D HA -0.094 4.546 4.640 -0.000 0.000 0.190 1084 D C 2.164 178.327 176.300 -0.229 0.000 0.995 1084 D CA 1.371 55.315 54.000 -0.094 0.000 0.834 1084 D CB -0.450 40.358 40.800 0.013 0.000 0.967 1084 D HN 0.567 nan 8.370 nan 0.000 0.446 1085 I N -2.420 118.032 120.570 -0.197 0.000 2.277 1085 I HA -0.168 4.002 4.170 -0.000 0.000 0.243 1085 I C 1.912 177.833 176.117 -0.327 0.000 1.094 1085 I CA 1.082 62.233 61.300 -0.248 0.000 1.393 1085 I CB -0.794 37.069 38.000 -0.229 0.000 1.078 1085 I HN -0.013 nan 8.210 nan 0.000 0.417 1086 Y N 2.305 122.558 120.300 -0.078 0.000 2.293 1086 Y HA 0.035 4.585 4.550 -0.000 0.000 0.291 1086 Y C 2.855 178.653 175.900 -0.169 0.000 1.137 1086 Y CA 1.052 59.084 58.100 -0.113 0.000 1.202 1086 Y CB -0.610 37.742 38.460 -0.180 0.000 0.990 1086 Y HN 0.235 nan 8.280 nan 0.000 0.537 1087 G N -0.508 108.246 108.800 -0.077 0.000 2.422 1087 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.218 1087 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.218 1087 G C 1.480 176.286 174.900 -0.156 0.000 1.146 1087 G CA 0.979 46.009 45.100 -0.117 0.000 0.769 1087 G HN 0.279 nan 8.290 nan 0.000 0.547 1088 Q N 0.367 119.997 119.800 -0.283 0.000 2.083 1088 Q HA 0.241 4.581 4.340 -0.000 0.000 0.198 1088 Q C 2.751 178.716 176.000 -0.059 0.000 0.969 1088 Q CA 1.590 57.193 55.803 -0.334 0.000 0.838 1088 Q CB -0.508 27.674 28.738 -0.926 0.000 0.900 1088 Q HN 0.354 nan 8.270 nan 0.000 0.436 1089 A N -0.658 122.150 122.820 -0.021 0.000 1.933 1089 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 1089 A C 2.223 179.868 177.584 0.101 0.000 1.175 1089 A CA 1.625 53.714 52.037 0.087 0.000 0.628 1089 A CB -0.771 18.297 19.000 0.113 0.000 0.814 1089 A HN 0.268 nan 8.150 nan 0.000 0.444 1090 V N -1.533 118.428 119.914 0.077 0.000 2.427 1090 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 1090 V C 2.301 178.438 176.094 0.071 0.000 1.051 1090 V CA 1.971 64.312 62.300 0.067 0.000 1.048 1090 V CB -0.955 30.890 31.823 0.037 0.000 0.666 1090 V HN 0.721 nan 8.190 nan 0.000 0.456 1091 Y N 1.310 121.580 120.300 -0.049 0.000 2.128 1091 Y HA -0.230 4.320 4.550 -0.000 0.000 0.284 1091 Y C 2.634 178.530 175.900 -0.006 0.000 1.154 1091 Y CA 2.032 60.100 58.100 -0.053 0.000 1.149 1091 Y CB -0.101 38.265 38.460 -0.158 0.000 0.976 1091 Y HN 0.227 nan 8.280 nan 0.000 0.505 1092 E N 0.382 120.622 120.200 0.067 0.000 2.051 1092 E HA -0.222 4.128 4.350 -0.000 0.000 0.192 1092 E C 2.441 179.025 176.600 -0.026 0.000 0.991 1092 E CA 1.215 57.627 56.400 0.021 0.000 0.799 1092 E CB -0.873 28.907 29.700 0.134 0.000 0.748 1092 E HN 0.581 nan 8.360 nan 0.000 0.449 1093 A N 0.794 123.623 122.820 0.015 0.000 1.908 1093 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 1093 A C 2.641 180.217 177.584 -0.013 0.000 1.181 1093 A CA 1.561 53.608 52.037 0.017 0.000 0.627 1093 A CB -0.958 18.063 19.000 0.035 0.000 0.818 1093 A HN 0.355 nan 8.150 nan 0.000 0.445 1094 C N -0.884 118.384 119.300 -0.054 0.000 2.425 1094 C HA -0.083 4.377 4.460 -0.000 0.000 0.277 1094 C C 2.893 177.824 174.990 -0.098 0.000 1.280 1094 C CA 1.098 60.081 59.018 -0.059 0.000 1.744 1094 C CB -1.009 26.677 27.740 -0.089 0.000 1.989 1094 C HN 0.595 nan 8.230 nan 0.000 0.491 1095 Q N 0.267 119.942 119.800 -0.208 0.000 2.079 1095 Q HA -0.120 4.220 4.340 -0.000 0.000 0.200 1095 Q C 2.253 178.219 176.000 -0.056 0.000 0.974 1095 Q CA 1.826 57.523 55.803 -0.178 0.000 0.840 1095 Q CB -1.147 27.449 28.738 -0.236 0.000 0.898 1095 Q HN 0.627 nan 8.270 nan 0.000 0.430 1096 T N 1.955 116.492 114.554 -0.029 0.000 2.746 1096 T HA -0.095 4.255 4.350 -0.000 0.000 0.267 1096 T C 1.879 176.595 174.700 0.025 0.000 1.039 1096 T CA 0.811 62.916 62.100 0.007 0.000 1.142 1096 T CB -0.064 68.816 68.868 0.019 0.000 0.866 1096 T HN 0.103 nan 8.240 nan 0.000 0.444 1097 I N 1.171 121.764 120.570 0.038 0.000 2.179 1097 I HA -0.083 4.087 4.170 -0.000 0.000 0.242 1097 I C 2.381 178.548 176.117 0.084 0.000 1.088 1097 I CA 1.264 62.607 61.300 0.073 0.000 1.357 1097 I CB -1.333 36.744 38.000 0.128 0.000 1.051 1097 I HN 0.280 nan 8.210 nan 0.000 0.409 1098 L N 0.320 121.595 121.223 0.087 0.000 2.079 1098 L HA -0.242 4.097 4.340 -0.000 0.000 0.210 1098 L C 2.568 179.462 176.870 0.040 0.000 1.081 1098 L CA 1.459 56.351 54.840 0.086 0.000 0.752 1098 L CB -0.589 41.506 42.059 0.061 0.000 0.896 1098 L HN 0.244 nan 8.230 nan 0.000 0.433 1099 K N -0.105 120.311 120.400 0.026 0.000 2.057 1099 K HA -0.152 4.168 4.320 -0.000 0.000 0.207 1099 K C 2.211 178.831 176.600 0.034 0.000 1.049 1099 K CA 1.243 57.540 56.287 0.017 0.000 0.931 1099 K CB -0.149 32.359 32.500 0.013 0.000 0.714 1099 K HN 0.273 nan 8.250 nan 0.000 0.440 1100 R N 0.617 121.149 120.500 0.054 0.000 2.148 1100 R HA -0.020 4.320 4.340 -0.000 0.000 0.227 1100 R C 2.134 178.534 176.300 0.167 0.000 1.103 1100 R CA 0.860 57.015 56.100 0.093 0.000 0.983 1100 R CB -0.151 30.189 30.300 0.068 0.000 0.874 1100 R HN 0.184 nan 8.270 nan 0.000 0.451 1101 L N 0.175 121.461 121.223 0.105 0.000 2.375 1101 L HA -0.019 4.321 4.340 -0.000 0.000 0.215 1101 L C 2.212 179.133 176.870 0.084 0.000 1.108 1101 L CA 0.340 55.255 54.840 0.125 0.000 0.830 1101 L CB -0.236 41.823 42.059 -0.000 0.000 0.959 1101 L HN 0.080 nan 8.230 nan 0.000 0.457 1102 E N 0.808 121.002 120.200 -0.010 0.000 2.108 1102 E HA -0.231 4.119 4.350 -0.000 0.000 0.203 1102 E C -0.269 176.237 176.600 -0.156 0.000 1.022 1102 E CA 1.851 58.187 56.400 -0.108 0.000 0.823 1102 E CB -1.335 28.320 29.700 -0.075 0.000 0.744 1102 E HN 0.362 nan 8.360 nan 0.000 0.456 1103 P HA -0.141 nan 4.420 nan 0.000 0.215 1103 P C 1.226 178.261 177.300 -0.441 0.000 1.153 1103 P CA 1.266 64.152 63.100 -0.356 0.000 0.853 1103 P CB -0.222 31.163 31.700 -0.526 0.000 0.788 1104 F N -0.261 119.601 119.950 -0.146 0.000 2.293 1104 F HA 0.005 4.532 4.527 -0.000 0.000 0.297 1104 F C 2.401 178.030 175.800 -0.286 0.000 1.089 1104 F CA 0.995 58.922 58.000 -0.122 0.000 1.377 1104 F CB -0.784 38.192 39.000 -0.039 0.000 1.051 1104 F HN -0.164 nan 8.300 nan 0.000 0.511 1105 K N 1.256 121.380 120.400 -0.460 0.000 2.001 1105 K HA -0.167 4.153 4.320 -0.000 0.000 0.208 1105 K C 1.939 178.322 176.600 -0.362 0.000 1.048 1105 K CA 1.440 57.146 56.287 -0.968 0.000 0.932 1105 K CB -0.096 31.747 32.500 -1.096 0.000 0.715 1105 K HN 0.119 nan 8.250 nan 0.000 0.437 1106 K N 0.649 120.900 120.400 -0.249 0.000 2.152 1106 K HA -0.164 4.155 4.320 -0.000 0.000 0.206 1106 K C 2.130 178.685 176.600 -0.075 0.000 1.048 1106 K CA 1.385 57.592 56.287 -0.134 0.000 0.933 1106 K CB -0.024 32.399 32.500 -0.128 0.000 0.721 1106 K HN 0.115 nan 8.250 nan 0.000 0.447 1107 K N 0.659 121.011 120.400 -0.081 0.000 2.217 1107 K HA -0.096 4.224 4.320 -0.000 0.000 0.202 1107 K C 0.286 176.921 176.600 0.059 0.000 1.051 1107 K CA 0.929 57.200 56.287 -0.027 0.000 0.952 1107 K CB 0.203 32.669 32.500 -0.057 0.000 0.736 1107 K HN -0.030 nan 8.250 nan 0.000 0.453 1108 N N -0.259 118.516 118.700 0.124 0.000 2.697 1108 N HA 0.201 4.941 4.740 -0.000 0.000 0.253 1108 N C -2.539 173.194 175.510 0.371 0.000 1.604 1108 N CA -1.554 51.641 53.050 0.241 0.000 0.772 1108 N CB 1.264 39.942 38.487 0.319 0.000 1.267 1108 N HN -0.180 nan 8.380 nan 0.000 0.510 1109 P HA -0.122 nan 4.420 nan 0.000 0.217 1109 P C 0.197 177.701 177.300 0.340 0.000 1.151 1109 P CA 1.301 64.544 63.100 0.239 0.000 0.849 1109 P CB 0.276 32.049 31.700 0.120 0.000 0.787 1110 D N -1.438 119.111 120.400 0.249 0.000 2.340 1110 D HA 0.089 4.729 4.640 -0.000 0.000 0.220 1110 D C 1.357 177.737 176.300 0.133 0.000 1.039 1110 D CA 0.350 54.457 54.000 0.179 0.000 0.866 1110 D CB -0.165 40.700 40.800 0.107 0.000 0.913 1110 D HN 0.126 nan 8.370 nan 0.000 0.523 1111 G N 0.630 109.545 108.800 0.192 0.000 2.611 1111 G HA2 0.305 4.265 3.960 -0.000 0.000 0.273 1111 G HA3 0.305 4.265 3.960 -0.000 0.000 0.273 1111 G C 0.336 174.933 174.900 -0.505 0.000 1.305 1111 G CA -0.251 44.795 45.100 -0.089 0.000 1.010 1111 G HN 0.187 nan 8.290 nan 0.000 0.509 1112 S N -1.411 113.880 115.700 -0.682 0.000 2.722 1112 S HA 0.242 4.712 4.470 -0.000 0.000 0.292 1112 S C 0.972 174.926 174.600 -1.078 0.000 1.135 1112 S CA -0.568 57.211 58.200 -0.702 0.000 1.003 1112 S CB 1.351 64.371 63.200 -0.299 0.000 1.067 1112 S HN 0.811 nan 8.310 nan 0.000 0.546 1113 W N 1.350 122.193 121.300 -0.762 0.000 2.338 1113 W HA -0.178 4.482 4.660 -0.000 0.000 0.304 1113 W C 1.029 177.423 176.519 -0.208 0.000 1.212 1113 W CA 2.235 59.360 57.345 -0.366 0.000 1.264 1113 W CB -0.502 28.904 29.460 -0.089 0.000 1.142 1113 W HN 0.831 nan 8.180 nan 0.000 0.512 1114 E N 0.883 121.003 120.200 -0.133 0.000 2.077 1114 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 1114 E C 1.707 178.175 176.600 -0.220 0.000 0.989 1114 E CA 2.045 58.352 56.400 -0.155 0.000 0.800 1114 E CB -0.718 28.957 29.700 -0.041 0.000 0.746 1114 E HN 0.207 nan 8.360 nan 0.000 0.452 1115 D N -0.463 119.772 120.400 -0.275 0.000 2.097 1115 D HA -0.159 4.481 4.640 -0.000 0.000 0.195 1115 D C 1.717 177.965 176.300 -0.087 0.000 0.989 1115 D CA 0.843 54.729 54.000 -0.189 0.000 0.827 1115 D CB -0.311 40.358 40.800 -0.219 0.000 0.966 1115 D HN 0.284 nan 8.370 nan 0.000 0.456 1116 W N 1.254 122.477 121.300 -0.128 0.000 2.358 1116 W HA -0.082 4.578 4.660 -0.000 0.000 0.303 1116 W C 2.395 178.682 176.519 -0.385 0.000 1.208 1116 W CA 0.110 57.349 57.345 -0.178 0.000 1.274 1116 W CB -1.382 27.995 29.460 -0.139 0.000 1.138 1116 W HN -0.127 nan 8.180 nan 0.000 0.515 1117 V N 0.707 120.446 119.914 -0.291 0.000 2.295 1117 V HA -0.334 3.786 4.120 -0.000 0.000 0.246 1117 V C 2.293 178.245 176.094 -0.236 0.000 1.049 1117 V CA 2.303 64.367 62.300 -0.393 0.000 1.024 1117 V CB -0.937 30.571 31.823 -0.525 0.000 0.648 1117 V HN 0.054 nan 8.190 nan 0.000 0.447 1118 M N 0.772 120.279 119.600 -0.154 0.000 2.175 1118 M HA -0.029 4.451 4.480 -0.000 0.000 0.264 1118 M C 2.022 178.292 176.300 -0.049 0.000 1.063 1118 M CA 2.060 57.333 55.300 -0.045 0.000 1.119 1118 M CB -0.805 31.780 32.600 -0.025 0.000 1.377 1118 M HN 0.250 nan 8.290 nan 0.000 0.415 1119 A N -0.285 122.468 122.820 -0.113 0.000 1.902 1119 A HA 0.052 4.372 4.320 -0.000 0.000 0.217 1119 A C 2.372 179.681 177.584 -0.459 0.000 1.181 1119 A CA 2.032 54.000 52.037 -0.114 0.000 0.623 1119 A CB -1.409 17.643 19.000 0.087 0.000 0.818 1119 A HN 0.627 nan 8.150 nan 0.000 0.443 1120 A N -1.388 120.869 122.820 -0.939 0.000 1.902 1120 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 1120 A C 2.145 179.485 177.584 -0.407 0.000 1.181 1120 A CA 1.689 52.998 52.037 -1.212 0.000 0.623 1120 A CB -0.830 17.584 19.000 -0.977 0.000 0.818 1120 A HN 0.760 nan 8.150 nan 0.000 0.443 1121 Y N 0.697 120.808 120.300 -0.316 0.000 2.114 1121 Y HA -0.235 4.315 4.550 -0.000 0.000 0.284 1121 Y C 2.372 178.209 175.900 -0.105 0.000 1.143 1121 Y CA 2.295 60.294 58.100 -0.167 0.000 1.135 1121 Y CB -0.602 37.781 38.460 -0.129 0.000 0.980 1121 Y HN 0.429 nan 8.280 nan 0.000 0.499 1122 Q N -0.816 118.803 119.800 -0.302 0.000 2.364 1122 Q HA -0.173 4.167 4.340 -0.000 0.000 0.209 1122 Q C 0.856 176.741 176.000 -0.192 0.000 0.977 1122 Q CA 1.397 57.018 55.803 -0.303 0.000 0.885 1122 Q CB -0.127 28.561 28.738 -0.085 0.000 0.941 1122 Q HN 0.483 nan 8.270 nan 0.000 0.464 1123 D N -0.106 120.225 120.400 -0.115 0.000 2.342 1123 D HA 0.056 4.696 4.640 -0.000 0.000 0.221 1123 D C -0.589 175.697 176.300 -0.023 0.000 1.101 1123 D CA -0.108 53.907 54.000 0.025 0.000 0.837 1123 D CB 0.155 41.138 40.800 0.303 0.000 0.938 1123 D HN 0.003 nan 8.370 nan 0.000 0.508 1124 R N -0.616 119.793 120.500 -0.152 0.000 3.264 1124 R HA -0.130 4.210 4.340 -0.000 0.000 0.251 1124 R C -0.995 175.279 176.300 -0.044 0.000 0.971 1124 R CA 0.092 56.110 56.100 -0.137 0.000 0.658 1124 R CB -2.130 28.106 30.300 -0.107 0.000 1.095 1124 R HN 0.038 nan 8.270 nan 0.000 0.443 1125 V N 0.699 120.593 119.914 -0.034 0.000 2.435 1125 V HA 0.223 4.342 4.120 -0.000 0.000 0.290 1125 V C 0.800 176.895 176.094 0.001 0.000 1.030 1125 V CA -0.467 61.841 62.300 0.014 0.000 0.881 1125 V CB 1.901 33.757 31.823 0.056 0.000 0.983 1125 V HN 0.386 nan 8.190 nan 0.000 0.445 1126 S N 4.558 120.269 115.700 0.018 0.000 2.537 1126 S HA 0.258 4.728 4.470 -0.000 0.000 0.286 1126 S C 0.351 174.961 174.600 0.015 0.000 1.299 1126 S CA -0.203 58.011 58.200 0.023 0.000 1.067 1126 S CB 0.044 63.260 63.200 0.027 0.000 0.864 1126 S HN 0.596 nan 8.310 nan 0.000 0.494 1127 L N 4.252 125.482 121.223 0.011 0.000 2.984 1127 L HA 0.341 4.681 4.340 -0.000 0.000 0.246 1127 L C 0.416 177.298 176.870 0.020 0.000 1.268 1127 L CA -0.223 54.613 54.840 -0.007 0.000 1.054 1127 L CB 0.370 42.402 42.059 -0.046 0.000 1.393 1127 L HN 0.553 nan 8.230 nan 0.000 0.532 1128 S N -0.577 115.157 115.700 0.056 0.000 2.547 1128 S HA 0.735 5.205 4.470 -0.000 0.000 0.281 1128 S C -0.652 174.000 174.600 0.086 0.000 1.118 1128 S CA -0.283 57.999 58.200 0.136 0.000 0.947 1128 S CB 2.112 65.435 63.200 0.204 0.000 1.053 1128 S HN 0.116 nan 8.310 nan 0.000 0.482 1129 T N 1.714 116.303 114.554 0.059 0.000 2.802 1129 T HA 0.646 4.996 4.350 -0.000 0.000 0.311 1129 T C -0.743 173.971 174.700 0.024 0.000 1.405 1129 T CA -0.229 61.896 62.100 0.041 0.000 1.016 1129 T CB 1.369 70.259 68.868 0.037 0.000 1.352 1129 T HN 0.896 nan 8.240 nan 0.000 0.498 1130 T N -0.015 114.564 114.554 0.042 0.000 2.944 1130 T HA 0.832 5.182 4.350 -0.000 0.000 0.284 1130 T C 0.339 175.093 174.700 0.090 0.000 1.010 1130 T CA -0.470 61.667 62.100 0.061 0.000 1.025 1130 T CB 1.431 70.340 68.868 0.068 0.000 1.079 1130 T HN 0.983 nan 8.240 nan 0.000 0.516 1131 G N -0.027 108.856 108.800 0.139 0.000 2.620 1131 G HA2 0.646 4.606 3.960 -0.000 0.000 0.301 1131 G HA3 0.646 4.606 3.960 -0.000 0.000 0.301 1131 G C -2.116 172.958 174.900 0.290 0.000 1.347 1131 G CA -0.767 44.436 45.100 0.171 0.000 0.971 1131 G HN 0.698 nan 8.290 nan 0.000 0.488 1132 F N 1.078 121.087 119.950 0.100 0.000 2.631 1132 F HA 0.758 5.285 4.527 -0.000 0.000 0.308 1132 F C -1.783 174.117 175.800 0.167 0.000 1.097 1132 F CA -1.122 56.943 58.000 0.109 0.000 0.952 1132 F CB 2.410 41.448 39.000 0.063 0.000 1.307 1132 F HN 0.583 nan 8.300 nan 0.000 0.450 1133 Y N 4.203 124.116 120.300 -0.644 0.000 2.544 1133 Y HA 0.668 5.217 4.550 -0.000 0.000 0.342 1133 Y C -1.630 173.918 175.900 -0.587 0.000 1.062 1133 Y CA -1.126 56.727 58.100 -0.410 0.000 1.023 1133 Y CB 1.616 39.906 38.460 -0.283 0.000 1.308 1133 Y HN 0.731 nan 8.280 nan 0.000 0.457 1134 R N 3.184 122.949 120.500 -1.226 0.000 2.515 1134 R HA 0.434 4.774 4.340 -0.000 0.000 0.291 1134 R C -1.509 174.075 176.300 -1.193 0.000 1.046 1134 R CA -0.496 55.072 56.100 -0.888 0.000 0.914 1134 R CB 1.540 31.642 30.300 -0.330 0.000 1.191 1134 R HN 0.802 nan 8.270 nan 0.000 0.435 1135 T N 7.162 121.214 114.554 -0.836 0.000 2.784 1135 T HA 0.161 4.511 4.350 -0.000 0.000 0.291 1135 T C -2.055 172.424 174.700 -0.369 0.000 0.942 1135 T CA -0.611 61.140 62.100 -0.581 0.000 1.161 1135 T CB 0.676 69.334 68.868 -0.351 0.000 0.885 1135 T HN 0.455 nan 8.240 nan 0.000 0.534 1136 P HA 0.164 nan 4.420 nan 0.000 0.274 1136 P C -0.298 177.002 177.300 0.000 0.000 1.237 1136 P CA -0.515 62.529 63.100 -0.092 0.000 0.793 1136 P CB 0.478 32.173 31.700 -0.008 0.000 0.977 1137 N N -0.298 118.411 118.700 0.016 0.000 2.696 1137 N HA -0.156 4.584 4.740 -0.000 0.000 0.256 1137 N C -0.768 174.762 175.510 0.034 0.000 1.031 1137 N CA 0.866 53.940 53.050 0.040 0.000 0.730 1137 N CB -1.662 36.872 38.487 0.078 0.000 0.894 1137 N HN 0.475 nan 8.380 nan 0.000 0.544 1138 L N -0.596 120.624 121.223 -0.006 0.000 2.381 1138 L HA 0.767 5.107 4.340 -0.000 0.000 0.268 1138 L C 0.782 177.636 176.870 -0.026 0.000 0.997 1138 L CA -0.688 54.133 54.840 -0.030 0.000 0.818 1138 L CB 2.214 44.237 42.059 -0.060 0.000 1.310 1138 L HN 0.314 nan 8.230 nan 0.000 0.416 1139 G N 1.776 110.558 108.800 -0.030 0.000 3.112 1139 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.234 1139 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.234 1139 G C -1.605 173.300 174.900 0.009 0.000 3.847 1139 G CA -0.671 44.425 45.100 -0.006 0.000 0.449 1139 G HN 0.400 nan 8.290 nan 0.000 0.332 1140 Y N 1.826 122.052 120.300 -0.124 0.000 2.307 1140 Y HA 0.761 5.311 4.550 -0.000 0.000 0.324 1140 Y C 0.251 176.121 175.900 -0.050 0.000 1.238 1140 Y CA -0.306 57.714 58.100 -0.134 0.000 1.280 1140 Y CB 2.046 40.338 38.460 -0.280 0.000 1.248 1140 Y HN 0.491 nan 8.280 nan 0.000 0.508 1141 S N 4.827 119.928 115.700 -0.999 0.000 2.532 1141 S HA 0.361 4.831 4.470 -0.000 0.000 0.299 1141 S C -0.114 173.915 174.600 -0.952 0.000 1.105 1141 S CA -0.668 57.155 58.200 -0.628 0.000 1.018 1141 S CB 0.259 63.277 63.200 -0.305 0.000 1.021 1141 S HN 0.703 nan 8.310 nan 0.000 0.483 1142 F N 2.225 121.954 119.950 -0.369 0.000 2.456 1142 F HA 0.148 4.675 4.527 -0.000 0.000 0.298 1142 F C 2.393 178.140 175.800 -0.089 0.000 1.104 1142 F CA 0.511 58.444 58.000 -0.113 0.000 1.435 1142 F CB 0.194 39.229 39.000 0.059 0.000 1.078 1142 F HN 0.578 nan 8.300 nan 0.000 0.546 1143 E N -0.277 119.949 120.200 0.044 0.000 2.046 1143 E HA -0.134 4.216 4.350 -0.000 0.000 0.190 1143 E C 2.318 178.907 176.600 -0.019 0.000 0.982 1143 E CA 1.956 58.372 56.400 0.026 0.000 0.800 1143 E CB -0.558 29.150 29.700 0.013 0.000 0.756 1143 E HN 0.392 nan 8.360 nan 0.000 0.449 1144 T N -2.313 112.185 114.554 -0.092 0.000 3.060 1144 T HA 0.029 4.379 4.350 -0.000 0.000 0.249 1144 T C 0.706 175.349 174.700 -0.095 0.000 1.079 1144 T CA 0.415 62.466 62.100 -0.081 0.000 1.013 1144 T CB -0.321 68.493 68.868 -0.090 0.000 0.975 1144 T HN 0.260 nan 8.240 nan 0.000 0.518 1145 N N 1.194 119.784 118.700 -0.184 0.000 2.705 1145 N HA -0.219 4.520 4.740 -0.000 0.000 0.255 1145 N C -0.562 174.950 175.510 0.004 0.000 1.008 1145 N CA 0.345 53.350 53.050 -0.074 0.000 0.742 1145 N CB -1.021 37.523 38.487 0.095 0.000 0.906 1145 N HN 0.821 nan 8.380 nan 0.000 0.541 1146 S N -0.747 114.855 115.700 -0.163 0.000 2.625 1146 S HA 0.865 5.334 4.470 -0.000 0.000 0.271 1146 S C -0.009 174.572 174.600 -0.033 0.000 1.161 1146 S CA -0.121 58.070 58.200 -0.015 0.000 0.820 1146 S CB 2.004 65.184 63.200 -0.033 0.000 1.137 1146 S HN 1.147 nan 8.310 nan 0.000 0.470 1147 G N 1.191 110.023 108.800 0.053 0.000 2.697 1147 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.686 1147 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.686 1147 G C -1.401 173.567 174.900 0.113 0.000 1.179 1147 G CA -1.107 44.021 45.100 0.048 0.000 0.765 1147 G HN 0.855 nan 8.290 nan 0.000 0.649 1148 N N 0.572 119.298 118.700 0.043 0.000 2.452 1148 N HA 0.407 5.147 4.740 -0.000 0.000 0.266 1148 N C 1.242 176.660 175.510 -0.154 0.000 1.175 1148 N CA 0.556 53.605 53.050 -0.002 0.000 0.945 1148 N CB 1.600 40.097 38.487 0.018 0.000 1.063 1148 N HN 1.014 nan 8.380 nan 0.000 0.472 1149 A N 2.880 125.443 122.820 -0.427 0.000 2.030 1149 A HA 0.195 4.515 4.320 -0.000 0.000 0.215 1149 A C 0.107 176.921 177.584 -1.284 0.000 1.164 1149 A CA 0.758 52.144 52.037 -1.085 0.000 0.697 1149 A CB 0.119 17.767 19.000 -2.253 0.000 0.827 1149 A HN 0.561 nan 8.150 nan 0.000 0.457 1150 F N -3.912 115.817 119.950 -0.369 0.000 2.620 1150 F HA 0.485 5.012 4.527 -0.000 0.000 0.320 1150 F C 0.955 176.626 175.800 -0.216 0.000 1.069 1150 F CA -0.764 56.983 58.000 -0.421 0.000 0.953 1150 F CB 1.045 39.553 39.000 -0.819 0.000 1.322 1150 F HN 0.072 nan 8.300 nan 0.000 0.479 1151 H N 0.006 119.011 119.070 -0.108 0.000 2.482 1151 H HA 0.130 4.686 4.556 -0.000 0.000 0.286 1151 H C -0.978 174.449 175.328 0.164 0.000 1.017 1151 H CA 1.200 57.266 56.048 0.030 0.000 1.322 1151 H CB 0.214 30.036 29.762 0.100 0.000 1.426 1151 H HN 0.519 nan 8.280 nan 0.000 0.546 1152 Y N -4.504 115.730 120.300 -0.111 0.000 2.960 1152 Y HA 0.388 4.938 4.550 -0.000 0.000 0.361 1152 Y C -2.042 173.646 175.900 -0.353 0.000 1.318 1152 Y CA -2.055 55.984 58.100 -0.101 0.000 1.103 1152 Y CB 0.374 38.799 38.460 -0.058 0.000 1.650 1152 Y HN -0.208 nan 8.280 nan 0.000 0.436 1153 F N 0.213 120.179 119.950 0.026 0.000 2.563 1153 F HA 0.735 5.262 4.527 -0.000 0.000 0.316 1153 F C -0.149 175.411 175.800 -0.401 0.000 1.076 1153 F CA -0.929 56.863 58.000 -0.346 0.000 0.921 1153 F CB 2.582 41.264 39.000 -0.531 0.000 1.209 1153 F HN 0.517 nan 8.300 nan 0.000 0.462 1154 T N 1.929 116.352 114.554 -0.217 0.000 2.824 1154 T HA 0.573 4.923 4.350 -0.000 0.000 0.280 1154 T C -1.189 173.354 174.700 -0.263 0.000 0.995 1154 T CA -0.432 61.606 62.100 -0.104 0.000 1.009 1154 T CB 0.520 69.423 68.868 0.058 0.000 0.955 1154 T HN 0.303 nan 8.240 nan 0.000 0.452 1155 Y N 0.235 120.627 120.300 0.154 0.000 2.598 1155 Y HA 0.782 5.331 4.550 -0.000 0.000 0.340 1155 Y C 0.685 176.637 175.900 0.087 0.000 1.038 1155 Y CA -0.930 57.228 58.100 0.096 0.000 1.100 1155 Y CB 2.436 40.877 38.460 -0.031 0.000 1.281 1155 Y HN 0.905 nan 8.280 nan 0.000 0.488 1156 G N -0.193 108.771 108.800 0.274 0.000 2.547 1156 G HA2 0.547 4.507 3.960 -0.000 0.000 0.291 1156 G HA3 0.547 4.507 3.960 -0.000 0.000 0.291 1156 G C -2.444 172.581 174.900 0.208 0.000 1.471 1156 G CA -0.690 44.531 45.100 0.201 0.000 0.798 1156 G HN 0.489 nan 8.290 nan 0.000 0.504 1157 V N -0.298 119.717 119.914 0.170 0.000 2.841 1157 V HA 0.912 5.032 4.120 -0.000 0.000 0.310 1157 V C -0.034 176.122 176.094 0.103 0.000 1.090 1157 V CA -0.267 62.137 62.300 0.173 0.000 0.930 1157 V CB 1.773 33.703 31.823 0.178 0.000 1.014 1157 V HN 1.776 nan 8.190 nan 0.000 0.425 1158 A N 2.334 125.213 122.820 0.097 0.000 2.427 1158 A HA 0.747 5.066 4.320 -0.000 0.000 0.298 1158 A C -1.021 176.586 177.584 0.038 0.000 1.036 1158 A CA -0.436 51.645 52.037 0.073 0.000 0.701 1158 A CB 1.633 20.738 19.000 0.175 0.000 1.250 1158 A HN 1.106 nan 8.150 nan 0.000 0.412 1159 C N 2.162 121.463 119.300 0.002 0.000 2.345 1159 C HA 0.864 5.324 4.460 -0.000 0.000 0.323 1159 C C -0.091 174.926 174.990 0.045 0.000 1.276 1159 C CA -0.048 58.974 59.018 0.007 0.000 1.543 1159 C CB 0.100 27.819 27.740 -0.034 0.000 2.211 1159 C HN 0.850 nan 8.230 nan 0.000 0.493 1160 S N 3.726 119.475 115.700 0.081 0.000 2.542 1160 S HA 0.598 5.068 4.470 -0.000 0.000 0.293 1160 S C -1.260 173.374 174.600 0.057 0.000 1.089 1160 S CA -0.473 57.776 58.200 0.082 0.000 0.961 1160 S CB 1.725 65.018 63.200 0.155 0.000 1.062 1160 S HN 0.883 nan 8.310 nan 0.000 0.483 1161 E N 1.550 121.766 120.200 0.028 0.000 2.238 1161 E HA 0.684 5.034 4.350 -0.000 0.000 0.267 1161 E C -1.290 175.317 176.600 0.010 0.000 0.887 1161 E CA -0.795 55.603 56.400 -0.003 0.000 0.769 1161 E CB 1.569 31.240 29.700 -0.048 0.000 1.187 1161 E HN 0.516 nan 8.360 nan 0.000 0.416 1162 V N 0.290 120.209 119.914 0.008 0.000 3.130 1162 V HA 0.664 4.784 4.120 -0.000 0.000 0.310 1162 V C -1.042 175.056 176.094 0.006 0.000 1.158 1162 V CA -0.841 61.490 62.300 0.052 0.000 1.029 1162 V CB 1.896 33.785 31.823 0.109 0.000 1.057 1162 V HN 0.806 nan 8.190 nan 0.000 0.436 1163 E N 1.965 122.197 120.200 0.052 0.000 2.218 1163 E HA 0.622 4.972 4.350 -0.000 0.000 0.263 1163 E C -1.065 175.620 176.600 0.141 0.000 0.879 1163 E CA -0.871 55.545 56.400 0.026 0.000 0.762 1163 E CB 1.971 31.645 29.700 -0.045 0.000 1.166 1163 E HN 0.929 nan 8.360 nan 0.000 0.415 1164 I N 0.661 121.316 120.570 0.142 0.000 2.577 1164 I HA 0.535 4.705 4.170 -0.000 0.000 0.305 1164 I C -0.346 175.881 176.117 0.184 0.000 0.986 1164 I CA -0.848 60.551 61.300 0.166 0.000 1.189 1164 I CB 1.711 39.768 38.000 0.096 0.000 1.355 1164 I HN 0.352 nan 8.210 nan 0.000 0.476 1165 D N 4.570 125.078 120.400 0.180 0.000 2.359 1165 D HA 0.255 4.895 4.640 -0.000 0.000 0.230 1165 D C 0.523 176.930 176.300 0.177 0.000 1.118 1165 D CA -0.454 53.657 54.000 0.184 0.000 0.844 1165 D CB 1.578 42.472 40.800 0.158 0.000 1.059 1165 D HN 0.754 nan 8.370 nan 0.000 0.493 1166 C N 3.416 122.848 119.300 0.220 0.000 2.449 1166 C HA 0.009 4.469 4.460 -0.000 0.000 0.283 1166 C C 2.450 177.582 174.990 0.237 0.000 1.453 1166 C CA 0.009 59.167 59.018 0.234 0.000 1.779 1166 C CB -0.889 27.033 27.740 0.303 0.000 1.779 1166 C HN 0.650 nan 8.230 nan 0.000 0.546 1167 L N 0.673 122.014 121.223 0.196 0.000 2.477 1167 L HA 0.031 4.371 4.340 -0.000 0.000 0.220 1167 L C 2.484 179.369 176.870 0.026 0.000 1.106 1167 L CA 1.531 56.415 54.840 0.073 0.000 0.851 1167 L CB -0.256 41.787 42.059 -0.027 0.000 0.994 1167 L HN 0.518 nan 8.230 nan 0.000 0.462 1168 T N -6.119 108.489 114.554 0.090 0.000 2.966 1168 T HA 0.304 4.654 4.350 -0.000 0.000 0.254 1168 T C 1.402 176.239 174.700 0.228 0.000 0.961 1168 T CA 0.608 62.774 62.100 0.112 0.000 0.915 1168 T CB 1.170 70.111 68.868 0.120 0.000 1.186 1168 T HN 0.251 nan 8.240 nan 0.000 0.505 1169 G N 1.464 110.366 108.800 0.170 0.000 2.213 1169 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.236 1169 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.236 1169 G C -0.154 174.813 174.900 0.112 0.000 0.991 1169 G CA 0.146 45.314 45.100 0.114 0.000 0.629 1169 G HN 0.845 nan 8.290 nan 0.000 0.517 1170 D N 1.216 121.690 120.400 0.123 0.000 2.360 1170 D HA 0.523 5.163 4.640 -0.000 0.000 0.242 1170 D C 0.563 176.974 176.300 0.184 0.000 1.184 1170 D CA 0.591 54.649 54.000 0.097 0.000 0.930 1170 D CB 0.280 41.087 40.800 0.010 0.000 1.161 1170 D HN 0.648 nan 8.370 nan 0.000 0.447 1171 H N -0.970 118.119 119.070 0.033 0.000 3.042 1171 H HA 0.418 4.974 4.556 -0.000 0.000 0.346 1171 H C -1.346 174.037 175.328 0.092 0.000 1.294 1171 H CA -0.961 55.124 56.048 0.061 0.000 1.141 1171 H CB 0.559 30.333 29.762 0.020 0.000 1.872 1171 H HN 0.305 nan 8.280 nan 0.000 0.541 1172 K N 1.385 121.811 120.400 0.044 0.000 2.203 1172 K HA 0.309 4.628 4.320 -0.000 0.000 0.251 1172 K C -0.556 176.091 176.600 0.078 0.000 0.944 1172 K CA -1.072 55.232 56.287 0.029 0.000 0.829 1172 K CB 1.315 33.908 32.500 0.156 0.000 1.125 1172 K HN 0.443 nan 8.250 nan 0.000 0.430 1173 N N 3.670 122.394 118.700 0.040 0.000 2.678 1173 N HA 0.133 4.873 4.740 -0.000 0.000 0.231 1173 N C 0.817 176.361 175.510 0.057 0.000 1.038 1173 N CA -0.006 53.091 53.050 0.079 0.000 0.932 1173 N CB 0.677 39.196 38.487 0.054 0.000 1.176 1173 N HN 0.449 nan 8.380 nan 0.000 0.511 1174 L N 0.621 121.873 121.223 0.047 0.000 1.994 1174 L HA -0.002 4.337 4.340 -0.000 0.000 0.208 1174 L C 1.141 178.012 176.870 0.002 0.000 1.071 1174 L CA 1.192 56.042 54.840 0.017 0.000 0.745 1174 L CB -0.000 42.023 42.059 -0.059 0.000 0.892 1174 L HN 0.373 nan 8.230 nan 0.000 0.431 1175 R N -1.299 119.195 120.500 -0.010 0.000 2.629 1175 R HA 0.393 4.733 4.340 -0.000 0.000 0.266 1175 R C -1.700 174.589 176.300 -0.018 0.000 1.051 1175 R CA -0.370 55.723 56.100 -0.011 0.000 0.895 1175 R CB 2.103 32.396 30.300 -0.013 0.000 1.246 1175 R HN -0.214 nan 8.270 nan 0.000 0.459 1176 T N 2.364 116.900 114.554 -0.029 0.000 2.971 1176 T HA 0.323 4.673 4.350 -0.000 0.000 0.304 1176 T C -1.770 172.941 174.700 0.018 0.000 1.038 1176 T CA -0.615 61.453 62.100 -0.053 0.000 1.007 1176 T CB 1.576 70.288 68.868 -0.259 0.000 1.055 1176 T HN 0.557 nan 8.240 nan 0.000 0.451 1177 D N 2.182 122.577 120.400 -0.007 0.000 2.391 1177 D HA 0.632 5.272 4.640 -0.000 0.000 0.245 1177 D C -0.556 175.728 176.300 -0.027 0.000 1.069 1177 D CA -0.364 53.634 54.000 -0.003 0.000 0.831 1177 D CB 1.550 42.340 40.800 -0.016 0.000 1.204 1177 D HN 0.355 nan 8.370 nan 0.000 0.503 1178 I N 1.900 122.453 120.570 -0.028 0.000 2.582 1178 I HA 0.428 4.598 4.170 -0.000 0.000 0.292 1178 I C -0.957 175.157 176.117 -0.005 0.000 1.066 1178 I CA -1.124 60.163 61.300 -0.021 0.000 1.053 1178 I CB 2.185 40.157 38.000 -0.046 0.000 1.241 1178 I HN 0.046 nan 8.210 nan 0.000 0.421 1179 V N 6.245 126.172 119.914 0.021 0.000 2.376 1179 V HA 0.447 4.567 4.120 -0.000 0.000 0.287 1179 V C -0.391 175.741 176.094 0.063 0.000 1.015 1179 V CA -0.415 61.904 62.300 0.032 0.000 0.834 1179 V CB 1.641 33.481 31.823 0.028 0.000 1.001 1179 V HN 0.644 nan 8.190 nan 0.000 0.428 1180 M N 4.008 123.644 119.600 0.061 0.000 2.383 1180 M HA 0.522 5.001 4.480 -0.000 0.000 0.325 1180 M C -0.776 175.576 176.300 0.086 0.000 1.092 1180 M CA -0.429 54.920 55.300 0.083 0.000 0.961 1180 M CB 1.670 34.310 32.600 0.067 0.000 1.672 1180 M HN 0.659 nan 8.290 nan 0.000 0.438 1181 D N 3.573 124.045 120.400 0.119 0.000 2.456 1181 D HA 0.322 4.962 4.640 -0.000 0.000 0.219 1181 D C 0.040 176.410 176.300 0.116 0.000 1.126 1181 D CA -0.355 53.719 54.000 0.124 0.000 0.890 1181 D CB 0.612 41.521 40.800 0.182 0.000 1.025 1181 D HN 0.407 nan 8.370 nan 0.000 0.511 1182 V N 2.035 121.996 119.914 0.079 0.000 3.043 1182 V HA 0.604 4.723 4.120 -0.000 0.000 0.357 1182 V C 1.202 177.321 176.094 0.041 0.000 1.372 1182 V CA 0.222 62.560 62.300 0.064 0.000 1.214 1182 V CB -0.407 31.441 31.823 0.041 0.000 1.224 1182 V HN 0.654 nan 8.190 nan 0.000 0.507 1183 G N 1.560 110.385 108.800 0.042 0.000 2.582 1183 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.288 1183 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.288 1183 G C 0.136 175.045 174.900 0.015 0.000 1.247 1183 G CA 0.159 45.267 45.100 0.012 0.000 0.972 1183 G HN 1.014 nan 8.290 nan 0.000 0.557 1184 S N 0.583 116.285 115.700 0.004 0.000 2.681 1184 S HA 0.511 4.981 4.470 -0.000 0.000 0.313 1184 S C 0.597 175.207 174.600 0.017 0.000 1.137 1184 S CA 0.641 58.849 58.200 0.015 0.000 1.045 1184 S CB 0.942 64.149 63.200 0.012 0.000 1.208 1184 S HN 1.219 nan 8.310 nan 0.000 0.523 1185 S N 3.080 118.791 115.700 0.018 0.000 2.558 1185 S HA 0.098 4.568 4.470 -0.000 0.000 0.293 1185 S C 1.238 175.840 174.600 0.002 0.000 1.292 1185 S CA -0.419 57.784 58.200 0.005 0.000 1.063 1185 S CB 0.107 63.301 63.200 -0.009 0.000 0.831 1185 S HN 0.662 nan 8.310 nan 0.000 0.499 1186 L N 3.218 124.441 121.223 0.000 0.000 2.341 1186 L HA 0.203 4.543 4.340 -0.000 0.000 0.214 1186 L C 1.050 177.905 176.870 -0.025 0.000 1.115 1186 L CA 0.336 55.179 54.840 0.006 0.000 0.820 1186 L CB -0.197 41.879 42.059 0.029 0.000 0.944 1186 L HN 0.631 nan 8.230 nan 0.000 0.452 1187 N N -0.524 118.144 118.700 -0.053 0.000 2.747 1187 N HA 0.110 4.850 4.740 -0.000 0.000 0.262 1187 N C -2.285 173.128 175.510 -0.163 0.000 1.261 1187 N CA -1.004 51.988 53.050 -0.097 0.000 0.809 1187 N CB 1.608 40.044 38.487 -0.086 0.000 1.450 1187 N HN -0.253 nan 8.380 nan 0.000 0.560 1188 P HA -0.092 nan 4.420 nan 0.000 0.219 1188 P C 1.035 178.055 177.300 -0.467 0.000 1.146 1188 P CA 0.873 63.755 63.100 -0.363 0.000 0.808 1188 P CB 0.456 31.813 31.700 -0.571 0.000 0.779 1189 A N 0.308 122.822 122.820 -0.510 0.000 1.873 1189 A HA -0.114 4.206 4.320 -0.000 0.000 0.215 1189 A C 2.255 179.594 177.584 -0.408 0.000 1.186 1189 A CA 1.254 52.917 52.037 -0.625 0.000 0.616 1189 A CB -1.237 17.124 19.000 -1.064 0.000 0.823 1189 A HN 0.013 nan 8.150 nan 0.000 0.442 1190 I N 0.642 121.049 120.570 -0.272 0.000 2.252 1190 I HA -0.168 4.002 4.170 -0.000 0.000 0.245 1190 I C 1.653 177.707 176.117 -0.105 0.000 1.102 1190 I CA 1.471 62.691 61.300 -0.135 0.000 1.385 1190 I CB -1.480 36.471 38.000 -0.082 0.000 1.064 1190 I HN 0.268 nan 8.210 nan 0.000 0.414 1191 D N 0.744 121.072 120.400 -0.121 0.000 2.144 1191 D HA -0.077 4.563 4.640 -0.000 0.000 0.200 1191 D C 2.376 178.626 176.300 -0.083 0.000 0.978 1191 D CA 0.974 54.925 54.000 -0.081 0.000 0.833 1191 D CB -0.051 40.707 40.800 -0.069 0.000 0.961 1191 D HN 0.295 nan 8.370 nan 0.000 0.470 1192 I N 0.821 121.310 120.570 -0.135 0.000 2.394 1192 I HA -0.136 4.034 4.170 -0.000 0.000 0.251 1192 I C 2.418 178.475 176.117 -0.101 0.000 1.136 1192 I CA 1.076 62.300 61.300 -0.127 0.000 1.425 1192 I CB -0.290 37.606 38.000 -0.173 0.000 1.079 1192 I HN 0.014 nan 8.210 nan 0.000 0.425 1193 G N -0.085 108.658 108.800 -0.094 0.000 2.422 1193 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.218 1193 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.218 1193 G C 1.586 176.486 174.900 0.000 0.000 1.146 1193 G CA 0.289 45.364 45.100 -0.043 0.000 0.769 1193 G HN 0.276 nan 8.290 nan 0.000 0.547 1194 Q N 0.130 119.930 119.800 -0.000 0.000 2.123 1194 Q HA -0.000 4.339 4.340 -0.000 0.000 0.199 1194 Q C 2.974 179.006 176.000 0.054 0.000 0.966 1194 Q CA 0.766 56.588 55.803 0.033 0.000 0.845 1194 Q CB -0.561 28.186 28.738 0.015 0.000 0.907 1194 Q HN 0.408 nan 8.270 nan 0.000 0.439 1195 V N 1.525 121.458 119.914 0.032 0.000 2.295 1195 V HA -0.251 3.868 4.120 -0.000 0.000 0.246 1195 V C 2.133 178.305 176.094 0.131 0.000 1.049 1195 V CA 1.937 64.275 62.300 0.064 0.000 1.024 1195 V CB -0.464 31.367 31.823 0.013 0.000 0.648 1195 V HN 0.386 nan 8.190 nan 0.000 0.447 1196 E N 0.181 120.418 120.200 0.061 0.000 2.072 1196 E HA -0.133 4.217 4.350 -0.000 0.000 0.191 1196 E C 2.320 179.074 176.600 0.256 0.000 0.985 1196 E CA 1.205 57.692 56.400 0.145 0.000 0.801 1196 E CB -0.507 29.160 29.700 -0.056 0.000 0.750 1196 E HN 0.643 nan 8.360 nan 0.000 0.452 1197 G N 1.341 110.229 108.800 0.147 0.000 2.421 1197 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.216 1197 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.216 1197 G C 1.716 176.707 174.900 0.152 0.000 1.171 1197 G CA 0.930 46.108 45.100 0.130 0.000 0.775 1197 G HN 0.344 nan 8.290 nan 0.000 0.543 1198 A N 0.412 123.330 122.820 0.163 0.000 1.877 1198 A HA 0.051 4.371 4.320 -0.000 0.000 0.216 1198 A C 2.192 179.865 177.584 0.148 0.000 1.186 1198 A CA 1.619 53.740 52.037 0.141 0.000 0.620 1198 A CB -0.632 18.437 19.000 0.115 0.000 0.822 1198 A HN 0.412 nan 8.150 nan 0.000 0.443 1199 F N 0.791 120.805 119.950 0.107 0.000 2.120 1199 F HA -0.196 4.331 4.527 -0.000 0.000 0.300 1199 F C 2.187 178.048 175.800 0.100 0.000 1.095 1199 F CA 2.137 60.215 58.000 0.129 0.000 1.249 1199 F CB -0.220 38.914 39.000 0.223 0.000 0.995 1199 F HN 0.035 nan 8.300 nan 0.000 0.480 1200 V N 0.156 120.197 119.914 0.213 0.000 2.427 1200 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 1200 V C 2.299 178.351 176.094 -0.069 0.000 1.051 1200 V CA 2.053 64.400 62.300 0.079 0.000 1.048 1200 V CB -0.727 31.212 31.823 0.194 0.000 0.666 1200 V HN 0.396 nan 8.190 nan 0.000 0.456 1201 Q N -0.082 119.681 119.800 -0.061 0.000 2.170 1201 Q HA -0.130 4.210 4.340 -0.000 0.000 0.203 1201 Q C 2.347 178.211 176.000 -0.227 0.000 0.976 1201 Q CA 1.572 57.303 55.803 -0.120 0.000 0.858 1201 Q CB -0.402 28.296 28.738 -0.067 0.000 0.907 1201 Q HN 0.734 nan 8.270 nan 0.000 0.433 1202 G N 1.012 109.669 108.800 -0.238 0.000 2.402 1202 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.216 1202 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.216 1202 G C 1.366 176.073 174.900 -0.321 0.000 1.162 1202 G CA 0.548 45.453 45.100 -0.326 0.000 0.777 1202 G HN 0.292 nan 8.290 nan 0.000 0.539 1203 L N 1.819 122.838 121.223 -0.340 0.000 2.043 1203 L HA 0.065 4.405 4.340 -0.000 0.000 0.212 1203 L C 2.649 179.422 176.870 -0.161 0.000 1.075 1203 L CA 2.496 57.185 54.840 -0.251 0.000 0.752 1203 L CB -1.023 40.865 42.059 -0.285 0.000 0.891 1203 L HN 0.155 nan 8.230 nan 0.000 0.432 1204 G N -0.573 108.106 108.800 -0.202 0.000 2.402 1204 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.216 1204 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.216 1204 G C 1.558 176.290 174.900 -0.281 0.000 1.162 1204 G CA 0.807 45.782 45.100 -0.208 0.000 0.777 1204 G HN 0.443 nan 8.290 nan 0.000 0.539 1205 L N -0.058 120.909 121.223 -0.427 0.000 2.012 1205 L HA 0.074 4.413 4.340 -0.000 0.000 0.210 1205 L C 2.396 178.923 176.870 -0.571 0.000 1.073 1205 L CA 1.748 56.217 54.840 -0.619 0.000 0.748 1205 L CB -0.692 40.764 42.059 -1.005 0.000 0.891 1205 L HN 0.264 nan 8.230 nan 0.000 0.431 1206 F N -1.202 118.580 119.950 -0.280 0.000 2.710 1206 F HA 0.013 4.539 4.527 -0.000 0.000 0.298 1206 F C 1.815 177.586 175.800 -0.049 0.000 1.137 1206 F CA 0.717 58.566 58.000 -0.252 0.000 1.444 1206 F CB -0.227 38.607 39.000 -0.277 0.000 1.111 1206 F HN 0.357 nan 8.300 nan 0.000 0.580 1207 T N -5.289 109.296 114.554 0.051 0.000 3.028 1207 T HA 0.197 4.547 4.350 -0.000 0.000 0.262 1207 T C 0.961 175.654 174.700 -0.011 0.000 0.916 1207 T CA 0.086 62.208 62.100 0.036 0.000 0.873 1207 T CB -0.053 68.842 68.868 0.045 0.000 1.232 1207 T HN 0.030 nan 8.240 nan 0.000 0.529 1208 L N 0.600 121.776 121.223 -0.079 0.000 2.694 1208 L HA 0.537 4.877 4.340 -0.000 0.000 0.228 1208 L C 0.337 177.076 176.870 -0.219 0.000 1.048 1208 L CA 0.411 55.177 54.840 -0.123 0.000 0.887 1208 L CB 0.092 42.069 42.059 -0.137 0.000 1.265 1208 L HN 0.224 nan 8.230 nan 0.000 0.492 1209 E N 1.234 121.257 120.200 -0.295 0.000 2.259 1209 E HA 0.332 4.681 4.350 -0.000 0.000 0.281 1209 E C -0.317 176.170 176.600 -0.187 0.000 1.037 1209 E CA 0.082 56.213 56.400 -0.447 0.000 0.854 1209 E CB 0.872 30.280 29.700 -0.485 0.000 1.051 1209 E HN 0.075 nan 8.360 nan 0.000 0.409 1210 E N 3.696 123.827 120.200 -0.115 0.000 2.321 1210 E HA 0.271 4.621 4.350 -0.000 0.000 0.281 1210 E C -1.564 174.999 176.600 -0.062 0.000 0.910 1210 E CA -0.538 55.829 56.400 -0.056 0.000 0.770 1210 E CB 1.109 30.725 29.700 -0.141 0.000 1.225 1210 E HN 0.360 nan 8.360 nan 0.000 0.417 1211 L N 3.881 125.074 121.223 -0.050 0.000 2.309 1211 L HA 0.502 4.842 4.340 -0.000 0.000 0.282 1211 L C -0.604 176.124 176.870 -0.236 0.000 1.036 1211 L CA -0.675 54.088 54.840 -0.129 0.000 0.806 1211 L CB 1.288 43.327 42.059 -0.032 0.000 1.220 1211 L HN 0.591 nan 8.230 nan 0.000 0.429 1212 H N 1.875 120.927 119.070 -0.031 0.000 2.489 1212 H HA 0.532 5.087 4.556 -0.000 0.000 0.343 1212 H C -1.371 173.897 175.328 -0.099 0.000 1.086 1212 H CA -0.466 55.636 56.048 0.090 0.000 1.198 1212 H CB 1.530 31.394 29.762 0.171 0.000 1.490 1212 H HN 0.323 nan 8.280 nan 0.000 0.504 1213 Y N 0.315 120.741 120.300 0.209 0.000 2.485 1213 Y HA 0.279 4.829 4.550 -0.000 0.000 0.345 1213 Y C 0.389 176.255 175.900 -0.056 0.000 0.998 1213 Y CA -1.164 56.922 58.100 -0.024 0.000 1.059 1213 Y CB 1.759 40.215 38.460 -0.007 0.000 1.234 1213 Y HN 0.655 nan 8.280 nan 0.000 0.461 1214 S N 1.430 117.026 115.700 -0.173 0.000 2.600 1214 S HA 0.195 4.665 4.470 -0.000 0.000 0.265 1214 S C -2.068 172.578 174.600 0.075 0.000 1.325 1214 S CA -0.901 57.302 58.200 0.004 0.000 1.002 1214 S CB 1.143 64.295 63.200 -0.080 0.000 0.921 1214 S HN 0.481 nan 8.310 nan 0.000 0.554 1215 P HA -0.033 nan 4.420 nan 0.000 0.219 1215 P C 0.623 177.940 177.300 0.029 0.000 1.146 1215 P CA 1.034 64.165 63.100 0.052 0.000 0.808 1215 P CB -0.027 31.700 31.700 0.045 0.000 0.779 1216 E N -1.531 118.684 120.200 0.026 0.000 2.511 1216 E HA 0.192 4.541 4.350 -0.000 0.000 0.196 1216 E C 1.392 178.000 176.600 0.013 0.000 1.066 1216 E CA 0.748 57.156 56.400 0.014 0.000 0.871 1216 E CB -0.848 28.857 29.700 0.009 0.000 0.863 1216 E HN 0.173 nan 8.360 nan 0.000 0.520 1217 G N 0.300 109.116 108.800 0.026 0.000 2.131 1217 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.223 1217 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.223 1217 G C 0.239 175.199 174.900 0.100 0.000 0.990 1217 G CA 0.277 45.404 45.100 0.045 0.000 0.671 1217 G HN 0.268 nan 8.290 nan 0.000 0.521 1218 S N -0.107 115.616 115.700 0.039 0.000 2.429 1218 S HA 0.633 5.103 4.470 -0.000 0.000 0.302 1218 S C 0.370 174.896 174.600 -0.124 0.000 1.115 1218 S CA -0.647 57.547 58.200 -0.009 0.000 1.095 1218 S CB 0.885 64.051 63.200 -0.056 0.000 0.987 1218 S HN 1.214 nan 8.310 nan 0.000 0.474 1219 L N 6.743 127.918 121.223 -0.079 0.000 2.513 1219 L HA 0.251 4.590 4.340 -0.000 0.000 0.272 1219 L C 1.089 177.819 176.870 -0.233 0.000 1.187 1219 L CA 0.796 55.428 54.840 -0.347 0.000 0.895 1219 L CB 0.204 42.092 42.059 -0.286 0.000 1.147 1219 L HN 0.806 nan 8.230 nan 0.000 0.483 1220 H N 1.893 120.885 119.070 -0.129 0.000 2.399 1220 H HA 0.075 4.631 4.556 -0.000 0.000 0.300 1220 H C 0.295 175.615 175.328 -0.014 0.000 1.048 1220 H CA 1.140 57.174 56.048 -0.023 0.000 1.370 1220 H CB -0.098 29.683 29.762 0.032 0.000 1.428 1220 H HN 0.687 nan 8.280 nan 0.000 0.534 1221 T N 0.414 115.021 114.554 0.087 0.000 2.739 1221 T HA 0.419 4.769 4.350 -0.000 0.000 0.298 1221 T C 0.661 175.369 174.700 0.013 0.000 0.929 1221 T CA -0.665 61.480 62.100 0.075 0.000 1.014 1221 T CB 0.580 69.513 68.868 0.108 0.000 0.914 1221 T HN 0.236 nan 8.240 nan 0.000 0.509 1222 R N 2.178 122.708 120.500 0.050 0.000 2.659 1222 R HA 0.473 4.813 4.340 -0.000 0.000 0.418 1222 R C 0.563 176.921 176.300 0.096 0.000 1.076 1222 R CA -0.704 55.429 56.100 0.054 0.000 1.093 1222 R CB 1.232 31.571 30.300 0.064 0.000 1.400 1222 R HN 0.808 nan 8.270 nan 0.000 0.583 1223 G N 0.556 109.439 108.800 0.137 0.000 2.576 1223 G HA2 0.211 4.171 3.960 -0.000 0.000 0.290 1223 G HA3 0.211 4.171 3.960 -0.000 0.000 0.290 1223 G C -2.592 172.458 174.900 0.250 0.000 1.442 1223 G CA -0.858 44.354 45.100 0.187 0.000 0.792 1223 G HN -0.288 nan 8.290 nan 0.000 0.491 1224 P HA -0.108 nan 4.420 nan 0.000 0.222 1224 P C 1.859 179.195 177.300 0.060 0.000 1.147 1224 P CA 1.802 64.983 63.100 0.136 0.000 0.790 1224 P CB 0.179 31.987 31.700 0.179 0.000 0.780 1225 S N -0.234 115.501 115.700 0.057 0.000 2.402 1225 S HA -0.107 4.363 4.470 -0.000 0.000 0.229 1225 S C 1.849 176.465 174.600 0.027 0.000 1.021 1225 S CA 1.943 60.155 58.200 0.019 0.000 0.974 1225 S CB -1.741 61.450 63.200 -0.016 0.000 0.800 1225 S HN 0.361 nan 8.310 nan 0.000 0.484 1226 T N -3.772 110.820 114.554 0.063 0.000 2.969 1226 T HA 0.263 4.612 4.350 -0.000 0.000 0.250 1226 T C 0.027 174.808 174.700 0.134 0.000 1.021 1226 T CA -0.347 61.808 62.100 0.092 0.000 1.003 1226 T CB -0.373 68.559 68.868 0.107 0.000 1.040 1226 T HN 0.346 nan 8.240 nan 0.000 0.492 1227 Y N 3.299 123.592 120.300 -0.011 0.000 2.369 1227 Y HA 0.521 5.071 4.550 -0.000 0.000 0.337 1227 Y C -0.823 175.002 175.900 -0.126 0.000 0.961 1227 Y CA -1.785 56.285 58.100 -0.050 0.000 1.186 1227 Y CB 0.804 39.259 38.460 -0.009 0.000 1.139 1227 Y HN -0.144 nan 8.280 nan 0.000 0.494 1228 K N 8.968 129.086 120.400 -0.470 0.000 2.300 1228 K HA 0.282 4.602 4.320 -0.000 0.000 0.264 1228 K C -0.125 176.174 176.600 -0.503 0.000 1.083 1228 K CA -0.331 55.721 56.287 -0.393 0.000 0.958 1228 K CB 0.377 32.745 32.500 -0.220 0.000 1.318 1228 K HN 0.817 nan 8.250 nan 0.000 0.448 1229 I N -0.758 119.519 120.570 -0.489 0.000 3.021 1229 I HA 0.391 4.561 4.170 -0.000 0.000 0.303 1229 I C -2.164 173.842 176.117 -0.185 0.000 1.044 1229 I CA -2.599 58.480 61.300 -0.368 0.000 1.266 1229 I CB 0.207 38.001 38.000 -0.343 0.000 1.447 1229 I HN 0.137 nan 8.210 nan 0.000 0.593 1230 P HA 0.111 nan 4.420 nan 0.000 0.265 1230 P C -0.797 176.551 177.300 0.080 0.000 1.193 1230 P CA 0.166 63.268 63.100 0.004 0.000 0.765 1230 P CB 0.672 32.415 31.700 0.072 0.000 0.823 1231 A N 2.402 125.178 122.820 -0.074 0.000 2.284 1231 A HA 0.470 4.790 4.320 -0.000 0.000 0.317 1231 A C 0.758 177.900 177.584 -0.736 0.000 1.120 1231 A CA -0.453 51.453 52.037 -0.219 0.000 0.900 1231 A CB -0.135 18.834 19.000 -0.053 0.000 1.319 1231 A HN 0.425 nan 8.150 nan 0.000 0.494 1232 F N 0.437 119.801 119.950 -0.977 0.000 2.120 1232 F HA -0.117 4.410 4.527 -0.000 0.000 0.300 1232 F C 2.493 178.098 175.800 -0.325 0.000 1.095 1232 F CA 2.530 60.012 58.000 -0.864 0.000 1.249 1232 F CB -0.327 38.508 39.000 -0.276 0.000 0.995 1232 F HN 0.622 nan 8.300 nan 0.000 0.480 1233 G N -2.015 106.800 108.800 0.024 0.000 2.848 1233 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.208 1233 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.208 1233 G C 1.475 176.375 174.900 -0.001 0.000 1.152 1233 G CA 0.659 45.797 45.100 0.062 0.000 0.789 1233 G HN 0.317 nan 8.290 nan 0.000 0.531 1234 S N 0.047 115.707 115.700 -0.066 0.000 2.528 1234 S HA 0.168 4.638 4.470 -0.000 0.000 0.219 1234 S C 1.195 175.782 174.600 -0.021 0.000 0.985 1234 S CA -0.313 57.851 58.200 -0.061 0.000 0.914 1234 S CB -0.099 63.063 63.200 -0.063 0.000 0.776 1234 S HN 0.622 nan 8.310 nan 0.000 0.526 1235 I N 0.531 121.104 120.570 0.005 0.000 2.945 1235 I HA 0.374 4.543 4.170 -0.000 0.000 0.292 1235 I C -2.625 173.457 176.117 -0.059 0.000 1.093 1235 I CA -2.530 58.766 61.300 -0.007 0.000 1.336 1235 I CB 0.134 38.183 38.000 0.082 0.000 1.435 1235 I HN -0.180 nan 8.210 nan 0.000 0.593 1236 P HA 0.049 nan 4.420 nan 0.000 0.267 1236 P C 0.380 177.659 177.300 -0.036 0.000 1.209 1236 P CA -0.024 62.975 63.100 -0.168 0.000 0.763 1236 P CB 0.847 32.327 31.700 -0.367 0.000 0.816 1237 T N 1.855 116.443 114.554 0.057 0.000 2.720 1237 T HA -0.156 4.194 4.350 -0.000 0.000 0.268 1237 T C 0.559 175.337 174.700 0.131 0.000 1.037 1237 T CA 1.516 63.690 62.100 0.124 0.000 1.144 1237 T CB -0.193 68.774 68.868 0.165 0.000 0.864 1237 T HN 0.530 nan 8.240 nan 0.000 0.444 1238 E N 0.383 120.641 120.200 0.096 0.000 2.092 1238 E HA 0.387 4.737 4.350 -0.000 0.000 0.271 1238 E C -1.435 175.264 176.600 0.165 0.000 0.919 1238 E CA -0.248 56.221 56.400 0.115 0.000 0.760 1238 E CB 0.994 30.732 29.700 0.063 0.000 1.106 1238 E HN 0.367 nan 8.360 nan 0.000 0.408 1239 F N 4.135 124.098 119.950 0.022 0.000 2.434 1239 F HA 0.395 4.922 4.527 -0.000 0.000 0.355 1239 F C -0.262 175.525 175.800 -0.022 0.000 1.115 1239 F CA -0.980 57.012 58.000 -0.014 0.000 1.010 1239 F CB 0.699 39.708 39.000 0.014 0.000 1.234 1239 F HN 0.225 nan 8.300 nan 0.000 0.439 1240 R N 5.070 125.698 120.500 0.213 0.000 2.387 1240 R HA 0.653 4.993 4.340 -0.000 0.000 0.314 1240 R C -1.469 174.799 176.300 -0.054 0.000 0.958 1240 R CA -0.938 55.179 56.100 0.028 0.000 0.846 1240 R CB 2.704 33.023 30.300 0.033 0.000 1.147 1240 R HN 0.309 nan 8.270 nan 0.000 0.447 1241 V N 1.835 121.676 119.914 -0.122 0.000 2.588 1241 V HA 0.398 4.518 4.120 -0.000 0.000 0.304 1241 V C -0.489 175.577 176.094 -0.046 0.000 1.042 1241 V CA -0.670 61.554 62.300 -0.127 0.000 0.877 1241 V CB 2.165 33.844 31.823 -0.240 0.000 0.996 1241 V HN 0.772 nan 8.190 nan 0.000 0.425 1242 S N 5.025 120.715 115.700 -0.017 0.000 2.521 1242 S HA 0.720 5.189 4.470 -0.000 0.000 0.295 1242 S C -0.756 173.864 174.600 0.033 0.000 1.098 1242 S CA -0.613 57.598 58.200 0.018 0.000 0.999 1242 S CB 1.627 64.833 63.200 0.011 0.000 1.034 1242 S HN 0.532 nan 8.310 nan 0.000 0.483 1243 L N 2.986 124.246 121.223 0.062 0.000 2.272 1243 L HA 0.441 4.781 4.340 -0.000 0.000 0.289 1243 L C -0.320 176.586 176.870 0.059 0.000 1.032 1243 L CA -0.973 53.905 54.840 0.063 0.000 0.810 1243 L CB 0.954 43.063 42.059 0.084 0.000 1.205 1243 L HN 0.483 nan 8.230 nan 0.000 0.422 1244 L N 4.603 125.857 121.223 0.052 0.000 2.578 1244 L HA 0.004 4.344 4.340 -0.000 0.000 0.279 1244 L C 0.511 177.404 176.870 0.039 0.000 1.227 1244 L CA 0.851 55.717 54.840 0.043 0.000 0.900 1244 L CB 0.085 42.173 42.059 0.049 0.000 1.144 1244 L HN 0.512 nan 8.230 nan 0.000 0.496 1245 R N 3.606 124.122 120.500 0.026 0.000 2.528 1245 R HA 0.224 4.564 4.340 -0.000 0.000 0.271 1245 R C -0.356 175.954 176.300 0.017 0.000 1.056 1245 R CA -0.714 55.397 56.100 0.019 0.000 1.117 1245 R CB 0.405 30.708 30.300 0.004 0.000 1.085 1245 R HN 0.697 nan 8.270 nan 0.000 0.530 1246 D N 0.785 121.192 120.400 0.013 0.000 2.886 1246 D HA -0.156 4.484 4.640 -0.000 0.000 0.221 1246 D C -0.313 175.995 176.300 0.013 0.000 1.227 1246 D CA 0.994 55.000 54.000 0.010 0.000 0.746 1246 D CB -0.803 40.001 40.800 0.006 0.000 0.935 1246 D HN 0.729 nan 8.370 nan 0.000 0.399 1247 C N -0.942 118.367 119.300 0.016 0.000 3.236 1247 C HA 0.326 4.786 4.460 -0.000 0.000 0.208 1247 C C -2.289 172.706 174.990 0.009 0.000 1.879 1247 C CA -1.624 57.405 59.018 0.018 0.000 1.262 1247 C CB 0.400 28.158 27.740 0.030 0.000 2.186 1247 C HN 0.177 nan 8.230 nan 0.000 0.552 1248 P HA 0.084 nan 4.420 nan 0.000 0.266 1248 P C -0.537 176.739 177.300 -0.040 0.000 1.195 1248 P CA 0.797 63.888 63.100 -0.016 0.000 0.768 1248 P CB 0.731 32.425 31.700 -0.010 0.000 0.838 1249 N N 2.399 121.050 118.700 -0.082 0.000 2.546 1249 N HA 0.062 4.802 4.740 -0.000 0.000 0.238 1249 N C 1.217 176.631 175.510 -0.160 0.000 0.984 1249 N CA -0.643 52.312 53.050 -0.159 0.000 0.935 1249 N CB 0.574 38.883 38.487 -0.297 0.000 1.122 1249 N HN 0.265 nan 8.380 nan 0.000 0.510 1250 K N 2.169 122.500 120.400 -0.115 0.000 2.442 1250 K HA -0.078 4.242 4.320 -0.000 0.000 0.198 1250 K C 0.463 177.002 176.600 -0.102 0.000 1.044 1250 K CA 1.076 57.310 56.287 -0.088 0.000 0.948 1250 K CB 0.117 32.586 32.500 -0.052 0.000 0.762 1250 K HN 0.371 nan 8.250 nan 0.000 0.472 1251 K N 0.371 120.667 120.400 -0.174 0.000 2.444 1251 K HA 0.170 4.490 4.320 -0.000 0.000 0.193 1251 K C 0.220 176.811 176.600 -0.014 0.000 1.024 1251 K CA 0.146 56.359 56.287 -0.124 0.000 1.077 1251 K CB 0.667 32.946 32.500 -0.369 0.000 0.833 1251 K HN 0.274 nan 8.250 nan 0.000 0.517 1252 A N 1.001 123.731 122.820 -0.150 0.000 2.485 1252 A HA 0.428 4.748 4.320 -0.000 0.000 0.292 1252 A C -0.888 176.577 177.584 -0.197 0.000 1.147 1252 A CA -0.898 51.059 52.037 -0.134 0.000 0.750 1252 A CB 0.782 19.694 19.000 -0.146 0.000 1.331 1252 A HN 0.159 nan 8.150 nan 0.000 0.419 1253 I N 0.989 121.399 120.570 -0.266 0.000 2.919 1253 I HA 0.024 4.194 4.170 -0.000 0.000 0.299 1253 I C 0.098 176.077 176.117 -0.231 0.000 1.221 1253 I CA 1.312 62.372 61.300 -0.400 0.000 1.424 1253 I CB -1.236 36.519 38.000 -0.408 0.000 1.358 1253 I HN 0.630 nan 8.210 nan 0.000 0.551 1254 Y N 5.700 125.893 120.300 -0.179 0.000 3.491 1254 Y HA -0.291 4.259 4.550 -0.000 0.000 0.215 1254 Y C 1.424 177.265 175.900 -0.098 0.000 1.219 1254 Y CA 0.414 58.440 58.100 -0.123 0.000 1.485 1254 Y CB -1.776 36.630 38.460 -0.091 0.000 1.450 1254 Y HN 1.070 nan 8.280 nan 0.000 0.603 1255 A N -1.179 121.643 122.820 0.003 0.000 2.887 1255 A HA -0.266 4.054 4.320 -0.000 0.000 0.257 1255 A C 0.993 178.547 177.584 -0.050 0.000 1.372 1255 A CA 1.120 53.134 52.037 -0.038 0.000 0.879 1255 A CB -1.954 17.041 19.000 -0.009 0.000 1.082 1255 A HN 1.246 nan 8.150 nan 0.000 0.703 1256 S N -1.049 114.624 115.700 -0.045 0.000 2.671 1256 S HA 0.802 5.272 4.470 -0.000 0.000 0.272 1256 S C -0.049 174.505 174.600 -0.078 0.000 1.174 1256 S CA -0.086 58.093 58.200 -0.034 0.000 1.004 1256 S CB 1.354 64.554 63.200 0.000 0.000 1.077 1256 S HN 0.586 nan 8.310 nan 0.000 0.553 1257 K N -0.488 119.908 120.400 -0.006 0.000 2.527 1257 K HA 0.601 4.921 4.320 -0.000 0.000 0.260 1257 K C -0.955 175.732 176.600 0.145 0.000 0.937 1257 K CA -0.777 55.558 56.287 0.081 0.000 0.826 1257 K CB 2.248 34.808 32.500 0.100 0.000 1.359 1257 K HN 0.848 nan 8.250 nan 0.000 0.434 1258 A N 1.224 124.191 122.820 0.243 0.000 2.540 1258 A HA 0.135 4.455 4.320 -0.000 0.000 0.239 1258 A C 0.603 178.221 177.584 0.057 0.000 1.061 1258 A CA 0.078 52.178 52.037 0.106 0.000 0.758 1258 A CB 0.458 19.489 19.000 0.052 0.000 0.991 1258 A HN 0.529 nan 8.150 nan 0.000 0.502 1259 V N 2.806 122.726 119.914 0.011 0.000 3.426 1259 V HA 0.224 4.344 4.120 -0.000 0.000 0.279 1259 V C 1.756 177.827 176.094 -0.039 0.000 1.544 1259 V CA 1.431 63.727 62.300 -0.007 0.000 1.017 1259 V CB -0.311 31.515 31.823 0.005 0.000 0.821 1259 V HN 1.141 nan 8.190 nan 0.000 0.432 1260 G N 0.698 109.471 108.800 -0.046 0.000 2.586 1260 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.218 1260 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.218 1260 G C 1.189 176.042 174.900 -0.078 0.000 1.216 1260 G CA 1.676 46.751 45.100 -0.043 0.000 0.786 1260 G HN 0.611 nan 8.290 nan 0.000 0.583 1261 E N 0.509 120.581 120.200 -0.214 0.000 2.166 1261 E HA 0.030 4.380 4.350 -0.000 0.000 0.192 1261 E C -0.113 176.115 176.600 -0.621 0.000 0.967 1261 E CA 0.080 56.250 56.400 -0.383 0.000 0.840 1261 E CB -0.088 29.299 29.700 -0.521 0.000 0.795 1261 E HN 0.301 nan 8.360 nan 0.000 0.470 1262 P HA -0.180 nan 4.420 nan 0.000 0.218 1262 P C -1.640 175.589 177.300 -0.118 0.000 1.154 1262 P CA 1.936 64.740 63.100 -0.494 0.000 0.872 1262 P CB -0.786 30.799 31.700 -0.190 0.000 0.790 1263 P HA -0.036 nan 4.420 nan 0.000 0.229 1263 P C 1.564 178.957 177.300 0.156 0.000 1.160 1263 P CA 0.588 63.753 63.100 0.107 0.000 0.777 1263 P CB -0.393 31.377 31.700 0.117 0.000 0.814 1264 L N -1.240 120.030 121.223 0.079 0.000 2.012 1264 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 1264 L C 2.193 179.158 176.870 0.159 0.000 1.073 1264 L CA 1.682 56.573 54.840 0.085 0.000 0.748 1264 L CB -0.715 41.361 42.059 0.029 0.000 0.891 1264 L HN -0.093 nan 8.230 nan 0.000 0.431 1265 F N 0.176 120.194 119.950 0.112 0.000 2.250 1265 F HA -0.211 4.316 4.527 -0.000 0.000 0.301 1265 F C 1.944 177.884 175.800 0.232 0.000 1.077 1265 F CA 1.319 59.458 58.000 0.232 0.000 1.348 1265 F CB -0.335 38.790 39.000 0.208 0.000 1.040 1265 F HN 0.013 nan 8.300 nan 0.000 0.509 1266 L N -0.158 121.106 121.223 0.068 0.000 2.349 1266 L HA -0.170 4.170 4.340 -0.000 0.000 0.220 1266 L C 2.570 179.467 176.870 0.045 0.000 1.130 1266 L CA 0.968 55.858 54.840 0.083 0.000 0.791 1266 L CB -1.462 40.800 42.059 0.339 0.000 0.918 1266 L HN 0.342 nan 8.230 nan 0.000 0.444 1267 G N -0.467 108.187 108.800 -0.242 0.000 2.509 1267 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.218 1267 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.218 1267 G C 1.697 176.438 174.900 -0.264 0.000 1.124 1267 G CA 0.638 45.323 45.100 -0.691 0.000 0.776 1267 G HN 0.470 nan 8.290 nan 0.000 0.547 1268 A N 1.352 123.936 122.820 -0.393 0.000 2.121 1268 A HA 0.037 4.357 4.320 -0.000 0.000 0.218 1268 A C 2.656 180.154 177.584 -0.144 0.000 1.154 1268 A CA 1.949 53.594 52.037 -0.653 0.000 0.679 1268 A CB -0.517 17.750 19.000 -1.221 0.000 0.795 1268 A HN 0.650 nan 8.150 nan 0.000 0.458 1269 S N -0.224 115.460 115.700 -0.026 0.000 2.400 1269 S HA -0.148 4.322 4.470 -0.000 0.000 0.232 1269 S C 1.674 176.360 174.600 0.143 0.000 1.025 1269 S CA 1.519 59.804 58.200 0.141 0.000 0.993 1269 S CB -0.880 62.427 63.200 0.179 0.000 0.808 1269 S HN 0.266 nan 8.310 nan 0.000 0.478 1270 V N 0.934 120.905 119.914 0.095 0.000 2.379 1270 V HA -0.041 4.079 4.120 -0.000 0.000 0.245 1270 V C 2.060 178.142 176.094 -0.020 0.000 1.044 1270 V CA 1.821 64.160 62.300 0.066 0.000 1.036 1270 V CB -1.034 30.828 31.823 0.066 0.000 0.664 1270 V HN 0.550 nan 8.190 nan 0.000 0.453 1271 F N 0.648 120.470 119.950 -0.213 0.000 2.095 1271 F HA -0.217 4.310 4.527 -0.000 0.000 0.298 1271 F C 2.009 177.586 175.800 -0.371 0.000 1.104 1271 F CA 1.924 59.712 58.000 -0.354 0.000 1.232 1271 F CB -0.328 38.315 39.000 -0.595 0.000 0.987 1271 F HN 0.142 nan 8.300 nan 0.000 0.475 1272 F N -0.078 119.962 119.950 0.149 0.000 2.407 1272 F HA 0.030 4.556 4.527 -0.000 0.000 0.299 1272 F C 2.413 178.200 175.800 -0.022 0.000 1.097 1272 F CA 0.613 58.652 58.000 0.066 0.000 1.422 1272 F CB -0.826 38.228 39.000 0.091 0.000 1.067 1272 F HN 0.069 nan 8.300 nan 0.000 0.539 1273 A N 0.441 123.323 122.820 0.103 0.000 1.930 1273 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 1273 A C 2.176 179.746 177.584 -0.023 0.000 1.175 1273 A CA 1.231 53.301 52.037 0.056 0.000 0.627 1273 A CB -0.857 18.174 19.000 0.051 0.000 0.815 1273 A HN 0.374 nan 8.150 nan 0.000 0.443 1274 I N -0.598 119.888 120.570 -0.139 0.000 2.252 1274 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 1274 I C 2.537 178.554 176.117 -0.166 0.000 1.102 1274 I CA 1.758 62.925 61.300 -0.221 0.000 1.385 1274 I CB -0.214 37.529 38.000 -0.428 0.000 1.064 1274 I HN 0.354 nan 8.210 nan 0.000 0.414 1275 K N 0.804 121.080 120.400 -0.206 0.000 2.097 1275 K HA -0.266 4.054 4.320 -0.000 0.000 0.206 1275 K C 1.741 178.418 176.600 0.128 0.000 1.049 1275 K CA 1.963 58.233 56.287 -0.028 0.000 0.933 1275 K CB -0.075 32.394 32.500 -0.052 0.000 0.717 1275 K HN 0.174 nan 8.250 nan 0.000 0.442 1276 D N -0.076 120.377 120.400 0.088 0.000 2.117 1276 D HA -0.105 4.535 4.640 -0.000 0.000 0.197 1276 D C 1.636 177.989 176.300 0.089 0.000 0.987 1276 D CA 1.378 55.439 54.000 0.103 0.000 0.829 1276 D CB 0.017 40.869 40.800 0.086 0.000 0.961 1276 D HN 0.315 nan 8.370 nan 0.000 0.460 1277 A N 0.066 122.919 122.820 0.054 0.000 1.898 1277 A HA -0.057 4.263 4.320 -0.000 0.000 0.216 1277 A C 2.405 180.019 177.584 0.051 0.000 1.181 1277 A CA 0.919 52.986 52.037 0.049 0.000 0.620 1277 A CB -0.708 18.310 19.000 0.029 0.000 0.819 1277 A HN 0.353 nan 8.150 nan 0.000 0.442 1278 I N -0.881 119.718 120.570 0.048 0.000 2.286 1278 I HA -0.253 3.916 4.170 -0.000 0.000 0.248 1278 I C 2.680 178.795 176.117 -0.003 0.000 1.115 1278 I CA 1.646 62.947 61.300 0.002 0.000 1.392 1278 I CB -0.297 37.698 38.000 -0.008 0.000 1.065 1278 I HN 0.391 nan 8.210 nan 0.000 0.418 1279 R N 1.342 121.937 120.500 0.158 0.000 2.096 1279 R HA -0.173 4.167 4.340 -0.000 0.000 0.235 1279 R C 2.352 178.695 176.300 0.073 0.000 1.127 1279 R CA 1.580 57.797 56.100 0.195 0.000 0.968 1279 R CB -0.216 30.248 30.300 0.273 0.000 0.861 1279 R HN 0.341 nan 8.270 nan 0.000 0.440 1280 A N 0.574 123.427 122.820 0.055 0.000 1.930 1280 A HA -0.055 4.265 4.320 -0.000 0.000 0.217 1280 A C 2.340 179.909 177.584 -0.026 0.000 1.175 1280 A CA 1.529 53.577 52.037 0.020 0.000 0.627 1280 A CB -0.725 18.297 19.000 0.036 0.000 0.815 1280 A HN 0.536 nan 8.150 nan 0.000 0.443 1281 A N -0.186 122.623 122.820 -0.019 0.000 1.898 1281 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 1281 A C 2.241 179.791 177.584 -0.057 0.000 1.181 1281 A CA 1.469 53.486 52.037 -0.033 0.000 0.620 1281 A CB -0.416 18.593 19.000 0.015 0.000 0.819 1281 A HN 0.543 nan 8.150 nan 0.000 0.442 1282 R N -0.549 119.906 120.500 -0.075 0.000 2.092 1282 R HA -0.017 4.323 4.340 -0.000 0.000 0.231 1282 R C 2.369 178.633 176.300 -0.060 0.000 1.119 1282 R CA 1.090 57.139 56.100 -0.085 0.000 0.970 1282 R CB -0.417 29.787 30.300 -0.160 0.000 0.864 1282 R HN 0.488 nan 8.270 nan 0.000 0.440 1283 A N 0.685 123.475 122.820 -0.050 0.000 2.070 1283 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 1283 A C 2.039 179.553 177.584 -0.116 0.000 1.159 1283 A CA 1.267 53.273 52.037 -0.051 0.000 0.656 1283 A CB -0.245 18.740 19.000 -0.026 0.000 0.800 1283 A HN 0.219 nan 8.150 nan 0.000 0.453 1284 Q N -0.466 119.218 119.800 -0.193 0.000 2.033 1284 Q HA -0.091 4.249 4.340 -0.000 0.000 0.196 1284 Q C 0.987 176.669 176.000 -0.529 0.000 0.970 1284 Q CA 2.106 57.663 55.803 -0.410 0.000 0.828 1284 Q CB -0.209 28.198 28.738 -0.552 0.000 0.895 1284 Q HN 0.793 nan 8.270 nan 0.000 0.440 1285 H N -1.444 117.555 119.070 -0.118 0.000 2.923 1285 H HA 0.411 4.967 4.556 -0.000 0.000 0.268 1285 H C -0.642 174.647 175.328 -0.064 0.000 1.148 1285 H CA 0.088 56.078 56.048 -0.098 0.000 1.146 1285 H CB 1.011 30.710 29.762 -0.105 0.000 1.607 1285 H HN 0.075 nan 8.280 nan 0.000 0.566 1286 T N -1.130 113.435 114.554 0.018 0.000 2.773 1286 T HA 0.084 4.434 4.350 -0.000 0.000 0.278 1286 T C 0.984 175.682 174.700 -0.003 0.000 1.011 1286 T CA -0.856 61.247 62.100 0.005 0.000 1.014 1286 T CB 1.425 70.282 68.868 -0.018 0.000 1.293 1286 T HN 0.157 nan 8.240 nan 0.000 0.554 1287 N N 2.111 120.813 118.700 0.004 0.000 1.766 1287 N HA -0.336 4.404 4.740 -0.000 0.000 0.130 1287 N C 0.255 175.772 175.510 0.012 0.000 0.518 1287 N CA 2.402 55.460 53.050 0.014 0.000 0.812 1287 N CB -0.654 37.851 38.487 0.031 0.000 0.765 1287 N HN 0.764 nan 8.380 nan 0.000 1.327 1288 N N -0.844 117.862 118.700 0.011 0.000 2.926 1288 N HA -0.156 4.584 4.740 -0.000 0.000 0.249 1288 N C 0.331 175.855 175.510 0.022 0.000 1.100 1288 N CA 0.625 53.679 53.050 0.008 0.000 0.777 1288 N CB -1.745 36.740 38.487 -0.003 0.000 1.112 1288 N HN 0.509 nan 8.380 nan 0.000 0.552 1289 N N 1.022 119.745 118.700 0.038 0.000 2.216 1289 N HA -0.112 4.627 4.740 -0.000 0.000 0.183 1289 N C 0.665 176.206 175.510 0.052 0.000 1.017 1289 N CA 2.322 55.401 53.050 0.047 0.000 0.861 1289 N CB 0.153 38.678 38.487 0.064 0.000 0.986 1289 N HN 0.424 nan 8.380 nan 0.000 0.428 1290 T N -0.862 113.728 114.554 0.060 0.000 11.472 1290 T HA -0.181 4.169 4.350 -0.000 0.000 0.387 1290 T C 0.785 175.530 174.700 0.075 0.000 1.670 1290 T CA 1.576 63.713 62.100 0.061 0.000 2.698 1290 T CB -0.962 67.933 68.868 0.046 0.000 2.581 1290 T HN 0.379 nan 8.240 nan 0.000 0.809 1291 K N 1.331 121.777 120.400 0.077 0.000 2.455 1291 K HA 0.271 4.591 4.320 -0.000 0.000 0.206 1291 K C 0.389 177.046 176.600 0.096 0.000 1.027 1291 K CA -0.182 56.154 56.287 0.083 0.000 1.113 1291 K CB 0.775 33.321 32.500 0.076 0.000 0.850 1291 K HN 0.515 nan 8.250 nan 0.000 0.503 1292 E N 1.472 121.740 120.200 0.114 0.000 2.418 1292 E HA 0.003 4.353 4.350 -0.000 0.000 0.261 1292 E C -0.717 175.970 176.600 0.146 0.000 1.070 1292 E CA 0.243 56.727 56.400 0.141 0.000 0.931 1292 E CB 0.546 30.353 29.700 0.177 0.000 0.954 1292 E HN 0.141 nan 8.360 nan 0.000 0.439 1293 L N 6.370 127.672 121.223 0.131 0.000 2.457 1293 L HA 0.287 4.627 4.340 -0.000 0.000 0.252 1293 L C -0.524 176.395 176.870 0.081 0.000 1.132 1293 L CA -0.886 53.988 54.840 0.056 0.000 0.938 1293 L CB -0.078 42.023 42.059 0.069 0.000 1.246 1293 L HN 0.427 nan 8.230 nan 0.000 0.476 1294 F N -0.134 119.872 119.950 0.094 0.000 2.399 1294 F HA 0.527 5.054 4.527 -0.000 0.000 0.342 1294 F C 0.543 176.414 175.800 0.118 0.000 1.106 1294 F CA -0.902 57.153 58.000 0.092 0.000 1.196 1294 F CB 0.443 39.485 39.000 0.071 0.000 1.163 1294 F HN 0.275 nan 8.300 nan 0.000 0.547 1295 R N 3.717 124.367 120.500 0.250 0.000 2.340 1295 R HA 0.545 4.885 4.340 -0.000 0.000 0.300 1295 R C -1.713 174.762 176.300 0.292 0.000 1.069 1295 R CA -0.715 55.506 56.100 0.201 0.000 0.984 1295 R CB 0.815 31.238 30.300 0.205 0.000 1.003 1295 R HN 0.896 nan 8.270 nan 0.000 0.459 1296 L N 5.151 126.530 121.223 0.260 0.000 2.427 1296 L HA 0.369 4.709 4.340 -0.000 0.000 0.264 1296 L C -1.324 175.823 176.870 0.462 0.000 0.989 1296 L CA -0.429 54.619 54.840 0.346 0.000 0.865 1296 L CB 1.430 43.674 42.059 0.308 0.000 1.209 1296 L HN 0.699 nan 8.230 nan 0.000 0.430 1297 D N 1.511 122.153 120.400 0.404 0.000 2.383 1297 D HA 0.225 4.865 4.640 -0.000 0.000 0.248 1297 D C -0.305 176.270 176.300 0.459 0.000 1.170 1297 D CA -0.028 54.238 54.000 0.443 0.000 0.977 1297 D CB 1.690 42.736 40.800 0.410 0.000 1.120 1297 D HN 0.437 nan 8.370 nan 0.000 0.481 1298 S N 0.298 116.171 115.700 0.288 0.000 2.525 1298 S HA 0.478 4.948 4.470 -0.000 0.000 0.290 1298 S C -2.611 172.039 174.600 0.084 0.000 1.152 1298 S CA -1.441 56.800 58.200 0.068 0.000 1.072 1298 S CB 1.235 64.096 63.200 -0.565 0.000 1.027 1298 S HN 0.169 nan 8.310 nan 0.000 0.500 1299 P HA 0.268 nan 4.420 nan 0.000 0.282 1299 P C -1.222 176.183 177.300 0.174 0.000 1.249 1299 P CA -0.551 62.607 63.100 0.096 0.000 0.806 1299 P CB 0.957 32.653 31.700 -0.007 0.000 0.984 1300 A N 2.738 125.698 122.820 0.233 0.000 2.981 1300 A HA 0.331 4.651 4.320 -0.000 0.000 0.280 1300 A C 1.050 178.600 177.584 -0.056 0.000 1.743 1300 A CA -0.125 51.931 52.037 0.033 0.000 1.430 1300 A CB -1.459 17.375 19.000 -0.276 0.000 1.085 1300 A HN 0.617 nan 8.150 nan 0.000 0.597 1301 T N -0.867 113.663 114.554 -0.040 0.000 2.754 1301 T HA 0.349 4.699 4.350 -0.000 0.000 0.286 1301 T C -1.719 172.891 174.700 -0.151 0.000 0.997 1301 T CA -1.345 60.712 62.100 -0.072 0.000 0.982 1301 T CB 0.409 69.242 68.868 -0.058 0.000 1.027 1301 T HN 0.149 nan 8.240 nan 0.000 0.529 1302 P HA -0.087 nan 4.420 nan 0.000 0.218 1302 P C 1.517 178.402 177.300 -0.692 0.000 1.148 1302 P CA 1.094 64.065 63.100 -0.216 0.000 0.822 1302 P CB 0.056 31.743 31.700 -0.021 0.000 0.784 1303 E N 0.494 120.131 120.200 -0.938 0.000 2.031 1303 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 1303 E C 1.722 177.970 176.600 -0.588 0.000 0.994 1303 E CA 1.393 57.010 56.400 -1.305 0.000 0.800 1303 E CB -0.224 29.091 29.700 -0.642 0.000 0.752 1303 E HN 0.126 nan 8.360 nan 0.000 0.447 1304 K N 0.211 120.434 120.400 -0.294 0.000 2.097 1304 K HA -0.110 4.210 4.320 -0.000 0.000 0.206 1304 K C 2.307 178.830 176.600 -0.129 0.000 1.049 1304 K CA 1.362 57.570 56.287 -0.131 0.000 0.933 1304 K CB -0.143 32.341 32.500 -0.027 0.000 0.717 1304 K HN 0.285 nan 8.250 nan 0.000 0.442 1305 I N 0.626 121.095 120.570 -0.168 0.000 2.142 1305 I HA -0.276 3.894 4.170 -0.000 0.000 0.240 1305 I C 2.643 178.708 176.117 -0.087 0.000 1.078 1305 I CA 1.089 62.315 61.300 -0.124 0.000 1.343 1305 I CB -0.214 37.715 38.000 -0.117 0.000 1.046 1305 I HN 0.081 nan 8.210 nan 0.000 0.405 1306 R N 1.689 122.126 120.500 -0.104 0.000 2.073 1306 R HA -0.154 4.186 4.340 -0.000 0.000 0.234 1306 R C 1.965 178.279 176.300 0.024 0.000 1.134 1306 R CA 1.773 57.885 56.100 0.020 0.000 0.952 1306 R CB -0.533 29.881 30.300 0.191 0.000 0.850 1306 R HN 0.300 nan 8.270 nan 0.000 0.433 1307 N N 0.238 118.921 118.700 -0.028 0.000 2.223 1307 N HA -0.115 4.625 4.740 -0.000 0.000 0.185 1307 N C 1.319 176.815 175.510 -0.022 0.000 1.016 1307 N CA 1.527 54.578 53.050 0.003 0.000 0.863 1307 N CB -0.342 38.139 38.487 -0.010 0.000 0.983 1307 N HN 0.392 nan 8.380 nan 0.000 0.429 1308 A N -0.282 122.502 122.820 -0.061 0.000 2.067 1308 A HA 0.003 4.323 4.320 -0.000 0.000 0.217 1308 A C 1.217 178.699 177.584 -0.169 0.000 1.156 1308 A CA 0.285 52.238 52.037 -0.141 0.000 0.683 1308 A CB -0.243 18.653 19.000 -0.174 0.000 0.808 1308 A HN 0.338 nan 8.150 nan 0.000 0.455 1309 C N 1.974 121.232 119.300 -0.069 0.000 3.057 1309 C HA 0.383 4.843 4.460 -0.000 0.000 0.563 1309 C C 0.677 175.687 174.990 0.034 0.000 1.129 1309 C CA -1.093 57.917 59.018 -0.012 0.000 1.284 1309 C CB -2.331 25.447 27.740 0.064 0.000 1.532 1309 C HN 0.323 nan 8.230 nan 0.000 0.631 1310 V N 4.092 123.998 119.914 -0.013 0.000 2.617 1310 V HA 0.168 4.288 4.120 -0.000 0.000 0.304 1310 V C 0.310 176.429 176.094 0.041 0.000 1.040 1310 V CA 0.981 63.286 62.300 0.009 0.000 1.149 1310 V CB 0.104 31.916 31.823 -0.019 0.000 0.914 1310 V HN 0.863 nan 8.190 nan 0.000 0.487 1311 D N 2.703 123.119 120.400 0.027 0.000 2.946 1311 D HA 0.263 4.903 4.640 -0.000 0.000 0.337 1311 D C 0.634 176.851 176.300 -0.138 0.000 1.332 1311 D CA -0.500 53.482 54.000 -0.029 0.000 0.935 1311 D CB 0.663 41.466 40.800 0.006 0.000 1.440 1311 D HN 0.332 nan 8.370 nan 0.000 0.540 1312 K N -0.324 119.868 120.400 -0.347 0.000 2.147 1312 K HA -0.045 4.275 4.320 -0.000 0.000 0.205 1312 K C 1.541 177.846 176.600 -0.491 0.000 1.049 1312 K CA 1.228 57.229 56.287 -0.477 0.000 0.936 1312 K CB -0.563 31.526 32.500 -0.686 0.000 0.722 1312 K HN 0.316 nan 8.250 nan 0.000 0.446 1313 F N 2.694 122.560 119.950 -0.140 0.000 2.149 1313 F HA -0.122 4.405 4.527 -0.000 0.000 0.294 1313 F C 3.055 178.804 175.800 -0.086 0.000 1.095 1313 F CA 1.371 59.290 58.000 -0.136 0.000 1.276 1313 F CB -1.015 37.877 39.000 -0.180 0.000 1.023 1313 F HN 0.144 nan 8.300 nan 0.000 0.480 1314 T N -2.686 111.934 114.554 0.109 0.000 2.788 1314 T HA -0.186 4.164 4.350 -0.000 0.000 0.268 1314 T C 1.849 176.557 174.700 0.013 0.000 1.044 1314 T CA 1.928 64.063 62.100 0.058 0.000 1.139 1314 T CB -1.164 67.736 68.868 0.054 0.000 0.867 1314 T HN 0.194 nan 8.240 nan 0.000 0.454 1315 T N 2.276 116.819 114.554 -0.019 0.000 2.720 1315 T HA 0.027 4.377 4.350 -0.000 0.000 0.268 1315 T C 1.656 176.335 174.700 -0.034 0.000 1.037 1315 T CA 1.172 63.252 62.100 -0.034 0.000 1.144 1315 T CB -0.494 68.337 68.868 -0.061 0.000 0.864 1315 T HN 0.183 nan 8.240 nan 0.000 0.444 1316 L N 0.291 121.489 121.223 -0.042 0.000 2.456 1316 L HA 0.054 4.394 4.340 -0.000 0.000 0.224 1316 L C 2.012 178.869 176.870 -0.022 0.000 1.148 1316 L CA 0.995 55.814 54.840 -0.036 0.000 0.825 1316 L CB -0.482 41.555 42.059 -0.036 0.000 0.937 1316 L HN 0.388 nan 8.230 nan 0.000 0.450 1317 C N -2.261 117.032 119.300 -0.011 0.000 3.228 1317 C HA 0.276 4.736 4.460 -0.000 0.000 0.290 1317 C C 1.106 176.091 174.990 -0.009 0.000 1.301 1317 C CA -0.808 58.202 59.018 -0.014 0.000 1.703 1317 C CB -0.419 27.314 27.740 -0.012 0.000 2.141 1317 C HN 0.272 nan 8.230 nan 0.000 0.656 1318 V N 1.036 120.947 119.914 -0.005 0.000 2.814 1318 V HA 0.104 4.224 4.120 -0.000 0.000 0.307 1318 V C 0.462 176.554 176.094 -0.004 0.000 1.089 1318 V CA 0.864 63.164 62.300 0.000 0.000 1.212 1318 V CB -0.154 31.668 31.823 -0.000 0.000 0.912 1318 V HN 0.423 nan 8.190 nan 0.000 0.497 1319 T N 5.164 119.718 114.554 0.001 0.000 3.738 1319 T HA 0.452 4.802 4.350 -0.000 0.000 0.231 1319 T C 1.109 175.808 174.700 -0.002 0.000 0.967 1319 T CA 0.956 63.056 62.100 -0.002 0.000 1.227 1319 T CB -0.891 67.979 68.868 0.002 0.000 1.136 1319 T HN 1.846 nan 8.240 nan 0.000 0.807 1320 G N 0.896 109.693 108.800 -0.006 0.000 2.276 1320 G HA2 0.153 4.113 3.960 -0.000 0.000 0.177 1320 G HA3 0.153 4.113 3.960 -0.000 0.000 0.177 1320 G C 0.280 175.175 174.900 -0.008 0.000 1.017 1320 G CA -0.328 44.769 45.100 -0.005 0.000 0.750 1320 G HN 0.929 nan 8.290 nan 0.000 0.506 1321 A N 0.780 123.592 122.820 -0.012 0.000 2.407 1321 A HA 0.597 4.917 4.320 -0.000 0.000 0.257 1321 A C -1.137 176.436 177.584 -0.019 0.000 1.131 1321 A CA -0.063 51.964 52.037 -0.017 0.000 0.803 1321 A CB -0.315 18.673 19.000 -0.020 0.000 1.083 1321 A HN 0.310 nan 8.150 nan 0.000 0.512 1322 P HA 0.127 nan 4.420 nan 0.000 0.257 1322 P C 0.457 177.744 177.300 -0.023 0.000 1.359 1322 P CA 1.393 64.479 63.100 -0.024 0.000 1.239 1322 P CB -0.152 31.530 31.700 -0.030 0.000 1.549 1323 G N 3.596 112.385 108.800 -0.017 0.000 4.262 1323 G HA2 -0.132 3.827 3.960 -0.000 0.000 0.140 1323 G HA3 -0.132 3.827 3.960 -0.000 0.000 0.140 1323 G C 0.378 175.272 174.900 -0.010 0.000 1.200 1323 G CA -0.398 44.692 45.100 -0.016 0.000 1.048 1323 G HN 0.511 nan 8.290 nan 0.000 0.358 1324 N N 2.411 121.106 118.700 -0.008 0.000 2.408 1324 N HA -0.229 4.511 4.740 -0.000 0.000 0.272 1324 N C 1.800 177.312 175.510 0.004 0.000 1.249 1324 N CA 1.420 54.468 53.050 -0.002 0.000 1.017 1324 N CB -1.266 37.221 38.487 -0.001 0.000 1.289 1324 N HN 1.238 nan 8.380 nan 0.000 0.535 1325 C N 0.775 120.077 119.300 0.004 0.000 5.661 1325 C HA -0.313 4.147 4.460 -0.000 0.000 0.319 1325 C C 0.318 175.317 174.990 0.015 0.000 2.377 1325 C CA 1.511 60.536 59.018 0.011 0.000 2.176 1325 C CB -1.917 25.834 27.740 0.018 0.000 3.152 1325 C HN 0.933 nan 8.230 nan 0.000 0.262 1326 K N -1.279 119.136 120.400 0.025 0.000 2.510 1326 K HA 0.379 4.699 4.320 -0.000 0.000 0.327 1326 K C -3.101 173.530 176.600 0.052 0.000 1.309 1326 K CA -0.526 55.777 56.287 0.027 0.000 1.171 1326 K CB -0.910 31.602 32.500 0.020 0.000 1.427 1326 K HN 0.689 nan 8.250 nan 0.000 0.446 1327 P HA -0.038 nan 4.420 nan 0.000 0.268 1327 P C 0.342 177.716 177.300 0.124 0.000 1.204 1327 P CA -0.206 62.948 63.100 0.089 0.000 0.768 1327 P CB 0.554 32.291 31.700 0.061 0.000 0.842 1328 W N 4.004 125.301 121.300 -0.005 0.000 2.321 1328 W HA -0.163 4.497 4.660 -0.000 0.000 0.306 1328 W C 0.399 176.916 176.519 -0.004 0.000 1.217 1328 W CA 2.000 59.342 57.345 -0.004 0.000 1.257 1328 W CB -0.108 29.350 29.460 -0.004 0.000 1.145 1328 W HN 0.554 nan 8.180 nan 0.000 0.509 1329 S N -1.111 114.589 115.700 0.001 0.000 2.579 1329 S HA 0.693 5.163 4.470 -0.000 0.000 0.272 1329 S C -1.281 173.290 174.600 -0.049 0.000 1.141 1329 S CA -1.073 57.014 58.200 -0.188 0.000 0.843 1329 S CB 2.143 65.176 63.200 -0.277 0.000 1.122 1329 S HN 0.002 nan 8.310 nan 0.000 0.468 1330 L N 1.922 123.096 121.223 -0.080 0.000 2.464 1330 L HA 0.555 4.895 4.340 -0.000 0.000 0.266 1330 L C 0.041 176.885 176.870 -0.045 0.000 0.965 1330 L CA -0.952 53.865 54.840 -0.038 0.000 0.833 1330 L CB 2.385 44.422 42.059 -0.037 0.000 1.296 1330 L HN 0.924 nan 8.230 nan 0.000 0.405 1331 R N 1.808 122.295 120.500 -0.022 0.000 2.694 1331 R HA 0.446 4.786 4.340 -0.000 0.000 0.268 1331 R C -0.078 176.207 176.300 -0.025 0.000 1.061 1331 R CA -0.634 55.453 56.100 -0.022 0.000 1.133 1331 R CB 0.501 30.797 30.300 -0.006 0.000 1.020 1331 R HN 0.364 nan 8.270 nan 0.000 0.475 1332 V N 0.000 119.898 119.914 -0.027 0.000 2.409 1332 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 1332 V CA 0.000 62.285 62.300 -0.025 0.000 1.235 1332 V CB 0.000 31.805 31.823 -0.030 0.000 1.184 1332 V HN 0.000 nan 8.190 nan 0.000 0.556