REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3am9_1_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 FTTLCVXXXX XNCKPWSLRV 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 0.000 177.700 177.584 0.193 0.000 1.274 3 A CA 0.000 52.108 52.037 0.118 0.000 0.836 3 A CB 0.000 19.058 19.000 0.096 0.000 0.831 4 D N 0.541 121.055 120.400 0.188 0.000 3.095 4 D HA -0.204 4.435 4.640 -0.001 0.000 0.089 4 D C 0.098 176.635 176.300 0.396 0.000 1.042 4 D CA 1.900 56.050 54.000 0.250 0.000 0.569 4 D CB 0.247 41.096 40.800 0.083 0.000 0.714 4 D HN 0.578 nan 8.370 nan 0.000 0.283 5 E N 0.468 120.860 120.200 0.320 0.000 2.001 5 E HA 0.374 4.723 4.350 -0.001 0.000 0.279 5 E C -0.969 175.878 176.600 0.412 0.000 1.045 5 E CA -0.669 55.910 56.400 0.299 0.000 0.833 5 E CB 0.406 30.225 29.700 0.199 0.000 1.077 5 E HN 0.319 nan 8.360 nan 0.000 0.397 6 L N 5.334 126.738 121.223 0.303 0.000 2.307 6 L HA 0.454 4.794 4.340 -0.001 0.000 0.284 6 L C -1.470 175.600 176.870 0.333 0.000 1.023 6 L CA -0.661 54.375 54.840 0.326 0.000 0.810 6 L CB 1.679 43.650 42.059 -0.148 0.000 1.231 6 L HN 0.284 nan 8.230 nan 0.000 0.423 7 V N 6.944 127.113 119.914 0.424 0.000 2.482 7 V HA 0.591 4.711 4.120 -0.001 0.000 0.295 7 V C -0.493 175.728 176.094 0.211 0.000 1.026 7 V CA -0.382 62.009 62.300 0.152 0.000 0.856 7 V CB 0.901 32.828 31.823 0.173 0.000 1.001 7 V HN 0.738 nan 8.190 nan 0.000 0.424 8 F N 2.621 122.530 119.950 -0.068 0.000 2.754 8 F HA 0.900 5.426 4.527 -0.001 0.000 0.320 8 F C -1.807 173.937 175.800 -0.092 0.000 1.156 8 F CA -1.396 56.631 58.000 0.045 0.000 0.950 8 F CB 1.489 40.497 39.000 0.014 0.000 1.388 8 F HN 0.213 nan 8.300 nan 0.000 0.485 9 F N 0.903 120.867 119.950 0.024 0.000 2.532 9 F HA 0.748 5.275 4.527 -0.001 0.000 0.321 9 F C -0.667 175.138 175.800 0.008 0.000 1.089 9 F CA -1.315 56.626 58.000 -0.099 0.000 0.926 9 F CB 2.289 41.207 39.000 -0.136 0.000 1.168 9 F HN 0.363 nan 8.300 nan 0.000 0.459 10 V N 3.233 123.182 119.914 0.058 0.000 2.482 10 V HA 0.288 4.407 4.120 -0.001 0.000 0.295 10 V C -0.657 175.464 176.094 0.044 0.000 1.026 10 V CA -1.296 61.053 62.300 0.083 0.000 0.856 10 V CB 1.453 33.316 31.823 0.068 0.000 1.001 10 V HN 0.814 nan 8.190 nan 0.000 0.424 11 N N 4.216 122.944 118.700 0.046 0.000 2.727 11 N HA -0.223 4.517 4.740 -0.001 0.000 0.249 11 N C 1.185 176.712 175.510 0.028 0.000 1.048 11 N CA 1.708 54.767 53.050 0.016 0.000 0.714 11 N CB -1.096 37.386 38.487 -0.010 0.000 0.959 11 N HN 1.544 nan 8.380 nan 0.000 0.544 12 G N -1.214 107.625 108.800 0.066 0.000 2.241 12 G HA2 -0.372 3.588 3.960 -0.001 0.000 0.244 12 G HA3 -0.372 3.588 3.960 -0.001 0.000 0.244 12 G C -0.003 174.999 174.900 0.169 0.000 0.998 12 G CA 0.820 45.969 45.100 0.080 0.000 0.621 12 G HN 0.779 nan 8.290 nan 0.000 0.519 13 K N 0.948 121.398 120.400 0.083 0.000 2.182 13 K HA 0.619 4.939 4.320 -0.001 0.000 0.262 13 K C 0.206 176.625 176.600 -0.301 0.000 0.957 13 K CA -0.789 55.476 56.287 -0.036 0.000 0.842 13 K CB 1.040 33.498 32.500 -0.070 0.000 1.099 13 K HN 0.165 nan 8.250 nan 0.000 0.438 14 K N 2.870 122.938 120.400 -0.554 0.000 2.298 14 K HA 0.175 4.495 4.320 -0.001 0.000 0.280 14 K C -1.254 174.905 176.600 -0.735 0.000 1.032 14 K CA -0.552 55.019 56.287 -1.193 0.000 0.958 14 K CB 0.976 32.906 32.500 -0.949 0.000 0.978 14 K HN 0.367 nan 8.250 nan 0.000 0.472 15 V N 5.116 124.524 119.914 -0.843 0.000 2.409 15 V HA 0.277 4.397 4.120 -0.001 0.000 0.291 15 V C -0.843 174.938 176.094 -0.521 0.000 1.020 15 V CA -0.914 60.983 62.300 -0.671 0.000 0.848 15 V CB 1.763 32.963 31.823 -1.038 0.000 0.990 15 V HN 0.560 nan 8.190 nan 0.000 0.430 16 V N 4.161 123.909 119.914 -0.277 0.000 2.326 16 V HA 0.412 4.532 4.120 -0.001 0.000 0.281 16 V C -0.196 175.871 176.094 -0.045 0.000 1.015 16 V CA -0.553 61.672 62.300 -0.125 0.000 0.823 16 V CB 1.553 33.330 31.823 -0.076 0.000 1.009 16 V HN 0.924 nan 8.190 nan 0.000 0.436 17 E N 4.112 124.315 120.200 0.005 0.000 2.035 17 E HA 0.329 4.679 4.350 -0.001 0.000 0.271 17 E C 0.737 177.377 176.600 0.067 0.000 0.953 17 E CA -0.168 56.270 56.400 0.063 0.000 0.777 17 E CB 1.129 30.873 29.700 0.073 0.000 1.104 17 E HN 0.500 nan 8.360 nan 0.000 0.408 18 K N 2.782 123.223 120.400 0.069 0.000 2.288 18 K HA 0.033 4.353 4.320 -0.001 0.000 0.201 18 K C 0.775 177.430 176.600 0.092 0.000 1.048 18 K CA 0.558 56.894 56.287 0.081 0.000 0.956 18 K CB 0.254 32.791 32.500 0.063 0.000 0.746 18 K HN 0.463 nan 8.250 nan 0.000 0.461 19 N N -0.160 118.587 118.700 0.078 0.000 1.784 19 N HA 0.260 4.999 4.740 -0.001 0.000 0.206 19 N C -0.723 174.818 175.510 0.053 0.000 1.201 19 N CA 0.587 53.685 53.050 0.079 0.000 1.029 19 N CB 0.566 39.094 38.487 0.070 0.000 1.344 19 N HN -0.018 nan 8.380 nan 0.000 0.412 20 A N 1.416 124.247 122.820 0.018 0.000 2.421 20 A HA -0.044 4.275 4.320 -0.001 0.000 0.682 20 A C -1.383 176.153 177.584 -0.081 0.000 0.138 20 A CA -0.542 51.433 52.037 -0.104 0.000 0.048 20 A CB -1.258 17.531 19.000 -0.352 0.000 3.950 20 A HN 0.461 nan 8.150 nan 0.000 0.546 21 D N 4.090 124.450 120.400 -0.066 0.000 2.280 21 D HA 0.519 5.158 4.640 -0.001 0.000 0.243 21 D C -1.361 174.886 176.300 -0.088 0.000 1.129 21 D CA -1.729 52.256 54.000 -0.025 0.000 0.848 21 D CB 1.453 42.255 40.800 0.004 0.000 1.107 21 D HN 0.145 nan 8.370 nan 0.000 0.471 22 P HA -0.093 nan 4.420 nan 0.000 0.221 22 P C 0.529 177.831 177.300 0.004 0.000 1.145 22 P CA 1.013 64.100 63.100 -0.021 0.000 0.795 22 P CB 0.340 32.233 31.700 0.322 0.000 0.775 23 E N -1.663 118.556 120.200 0.032 0.000 2.481 23 E HA 0.004 4.354 4.350 -0.001 0.000 0.195 23 E C 0.085 176.672 176.600 -0.021 0.000 1.047 23 E CA 0.342 56.761 56.400 0.033 0.000 0.867 23 E CB -0.307 29.416 29.700 0.038 0.000 0.858 23 E HN 0.207 nan 8.360 nan 0.000 0.513 24 T N 2.405 116.921 114.554 -0.064 0.000 2.769 24 T HA 0.060 4.410 4.350 -0.001 0.000 0.293 24 T C 0.391 175.039 174.700 -0.087 0.000 0.931 24 T CA -0.151 61.915 62.100 -0.056 0.000 1.139 24 T CB 0.777 69.630 68.868 -0.024 0.000 0.881 24 T HN 0.160 nan 8.240 nan 0.000 0.532 25 T N 1.693 116.222 114.554 -0.042 0.000 2.868 25 T HA 0.249 4.599 4.350 -0.001 0.000 0.292 25 T C 1.404 176.084 174.700 -0.033 0.000 1.028 25 T CA -0.968 61.107 62.100 -0.041 0.000 1.059 25 T CB 0.647 69.514 68.868 -0.000 0.000 0.991 25 T HN 0.262 nan 8.240 nan 0.000 0.531 26 L N 1.501 122.688 121.223 -0.059 0.000 2.083 26 L HA 0.068 4.408 4.340 -0.001 0.000 0.209 26 L C 2.190 179.095 176.870 0.057 0.000 1.083 26 L CA 1.537 56.355 54.840 -0.035 0.000 0.752 26 L CB -1.319 40.693 42.059 -0.079 0.000 0.899 26 L HN 0.799 nan 8.230 nan 0.000 0.433 27 L N 0.082 121.328 121.223 0.038 0.000 1.989 27 L HA -0.137 4.203 4.340 -0.001 0.000 0.211 27 L C 2.559 179.459 176.870 0.050 0.000 1.071 27 L CA 2.278 57.145 54.840 0.045 0.000 0.749 27 L CB -1.284 40.799 42.059 0.041 0.000 0.890 27 L HN 0.269 nan 8.230 nan 0.000 0.431 28 A N -1.412 121.432 122.820 0.040 0.000 1.892 28 A HA -0.340 3.980 4.320 -0.001 0.000 0.218 28 A C 2.351 179.969 177.584 0.057 0.000 1.188 28 A CA 2.273 54.324 52.037 0.023 0.000 0.631 28 A CB -1.391 17.606 19.000 -0.004 0.000 0.822 28 A HN 0.677 nan 8.150 nan 0.000 0.447 29 Y N 0.042 120.326 120.300 -0.027 0.000 2.242 29 Y HA -0.078 4.471 4.550 -0.000 0.000 0.291 29 Y C 2.071 177.981 175.900 0.017 0.000 1.137 29 Y CA 1.677 59.776 58.100 -0.001 0.000 1.181 29 Y CB -0.156 38.320 38.460 0.026 0.000 0.989 29 Y HN 0.235 nan 8.280 nan 0.000 0.527 30 L N -0.437 120.900 121.223 0.190 0.000 2.017 30 L HA -0.248 4.092 4.340 -0.001 0.000 0.208 30 L C 2.516 179.393 176.870 0.011 0.000 1.073 30 L CA 1.679 56.582 54.840 0.105 0.000 0.745 30 L CB -0.475 41.638 42.059 0.089 0.000 0.894 30 L HN 0.108 nan 8.230 nan 0.000 0.432 31 R N -0.412 120.092 120.500 0.007 0.000 2.073 31 R HA -0.045 4.294 4.340 -0.001 0.000 0.229 31 R C 2.289 178.569 176.300 -0.035 0.000 1.120 31 R CA 1.054 57.150 56.100 -0.006 0.000 0.967 31 R CB -0.088 30.219 30.300 0.012 0.000 0.862 31 R HN 0.354 nan 8.270 nan 0.000 0.436 32 R N -0.571 119.889 120.500 -0.066 0.000 2.254 32 R HA 0.089 4.429 4.340 -0.001 0.000 0.193 32 R C 1.716 177.925 176.300 -0.153 0.000 0.929 32 R CA 0.439 56.489 56.100 -0.085 0.000 1.038 32 R CB 0.273 30.523 30.300 -0.082 0.000 1.009 32 R HN -0.104 nan 8.270 nan 0.000 0.512 33 K N 0.537 120.772 120.400 -0.275 0.000 2.329 33 K HA 0.223 4.542 4.320 -0.001 0.000 0.198 33 K C 1.414 177.821 176.600 -0.322 0.000 1.085 33 K CA 0.522 56.569 56.287 -0.400 0.000 0.961 33 K CB 0.509 32.492 32.500 -0.862 0.000 0.971 33 K HN -0.027 nan 8.250 nan 0.000 0.502 34 L N -0.220 120.844 121.223 -0.265 0.000 2.567 34 L HA 0.272 4.612 4.340 -0.001 0.000 0.225 34 L C 0.680 177.497 176.870 -0.088 0.000 1.119 34 L CA 0.381 55.135 54.840 -0.143 0.000 0.871 34 L CB -0.005 42.022 42.059 -0.053 0.000 1.036 34 L HN 0.463 nan 8.230 nan 0.000 0.459 35 G N 1.578 110.328 108.800 -0.084 0.000 2.305 35 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.287 35 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.287 35 G C 0.114 174.992 174.900 -0.036 0.000 1.036 35 G CA 0.090 45.156 45.100 -0.056 0.000 0.887 35 G HN 0.309 nan 8.290 nan 0.000 0.505 36 L N -0.297 120.911 121.223 -0.025 0.000 2.353 36 L HA 0.392 4.732 4.340 -0.001 0.000 0.269 36 L C 1.575 178.441 176.870 -0.007 0.000 1.085 36 L CA -0.673 54.160 54.840 -0.013 0.000 0.938 36 L CB 0.784 42.841 42.059 -0.002 0.000 1.312 36 L HN 0.151 nan 8.230 nan 0.000 0.429 37 R N 1.102 121.599 120.500 -0.004 0.000 2.335 37 R HA 0.069 4.409 4.340 -0.001 0.000 0.223 37 R C 1.856 178.155 176.300 -0.002 0.000 0.940 37 R CA 0.361 56.465 56.100 0.006 0.000 1.086 37 R CB 0.205 30.519 30.300 0.023 0.000 1.073 37 R HN 0.741 nan 8.270 nan 0.000 0.504 38 G N 0.334 109.125 108.800 -0.014 0.000 2.464 38 G HA2 -0.121 3.839 3.960 -0.001 0.000 0.217 38 G HA3 -0.121 3.839 3.960 -0.001 0.000 0.217 38 G C 0.513 175.367 174.900 -0.076 0.000 1.138 38 G CA 0.239 45.321 45.100 -0.030 0.000 0.793 38 G HN 0.170 nan 8.290 nan 0.000 0.539 39 T N 2.267 116.786 114.554 -0.059 0.000 2.851 39 T HA 0.437 4.787 4.350 -0.001 0.000 0.298 39 T C -0.116 174.518 174.700 -0.110 0.000 0.977 39 T CA -0.126 61.932 62.100 -0.070 0.000 1.126 39 T CB 1.520 70.374 68.868 -0.024 0.000 0.916 39 T HN -0.054 nan 8.240 nan 0.000 0.529 40 K N 2.015 122.301 120.400 -0.189 0.000 2.208 40 K HA 0.490 4.810 4.320 -0.001 0.000 0.247 40 K C -0.599 175.956 176.600 -0.074 0.000 0.953 40 K CA -1.140 54.974 56.287 -0.288 0.000 0.837 40 K CB 2.069 34.024 32.500 -0.909 0.000 1.131 40 K HN 0.400 nan 8.250 nan 0.000 0.431 41 L N 1.099 122.359 121.223 0.061 0.000 2.260 41 L HA 0.390 4.730 4.340 -0.001 0.000 0.289 41 L C 0.828 177.870 176.870 0.286 0.000 1.057 41 L CA 0.621 55.553 54.840 0.153 0.000 0.811 41 L CB 0.958 43.106 42.059 0.150 0.000 1.184 41 L HN 0.834 nan 8.230 nan 0.000 0.429 42 G N 2.326 111.279 108.800 0.254 0.000 2.748 42 G HA2 0.063 4.023 3.960 -0.001 0.000 0.204 42 G HA3 0.063 4.023 3.960 -0.001 0.000 0.204 42 G C 0.790 175.814 174.900 0.207 0.000 1.095 42 G CA 0.706 45.978 45.100 0.287 0.000 0.775 42 G HN 0.870 nan 8.290 nan 0.000 0.531 43 C N -3.562 115.871 119.300 0.222 0.000 4.673 43 C HA 0.544 5.004 4.460 -0.001 0.000 0.528 43 C C 1.923 177.088 174.990 0.292 0.000 1.406 43 C CA 0.505 59.666 59.018 0.238 0.000 2.438 43 C CB 0.171 28.085 27.740 0.289 0.000 3.494 43 C HN 1.424 nan 8.230 nan 0.000 0.537 44 G N 1.609 110.565 108.800 0.261 0.000 2.179 44 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.257 44 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.257 44 G C 0.303 175.440 174.900 0.396 0.000 1.010 44 G CA 1.059 46.330 45.100 0.285 0.000 0.736 44 G HN 0.842 nan 8.290 nan 0.000 0.513 45 E N -1.211 119.170 120.200 0.302 0.000 2.676 45 E HA 0.392 4.741 4.350 -0.001 0.000 0.225 45 E C 1.751 178.445 176.600 0.157 0.000 0.944 45 E CA 0.522 57.055 56.400 0.222 0.000 1.156 45 E CB -0.107 29.636 29.700 0.072 0.000 1.117 45 E HN 1.323 nan 8.360 nan 0.000 0.523 46 G N 0.381 109.283 108.800 0.170 0.000 2.184 46 G HA2 -0.319 3.641 3.960 -0.001 0.000 0.264 46 G HA3 -0.319 3.641 3.960 -0.001 0.000 0.264 46 G C 0.835 175.821 174.900 0.143 0.000 0.975 46 G CA 0.354 45.542 45.100 0.147 0.000 0.642 46 G HN 0.451 nan 8.290 nan 0.000 0.536 47 G N -0.556 108.338 108.800 0.156 0.000 2.744 47 G HA2 0.232 4.192 3.960 -0.001 0.000 0.211 47 G HA3 0.232 4.192 3.960 -0.001 0.000 0.211 47 G C 1.748 176.761 174.900 0.188 0.000 1.146 47 G CA 1.902 47.092 45.100 0.150 0.000 0.787 47 G HN 1.493 nan 8.290 nan 0.000 0.534 48 C N -2.318 117.122 119.300 0.233 0.000 2.935 48 C HA 0.574 5.034 4.460 -0.001 0.000 0.308 48 C C 2.239 177.378 174.990 0.249 0.000 1.263 48 C CA 0.595 59.778 59.018 0.275 0.000 1.738 48 C CB -0.048 27.913 27.740 0.369 0.000 2.237 48 C HN 1.050 nan 8.230 nan 0.000 0.600 49 G N 1.017 109.942 108.800 0.209 0.000 2.184 49 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.264 49 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.264 49 G C 1.214 176.210 174.900 0.161 0.000 0.975 49 G CA 0.751 45.964 45.100 0.188 0.000 0.642 49 G HN 1.495 nan 8.290 nan 0.000 0.536 50 A N -0.239 122.672 122.820 0.151 0.000 2.125 50 A HA 0.152 4.472 4.320 -0.001 0.000 0.219 50 A C 2.391 179.983 177.584 0.013 0.000 1.156 50 A CA 2.312 54.391 52.037 0.070 0.000 0.671 50 A CB -0.804 18.234 19.000 0.063 0.000 0.794 50 A HN 1.791 nan 8.150 nan 0.000 0.459 51 C N -2.009 117.324 119.300 0.055 0.000 2.688 51 C HA 0.380 4.840 4.460 -0.001 0.000 0.297 51 C C 0.790 175.807 174.990 0.045 0.000 1.308 51 C CA -0.582 58.457 59.018 0.035 0.000 1.726 51 C CB -2.090 25.685 27.740 0.058 0.000 1.982 51 C HN 0.299 nan 8.230 nan 0.000 0.604 52 T N 2.752 117.343 114.554 0.062 0.000 2.928 52 T HA 0.421 4.771 4.350 -0.001 0.000 0.305 52 T C 0.357 175.078 174.700 0.036 0.000 1.035 52 T CA 0.820 62.959 62.100 0.066 0.000 1.145 52 T CB 0.811 69.737 68.868 0.096 0.000 0.963 52 T HN 0.938 nan 8.240 nan 0.000 0.545 53 V N 1.043 120.971 119.914 0.023 0.000 3.182 53 V HA 0.759 4.879 4.120 -0.001 0.000 0.308 53 V C -0.730 175.353 176.094 -0.019 0.000 1.240 53 V CA -1.444 60.855 62.300 -0.002 0.000 1.063 53 V CB 2.326 34.143 31.823 -0.009 0.000 1.076 53 V HN 0.841 nan 8.190 nan 0.000 0.446 54 M N 1.738 121.320 119.600 -0.030 0.000 2.404 54 M HA 0.699 5.179 4.480 -0.001 0.000 0.338 54 M C -1.634 174.590 176.300 -0.126 0.000 1.150 54 M CA -0.667 54.599 55.300 -0.056 0.000 1.016 54 M CB 1.558 34.188 32.600 0.049 0.000 1.672 54 M HN 0.731 nan 8.290 nan 0.000 0.448 55 L N 2.283 123.302 121.223 -0.340 0.000 2.342 55 L HA 0.678 5.018 4.340 -0.001 0.000 0.271 55 L C -0.710 175.956 176.870 -0.340 0.000 1.008 55 L CA -0.680 53.912 54.840 -0.413 0.000 0.818 55 L CB 2.331 43.912 42.059 -0.796 0.000 1.296 55 L HN 0.662 nan 8.230 nan 0.000 0.427 56 S N 1.518 117.204 115.700 -0.023 0.000 2.547 56 S HA 0.656 5.125 4.470 -0.001 0.000 0.281 56 S C -1.290 173.490 174.600 0.300 0.000 1.118 56 S CA -0.904 57.396 58.200 0.168 0.000 0.947 56 S CB 2.271 65.742 63.200 0.452 0.000 1.053 56 S HN 0.640 nan 8.310 nan 0.000 0.482 57 K N 0.822 121.336 120.400 0.190 0.000 2.556 57 K HA 0.385 4.705 4.320 -0.001 0.000 0.274 57 K C -1.760 174.793 176.600 -0.078 0.000 0.966 57 K CA -0.968 55.462 56.287 0.238 0.000 0.865 57 K CB 1.209 33.877 32.500 0.280 0.000 1.444 57 K HN 0.533 nan 8.250 nan 0.000 0.433 58 Y N 2.253 122.454 120.300 -0.165 0.000 2.537 58 Y HA 0.032 4.582 4.550 0.001 0.000 0.339 58 Y C -0.217 175.622 175.900 -0.102 0.000 1.066 58 Y CA 0.244 58.205 58.100 -0.232 0.000 1.357 58 Y CB 0.581 38.936 38.460 -0.176 0.000 1.175 58 Y HN 0.605 nan 8.280 nan 0.000 0.525 59 D N 5.957 126.066 120.400 -0.485 0.000 2.316 59 D HA 0.069 4.709 4.640 -0.001 0.000 0.245 59 D C 0.878 176.886 176.300 -0.486 0.000 1.171 59 D CA -0.171 53.632 54.000 -0.329 0.000 0.856 59 D CB 1.026 41.669 40.800 -0.261 0.000 1.090 59 D HN 0.787 nan 8.370 nan 0.000 0.476 60 R N 3.779 124.210 120.500 -0.116 0.000 2.093 60 R HA 0.043 4.383 4.340 -0.001 0.000 0.224 60 R C 1.748 178.036 176.300 -0.019 0.000 1.101 60 R CA 0.624 56.775 56.100 0.084 0.000 0.979 60 R CB -0.318 30.081 30.300 0.166 0.000 0.877 60 R HN 0.458 nan 8.270 nan 0.000 0.441 61 L N 0.827 122.020 121.223 -0.049 0.000 2.798 61 L HA 0.069 4.409 4.340 -0.001 0.000 0.254 61 L C 0.768 177.586 176.870 -0.086 0.000 1.176 61 L CA 0.810 55.621 54.840 -0.049 0.000 0.991 61 L CB -0.053 41.985 42.059 -0.035 0.000 1.225 61 L HN 0.477 nan 8.230 nan 0.000 0.420 62 Q N -1.380 118.339 119.800 -0.134 0.000 1.518 62 Q HA -0.068 4.271 4.340 -0.001 0.000 0.149 62 Q C -0.188 175.684 176.000 -0.213 0.000 0.714 62 Q CA 0.133 55.839 55.803 -0.161 0.000 0.699 62 Q CB 0.485 29.117 28.738 -0.176 0.000 1.172 62 Q HN 0.283 nan 8.270 nan 0.000 0.352 63 D N 1.220 121.451 120.400 -0.283 0.000 2.723 63 D HA -0.181 4.459 4.640 -0.001 0.000 0.236 63 D C -0.771 175.307 176.300 -0.370 0.000 1.138 63 D CA 1.860 55.711 54.000 -0.248 0.000 0.676 63 D CB -0.559 40.219 40.800 -0.036 0.000 1.069 63 D HN 0.387 nan 8.370 nan 0.000 0.430 64 K N -0.199 119.768 120.400 -0.722 0.000 2.568 64 K HA 0.341 4.660 4.320 -0.001 0.000 0.273 64 K C -0.551 175.700 176.600 -0.582 0.000 0.951 64 K CA -0.910 55.094 56.287 -0.472 0.000 0.854 64 K CB 0.925 33.251 32.500 -0.290 0.000 1.424 64 K HN -0.128 nan 8.250 nan 0.000 0.427 65 I N 5.315 125.617 120.570 -0.446 0.000 2.533 65 I HA 0.149 4.318 4.170 -0.001 0.000 0.284 65 I C 0.637 176.442 176.117 -0.520 0.000 1.109 65 I CA 0.006 60.965 61.300 -0.568 0.000 1.412 65 I CB -0.570 37.071 38.000 -0.599 0.000 1.396 65 I HN 0.524 nan 8.210 nan 0.000 0.543 66 I N 4.619 124.912 120.570 -0.462 0.000 2.607 66 I HA 0.562 4.732 4.170 -0.001 0.000 0.305 66 I C -0.592 175.283 176.117 -0.403 0.000 0.995 66 I CA -0.548 60.551 61.300 -0.334 0.000 1.148 66 I CB 2.102 40.039 38.000 -0.105 0.000 1.323 66 I HN 0.377 nan 8.210 nan 0.000 0.461 67 H N 4.950 124.100 119.070 0.134 0.000 2.667 67 H HA 0.603 5.159 4.556 -0.000 0.000 0.353 67 H C -1.292 174.165 175.328 0.214 0.000 1.072 67 H CA -0.390 55.718 56.048 0.099 0.000 1.214 67 H CB 1.889 31.650 29.762 -0.002 0.000 1.600 67 H HN 0.737 nan 8.280 nan 0.000 0.527 68 F N -0.490 119.521 119.950 0.101 0.000 2.662 68 F HA 0.582 5.109 4.527 -0.001 0.000 0.312 68 F C -0.327 175.504 175.800 0.052 0.000 1.113 68 F CA -1.248 56.777 58.000 0.042 0.000 0.951 68 F CB 1.178 40.185 39.000 0.012 0.000 1.344 68 F HN 0.368 nan 8.300 nan 0.000 0.462 69 S N 1.089 116.879 115.700 0.150 0.000 2.687 69 S HA 0.953 5.423 4.470 -0.001 0.000 0.283 69 S C -0.578 174.104 174.600 0.136 0.000 1.170 69 S CA -0.082 58.155 58.200 0.062 0.000 1.008 69 S CB 1.537 64.773 63.200 0.060 0.000 1.026 69 S HN 1.659 nan 8.310 nan 0.000 0.541 70 A N 1.281 124.148 122.820 0.077 0.000 2.606 70 A HA 0.638 4.957 4.320 -0.001 0.000 0.293 70 A C -1.201 176.433 177.584 0.083 0.000 1.082 70 A CA -1.048 51.057 52.037 0.113 0.000 0.685 70 A CB 0.953 20.014 19.000 0.101 0.000 1.284 70 A HN 0.772 nan 8.150 nan 0.000 0.408 71 N N 1.277 120.036 118.700 0.098 0.000 2.411 71 N HA 0.345 5.085 4.740 -0.001 0.000 0.259 71 N C 1.071 176.625 175.510 0.073 0.000 1.103 71 N CA 0.587 53.693 53.050 0.093 0.000 0.954 71 N CB 1.746 40.301 38.487 0.113 0.000 1.085 71 N HN 0.765 nan 8.380 nan 0.000 0.485 72 A N 1.795 124.649 122.820 0.056 0.000 2.067 72 A HA -0.138 4.182 4.320 -0.001 0.000 0.219 72 A C 2.241 179.852 177.584 0.046 0.000 1.158 72 A CA 0.917 52.977 52.037 0.037 0.000 0.661 72 A CB -0.561 18.456 19.000 0.029 0.000 0.801 72 A HN 0.883 nan 8.150 nan 0.000 0.452 73 C N -2.099 117.243 119.300 0.070 0.000 2.437 73 C HA 0.224 4.684 4.460 -0.001 0.000 0.283 73 C C 1.926 176.968 174.990 0.088 0.000 1.424 73 C CA 0.808 59.876 59.018 0.082 0.000 1.782 73 C CB -1.404 26.405 27.740 0.115 0.000 1.833 73 C HN 0.456 nan 8.230 nan 0.000 0.532 74 L N 0.224 121.502 121.223 0.091 0.000 2.781 74 L HA 0.369 4.709 4.340 -0.001 0.000 0.245 74 L C 1.460 178.380 176.870 0.082 0.000 1.118 74 L CA 0.239 55.141 54.840 0.103 0.000 0.918 74 L CB -0.117 42.018 42.059 0.127 0.000 1.246 74 L HN 0.218 nan 8.230 nan 0.000 0.526 75 A N 1.782 124.634 122.820 0.052 0.000 2.350 75 A HA 0.476 4.796 4.320 -0.001 0.000 0.293 75 A C -2.387 175.168 177.584 -0.048 0.000 1.231 75 A CA -1.196 50.855 52.037 0.022 0.000 0.883 75 A CB -0.441 18.564 19.000 0.008 0.000 1.133 75 A HN -0.108 nan 8.150 nan 0.000 0.533 76 P HA 0.062 nan 4.420 nan 0.000 0.271 76 P C 1.219 178.296 177.300 -0.372 0.000 1.226 76 P CA -0.218 62.763 63.100 -0.198 0.000 0.765 76 P CB 0.405 31.973 31.700 -0.219 0.000 0.835 77 I N 0.151 120.453 120.570 -0.447 0.000 2.530 77 I HA -0.240 3.930 4.170 -0.001 0.000 0.257 77 I C 1.022 176.686 176.117 -0.755 0.000 1.179 77 I CA 1.453 62.357 61.300 -0.659 0.000 1.440 77 I CB -0.966 36.575 38.000 -0.764 0.000 1.087 77 I HN 0.161 nan 8.210 nan 0.000 0.440 78 C N 1.972 120.730 119.300 -0.903 0.000 2.491 78 C HA -0.026 4.433 4.460 -0.001 0.000 0.277 78 C C 2.779 177.326 174.990 -0.739 0.000 1.455 78 C CA 1.337 59.645 59.018 -1.183 0.000 1.758 78 C CB -1.755 24.801 27.740 -1.973 0.000 1.745 78 C HN 0.718 nan 8.230 nan 0.000 0.558 79 T N -2.375 111.922 114.554 -0.429 0.000 3.129 79 T HA 0.178 4.528 4.350 -0.001 0.000 0.251 79 T C 0.973 175.685 174.700 0.020 0.000 1.117 79 T CA 0.637 62.721 62.100 -0.026 0.000 1.034 79 T CB -0.246 68.674 68.868 0.087 0.000 0.968 79 T HN 0.486 nan 8.240 nan 0.000 0.526 80 L N 0.561 121.701 121.223 -0.138 0.000 2.818 80 L HA 0.368 4.707 4.340 -0.001 0.000 0.243 80 L C 0.538 177.457 176.870 0.081 0.000 1.185 80 L CA -0.676 54.106 54.840 -0.095 0.000 0.988 80 L CB -0.498 41.284 42.059 -0.462 0.000 1.292 80 L HN 0.291 nan 8.230 nan 0.000 0.519 81 H N 0.862 120.014 119.070 0.138 0.000 3.125 81 H HA -0.070 4.485 4.556 -0.002 0.000 0.310 81 H C 0.464 176.019 175.328 0.379 0.000 0.980 81 H CA 0.938 57.160 56.048 0.291 0.000 1.422 81 H CB -0.118 29.886 29.762 0.404 0.000 1.432 81 H HN 0.217 nan 8.280 nan 0.000 0.577 82 H N 0.937 119.993 119.070 -0.023 0.000 2.820 82 H HA -0.166 4.389 4.556 -0.002 0.000 0.295 82 H C -0.657 174.785 175.328 0.190 0.000 1.187 82 H CA 0.131 56.213 56.048 0.056 0.000 1.144 82 H CB -1.442 28.318 29.762 -0.004 0.000 1.354 82 H HN 0.156 nan 8.280 nan 0.000 0.395 83 V N 0.157 120.282 119.914 0.351 0.000 2.667 83 V HA 0.682 4.801 4.120 -0.001 0.000 0.308 83 V C 0.306 176.566 176.094 0.276 0.000 1.048 83 V CA -0.231 62.242 62.300 0.288 0.000 0.928 83 V CB 1.940 33.896 31.823 0.223 0.000 1.004 83 V HN 0.394 nan 8.190 nan 0.000 0.444 84 A N 3.947 126.887 122.820 0.200 0.000 2.271 84 A HA 0.743 5.062 4.320 -0.001 0.000 0.317 84 A C -0.590 177.077 177.584 0.138 0.000 1.245 84 A CA -0.436 51.688 52.037 0.145 0.000 0.857 84 A CB 0.859 19.818 19.000 -0.069 0.000 1.175 84 A HN 0.639 nan 8.150 nan 0.000 0.512 85 V N 2.818 122.834 119.914 0.170 0.000 2.465 85 V HA 0.441 4.561 4.120 -0.001 0.000 0.279 85 V C 0.322 176.456 176.094 0.066 0.000 1.045 85 V CA -0.076 62.285 62.300 0.102 0.000 0.938 85 V CB 1.462 33.370 31.823 0.142 0.000 0.986 85 V HN 0.900 nan 8.190 nan 0.000 0.467 86 T N 3.352 117.920 114.554 0.023 0.000 2.786 86 T HA 0.553 4.902 4.350 -0.001 0.000 0.283 86 T C 0.169 174.837 174.700 -0.054 0.000 0.992 86 T CA -0.531 61.558 62.100 -0.018 0.000 0.954 86 T CB 1.400 70.252 68.868 -0.027 0.000 0.934 86 T HN 0.908 nan 8.240 nan 0.000 0.440 87 T N -0.917 113.598 114.554 -0.065 0.000 2.937 87 T HA 0.438 4.788 4.350 -0.001 0.000 0.283 87 T C 1.516 176.139 174.700 -0.129 0.000 1.012 87 T CA -0.672 61.386 62.100 -0.070 0.000 0.997 87 T CB 1.238 70.086 68.868 -0.033 0.000 1.136 87 T HN 0.206 nan 8.240 nan 0.000 0.551 88 V N 1.332 121.183 119.914 -0.106 0.000 2.453 88 V HA -0.146 3.973 4.120 -0.001 0.000 0.252 88 V C 2.494 178.519 176.094 -0.115 0.000 1.068 88 V CA 2.539 64.767 62.300 -0.121 0.000 1.070 88 V CB -1.028 30.758 31.823 -0.062 0.000 0.664 88 V HN 0.961 nan 8.190 nan 0.000 0.461 89 E N -0.056 120.096 120.200 -0.081 0.000 2.427 89 E HA 0.004 4.354 4.350 -0.001 0.000 0.196 89 E C 2.024 178.577 176.600 -0.079 0.000 1.028 89 E CA 1.038 57.399 56.400 -0.065 0.000 0.864 89 E CB -0.558 29.119 29.700 -0.038 0.000 0.813 89 E HN 0.606 nan 8.360 nan 0.000 0.514 90 G N 2.252 110.986 108.800 -0.111 0.000 2.650 90 G HA2 -0.031 3.928 3.960 -0.001 0.000 0.214 90 G HA3 -0.031 3.928 3.960 -0.001 0.000 0.214 90 G C 1.639 176.437 174.900 -0.171 0.000 1.136 90 G CA 0.590 45.621 45.100 -0.115 0.000 0.789 90 G HN 0.457 nan 8.290 nan 0.000 0.536 91 I N -3.366 117.051 120.570 -0.255 0.000 3.854 91 I HA 0.569 4.739 4.170 -0.001 0.000 0.312 91 I C 0.723 176.783 176.117 -0.096 0.000 1.273 91 I CA 0.348 61.443 61.300 -0.342 0.000 1.298 91 I CB 0.721 38.202 38.000 -0.865 0.000 1.071 91 I HN 0.086 nan 8.210 nan 0.000 0.428 92 G N 0.692 109.459 108.800 -0.055 0.000 2.321 92 G HA2 0.414 4.373 3.960 -0.001 0.000 0.298 92 G HA3 0.414 4.373 3.960 -0.001 0.000 0.298 92 G C -1.415 173.486 174.900 0.001 0.000 1.385 92 G CA 0.052 45.161 45.100 0.015 0.000 0.856 92 G HN 0.551 nan 8.290 nan 0.000 0.584 93 S N -2.111 113.598 115.700 0.015 0.000 2.578 93 S HA 0.627 5.097 4.470 -0.001 0.000 0.272 93 S C 0.955 175.565 174.600 0.017 0.000 1.145 93 S CA 1.051 59.257 58.200 0.010 0.000 0.835 93 S CB 1.077 64.277 63.200 -0.001 0.000 1.104 93 S HN 2.176 nan 8.310 nan 0.000 0.458 94 T N -0.231 114.333 114.554 0.017 0.000 3.085 94 T HA 0.170 4.520 4.350 -0.001 0.000 0.263 94 T C 1.083 175.790 174.700 0.011 0.000 1.127 94 T CA 0.661 62.773 62.100 0.019 0.000 1.103 94 T CB -0.461 68.421 68.868 0.024 0.000 0.921 94 T HN 0.659 nan 8.240 nan 0.000 0.510 95 K N 1.028 121.432 120.400 0.006 0.000 2.361 95 K HA 0.091 4.410 4.320 -0.001 0.000 0.196 95 K C 2.045 178.647 176.600 0.002 0.000 1.039 95 K CA 1.128 57.415 56.287 0.000 0.000 1.001 95 K CB 0.225 32.721 32.500 -0.006 0.000 0.795 95 K HN 0.637 nan 8.250 nan 0.000 0.495 96 T N -0.940 113.618 114.554 0.007 0.000 3.330 96 T HA 0.181 4.530 4.350 -0.001 0.000 0.185 96 T C 0.299 175.008 174.700 0.016 0.000 0.874 96 T CA -0.655 61.451 62.100 0.009 0.000 1.268 96 T CB 0.019 68.893 68.868 0.010 0.000 1.866 96 T HN 0.086 nan 8.240 nan 0.000 0.395 97 R N 0.299 120.813 120.500 0.022 0.000 2.707 97 R HA 0.635 4.974 4.340 -0.001 0.000 0.272 97 R C -1.398 174.925 176.300 0.038 0.000 1.011 97 R CA -0.976 55.140 56.100 0.027 0.000 0.893 97 R CB 1.059 31.375 30.300 0.026 0.000 1.233 97 R HN 0.351 nan 8.270 nan 0.000 0.464 98 L N 2.037 123.283 121.223 0.039 0.000 2.439 98 L HA 0.220 4.560 4.340 -0.001 0.000 0.269 98 L C 1.075 177.992 176.870 0.077 0.000 1.179 98 L CA -0.459 54.416 54.840 0.058 0.000 0.828 98 L CB 0.281 42.367 42.059 0.044 0.000 1.106 98 L HN 0.496 nan 8.230 nan 0.000 0.467 99 H N 3.814 122.898 119.070 0.023 0.000 2.771 99 H HA 0.021 4.577 4.556 -0.001 0.000 0.364 99 H C -1.737 173.639 175.328 0.080 0.000 1.133 99 H CA -1.070 55.010 56.048 0.053 0.000 1.423 99 H CB 1.651 31.438 29.762 0.042 0.000 1.425 99 H HN 0.349 nan 8.280 nan 0.000 0.606 100 P HA -0.197 nan 4.420 nan 0.000 0.216 100 P C 1.751 179.195 177.300 0.241 0.000 1.154 100 P CA 1.027 64.092 63.100 -0.059 0.000 0.865 100 P CB 0.201 31.890 31.700 -0.019 0.000 0.789 101 V N -0.413 119.790 119.914 0.482 0.000 2.332 101 V HA -0.291 3.828 4.120 -0.001 0.000 0.248 101 V C 2.472 178.795 176.094 0.381 0.000 1.055 101 V CA 1.930 64.498 62.300 0.446 0.000 1.038 101 V CB -1.296 30.677 31.823 0.251 0.000 0.651 101 V HN 0.211 nan 8.190 nan 0.000 0.450 102 Q N -0.460 119.500 119.800 0.267 0.000 2.083 102 Q HA -0.212 4.128 4.340 -0.001 0.000 0.198 102 Q C 2.378 178.420 176.000 0.071 0.000 0.969 102 Q CA 1.594 57.494 55.803 0.160 0.000 0.838 102 Q CB -0.191 28.618 28.738 0.117 0.000 0.900 102 Q HN 0.733 nan 8.270 nan 0.000 0.436 103 E N 1.212 121.424 120.200 0.019 0.000 2.077 103 E HA -0.211 4.139 4.350 -0.001 0.000 0.193 103 E C 1.910 178.358 176.600 -0.253 0.000 0.989 103 E CA 0.950 57.293 56.400 -0.095 0.000 0.800 103 E CB 0.156 29.783 29.700 -0.122 0.000 0.746 103 E HN 0.249 nan 8.360 nan 0.000 0.452 104 R N 0.120 120.421 120.500 -0.331 0.000 2.119 104 R HA 0.023 4.363 4.340 -0.001 0.000 0.222 104 R C 2.546 178.654 176.300 -0.320 0.000 1.088 104 R CA 0.911 56.640 56.100 -0.618 0.000 0.984 104 R CB -0.238 29.668 30.300 -0.656 0.000 0.884 104 R HN 0.311 nan 8.270 nan 0.000 0.447 105 I N 0.711 121.225 120.570 -0.094 0.000 2.439 105 I HA -0.159 4.010 4.170 -0.001 0.000 0.251 105 I C 2.174 178.170 176.117 -0.202 0.000 1.139 105 I CA 0.838 61.999 61.300 -0.231 0.000 1.438 105 I CB -0.027 37.901 38.000 -0.121 0.000 1.085 105 I HN 0.129 nan 8.210 nan 0.000 0.427 106 A N 0.763 123.503 122.820 -0.133 0.000 1.855 106 A HA -0.210 4.110 4.320 -0.001 0.000 0.215 106 A C 2.285 179.750 177.584 -0.197 0.000 1.191 106 A CA 1.604 53.572 52.037 -0.115 0.000 0.613 106 A CB -0.466 18.505 19.000 -0.049 0.000 0.829 106 A HN 0.361 nan 8.150 nan 0.000 0.442 107 K N 0.307 120.576 120.400 -0.218 0.000 2.288 107 K HA -0.049 4.270 4.320 -0.001 0.000 0.201 107 K C 1.879 178.191 176.600 -0.480 0.000 1.048 107 K CA 1.178 57.332 56.287 -0.222 0.000 0.956 107 K CB -0.057 32.471 32.500 0.047 0.000 0.746 107 K HN 0.607 nan 8.250 nan 0.000 0.461 108 S N -0.130 115.223 115.700 -0.578 0.000 2.593 108 S HA -0.042 4.428 4.470 -0.001 0.000 0.217 108 S C 0.008 174.358 174.600 -0.416 0.000 0.966 108 S CA -0.184 57.519 58.200 -0.829 0.000 0.914 108 S CB -0.305 62.200 63.200 -1.157 0.000 0.776 108 S HN 0.324 nan 8.310 nan 0.000 0.523 109 H N -1.086 117.927 119.070 -0.096 0.000 2.936 109 H HA -0.136 4.419 4.556 -0.000 0.000 0.276 109 H C 0.970 176.249 175.328 -0.082 0.000 1.216 109 H CA 0.613 56.635 56.048 -0.043 0.000 1.132 109 H CB -1.942 27.822 29.762 0.004 0.000 1.303 109 H HN 0.605 nan 8.280 nan 0.000 0.370 110 G N -0.084 108.648 108.800 -0.114 0.000 3.026 110 G HA2 0.169 4.129 3.960 -0.001 0.000 0.208 110 G HA3 0.169 4.129 3.960 -0.001 0.000 0.208 110 G C 0.462 175.302 174.900 -0.100 0.000 1.169 110 G CA 0.783 45.798 45.100 -0.140 0.000 0.788 110 G HN 0.339 nan 8.290 nan 0.000 0.533 111 S N -0.985 114.678 115.700 -0.061 0.000 2.647 111 S HA 0.497 4.966 4.470 -0.001 0.000 0.300 111 S C 0.384 174.941 174.600 -0.072 0.000 1.129 111 S CA -0.674 57.492 58.200 -0.058 0.000 1.029 111 S CB 1.682 64.844 63.200 -0.064 0.000 1.007 111 S HN 0.341 nan 8.310 nan 0.000 0.484 112 Q N 1.663 121.431 119.800 -0.055 0.000 2.558 112 Q HA 0.089 4.429 4.340 -0.001 0.000 0.186 112 Q C 2.214 178.158 176.000 -0.093 0.000 0.894 112 Q CA 0.793 56.568 55.803 -0.047 0.000 0.830 112 Q CB -0.564 28.201 28.738 0.046 0.000 1.107 112 Q HN 0.954 nan 8.270 nan 0.000 0.620 113 C N -0.305 119.013 119.300 0.030 0.000 2.448 113 C HA 0.356 4.816 4.460 -0.001 0.000 0.280 113 C C 1.721 176.825 174.990 0.190 0.000 1.398 113 C CA 0.446 59.518 59.018 0.090 0.000 1.774 113 C CB -0.962 26.841 27.740 0.105 0.000 1.888 113 C HN 0.883 nan 8.230 nan 0.000 0.519 114 G N -0.673 108.210 108.800 0.139 0.000 2.176 114 G HA2 -0.332 3.628 3.960 -0.001 0.000 0.253 114 G HA3 -0.332 3.628 3.960 -0.001 0.000 0.253 114 G C 0.381 175.407 174.900 0.209 0.000 0.979 114 G CA 0.472 45.683 45.100 0.184 0.000 0.641 114 G HN 0.547 nan 8.290 nan 0.000 0.530 115 F N 1.454 121.381 119.950 -0.037 0.000 2.293 115 F HA 0.070 4.597 4.527 -0.000 0.000 0.297 115 F C 2.794 178.551 175.800 -0.072 0.000 1.089 115 F CA 2.058 59.904 58.000 -0.257 0.000 1.377 115 F CB -0.197 38.586 39.000 -0.363 0.000 1.051 115 F HN 0.571 nan 8.300 nan 0.000 0.511 116 C N -1.855 117.511 119.300 0.110 0.000 2.594 116 C HA 0.104 4.564 4.460 -0.001 0.000 0.265 116 C C 2.385 177.422 174.990 0.079 0.000 1.351 116 C CA 0.701 59.784 59.018 0.107 0.000 1.744 116 C CB -1.555 26.283 27.740 0.163 0.000 1.890 116 C HN 0.351 nan 8.230 nan 0.000 0.551 117 T N 2.629 117.217 114.554 0.056 0.000 2.777 117 T HA -0.017 4.333 4.350 -0.001 0.000 0.266 117 T C -0.365 174.383 174.700 0.080 0.000 1.040 117 T CA 2.001 64.145 62.100 0.074 0.000 1.141 117 T CB -1.186 67.716 68.868 0.058 0.000 0.868 117 T HN 0.412 nan 8.240 nan 0.000 0.444 118 P HA -0.066 nan 4.420 nan 0.000 0.215 118 P C 1.812 179.141 177.300 0.048 0.000 1.157 118 P CA 1.228 64.338 63.100 0.017 0.000 0.868 118 P CB -0.490 31.183 31.700 -0.046 0.000 0.788 119 G N -0.550 108.281 108.800 0.051 0.000 2.442 119 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.219 119 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.219 119 G C 1.520 176.534 174.900 0.191 0.000 1.141 119 G CA 0.612 45.773 45.100 0.101 0.000 0.763 119 G HN 0.238 nan 8.290 nan 0.000 0.554 120 I N 0.131 120.838 120.570 0.229 0.000 2.286 120 I HA -0.116 4.054 4.170 -0.001 0.000 0.245 120 I C 2.757 179.113 176.117 0.398 0.000 1.104 120 I CA 0.240 61.745 61.300 0.342 0.000 1.397 120 I CB -0.185 37.978 38.000 0.272 0.000 1.072 120 I HN 0.016 nan 8.210 nan 0.000 0.417 121 V N 0.616 120.701 119.914 0.284 0.000 2.252 121 V HA -0.335 3.784 4.120 -0.001 0.000 0.249 121 V C 2.566 178.747 176.094 0.145 0.000 1.056 121 V CA 1.761 64.197 62.300 0.227 0.000 1.022 121 V CB -0.473 31.431 31.823 0.136 0.000 0.641 121 V HN 0.365 nan 8.190 nan 0.000 0.445 122 M N -0.399 119.267 119.600 0.110 0.000 2.117 122 M HA -0.108 4.372 4.480 -0.001 0.000 0.262 122 M C 2.418 178.783 176.300 0.108 0.000 1.065 122 M CA 1.643 56.993 55.300 0.083 0.000 1.114 122 M CB -1.647 30.975 32.600 0.038 0.000 1.361 122 M HN 0.355 nan 8.290 nan 0.000 0.408 123 S N 0.527 116.315 115.700 0.147 0.000 2.370 123 S HA -0.174 4.296 4.470 -0.001 0.000 0.226 123 S C 1.878 176.433 174.600 -0.075 0.000 1.033 123 S CA 1.616 59.854 58.200 0.064 0.000 1.011 123 S CB -0.325 62.961 63.200 0.142 0.000 0.852 123 S HN 0.426 nan 8.310 nan 0.000 0.457 124 M N 0.417 120.043 119.600 0.042 0.000 2.156 124 M HA 0.001 4.481 4.480 -0.001 0.000 0.264 124 M C 1.763 177.887 176.300 -0.294 0.000 1.067 124 M CA 1.346 56.506 55.300 -0.233 0.000 1.131 124 M CB -0.728 31.560 32.600 -0.521 0.000 1.368 124 M HN 0.367 nan 8.290 nan 0.000 0.416 125 Y N 0.215 120.349 120.300 -0.276 0.000 2.181 125 Y HA -0.208 4.341 4.550 -0.001 0.000 0.288 125 Y C 1.990 177.738 175.900 -0.254 0.000 1.146 125 Y CA 2.428 60.352 58.100 -0.293 0.000 1.164 125 Y CB -0.744 37.544 38.460 -0.285 0.000 0.982 125 Y HN 0.277 nan 8.280 nan 0.000 0.515 126 T N 1.227 115.685 114.554 -0.160 0.000 2.777 126 T HA -0.178 4.172 4.350 -0.001 0.000 0.266 126 T C 1.792 176.347 174.700 -0.242 0.000 1.040 126 T CA 1.292 63.280 62.100 -0.188 0.000 1.141 126 T CB -0.687 68.150 68.868 -0.052 0.000 0.868 126 T HN 0.315 nan 8.240 nan 0.000 0.444 127 L N 1.456 122.527 121.223 -0.254 0.000 1.978 127 L HA -0.101 4.239 4.340 -0.001 0.000 0.218 127 L C 2.178 178.872 176.870 -0.293 0.000 1.075 127 L CA 1.769 56.450 54.840 -0.265 0.000 0.767 127 L CB -0.967 40.901 42.059 -0.320 0.000 0.890 127 L HN 0.263 nan 8.230 nan 0.000 0.434 128 L N -0.847 120.138 121.223 -0.397 0.000 2.079 128 L HA -0.215 4.125 4.340 -0.001 0.000 0.210 128 L C 2.718 179.367 176.870 -0.368 0.000 1.081 128 L CA 1.048 55.647 54.840 -0.402 0.000 0.752 128 L CB -0.674 41.081 42.059 -0.507 0.000 0.896 128 L HN 0.284 nan 8.230 nan 0.000 0.433 129 R N -0.003 120.202 120.500 -0.491 0.000 2.189 129 R HA -0.057 4.283 4.340 -0.001 0.000 0.223 129 R C 1.674 177.844 176.300 -0.216 0.000 1.092 129 R CA 0.786 56.618 56.100 -0.447 0.000 0.989 129 R CB -0.652 29.242 30.300 -0.676 0.000 0.876 129 R HN 0.553 nan 8.270 nan 0.000 0.457 130 N N 0.222 118.826 118.700 -0.160 0.000 2.409 130 N HA -0.071 4.668 4.740 -0.001 0.000 0.174 130 N C -0.030 175.430 175.510 -0.083 0.000 1.037 130 N CA 0.429 53.436 53.050 -0.071 0.000 0.898 130 N CB 0.410 38.864 38.487 -0.055 0.000 1.010 130 N HN 0.025 nan 8.380 nan 0.000 0.445 131 Q N -0.109 119.619 119.800 -0.119 0.000 3.025 131 Q HA 0.263 4.603 4.340 -0.001 0.000 0.216 131 Q C -2.550 173.385 176.000 -0.109 0.000 0.828 131 Q CA -1.264 54.483 55.803 -0.093 0.000 0.806 131 Q CB 1.631 30.318 28.738 -0.085 0.000 1.423 131 Q HN -0.103 nan 8.270 nan 0.000 0.455 132 P HA -0.039 nan 4.420 nan 0.000 0.230 132 P C -0.591 176.699 177.300 -0.015 0.000 1.158 132 P CA 0.875 63.932 63.100 -0.072 0.000 0.769 132 P CB 0.404 32.081 31.700 -0.040 0.000 0.807 133 E N 0.137 120.334 120.200 -0.005 0.000 3.374 133 E HA 0.205 4.554 4.350 -0.001 0.000 0.223 133 E C -2.426 174.189 176.600 0.024 0.000 1.210 133 E CA -1.960 54.462 56.400 0.037 0.000 0.987 133 E CB 1.083 30.808 29.700 0.041 0.000 1.322 133 E HN 0.240 nan 8.360 nan 0.000 0.404 134 P HA 0.010 nan 4.420 nan 0.000 0.274 134 P C 0.157 177.483 177.300 0.043 0.000 1.246 134 P CA -0.244 62.857 63.100 0.002 0.000 0.795 134 P CB 0.827 32.507 31.700 -0.033 0.000 1.006 135 T N -2.669 111.905 114.554 0.032 0.000 2.874 135 T HA 0.165 4.515 4.350 -0.001 0.000 0.281 135 T C 1.493 176.237 174.700 0.073 0.000 0.994 135 T CA -0.659 61.473 62.100 0.053 0.000 1.015 135 T CB 0.020 68.910 68.868 0.037 0.000 1.028 135 T HN 0.074 nan 8.240 nan 0.000 0.523 136 V N 1.028 121.000 119.914 0.097 0.000 2.324 136 V HA -0.182 3.938 4.120 -0.001 0.000 0.250 136 V C 2.809 178.963 176.094 0.100 0.000 1.060 136 V CA 2.499 64.872 62.300 0.122 0.000 1.042 136 V CB -1.046 30.854 31.823 0.128 0.000 0.650 136 V HN 1.082 nan 8.190 nan 0.000 0.450 137 E N -0.235 120.005 120.200 0.068 0.000 2.106 137 E HA -0.232 4.117 4.350 -0.001 0.000 0.192 137 E C 2.187 178.794 176.600 0.011 0.000 0.984 137 E CA 1.264 57.694 56.400 0.049 0.000 0.806 137 E CB -0.042 29.680 29.700 0.037 0.000 0.750 137 E HN 0.708 nan 8.360 nan 0.000 0.458 138 E N 0.220 120.416 120.200 -0.008 0.000 2.072 138 E HA -0.161 4.188 4.350 -0.001 0.000 0.191 138 E C 2.134 178.673 176.600 -0.101 0.000 0.985 138 E CA 1.059 57.423 56.400 -0.060 0.000 0.801 138 E CB -0.024 29.641 29.700 -0.058 0.000 0.750 138 E HN 0.360 nan 8.360 nan 0.000 0.452 139 I N 1.107 121.658 120.570 -0.033 0.000 2.226 139 I HA -0.273 3.896 4.170 -0.001 0.000 0.245 139 I C 2.573 178.688 176.117 -0.003 0.000 1.100 139 I CA 1.174 62.469 61.300 -0.009 0.000 1.374 139 I CB -0.169 37.941 38.000 0.184 0.000 1.057 139 I HN 0.135 nan 8.210 nan 0.000 0.413 140 E N 0.848 121.092 120.200 0.074 0.000 2.106 140 E HA -0.245 4.105 4.350 -0.001 0.000 0.192 140 E C 1.430 177.996 176.600 -0.056 0.000 0.984 140 E CA 1.304 57.764 56.400 0.100 0.000 0.806 140 E CB 0.112 29.905 29.700 0.155 0.000 0.750 140 E HN 0.404 nan 8.360 nan 0.000 0.458 141 D N -0.083 120.250 120.400 -0.111 0.000 2.312 141 D HA -0.062 4.577 4.640 -0.001 0.000 0.211 141 D C 1.520 177.672 176.300 -0.247 0.000 0.964 141 D CA 0.819 54.736 54.000 -0.140 0.000 0.877 141 D CB -0.020 40.703 40.800 -0.128 0.000 0.924 141 D HN 0.246 nan 8.370 nan 0.000 0.515 142 A N -0.329 122.217 122.820 -0.457 0.000 2.067 142 A HA -0.063 4.256 4.320 -0.001 0.000 0.219 142 A C 1.284 178.433 177.584 -0.725 0.000 1.158 142 A CA 0.587 52.222 52.037 -0.668 0.000 0.661 142 A CB -0.525 17.884 19.000 -0.985 0.000 0.801 142 A HN 0.212 nan 8.150 nan 0.000 0.452 143 F N -0.638 119.154 119.950 -0.264 0.000 2.668 143 F HA 0.160 4.687 4.527 -0.000 0.000 0.301 143 F C 1.842 177.549 175.800 -0.154 0.000 1.106 143 F CA -0.319 57.451 58.000 -0.384 0.000 1.289 143 F CB 0.200 38.413 39.000 -1.311 0.000 1.006 143 F HN 0.176 nan 8.300 nan 0.000 0.535 144 Q N 0.526 120.341 119.800 0.026 0.000 2.226 144 Q HA -0.097 4.243 4.340 -0.001 0.000 0.204 144 Q C 2.022 178.104 176.000 0.137 0.000 0.975 144 Q CA 1.295 57.154 55.803 0.094 0.000 0.866 144 Q CB -0.200 28.573 28.738 0.058 0.000 0.915 144 Q HN 0.531 nan 8.270 nan 0.000 0.440 145 G N 0.252 109.135 108.800 0.139 0.000 3.605 145 G HA2 0.088 4.048 3.960 -0.001 0.000 0.277 145 G HA3 0.088 4.048 3.960 -0.001 0.000 0.277 145 G C -0.094 174.943 174.900 0.228 0.000 1.093 145 G CA -0.331 44.867 45.100 0.164 0.000 0.821 145 G HN 0.062 nan 8.290 nan 0.000 0.532 146 N N 0.406 119.300 118.700 0.323 0.000 2.284 146 N HA 0.536 5.276 4.740 -0.001 0.000 0.300 146 N C -1.218 174.593 175.510 0.503 0.000 1.047 146 N CA -0.336 52.963 53.050 0.416 0.000 0.821 146 N CB 2.633 41.434 38.487 0.522 0.000 1.337 146 N HN -0.033 nan 8.380 nan 0.000 0.482 147 L N 0.851 122.317 121.223 0.406 0.000 2.354 147 L HA 0.601 4.941 4.340 -0.001 0.000 0.269 147 L C -0.460 176.591 176.870 0.303 0.000 1.005 147 L CA -0.854 54.218 54.840 0.387 0.000 0.819 147 L CB 2.269 44.476 42.059 0.247 0.000 1.311 147 L HN 0.482 nan 8.230 nan 0.000 0.423 148 C N 1.892 121.269 119.300 0.127 0.000 2.431 148 C HA 0.503 4.962 4.460 -0.001 0.000 0.321 148 C C 0.979 175.823 174.990 -0.244 0.000 1.202 148 C CA -0.549 58.387 59.018 -0.136 0.000 1.398 148 C CB 1.640 29.120 27.740 -0.433 0.000 2.047 148 C HN 0.967 nan 8.230 nan 0.000 0.465 149 R N 2.448 122.926 120.500 -0.037 0.000 2.254 149 R HA 0.222 4.562 4.340 -0.001 0.000 0.195 149 R C 1.461 177.709 176.300 -0.087 0.000 0.957 149 R CA 1.561 57.618 56.100 -0.072 0.000 1.024 149 R CB -0.674 29.656 30.300 0.049 0.000 0.952 149 R HN 0.881 nan 8.270 nan 0.000 0.484 150 C N -1.514 117.801 119.300 0.025 0.000 2.524 150 C HA 0.152 4.612 4.460 -0.001 0.000 0.284 150 C C 2.329 177.321 174.990 0.003 0.000 1.346 150 C CA 0.858 59.960 59.018 0.139 0.000 1.739 150 C CB -0.172 27.677 27.740 0.182 0.000 2.119 150 C HN 0.643 nan 8.230 nan 0.000 0.501 151 T N -2.284 112.187 114.554 -0.138 0.000 3.044 151 T HA 0.301 4.650 4.350 -0.001 0.000 0.255 151 T C 1.665 176.299 174.700 -0.111 0.000 1.073 151 T CA 1.389 63.417 62.100 -0.121 0.000 1.125 151 T CB -0.287 68.482 68.868 -0.165 0.000 0.908 151 T HN 0.951 nan 8.240 nan 0.000 0.480 152 G N 0.538 109.196 108.800 -0.236 0.000 2.143 152 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.248 152 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.248 152 G C 0.561 175.525 174.900 0.106 0.000 0.991 152 G CA 0.468 45.559 45.100 -0.016 0.000 0.689 152 G HN 0.654 nan 8.290 nan 0.000 0.522 153 Y N -2.635 117.600 120.300 -0.108 0.000 3.035 153 Y HA -0.403 4.147 4.550 -0.001 0.000 0.474 153 Y C 2.383 178.262 175.900 -0.034 0.000 1.222 153 Y CA 2.526 60.470 58.100 -0.260 0.000 2.575 153 Y CB -1.434 36.790 38.460 -0.393 0.000 0.874 153 Y HN 0.459 nan 8.280 nan 0.000 0.516 154 R N 1.349 122.003 120.500 0.258 0.000 2.136 154 R HA -0.205 4.135 4.340 -0.001 0.000 0.242 154 R C -0.971 175.411 176.300 0.137 0.000 1.131 154 R CA 2.790 59.021 56.100 0.218 0.000 0.937 154 R CB -1.455 28.941 30.300 0.159 0.000 0.863 154 R HN 0.403 nan 8.270 nan 0.000 0.435 155 P HA -0.132 nan 4.420 nan 0.000 0.218 155 P C 1.709 178.982 177.300 -0.046 0.000 1.149 155 P CA 1.372 64.507 63.100 0.058 0.000 0.817 155 P CB -0.213 31.512 31.700 0.042 0.000 0.785 156 I N -0.638 119.882 120.570 -0.083 0.000 2.179 156 I HA -0.222 3.947 4.170 -0.001 0.000 0.242 156 I C 2.673 178.678 176.117 -0.187 0.000 1.088 156 I CA 1.289 62.423 61.300 -0.277 0.000 1.357 156 I CB -0.654 37.260 38.000 -0.143 0.000 1.051 156 I HN -0.158 nan 8.210 nan 0.000 0.409 157 L N -0.112 121.198 121.223 0.145 0.000 2.093 157 L HA -0.222 4.118 4.340 -0.001 0.000 0.208 157 L C 2.645 179.678 176.870 0.270 0.000 1.085 157 L CA 1.243 56.263 54.840 0.299 0.000 0.755 157 L CB -0.517 41.771 42.059 0.382 0.000 0.904 157 L HN 0.320 nan 8.230 nan 0.000 0.435 158 Q N -0.023 119.911 119.800 0.224 0.000 2.119 158 Q HA -0.153 4.186 4.340 -0.001 0.000 0.201 158 Q C 2.157 178.353 176.000 0.327 0.000 0.972 158 Q CA 1.619 57.595 55.803 0.289 0.000 0.847 158 Q CB -0.155 28.777 28.738 0.324 0.000 0.903 158 Q HN 0.504 nan 8.270 nan 0.000 0.433 159 G N -0.542 108.325 108.800 0.112 0.000 2.403 159 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.216 159 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.216 159 G C 0.925 175.979 174.900 0.257 0.000 1.154 159 G CA 0.268 45.355 45.100 -0.021 0.000 0.784 159 G HN 0.307 nan 8.290 nan 0.000 0.538 160 F N 0.524 120.612 119.950 0.229 0.000 2.512 160 F HA 0.272 4.799 4.527 -0.000 0.000 0.296 160 F C 2.485 178.529 175.800 0.405 0.000 1.110 160 F CA -0.133 58.111 58.000 0.407 0.000 1.446 160 F CB -0.407 38.855 39.000 0.437 0.000 1.092 160 F HN 0.078 nan 8.300 nan 0.000 0.554 161 R N 0.504 121.292 120.500 0.480 0.000 2.159 161 R HA -0.163 4.177 4.340 -0.001 0.000 0.237 161 R C 2.113 178.587 176.300 0.290 0.000 1.131 161 R CA 1.838 58.151 56.100 0.355 0.000 0.982 161 R CB -0.361 30.115 30.300 0.294 0.000 0.868 161 R HN 0.351 nan 8.270 nan 0.000 0.453 162 T N -2.371 112.339 114.554 0.261 0.000 3.025 162 T HA -0.124 4.226 4.350 -0.001 0.000 0.270 162 T C 1.441 176.175 174.700 0.055 0.000 1.126 162 T CA 0.973 63.166 62.100 0.156 0.000 1.105 162 T CB -0.368 68.620 68.868 0.201 0.000 0.884 162 T HN 0.223 nan 8.240 nan 0.000 0.522 163 F N 2.031 122.102 119.950 0.203 0.000 2.456 163 F HA 0.443 4.970 4.527 -0.000 0.000 0.298 163 F C 1.989 177.847 175.800 0.097 0.000 1.104 163 F CA -0.120 57.956 58.000 0.126 0.000 1.435 163 F CB -0.362 38.685 39.000 0.079 0.000 1.078 163 F HN 0.261 nan 8.300 nan 0.000 0.546 164 A N 1.308 124.296 122.820 0.280 0.000 2.386 164 A HA 0.377 4.697 4.320 -0.001 0.000 0.246 164 A C 0.471 178.136 177.584 0.135 0.000 1.089 164 A CA -0.203 51.945 52.037 0.185 0.000 0.790 164 A CB -0.006 19.096 19.000 0.170 0.000 1.042 164 A HN 0.463 nan 8.150 nan 0.000 0.497 193 P HA 0.545 nan 4.420 nan 0.000 0.272 193 P C -0.240 176.895 177.300 -0.275 0.000 1.240 193 P CA -0.123 62.750 63.100 -0.378 0.000 0.791 193 P CB 0.666 32.121 31.700 -0.408 0.000 0.978 194 S N -0.263 115.439 115.700 0.003 0.000 2.651 194 S HA 0.304 4.774 4.470 -0.001 0.000 0.291 194 S C 1.431 176.209 174.600 0.297 0.000 1.141 194 S CA -0.712 57.539 58.200 0.086 0.000 1.027 194 S CB 0.707 63.859 63.200 -0.079 0.000 1.043 194 S HN 0.364 nan 8.310 nan 0.000 0.530 195 L N 1.339 122.679 121.223 0.196 0.000 2.240 195 L HA 0.179 4.519 4.340 -0.001 0.000 0.211 195 L C -0.025 177.083 176.870 0.398 0.000 1.106 195 L CA 0.870 55.840 54.840 0.217 0.000 0.793 195 L CB -0.105 42.073 42.059 0.199 0.000 0.927 195 L HN 0.691 nan 8.230 nan 0.000 0.446 196 F N -3.393 116.655 119.950 0.163 0.000 2.741 196 F HA 0.495 5.022 4.527 -0.001 0.000 0.313 196 F C -0.998 174.779 175.800 -0.038 0.000 1.153 196 F CA -1.553 56.500 58.000 0.088 0.000 0.931 196 F CB 1.012 40.070 39.000 0.096 0.000 1.335 196 F HN -0.351 nan 8.300 nan 0.000 0.460 197 N N 1.560 120.291 118.700 0.051 0.000 2.576 197 N HA 0.490 5.229 4.740 -0.001 0.000 0.269 197 N C -2.463 172.770 175.510 -0.462 0.000 1.058 197 N CA -2.636 50.310 53.050 -0.174 0.000 0.860 197 N CB 1.865 40.293 38.487 -0.099 0.000 1.249 197 N HN 0.274 nan 8.380 nan 0.000 0.525 198 P HA -0.069 nan 4.420 nan 0.000 0.219 198 P C 0.421 177.360 177.300 -0.602 0.000 1.146 198 P CA 1.142 63.663 63.100 -0.966 0.000 0.808 198 P CB 0.438 31.973 31.700 -0.274 0.000 0.779 199 E N -0.050 119.962 120.200 -0.313 0.000 2.338 199 E HA -0.178 4.172 4.350 -0.001 0.000 0.197 199 E C 1.766 178.307 176.600 -0.099 0.000 1.007 199 E CA 0.643 56.955 56.400 -0.147 0.000 0.849 199 E CB -0.310 29.334 29.700 -0.094 0.000 0.774 199 E HN 0.568 nan 8.360 nan 0.000 0.506 200 E N 0.669 120.784 120.200 -0.141 0.000 2.502 200 E HA -0.055 4.295 4.350 -0.001 0.000 0.194 200 E C -0.081 176.630 176.600 0.186 0.000 1.062 200 E CA -0.156 56.251 56.400 0.011 0.000 0.867 200 E CB -0.046 29.674 29.700 0.034 0.000 0.888 200 E HN 0.151 nan 8.360 nan 0.000 0.510 201 F N 1.759 121.715 119.950 0.010 0.000 2.456 201 F HA 0.164 4.691 4.527 -0.000 0.000 0.358 201 F C 0.931 176.718 175.800 -0.021 0.000 1.095 201 F CA -1.172 56.818 58.000 -0.018 0.000 1.216 201 F CB 0.852 39.817 39.000 -0.058 0.000 1.125 201 F HN 0.024 nan 8.300 nan 0.000 0.549 202 M N 6.329 126.023 119.600 0.157 0.000 2.303 202 M HA 0.129 4.609 4.480 -0.001 0.000 0.350 202 M C -2.243 174.090 176.300 0.055 0.000 1.518 202 M CA -1.373 53.971 55.300 0.073 0.000 1.070 202 M CB 0.349 32.965 32.600 0.028 0.000 1.910 202 M HN 0.178 nan 8.290 nan 0.000 0.458 203 P HA -0.006 nan 4.420 nan 0.000 0.266 203 P C -0.987 176.344 177.300 0.052 0.000 1.195 203 P CA -0.309 62.827 63.100 0.059 0.000 0.768 203 P CB 0.363 32.094 31.700 0.053 0.000 0.838 204 L N 3.284 124.566 121.223 0.098 0.000 2.410 204 L HA 0.266 4.606 4.340 -0.001 0.000 0.273 204 L C -0.020 176.884 176.870 0.057 0.000 1.152 204 L CA 0.643 55.540 54.840 0.095 0.000 0.855 204 L CB -0.000 42.186 42.059 0.212 0.000 1.129 204 L HN 0.240 nan 8.230 nan 0.000 0.463 205 D N 5.885 126.305 120.400 0.033 0.000 2.421 205 D HA 0.392 5.032 4.640 -0.001 0.000 0.254 205 D C -2.139 174.184 176.300 0.038 0.000 1.238 205 D CA -1.843 52.178 54.000 0.034 0.000 0.919 205 D CB 1.900 42.718 40.800 0.029 0.000 1.152 205 D HN 0.282 nan 8.370 nan 0.000 0.552 206 P HA -0.063 nan 4.420 nan 0.000 0.222 206 P C 1.274 178.592 177.300 0.030 0.000 1.147 206 P CA 1.032 64.145 63.100 0.022 0.000 0.790 206 P CB 0.150 31.848 31.700 -0.003 0.000 0.780 207 T N -3.737 110.835 114.554 0.030 0.000 3.051 207 T HA -0.115 4.235 4.350 -0.001 0.000 0.269 207 T C 1.445 176.169 174.700 0.040 0.000 1.127 207 T CA 0.919 63.038 62.100 0.031 0.000 1.107 207 T CB -0.701 68.183 68.868 0.026 0.000 0.898 207 T HN 0.232 nan 8.240 nan 0.000 0.517 208 Q N 0.408 120.237 119.800 0.049 0.000 2.220 208 Q HA 0.202 4.541 4.340 -0.001 0.000 0.205 208 Q C -0.162 175.888 176.000 0.083 0.000 0.865 208 Q CA -0.245 55.592 55.803 0.058 0.000 0.960 208 Q CB 0.453 29.223 28.738 0.053 0.000 1.097 208 Q HN 0.496 nan 8.270 nan 0.000 0.493 209 E N 2.091 122.344 120.200 0.089 0.000 2.383 209 E HA 0.134 4.484 4.350 -0.001 0.000 0.264 209 E C -2.176 174.476 176.600 0.087 0.000 1.050 209 E CA -1.960 54.507 56.400 0.113 0.000 0.896 209 E CB 0.023 29.773 29.700 0.084 0.000 0.982 209 E HN 0.032 nan 8.360 nan 0.000 0.424 210 P HA 0.003 nan 4.420 nan 0.000 0.262 210 P C 0.209 177.555 177.300 0.075 0.000 1.182 210 P CA 0.221 63.359 63.100 0.064 0.000 0.761 210 P CB 0.388 32.117 31.700 0.049 0.000 0.795 211 I N 3.850 124.458 120.570 0.064 0.000 2.692 211 I HA 0.059 4.229 4.170 -0.001 0.000 0.284 211 I C 0.369 176.549 176.117 0.104 0.000 1.159 211 I CA -0.577 60.776 61.300 0.088 0.000 1.423 211 I CB 0.186 38.221 38.000 0.057 0.000 1.380 211 I HN 0.211 nan 8.210 nan 0.000 0.580 212 F N 9.772 129.736 119.950 0.023 0.000 2.623 212 F HA 0.145 4.671 4.527 -0.002 0.000 0.383 212 F C -1.896 173.850 175.800 -0.090 0.000 1.077 212 F CA -1.344 56.654 58.000 -0.004 0.000 1.268 212 F CB -0.021 38.993 39.000 0.024 0.000 1.053 212 F HN 0.310 nan 8.300 nan 0.000 0.571 213 P HA 0.038 nan 4.420 nan 0.000 0.262 213 P C -2.171 174.791 177.300 -0.563 0.000 1.199 213 P CA -0.749 61.941 63.100 -0.683 0.000 0.763 213 P CB 0.459 31.435 31.700 -1.207 0.000 0.790 214 P HA -0.195 nan 4.420 nan 0.000 0.215 214 P C 1.424 178.621 177.300 -0.172 0.000 1.153 214 P CA 1.232 64.253 63.100 -0.131 0.000 0.853 214 P CB 0.013 31.674 31.700 -0.066 0.000 0.788 215 E N -0.064 120.007 120.200 -0.214 0.000 2.130 215 E HA -0.194 4.156 4.350 -0.001 0.000 0.196 215 E C 1.875 178.310 176.600 -0.274 0.000 0.998 215 E CA 0.962 57.263 56.400 -0.165 0.000 0.806 215 E CB -0.658 29.053 29.700 0.018 0.000 0.738 215 E HN 0.152 nan 8.360 nan 0.000 0.459 216 L N 0.298 121.192 121.223 -0.547 0.000 2.201 216 L HA -0.148 4.192 4.340 -0.001 0.000 0.212 216 L C 2.392 179.195 176.870 -0.113 0.000 1.105 216 L CA 0.253 54.832 54.840 -0.435 0.000 0.775 216 L CB -0.141 41.496 42.059 -0.703 0.000 0.913 216 L HN 0.305 nan 8.230 nan 0.000 0.440 217 L N -0.473 120.731 121.223 -0.033 0.000 2.270 217 L HA -0.054 4.286 4.340 -0.001 0.000 0.210 217 L C 2.539 179.343 176.870 -0.110 0.000 1.104 217 L CA 1.345 56.193 54.840 0.014 0.000 0.804 217 L CB -0.405 41.706 42.059 0.086 0.000 0.937 217 L HN 0.049 nan 8.230 nan 0.000 0.450 218 R N -0.916 119.519 120.500 -0.108 0.000 2.081 218 R HA -0.097 4.242 4.340 -0.001 0.000 0.235 218 R C 2.121 178.346 176.300 -0.124 0.000 1.131 218 R CA 1.529 57.566 56.100 -0.105 0.000 0.960 218 R CB -0.477 29.776 30.300 -0.078 0.000 0.856 218 R HN 0.313 nan 8.270 nan 0.000 0.436 219 L N 1.228 122.355 121.223 -0.160 0.000 2.275 219 L HA -0.142 4.197 4.340 -0.001 0.000 0.215 219 L C 1.846 178.637 176.870 -0.132 0.000 1.119 219 L CA 1.096 55.828 54.840 -0.180 0.000 0.790 219 L CB -0.291 41.518 42.059 -0.416 0.000 0.919 219 L HN 0.151 nan 8.230 nan 0.000 0.443 220 K N -1.400 118.897 120.400 -0.172 0.000 2.504 220 K HA -0.073 4.246 4.320 -0.001 0.000 0.195 220 K C 1.053 177.538 176.600 -0.190 0.000 1.036 220 K CA 0.947 57.111 56.287 -0.206 0.000 0.984 220 K CB -0.224 31.998 32.500 -0.463 0.000 0.788 220 K HN 0.141 nan 8.250 nan 0.000 0.488 221 D N 0.628 120.939 120.400 -0.149 0.000 2.301 221 D HA 0.012 4.652 4.640 -0.001 0.000 0.206 221 D C -0.146 176.120 176.300 -0.056 0.000 0.979 221 D CA 0.312 54.248 54.000 -0.107 0.000 0.874 221 D CB 0.331 41.070 40.800 -0.101 0.000 0.968 221 D HN 0.013 nan 8.370 nan 0.000 0.510 222 V N 3.681 123.574 119.914 -0.035 0.000 2.521 222 V HA 0.130 4.250 4.120 -0.001 0.000 0.286 222 V C -1.983 174.109 176.094 -0.004 0.000 1.034 222 V CA -1.291 61.008 62.300 -0.002 0.000 1.045 222 V CB 0.435 32.278 31.823 0.034 0.000 0.974 222 V HN -0.037 nan 8.190 nan 0.000 0.480 223 P HA 0.244 nan 4.420 nan 0.000 0.269 223 P C -2.194 175.102 177.300 -0.007 0.000 1.209 223 P CA -0.926 62.168 63.100 -0.010 0.000 0.776 223 P CB -0.253 31.448 31.700 0.002 0.000 0.876 224 P HA 0.172 nan 4.420 nan 0.000 0.271 224 P C -0.763 176.571 177.300 0.055 0.000 1.244 224 P CA -0.036 63.024 63.100 -0.067 0.000 0.793 224 P CB 0.820 32.385 31.700 -0.225 0.000 0.984 225 K N -0.029 120.447 120.400 0.127 0.000 2.502 225 K HA 0.188 4.508 4.320 -0.001 0.000 0.257 225 K C -0.514 176.199 176.600 0.187 0.000 0.938 225 K CA -0.748 55.613 56.287 0.124 0.000 0.819 225 K CB 1.993 34.543 32.500 0.083 0.000 1.333 225 K HN 0.398 nan 8.250 nan 0.000 0.434 226 Q N 3.059 122.921 119.800 0.103 0.000 2.315 226 Q HA 0.105 4.445 4.340 -0.001 0.000 0.289 226 Q C -1.107 174.859 176.000 -0.056 0.000 1.044 226 Q CA 0.400 56.222 55.803 0.032 0.000 0.920 226 Q CB 0.469 29.202 28.738 -0.010 0.000 1.214 226 Q HN 0.443 nan 8.270 nan 0.000 0.392 227 L N 3.693 124.807 121.223 -0.182 0.000 2.370 227 L HA 0.644 4.983 4.340 -0.001 0.000 0.266 227 L C -0.474 176.075 176.870 -0.534 0.000 1.002 227 L CA -0.882 53.722 54.840 -0.394 0.000 0.818 227 L CB 2.202 43.927 42.059 -0.555 0.000 1.325 227 L HN 0.646 nan 8.230 nan 0.000 0.418 228 R N 1.787 121.934 120.500 -0.589 0.000 2.621 228 R HA 0.695 5.034 4.340 -0.001 0.000 0.292 228 R C -1.970 174.007 176.300 -0.539 0.000 0.969 228 R CA -0.389 55.457 56.100 -0.423 0.000 0.887 228 R CB 1.628 31.817 30.300 -0.184 0.000 1.180 228 R HN 0.433 nan 8.270 nan 0.000 0.450 229 F N 1.392 121.393 119.950 0.085 0.000 2.563 229 F HA 0.416 4.943 4.527 -0.000 0.000 0.316 229 F C -0.314 175.526 175.800 0.067 0.000 1.076 229 F CA -0.915 57.111 58.000 0.044 0.000 0.921 229 F CB 2.565 41.544 39.000 -0.035 0.000 1.209 229 F HN 0.378 nan 8.300 nan 0.000 0.462 230 E N 0.903 121.245 120.200 0.237 0.000 2.218 230 E HA 0.519 4.868 4.350 -0.001 0.000 0.263 230 E C -0.164 176.511 176.600 0.125 0.000 0.879 230 E CA -0.645 55.845 56.400 0.151 0.000 0.762 230 E CB 2.210 31.972 29.700 0.103 0.000 1.166 230 E HN 0.779 nan 8.360 nan 0.000 0.415 231 G N 1.222 110.090 108.800 0.114 0.000 2.828 231 G HA2 0.055 4.015 3.960 -0.001 0.000 0.244 231 G HA3 0.055 4.015 3.960 -0.001 0.000 0.244 231 G C 0.561 175.510 174.900 0.081 0.000 1.365 231 G CA -0.333 44.820 45.100 0.088 0.000 1.041 231 G HN 0.609 nan 8.290 nan 0.000 0.560 232 E N -0.617 119.630 120.200 0.079 0.000 2.051 232 E HA -0.099 4.251 4.350 -0.001 0.000 0.192 232 E C 2.011 178.655 176.600 0.074 0.000 0.991 232 E CA 0.970 57.420 56.400 0.083 0.000 0.799 232 E CB 0.028 29.795 29.700 0.110 0.000 0.748 232 E HN 0.459 nan 8.360 nan 0.000 0.449 233 R N -0.785 119.760 120.500 0.075 0.000 2.476 233 R HA 0.270 4.609 4.340 -0.001 0.000 0.276 233 R C -0.576 175.768 176.300 0.074 0.000 0.941 233 R CA -0.146 55.993 56.100 0.065 0.000 1.088 233 R CB 1.990 32.323 30.300 0.055 0.000 1.216 233 R HN -0.079 nan 8.270 nan 0.000 0.533 234 V N 0.635 120.606 119.914 0.095 0.000 2.932 234 V HA 0.325 4.445 4.120 -0.001 0.000 0.307 234 V C -0.626 175.552 176.094 0.140 0.000 1.147 234 V CA -0.788 61.585 62.300 0.121 0.000 0.951 234 V CB 2.534 34.454 31.823 0.162 0.000 1.031 234 V HN -0.011 nan 8.190 nan 0.000 0.426 235 T N 3.736 118.366 114.554 0.126 0.000 2.807 235 T HA 0.420 4.769 4.350 -0.001 0.000 0.279 235 T C -1.156 173.648 174.700 0.174 0.000 0.993 235 T CA -0.251 61.928 62.100 0.130 0.000 0.970 235 T CB 1.297 70.189 68.868 0.039 0.000 0.950 235 T HN 0.661 nan 8.240 nan 0.000 0.441 236 W N 4.988 126.302 121.300 0.024 0.000 2.475 236 W HA 0.614 5.273 4.660 -0.002 0.000 0.317 236 W C -1.962 174.495 176.519 -0.104 0.000 1.046 236 W CA -1.212 56.140 57.345 0.012 0.000 1.215 236 W CB 0.692 30.251 29.460 0.166 0.000 1.335 236 W HN 0.465 nan 8.180 nan 0.000 0.471 237 I N 4.710 125.165 120.570 -0.191 0.000 2.355 237 I HA 0.045 4.215 4.170 -0.001 0.000 0.288 237 I C 0.159 176.108 176.117 -0.280 0.000 0.999 237 I CA -0.504 60.680 61.300 -0.194 0.000 1.163 237 I CB 1.808 39.689 38.000 -0.199 0.000 1.316 237 I HN 0.267 nan 8.210 nan 0.000 0.454 238 Q N 5.313 125.009 119.800 -0.174 0.000 2.344 238 Q HA 0.537 4.877 4.340 -0.001 0.000 0.253 238 Q C -0.341 175.494 176.000 -0.275 0.000 1.050 238 Q CA -0.195 55.424 55.803 -0.307 0.000 0.912 238 Q CB 0.890 29.325 28.738 -0.505 0.000 1.258 238 Q HN 0.720 nan 8.270 nan 0.000 0.443 239 A N 2.992 125.680 122.820 -0.219 0.000 2.409 239 A HA 0.336 4.656 4.320 -0.001 0.000 0.267 239 A C 0.931 178.551 177.584 0.059 0.000 1.127 239 A CA 0.194 52.184 52.037 -0.078 0.000 0.795 239 A CB 0.364 19.315 19.000 -0.081 0.000 1.061 239 A HN 0.938 nan 8.150 nan 0.000 0.502 240 S N 1.502 117.299 115.700 0.161 0.000 2.458 240 S HA 0.112 4.581 4.470 -0.001 0.000 0.223 240 S C 0.876 175.586 174.600 0.182 0.000 1.019 240 S CA 0.899 59.281 58.200 0.303 0.000 0.937 240 S CB -0.383 62.987 63.200 0.284 0.000 0.788 240 S HN 1.376 nan 8.310 nan 0.000 0.511 241 T N -1.702 112.914 114.554 0.102 0.000 2.901 241 T HA 0.613 4.962 4.350 -0.001 0.000 0.293 241 T C 0.532 175.254 174.700 0.037 0.000 1.084 241 T CA -0.715 61.425 62.100 0.067 0.000 1.008 241 T CB 1.251 70.147 68.868 0.048 0.000 1.170 241 T HN -0.021 nan 8.240 nan 0.000 0.509 242 L N 1.288 122.526 121.223 0.026 0.000 2.042 242 L HA 0.121 4.461 4.340 -0.001 0.000 0.210 242 L C 2.565 179.436 176.870 0.001 0.000 1.076 242 L CA 1.995 56.840 54.840 0.008 0.000 0.749 242 L CB -0.977 41.084 42.059 0.003 0.000 0.893 242 L HN 0.909 nan 8.230 nan 0.000 0.432 243 K N -0.453 119.950 120.400 0.005 0.000 2.026 243 K HA -0.226 4.093 4.320 -0.001 0.000 0.208 243 K C 1.932 178.532 176.600 -0.000 0.000 1.048 243 K CA 1.926 58.213 56.287 0.001 0.000 0.929 243 K CB -0.107 32.395 32.500 0.004 0.000 0.713 243 K HN 0.491 nan 8.250 nan 0.000 0.439 244 E N 0.710 120.913 120.200 0.005 0.000 2.049 244 E HA -0.242 4.107 4.350 -0.001 0.000 0.198 244 E C 2.006 178.597 176.600 -0.015 0.000 1.007 244 E CA 1.431 57.830 56.400 -0.001 0.000 0.809 244 E CB -0.227 29.475 29.700 0.004 0.000 0.749 244 E HN 0.192 nan 8.360 nan 0.000 0.450 245 L N 1.120 122.331 121.223 -0.020 0.000 2.013 245 L HA -0.220 4.120 4.340 -0.001 0.000 0.212 245 L C 2.030 178.883 176.870 -0.029 0.000 1.073 245 L CA 1.761 56.578 54.840 -0.037 0.000 0.753 245 L CB -0.428 41.607 42.059 -0.040 0.000 0.890 245 L HN 0.136 nan 8.230 nan 0.000 0.432 246 L N -0.911 120.300 121.223 -0.020 0.000 2.056 246 L HA -0.164 4.176 4.340 -0.001 0.000 0.207 246 L C 2.342 179.204 176.870 -0.013 0.000 1.078 246 L CA 1.181 56.010 54.840 -0.019 0.000 0.749 246 L CB -0.983 41.065 42.059 -0.017 0.000 0.901 246 L HN 0.281 nan 8.230 nan 0.000 0.433 247 D N 0.558 120.953 120.400 -0.008 0.000 2.104 247 D HA -0.169 4.470 4.640 -0.001 0.000 0.194 247 D C 2.403 178.709 176.300 0.011 0.000 0.994 247 D CA 1.295 55.293 54.000 -0.003 0.000 0.830 247 D CB -0.270 40.530 40.800 0.000 0.000 0.959 247 D HN 0.232 nan 8.370 nan 0.000 0.452 248 L N 0.566 121.800 121.223 0.018 0.000 2.042 248 L HA -0.187 4.153 4.340 -0.001 0.000 0.210 248 L C 2.432 179.339 176.870 0.062 0.000 1.076 248 L CA 1.154 56.028 54.840 0.057 0.000 0.749 248 L CB -0.313 41.747 42.059 0.002 0.000 0.893 248 L HN -0.078 nan 8.230 nan 0.000 0.432 249 K N -0.069 120.337 120.400 0.010 0.000 2.103 249 K HA -0.001 4.319 4.320 -0.001 0.000 0.204 249 K C 2.207 178.804 176.600 -0.004 0.000 1.052 249 K CA 1.263 57.551 56.287 0.001 0.000 0.945 249 K CB -0.334 32.151 32.500 -0.024 0.000 0.722 249 K HN 0.276 nan 8.250 nan 0.000 0.443 250 A N 1.436 124.247 122.820 -0.014 0.000 1.933 250 A HA -0.206 4.114 4.320 -0.001 0.000 0.218 250 A C 2.038 179.589 177.584 -0.054 0.000 1.175 250 A CA 1.457 53.476 52.037 -0.029 0.000 0.628 250 A CB -0.320 18.664 19.000 -0.027 0.000 0.814 250 A HN 0.400 nan 8.150 nan 0.000 0.444 251 Q N -1.453 118.305 119.800 -0.070 0.000 2.302 251 Q HA 0.033 4.373 4.340 -0.001 0.000 0.202 251 Q C -0.106 175.676 176.000 -0.363 0.000 0.936 251 Q CA 0.724 56.405 55.803 -0.204 0.000 0.886 251 Q CB 0.227 28.826 28.738 -0.233 0.000 0.986 251 Q HN 0.754 nan 8.270 nan 0.000 0.487 252 H N 0.255 119.307 119.070 -0.029 0.000 2.380 252 H HA 0.151 4.706 4.556 -0.001 0.000 0.231 252 H C -1.937 173.370 175.328 -0.035 0.000 1.415 252 H CA -1.672 54.359 56.048 -0.029 0.000 1.433 252 H CB 1.116 30.858 29.762 -0.033 0.000 1.544 252 H HN 0.111 nan 8.280 nan 0.000 0.503 253 P HA -0.186 nan 4.420 nan 0.000 0.223 253 P C 1.285 178.594 177.300 0.014 0.000 1.144 253 P CA 1.164 64.271 63.100 0.011 0.000 0.783 253 P CB 0.471 32.168 31.700 -0.005 0.000 0.771 254 E N 0.306 120.532 120.200 0.043 0.000 2.400 254 E HA 0.037 4.386 4.350 -0.001 0.000 0.195 254 E C 0.750 177.360 176.600 0.016 0.000 1.012 254 E CA -0.020 56.403 56.400 0.039 0.000 0.875 254 E CB -0.711 29.029 29.700 0.067 0.000 0.859 254 E HN 0.014 nan 8.360 nan 0.000 0.498 255 A N 2.188 125.011 122.820 0.005 0.000 2.537 255 A HA 0.067 4.387 4.320 -0.001 0.000 0.260 255 A C 0.097 177.602 177.584 -0.132 0.000 1.082 255 A CA -0.024 51.975 52.037 -0.063 0.000 0.765 255 A CB -0.212 18.739 19.000 -0.081 0.000 1.019 255 A HN 0.078 nan 8.150 nan 0.000 0.507 256 K N 2.258 122.537 120.400 -0.201 0.000 2.412 256 K HA 0.334 4.653 4.320 -0.001 0.000 0.281 256 K C -0.388 176.021 176.600 -0.318 0.000 1.027 256 K CA -0.017 56.066 56.287 -0.340 0.000 0.989 256 K CB 0.161 32.278 32.500 -0.637 0.000 0.935 256 K HN 0.539 nan 8.250 nan 0.000 0.475 257 L N 4.095 125.154 121.223 -0.274 0.000 2.397 257 L HA 0.309 4.649 4.340 -0.001 0.000 0.271 257 L C -0.678 176.027 176.870 -0.274 0.000 1.148 257 L CA 0.104 54.791 54.840 -0.254 0.000 0.825 257 L CB 1.343 43.297 42.059 -0.174 0.000 1.117 257 L HN 0.351 nan 8.230 nan 0.000 0.456 258 V N 4.503 124.232 119.914 -0.308 0.000 2.623 258 V HA 0.416 4.536 4.120 -0.001 0.000 0.304 258 V C 0.143 176.153 176.094 -0.140 0.000 1.054 258 V CA -0.411 61.755 62.300 -0.223 0.000 0.882 258 V CB 1.892 33.559 31.823 -0.260 0.000 1.002 258 V HN 0.604 nan 8.190 nan 0.000 0.424 259 V N 3.296 123.184 119.914 -0.043 0.000 3.430 259 V HA 0.282 4.401 4.120 -0.001 0.000 0.211 259 V C 2.001 178.134 176.094 0.067 0.000 1.173 259 V CA 1.288 63.591 62.300 0.005 0.000 1.310 259 V CB -0.112 31.704 31.823 -0.012 0.000 1.361 259 V HN 0.851 nan 8.190 nan 0.000 0.512 260 G N -0.769 108.066 108.800 0.059 0.000 2.744 260 G HA2 -0.055 3.905 3.960 -0.001 0.000 0.211 260 G HA3 -0.055 3.905 3.960 -0.001 0.000 0.211 260 G C 0.742 175.707 174.900 0.109 0.000 1.146 260 G CA 0.793 45.944 45.100 0.086 0.000 0.787 260 G HN 0.576 nan 8.290 nan 0.000 0.534 261 N N -0.448 118.313 118.700 0.102 0.000 2.800 261 N HA -0.219 4.521 4.740 -0.001 0.000 0.250 261 N C 1.451 177.034 175.510 0.123 0.000 1.078 261 N CA 1.791 54.914 53.050 0.122 0.000 0.804 261 N CB -1.607 36.976 38.487 0.160 0.000 1.135 261 N HN 0.426 nan 8.380 nan 0.000 0.565 262 T N -4.392 110.229 114.554 0.113 0.000 3.088 262 T HA 0.126 4.476 4.350 -0.001 0.000 0.259 262 T C 1.358 176.130 174.700 0.121 0.000 1.122 262 T CA 1.197 63.371 62.100 0.123 0.000 1.095 262 T CB 0.296 69.240 68.868 0.127 0.000 0.930 262 T HN 0.313 nan 8.240 nan 0.000 0.508 263 E N 0.885 121.150 120.200 0.108 0.000 2.175 263 E HA 0.199 4.549 4.350 -0.001 0.000 0.195 263 E C 1.889 178.569 176.600 0.133 0.000 0.934 263 E CA 0.144 56.608 56.400 0.106 0.000 0.870 263 E CB -0.264 29.482 29.700 0.078 0.000 0.838 263 E HN 0.307 nan 8.360 nan 0.000 0.474 264 I N 1.094 121.736 120.570 0.120 0.000 2.394 264 I HA -0.033 4.136 4.170 -0.001 0.000 0.251 264 I C 2.217 178.464 176.117 0.216 0.000 1.136 264 I CA 1.471 62.870 61.300 0.165 0.000 1.425 264 I CB -1.468 36.588 38.000 0.092 0.000 1.079 264 I HN 0.282 nan 8.210 nan 0.000 0.425 265 G N 1.128 110.038 108.800 0.184 0.000 2.422 265 G HA2 -0.155 3.805 3.960 -0.001 0.000 0.218 265 G HA3 -0.155 3.805 3.960 -0.001 0.000 0.218 265 G C 1.624 176.653 174.900 0.215 0.000 1.140 265 G CA 0.195 45.403 45.100 0.180 0.000 0.775 265 G HN 0.175 nan 8.290 nan 0.000 0.545 266 I N 1.050 121.771 120.570 0.251 0.000 2.193 266 I HA -0.054 4.116 4.170 -0.001 0.000 0.240 266 I C 2.562 178.881 176.117 0.337 0.000 1.084 266 I CA 0.943 62.464 61.300 0.368 0.000 1.365 266 I CB -1.286 36.861 38.000 0.247 0.000 1.064 266 I HN 0.306 nan 8.210 nan 0.000 0.410 267 E N 0.368 120.719 120.200 0.250 0.000 2.085 267 E HA -0.243 4.107 4.350 -0.001 0.000 0.194 267 E C 2.311 179.000 176.600 0.148 0.000 0.994 267 E CA 1.431 57.965 56.400 0.224 0.000 0.801 267 E CB -0.155 29.715 29.700 0.283 0.000 0.743 267 E HN 0.409 nan 8.360 nan 0.000 0.453 268 M N 0.276 119.964 119.600 0.146 0.000 2.086 268 M HA -0.186 4.294 4.480 -0.001 0.000 0.261 268 M C 2.387 178.663 176.300 -0.039 0.000 1.067 268 M CA 1.481 56.806 55.300 0.041 0.000 1.116 268 M CB -0.053 32.602 32.600 0.092 0.000 1.348 268 M HN -0.112 nan 8.290 nan 0.000 0.407 269 K N 0.115 120.480 120.400 -0.058 0.000 2.076 269 K HA -0.033 4.287 4.320 -0.001 0.000 0.204 269 K C 1.231 177.543 176.600 -0.480 0.000 1.051 269 K CA 1.556 57.656 56.287 -0.312 0.000 0.949 269 K CB -0.072 32.161 32.500 -0.445 0.000 0.726 269 K HN 0.199 nan 8.250 nan 0.000 0.443 270 F N 0.252 120.221 119.950 0.031 0.000 2.714 270 F HA 0.258 4.785 4.527 -0.001 0.000 0.294 270 F C 1.312 177.125 175.800 0.022 0.000 1.120 270 F CA 0.137 58.157 58.000 0.034 0.000 1.398 270 F CB 0.602 39.639 39.000 0.063 0.000 1.120 270 F HN -0.149 nan 8.300 nan 0.000 0.589 271 K N -0.184 120.304 120.400 0.145 0.000 2.413 271 K HA 0.155 4.475 4.320 -0.001 0.000 0.204 271 K C -0.172 176.428 176.600 0.001 0.000 1.041 271 K CA 0.018 56.365 56.287 0.101 0.000 1.082 271 K CB -0.038 32.541 32.500 0.132 0.000 0.871 271 K HN 0.099 nan 8.250 nan 0.000 0.535 272 N N 2.786 121.434 118.700 -0.087 0.000 2.714 272 N HA -0.171 4.569 4.740 -0.001 0.000 0.252 272 N C -0.454 174.981 175.510 -0.125 0.000 1.014 272 N CA 0.912 53.862 53.050 -0.167 0.000 0.735 272 N CB -0.435 37.843 38.487 -0.349 0.000 0.924 272 N HN 0.317 nan 8.380 nan 0.000 0.540 273 Q N 0.313 120.025 119.800 -0.147 0.000 2.312 273 Q HA 0.503 4.842 4.340 -0.001 0.000 0.236 273 Q C 0.207 175.961 176.000 -0.410 0.000 0.965 273 Q CA -0.263 55.352 55.803 -0.314 0.000 0.894 273 Q CB 1.523 30.015 28.738 -0.410 0.000 1.225 273 Q HN 0.405 nan 8.270 nan 0.000 0.478 274 L N 1.482 122.367 121.223 -0.563 0.000 2.438 274 L HA 0.505 4.845 4.340 -0.001 0.000 0.270 274 L C -1.815 174.709 176.870 -0.577 0.000 0.972 274 L CA -0.224 54.362 54.840 -0.423 0.000 0.831 274 L CB 1.248 43.203 42.059 -0.174 0.000 1.273 274 L HN 0.479 nan 8.230 nan 0.000 0.405 275 F N 6.529 126.498 119.950 0.031 0.000 2.430 275 F HA 0.475 5.002 4.527 -0.000 0.000 0.362 275 F C -1.585 174.227 175.800 0.019 0.000 1.103 275 F CA -1.279 56.732 58.000 0.018 0.000 1.045 275 F CB 1.474 40.478 39.000 0.007 0.000 1.276 275 F HN 0.445 nan 8.300 nan 0.000 0.444 276 P HA -0.077 nan 4.420 nan 0.000 0.221 276 P C 0.049 177.397 177.300 0.080 0.000 1.150 276 P CA 1.149 64.308 63.100 0.098 0.000 0.800 276 P CB 0.465 32.205 31.700 0.066 0.000 0.787 277 M N -0.259 119.379 119.600 0.062 0.000 2.326 277 M HA 0.420 4.900 4.480 -0.001 0.000 0.306 277 M C -1.560 174.698 176.300 -0.071 0.000 1.054 277 M CA -0.756 54.529 55.300 -0.027 0.000 0.922 277 M CB 1.722 34.256 32.600 -0.110 0.000 1.632 277 M HN -0.321 nan 8.290 nan 0.000 0.436 278 I N 5.206 125.686 120.570 -0.150 0.000 2.545 278 I HA 0.464 4.633 4.170 -0.001 0.000 0.292 278 I C -1.177 174.637 176.117 -0.504 0.000 1.040 278 I CA -0.687 60.414 61.300 -0.333 0.000 1.068 278 I CB 2.417 40.192 38.000 -0.375 0.000 1.251 278 I HN 0.650 nan 8.210 nan 0.000 0.424 279 I N 5.466 125.734 120.570 -0.503 0.000 2.378 279 I HA 0.279 4.449 4.170 -0.001 0.000 0.291 279 I C -0.436 175.322 176.117 -0.598 0.000 0.992 279 I CA -0.484 60.516 61.300 -0.500 0.000 1.154 279 I CB 1.740 39.562 38.000 -0.297 0.000 1.315 279 I HN 0.502 nan 8.210 nan 0.000 0.448 280 C N 9.202 128.080 119.300 -0.703 0.000 2.246 280 C HA 0.458 4.918 4.460 -0.001 0.000 0.329 280 C C -1.320 173.491 174.990 -0.297 0.000 1.221 280 C CA -1.414 57.313 59.018 -0.486 0.000 1.697 280 C CB 0.154 27.687 27.740 -0.345 0.000 2.312 280 C HN 0.607 nan 8.230 nan 0.000 0.509 281 P HA 0.148 nan 4.420 nan 0.000 0.261 281 P C 0.873 178.148 177.300 -0.041 0.000 1.352 281 P CA 0.374 63.407 63.100 -0.112 0.000 0.891 281 P CB 0.132 31.779 31.700 -0.090 0.000 1.383 282 A N -0.647 122.142 122.820 -0.052 0.000 2.015 282 A HA -0.108 4.211 4.320 -0.001 0.000 0.219 282 A C 1.605 179.314 177.584 0.209 0.000 1.163 282 A CA 0.811 52.879 52.037 0.052 0.000 0.646 282 A CB -1.396 17.644 19.000 0.066 0.000 0.806 282 A HN 0.171 nan 8.150 nan 0.000 0.448 283 W N -0.067 121.265 121.300 0.054 0.000 2.800 283 W HA 0.246 4.907 4.660 0.001 0.000 0.249 283 W C 0.313 176.852 176.519 0.033 0.000 1.294 283 W CA -0.772 56.608 57.345 0.058 0.000 1.402 283 W CB -0.732 28.772 29.460 0.072 0.000 1.126 283 W HN 0.104 nan 8.180 nan 0.000 0.652 284 I N 2.879 123.584 120.570 0.226 0.000 2.533 284 I HA -0.034 4.136 4.170 -0.001 0.000 0.284 284 I C -0.990 175.178 176.117 0.085 0.000 1.109 284 I CA -1.383 59.996 61.300 0.133 0.000 1.412 284 I CB 0.930 38.975 38.000 0.075 0.000 1.396 284 I HN -0.342 nan 8.210 nan 0.000 0.543 285 P HA -0.170 nan 4.420 nan 0.000 0.216 285 P C 0.925 178.234 177.300 0.015 0.000 1.150 285 P CA 1.238 64.360 63.100 0.036 0.000 0.837 285 P CB 0.228 31.943 31.700 0.026 0.000 0.786 286 E N -1.055 119.151 120.200 0.010 0.000 2.347 286 E HA -0.037 4.313 4.350 -0.001 0.000 0.196 286 E C 1.571 178.163 176.600 -0.013 0.000 1.008 286 E CA 0.623 57.018 56.400 -0.008 0.000 0.852 286 E CB -0.712 28.981 29.700 -0.011 0.000 0.783 286 E HN 0.249 nan 8.360 nan 0.000 0.505 287 L N 0.487 121.710 121.223 0.001 0.000 2.592 287 L HA 0.107 4.446 4.340 -0.001 0.000 0.227 287 L C 1.205 178.075 176.870 0.000 0.000 1.127 287 L CA 0.274 55.111 54.840 -0.004 0.000 0.884 287 L CB 0.165 42.224 42.059 -0.000 0.000 1.065 287 L HN 0.116 nan 8.230 nan 0.000 0.457 288 N N -0.133 118.570 118.700 0.005 0.000 2.181 288 N HA 0.183 4.923 4.740 -0.001 0.000 0.207 288 N C 0.523 176.026 175.510 -0.011 0.000 1.182 288 N CA 0.054 53.106 53.050 0.003 0.000 0.893 288 N CB 0.972 39.468 38.487 0.015 0.000 1.032 288 N HN 0.089 nan 8.380 nan 0.000 0.513 289 A N 1.383 124.186 122.820 -0.028 0.000 2.450 289 A HA 0.409 4.729 4.320 -0.001 0.000 0.255 289 A C 0.221 177.740 177.584 -0.109 0.000 1.096 289 A CA -0.025 51.977 52.037 -0.057 0.000 0.778 289 A CB 0.490 19.456 19.000 -0.057 0.000 1.031 289 A HN -0.049 nan 8.150 nan 0.000 0.494 290 V N 3.559 123.385 119.914 -0.147 0.000 2.370 290 V HA 0.360 4.480 4.120 -0.001 0.000 0.283 290 V C -0.083 175.831 176.094 -0.301 0.000 1.023 290 V CA -0.286 61.824 62.300 -0.318 0.000 0.857 290 V CB 1.056 32.714 31.823 -0.275 0.000 0.985 290 V HN 0.973 nan 8.190 nan 0.000 0.443 291 E N 3.516 123.457 120.200 -0.432 0.000 2.216 291 E HA 0.399 4.749 4.350 -0.001 0.000 0.260 291 E C -1.019 175.358 176.600 -0.371 0.000 0.880 291 E CA -0.672 55.563 56.400 -0.276 0.000 0.765 291 E CB 1.410 31.001 29.700 -0.183 0.000 1.174 291 E HN 0.702 nan 8.360 nan 0.000 0.417 292 H N 2.419 121.388 119.070 -0.168 0.000 2.846 292 H HA 0.292 4.847 4.556 -0.001 0.000 0.278 292 H C 0.221 175.530 175.328 -0.031 0.000 1.117 292 H CA -0.231 55.761 56.048 -0.093 0.000 1.406 292 H CB 1.129 30.867 29.762 -0.041 0.000 1.445 292 H HN 0.611 nan 8.280 nan 0.000 0.469 293 G N 2.847 111.673 108.800 0.043 0.000 2.932 293 G HA2 0.217 4.177 3.960 -0.001 0.000 0.283 293 G HA3 0.217 4.177 3.960 -0.001 0.000 0.283 293 G C -1.583 173.406 174.900 0.149 0.000 1.336 293 G CA -1.232 43.895 45.100 0.046 0.000 1.056 293 G HN 0.259 nan 8.290 nan 0.000 0.522 294 P HA 0.053 nan 4.420 nan 0.000 0.225 294 P C 0.764 178.197 177.300 0.222 0.000 1.156 294 P CA 0.885 64.073 63.100 0.147 0.000 0.787 294 P CB 0.545 32.281 31.700 0.061 0.000 0.802 295 E N -0.394 119.876 120.200 0.117 0.000 2.472 295 E HA 0.300 4.650 4.350 -0.001 0.000 0.196 295 E C 1.296 177.826 176.600 -0.118 0.000 1.033 295 E CA 0.458 56.904 56.400 0.076 0.000 0.886 295 E CB 0.747 30.442 29.700 -0.009 0.000 0.944 295 E HN 0.274 nan 8.360 nan 0.000 0.492 296 G N 0.711 109.274 108.800 -0.396 0.000 2.368 296 G HA2 0.197 4.156 3.960 -0.001 0.000 0.269 296 G HA3 0.197 4.156 3.960 -0.001 0.000 0.269 296 G C -1.533 173.031 174.900 -0.561 0.000 1.291 296 G CA -0.968 43.565 45.100 -0.946 0.000 0.903 296 G HN 0.002 nan 8.290 nan 0.000 0.483 297 I N 1.533 121.821 120.570 -0.471 0.000 2.362 297 I HA 0.514 4.684 4.170 -0.001 0.000 0.289 297 I C 0.221 175.978 176.117 -0.598 0.000 0.994 297 I CA -0.661 60.276 61.300 -0.604 0.000 1.158 297 I CB 1.743 39.270 38.000 -0.789 0.000 1.315 297 I HN 0.428 nan 8.210 nan 0.000 0.451 298 S N 6.507 121.832 115.700 -0.626 0.000 2.462 298 S HA 0.669 5.138 4.470 -0.001 0.000 0.294 298 S C -0.968 173.255 174.600 -0.629 0.000 1.144 298 S CA -0.317 57.610 58.200 -0.455 0.000 1.088 298 S CB 0.437 63.464 63.200 -0.289 0.000 1.009 298 S HN 0.342 nan 8.310 nan 0.000 0.484 299 F N 2.347 122.150 119.950 -0.245 0.000 2.507 299 F HA 0.518 5.044 4.527 -0.001 0.000 0.325 299 F C 1.143 176.839 175.800 -0.174 0.000 1.116 299 F CA -0.711 57.160 58.000 -0.214 0.000 0.930 299 F CB 1.645 40.505 39.000 -0.232 0.000 1.146 299 F HN 0.757 nan 8.300 nan 0.000 0.447 300 G N 1.032 109.847 108.800 0.025 0.000 2.484 300 G HA2 0.280 4.239 3.960 -0.001 0.000 0.235 300 G HA3 0.280 4.239 3.960 -0.001 0.000 0.235 300 G C 0.877 175.774 174.900 -0.006 0.000 1.282 300 G CA 0.062 45.158 45.100 -0.007 0.000 0.857 300 G HN 0.982 nan 8.290 nan 0.000 0.571 301 A N 1.901 124.702 122.820 -0.032 0.000 2.131 301 A HA 0.148 4.468 4.320 -0.001 0.000 0.220 301 A C 2.484 180.043 177.584 -0.041 0.000 1.158 301 A CA 2.263 54.273 52.037 -0.045 0.000 0.665 301 A CB -0.175 18.799 19.000 -0.043 0.000 0.795 301 A HN 1.316 nan 8.150 nan 0.000 0.460 302 A N -1.656 121.146 122.820 -0.029 0.000 2.220 302 A HA 0.259 4.579 4.320 -0.001 0.000 0.211 302 A C 0.977 178.536 177.584 -0.042 0.000 1.176 302 A CA 0.089 52.109 52.037 -0.028 0.000 0.834 302 A CB -0.795 18.200 19.000 -0.008 0.000 0.868 302 A HN 0.441 nan 8.150 nan 0.000 0.488 303 C N 1.792 121.066 119.300 -0.043 0.000 2.334 303 C HA 0.290 4.749 4.460 -0.001 0.000 0.395 303 C C 1.450 176.360 174.990 -0.134 0.000 1.507 303 C CA -0.150 58.826 59.018 -0.069 0.000 1.494 303 C CB -1.669 26.057 27.740 -0.024 0.000 2.509 303 C HN 0.635 nan 8.230 nan 0.000 0.599 304 A N 4.560 127.284 122.820 -0.159 0.000 2.386 304 A HA 0.359 4.679 4.320 -0.001 0.000 0.248 304 A C 1.149 178.588 177.584 -0.242 0.000 1.082 304 A CA -0.377 51.547 52.037 -0.189 0.000 0.789 304 A CB 0.170 19.035 19.000 -0.224 0.000 1.025 304 A HN 0.944 nan 8.150 nan 0.000 0.490 305 L N 1.765 122.833 121.223 -0.259 0.000 2.127 305 L HA -0.212 4.128 4.340 -0.001 0.000 0.211 305 L C 2.813 179.496 176.870 -0.311 0.000 1.089 305 L CA 1.856 56.490 54.840 -0.342 0.000 0.757 305 L CB -0.502 41.295 42.059 -0.437 0.000 0.899 305 L HN 0.983 nan 8.230 nan 0.000 0.434 306 S N -1.652 113.903 115.700 -0.242 0.000 2.423 306 S HA -0.137 4.332 4.470 -0.001 0.000 0.231 306 S C 2.051 176.533 174.600 -0.197 0.000 1.014 306 S CA 1.266 59.344 58.200 -0.203 0.000 0.965 306 S CB -0.230 62.874 63.200 -0.160 0.000 0.785 306 S HN 0.316 nan 8.310 nan 0.000 0.495 307 S N 1.296 116.872 115.700 -0.207 0.000 2.371 307 S HA 0.028 4.497 4.470 -0.001 0.000 0.224 307 S C 1.947 176.448 174.600 -0.166 0.000 1.029 307 S CA 1.056 59.166 58.200 -0.151 0.000 0.978 307 S CB -0.521 62.610 63.200 -0.115 0.000 0.833 307 S HN 0.429 nan 8.310 nan 0.000 0.466 308 V N 1.823 121.506 119.914 -0.384 0.000 2.295 308 V HA -0.208 3.912 4.120 -0.001 0.000 0.246 308 V C 2.469 178.327 176.094 -0.393 0.000 1.049 308 V CA 1.944 63.800 62.300 -0.740 0.000 1.024 308 V CB -0.574 30.695 31.823 -0.923 0.000 0.648 308 V HN 0.508 nan 8.190 nan 0.000 0.447 309 E N 0.122 120.139 120.200 -0.305 0.000 2.058 309 E HA -0.302 4.048 4.350 -0.001 0.000 0.194 309 E C 2.358 178.872 176.600 -0.143 0.000 0.997 309 E CA 1.807 58.077 56.400 -0.217 0.000 0.801 309 E CB -0.128 29.447 29.700 -0.208 0.000 0.746 309 E HN 0.532 nan 8.360 nan 0.000 0.450 310 K N -0.388 119.940 120.400 -0.119 0.000 2.032 310 K HA -0.149 4.171 4.320 -0.001 0.000 0.209 310 K C 2.084 178.663 176.600 -0.034 0.000 1.048 310 K CA 1.976 58.220 56.287 -0.072 0.000 0.927 310 K CB -0.114 32.346 32.500 -0.067 0.000 0.712 310 K HN 0.108 nan 8.250 nan 0.000 0.441 311 T N 1.856 116.413 114.554 0.005 0.000 2.746 311 T HA -0.107 4.243 4.350 -0.001 0.000 0.267 311 T C 1.775 176.481 174.700 0.010 0.000 1.039 311 T CA 1.268 63.406 62.100 0.063 0.000 1.142 311 T CB -0.104 68.884 68.868 0.201 0.000 0.866 311 T HN 0.171 nan 8.240 nan 0.000 0.444 312 L N 0.199 121.387 121.223 -0.058 0.000 2.141 312 L HA 0.022 4.362 4.340 -0.001 0.000 0.209 312 L C 2.449 179.296 176.870 -0.038 0.000 1.094 312 L CA 0.808 55.554 54.840 -0.156 0.000 0.763 312 L CB -0.594 41.325 42.059 -0.233 0.000 0.908 312 L HN 0.250 nan 8.230 nan 0.000 0.437 313 L N -0.232 120.970 121.223 -0.034 0.000 1.994 313 L HA -0.237 4.103 4.340 -0.001 0.000 0.208 313 L C 2.533 179.415 176.870 0.019 0.000 1.071 313 L CA 1.340 56.175 54.840 -0.009 0.000 0.745 313 L CB -0.341 41.698 42.059 -0.034 0.000 0.892 313 L HN 0.220 nan 8.230 nan 0.000 0.431 314 E N -0.163 120.046 120.200 0.016 0.000 2.049 314 E HA -0.294 4.056 4.350 -0.001 0.000 0.198 314 E C 2.204 178.843 176.600 0.065 0.000 1.007 314 E CA 1.718 58.135 56.400 0.029 0.000 0.809 314 E CB -0.212 29.502 29.700 0.024 0.000 0.749 314 E HN 0.492 nan 8.360 nan 0.000 0.450 315 A N 0.152 123.032 122.820 0.100 0.000 1.908 315 A HA -0.182 4.138 4.320 -0.001 0.000 0.218 315 A C 2.442 180.161 177.584 0.226 0.000 1.181 315 A CA 1.515 53.669 52.037 0.195 0.000 0.627 315 A CB -0.665 18.486 19.000 0.252 0.000 0.818 315 A HN 0.187 nan 8.150 nan 0.000 0.445 316 V N -0.358 119.676 119.914 0.201 0.000 2.490 316 V HA -0.221 3.899 4.120 -0.001 0.000 0.250 316 V C 2.971 179.121 176.094 0.094 0.000 1.061 316 V CA 1.827 64.225 62.300 0.164 0.000 1.064 316 V CB -1.027 30.880 31.823 0.141 0.000 0.670 316 V HN 0.623 nan 8.190 nan 0.000 0.461 317 A N -0.521 122.340 122.820 0.069 0.000 1.968 317 A HA -0.155 4.165 4.320 -0.001 0.000 0.217 317 A C 2.263 179.869 177.584 0.037 0.000 1.169 317 A CA 1.638 53.700 52.037 0.042 0.000 0.638 317 A CB -0.242 18.774 19.000 0.027 0.000 0.812 317 A HN 0.526 nan 8.150 nan 0.000 0.446 318 K N -1.117 119.312 120.400 0.047 0.000 2.284 318 K HA 0.313 4.633 4.320 -0.001 0.000 0.198 318 K C 0.029 176.643 176.600 0.024 0.000 1.048 318 K CA 0.050 56.354 56.287 0.029 0.000 0.987 318 K CB 0.081 32.593 32.500 0.020 0.000 0.800 318 K HN 0.387 nan 8.250 nan 0.000 0.486 319 L N 1.515 122.767 121.223 0.048 0.000 2.358 319 L HA 0.380 4.720 4.340 -0.001 0.000 0.268 319 L C -2.292 174.581 176.870 0.004 0.000 1.032 319 L CA -2.572 52.278 54.840 0.017 0.000 0.805 319 L CB 0.482 42.563 42.059 0.037 0.000 1.253 319 L HN -0.174 nan 8.230 nan 0.000 0.452 320 P HA 0.017 nan 4.420 nan 0.000 0.271 320 P C 0.667 177.959 177.300 -0.012 0.000 1.218 320 P CA -0.287 62.799 63.100 -0.023 0.000 0.780 320 P CB 0.757 32.430 31.700 -0.045 0.000 0.901 321 T N 0.444 115.003 114.554 0.007 0.000 2.737 321 T HA -0.283 4.066 4.350 -0.001 0.000 0.269 321 T C 1.679 176.390 174.700 0.018 0.000 1.040 321 T CA 1.691 63.804 62.100 0.023 0.000 1.142 321 T CB -0.560 68.329 68.868 0.034 0.000 0.861 321 T HN 0.243 nan 8.240 nan 0.000 0.456 322 Q N 0.705 120.511 119.800 0.011 0.000 2.291 322 Q HA 0.070 4.409 4.340 -0.001 0.000 0.206 322 Q C 2.125 178.093 176.000 -0.055 0.000 0.976 322 Q CA 1.438 57.245 55.803 0.008 0.000 0.875 322 Q CB -0.281 28.462 28.738 0.008 0.000 0.927 322 Q HN 0.573 nan 8.270 nan 0.000 0.450 323 K N -1.010 119.336 120.400 -0.090 0.000 2.418 323 K HA 0.023 4.343 4.320 -0.001 0.000 0.195 323 K C 0.754 177.223 176.600 -0.218 0.000 1.035 323 K CA 1.249 57.447 56.287 -0.149 0.000 1.003 323 K CB 0.456 32.816 32.500 -0.233 0.000 0.793 323 K HN 0.333 nan 8.250 nan 0.000 0.494 324 T N -2.570 111.874 114.554 -0.183 0.000 3.182 324 T HA 0.189 4.538 4.350 -0.001 0.000 0.277 324 T C 0.949 175.549 174.700 -0.168 0.000 1.013 324 T CA -0.421 61.515 62.100 -0.273 0.000 0.900 324 T CB 0.457 69.337 68.868 0.020 0.000 1.098 324 T HN -0.080 nan 8.240 nan 0.000 0.543 325 E N 1.571 121.700 120.200 -0.118 0.000 2.070 325 E HA -0.098 4.251 4.350 -0.001 0.000 0.197 325 E C 2.200 178.746 176.600 -0.090 0.000 1.004 325 E CA 1.156 57.560 56.400 0.007 0.000 0.805 325 E CB -0.369 29.398 29.700 0.111 0.000 0.744 325 E HN 0.447 nan 8.360 nan 0.000 0.451 326 V N 1.244 120.952 119.914 -0.344 0.000 2.307 326 V HA -0.224 3.895 4.120 -0.001 0.000 0.245 326 V C 2.241 178.211 176.094 -0.207 0.000 1.045 326 V CA 1.514 63.435 62.300 -0.632 0.000 1.024 326 V CB -0.654 30.796 31.823 -0.621 0.000 0.651 326 V HN 0.085 nan 8.190 nan 0.000 0.449 327 F N 0.883 120.736 119.950 -0.162 0.000 2.126 327 F HA -0.133 4.394 4.527 -0.000 0.000 0.299 327 F C 2.563 178.322 175.800 -0.069 0.000 1.096 327 F CA 1.199 59.146 58.000 -0.087 0.000 1.255 327 F CB -1.175 37.814 39.000 -0.017 0.000 0.997 327 F HN 0.093 nan 8.300 nan 0.000 0.479 328 R N -0.086 120.510 120.500 0.160 0.000 2.115 328 R HA -0.074 4.265 4.340 -0.001 0.000 0.230 328 R C 2.589 178.927 176.300 0.063 0.000 1.111 328 R CA 0.953 57.111 56.100 0.096 0.000 0.976 328 R CB -0.997 29.357 30.300 0.090 0.000 0.870 328 R HN 0.382 nan 8.270 nan 0.000 0.445 329 G N 0.454 109.301 108.800 0.078 0.000 2.446 329 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.217 329 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.217 329 G C 1.419 176.328 174.900 0.017 0.000 1.168 329 G CA 0.953 46.126 45.100 0.121 0.000 0.771 329 G HN 0.145 nan 8.290 nan 0.000 0.551 330 V N 0.974 120.876 119.914 -0.021 0.000 2.343 330 V HA -0.120 4.000 4.120 -0.001 0.000 0.247 330 V C 2.933 178.978 176.094 -0.083 0.000 1.051 330 V CA 1.488 63.748 62.300 -0.067 0.000 1.036 330 V CB -0.478 31.328 31.823 -0.029 0.000 0.654 330 V HN 0.345 nan 8.190 nan 0.000 0.451 331 L N -0.476 120.712 121.223 -0.059 0.000 2.042 331 L HA -0.169 4.170 4.340 -0.001 0.000 0.210 331 L C 2.770 179.573 176.870 -0.112 0.000 1.076 331 L CA 1.458 56.245 54.840 -0.089 0.000 0.749 331 L CB -0.628 41.400 42.059 -0.052 0.000 0.893 331 L HN 0.306 nan 8.230 nan 0.000 0.432 332 E N -0.061 120.101 120.200 -0.064 0.000 2.031 332 E HA -0.198 4.151 4.350 -0.001 0.000 0.193 332 E C 2.265 178.850 176.600 -0.025 0.000 0.994 332 E CA 1.145 57.519 56.400 -0.043 0.000 0.800 332 E CB -0.121 29.585 29.700 0.010 0.000 0.752 332 E HN 0.410 nan 8.360 nan 0.000 0.447 333 Q N 0.355 120.155 119.800 -0.001 0.000 2.045 333 Q HA -0.155 4.185 4.340 -0.001 0.000 0.206 333 Q C 2.570 178.611 176.000 0.068 0.000 0.991 333 Q CA 1.062 56.901 55.803 0.060 0.000 0.851 333 Q CB -0.727 28.021 28.738 0.017 0.000 0.911 333 Q HN 0.356 nan 8.270 nan 0.000 0.418 334 L N 0.446 121.636 121.223 -0.056 0.000 2.261 334 L HA -0.166 4.174 4.340 -0.001 0.000 0.216 334 L C 2.647 179.423 176.870 -0.158 0.000 1.114 334 L CA 1.098 55.868 54.840 -0.116 0.000 0.777 334 L CB -0.347 41.583 42.059 -0.215 0.000 0.910 334 L HN 0.223 nan 8.230 nan 0.000 0.440 335 R N -0.207 120.089 120.500 -0.340 0.000 2.189 335 R HA -0.160 4.179 4.340 -0.001 0.000 0.218 335 R C 1.213 177.049 176.300 -0.773 0.000 1.074 335 R CA 1.175 56.872 56.100 -0.673 0.000 0.991 335 R CB -0.082 29.653 30.300 -0.941 0.000 0.883 335 R HN 0.378 nan 8.270 nan 0.000 0.457 336 W N -0.623 120.694 121.300 0.029 0.000 2.966 336 W HA 0.257 4.917 4.660 -0.000 0.000 0.406 336 W C -0.503 176.049 176.519 0.054 0.000 1.027 336 W CA -1.126 56.223 57.345 0.007 0.000 1.930 336 W CB 0.404 29.843 29.460 -0.034 0.000 1.144 336 W HN -0.104 nan 8.180 nan 0.000 0.626 337 F N 1.899 121.893 119.950 0.073 0.000 2.308 337 F HA 0.637 5.164 4.527 -0.000 0.000 0.370 337 F C 0.898 176.714 175.800 0.026 0.000 1.100 337 F CA -0.329 57.694 58.000 0.038 0.000 1.108 337 F CB -0.189 38.798 39.000 -0.021 0.000 1.293 337 F HN 0.046 nan 8.300 nan 0.000 0.478 338 A N 3.412 126.310 122.820 0.130 0.000 5.823 338 A HA 0.113 4.433 4.320 -0.001 0.000 0.273 338 A C 0.467 178.143 177.584 0.153 0.000 2.094 338 A CA 0.549 52.676 52.037 0.151 0.000 0.713 338 A CB -1.905 17.249 19.000 0.256 0.000 1.132 338 A HN 1.553 nan 8.150 nan 0.000 0.363 339 G N -3.410 105.470 108.800 0.132 0.000 2.870 339 G HA2 0.555 4.515 3.960 -0.001 0.000 0.299 339 G HA3 0.555 4.515 3.960 -0.001 0.000 0.299 339 G C 0.227 175.161 174.900 0.057 0.000 1.324 339 G CA 0.497 45.645 45.100 0.080 0.000 0.808 339 G HN 0.753 nan 8.290 nan 0.000 0.535 340 K N -0.260 120.150 120.400 0.017 0.000 2.057 340 K HA -0.102 4.218 4.320 -0.001 0.000 0.207 340 K C 2.542 179.174 176.600 0.054 0.000 1.049 340 K CA 1.528 57.817 56.287 0.004 0.000 0.931 340 K CB -0.527 31.950 32.500 -0.040 0.000 0.714 340 K HN 0.483 nan 8.250 nan 0.000 0.440 341 Q N 0.433 120.281 119.800 0.080 0.000 2.061 341 Q HA -0.110 4.230 4.340 -0.001 0.000 0.204 341 Q C 2.263 178.337 176.000 0.123 0.000 0.984 341 Q CA 1.479 57.350 55.803 0.114 0.000 0.846 341 Q CB -0.529 28.278 28.738 0.114 0.000 0.902 341 Q HN 0.035 nan 8.270 nan 0.000 0.421 342 V N 0.627 120.612 119.914 0.119 0.000 2.323 342 V HA -0.206 3.914 4.120 -0.001 0.000 0.244 342 V C 1.949 178.102 176.094 0.099 0.000 1.041 342 V CA 1.648 64.026 62.300 0.131 0.000 1.025 342 V CB -0.408 31.512 31.823 0.161 0.000 0.656 342 V HN 0.298 nan 8.190 nan 0.000 0.451 343 K N 0.072 120.512 120.400 0.067 0.000 2.211 343 K HA -0.132 4.187 4.320 -0.001 0.000 0.204 343 K C 2.227 178.784 176.600 -0.072 0.000 1.047 343 K CA 1.580 57.844 56.287 -0.037 0.000 0.935 343 K CB -0.211 32.242 32.500 -0.078 0.000 0.728 343 K HN 0.347 nan 8.250 nan 0.000 0.452 344 S N 0.188 115.878 115.700 -0.016 0.000 2.489 344 S HA -0.051 4.419 4.470 -0.001 0.000 0.228 344 S C 1.707 176.248 174.600 -0.098 0.000 0.995 344 S CA 0.998 59.160 58.200 -0.064 0.000 0.934 344 S CB 0.308 63.581 63.200 0.121 0.000 0.771 344 S HN 0.308 nan 8.310 nan 0.000 0.522 345 V N -2.463 117.458 119.914 0.012 0.000 3.539 345 V HA 0.597 4.716 4.120 -0.001 0.000 0.262 345 V C 0.594 176.696 176.094 0.014 0.000 1.381 345 V CA -0.027 62.294 62.300 0.035 0.000 1.060 345 V CB -0.461 31.448 31.823 0.143 0.000 0.842 345 V HN 0.246 nan 8.190 nan 0.000 0.445 346 A N 2.411 125.237 122.820 0.009 0.000 2.454 346 A HA 0.658 4.977 4.320 -0.001 0.000 0.260 346 A C 0.654 178.208 177.584 -0.050 0.000 1.106 346 A CA 0.644 52.690 52.037 0.015 0.000 0.780 346 A CB -0.102 18.931 19.000 0.057 0.000 1.044 346 A HN 0.990 nan 8.150 nan 0.000 0.498 347 S N 2.707 118.388 115.700 -0.032 0.000 2.654 347 S HA 0.498 4.967 4.470 -0.001 0.000 0.283 347 S C 1.065 175.624 174.600 -0.067 0.000 1.180 347 S CA -0.773 57.389 58.200 -0.064 0.000 1.021 347 S CB 0.901 64.077 63.200 -0.039 0.000 1.018 347 S HN 0.613 nan 8.310 nan 0.000 0.532 348 L N 1.391 122.553 121.223 -0.101 0.000 1.989 348 L HA -0.036 4.304 4.340 -0.001 0.000 0.211 348 L C 2.763 179.627 176.870 -0.010 0.000 1.071 348 L CA 1.916 56.709 54.840 -0.078 0.000 0.749 348 L CB -1.262 40.709 42.059 -0.147 0.000 0.890 348 L HN 1.044 nan 8.230 nan 0.000 0.431 349 G N -0.894 107.890 108.800 -0.027 0.000 2.469 349 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.219 349 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.219 349 G C 1.477 176.399 174.900 0.037 0.000 1.150 349 G CA 0.803 45.902 45.100 -0.001 0.000 0.763 349 G HN 0.546 nan 8.290 nan 0.000 0.561 350 G N 0.479 109.294 108.800 0.025 0.000 2.418 350 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.217 350 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.217 350 G C 1.692 176.641 174.900 0.082 0.000 1.158 350 G CA 1.080 46.205 45.100 0.040 0.000 0.771 350 G HN 0.496 nan 8.290 nan 0.000 0.545 351 N N 0.408 119.172 118.700 0.107 0.000 2.188 351 N HA -0.043 4.696 4.740 -0.001 0.000 0.184 351 N C 2.292 177.910 175.510 0.180 0.000 1.018 351 N CA 0.848 53.992 53.050 0.156 0.000 0.858 351 N CB -0.068 38.537 38.487 0.197 0.000 0.989 351 N HN 0.365 nan 8.380 nan 0.000 0.426 352 I N 0.967 121.664 120.570 0.210 0.000 2.233 352 I HA -0.203 3.967 4.170 -0.001 0.000 0.243 352 I C 2.053 178.382 176.117 0.353 0.000 1.093 352 I CA 0.631 62.118 61.300 0.313 0.000 1.380 352 I CB -0.082 38.062 38.000 0.240 0.000 1.067 352 I HN 0.096 nan 8.210 nan 0.000 0.413 353 I N 0.299 121.004 120.570 0.226 0.000 2.353 353 I HA -0.174 3.995 4.170 -0.001 0.000 0.248 353 I C 2.551 178.751 176.117 0.138 0.000 1.119 353 I CA 1.377 62.794 61.300 0.195 0.000 1.417 353 I CB -1.764 36.298 38.000 0.103 0.000 1.078 353 I HN 0.229 nan 8.210 nan 0.000 0.421 354 T N 1.635 116.246 114.554 0.095 0.000 2.653 354 T HA -0.188 4.161 4.350 -0.001 0.000 0.268 354 T C 1.361 176.076 174.700 0.025 0.000 1.035 354 T CA 1.858 63.985 62.100 0.045 0.000 1.154 354 T CB -0.442 68.451 68.868 0.043 0.000 0.862 354 T HN 0.578 nan 8.240 nan 0.000 0.441 355 A N 1.220 124.076 122.820 0.061 0.000 2.791 355 A HA -0.144 4.175 4.320 -0.001 0.000 0.292 355 A C 0.916 178.400 177.584 -0.166 0.000 1.487 355 A CA 0.737 52.740 52.037 -0.057 0.000 0.760 355 A CB -2.230 16.843 19.000 0.122 0.000 1.031 355 A HN 0.610 nan 8.150 nan 0.000 0.503 356 S N -0.325 115.305 115.700 -0.116 0.000 2.560 356 S HA 0.398 4.867 4.470 -0.001 0.000 0.284 356 S C -0.359 174.172 174.600 -0.114 0.000 1.327 356 S CA -0.452 57.687 58.200 -0.102 0.000 1.055 356 S CB 0.532 63.702 63.200 -0.049 0.000 0.868 356 S HN 0.330 nan 8.310 nan 0.000 0.506 357 P HA -0.096 nan 4.420 nan 0.000 0.218 357 P C 0.563 177.845 177.300 -0.030 0.000 1.146 357 P CA 1.120 64.212 63.100 -0.014 0.000 0.813 357 P CB -0.177 31.567 31.700 0.074 0.000 0.778 358 I N -5.859 114.691 120.570 -0.033 0.000 3.856 358 I HA 0.293 4.462 4.170 -0.001 0.000 0.330 358 I C 0.414 176.496 176.117 -0.058 0.000 1.546 358 I CA -0.857 60.424 61.300 -0.032 0.000 1.132 358 I CB -0.503 37.484 38.000 -0.022 0.000 1.157 358 I HN -0.294 nan 8.210 nan 0.000 0.440 359 S N 1.342 116.998 115.700 -0.073 0.000 2.558 359 S HA -0.013 4.456 4.470 -0.001 0.000 0.293 359 S C 0.962 175.530 174.600 -0.053 0.000 1.292 359 S CA 0.218 58.384 58.200 -0.058 0.000 1.063 359 S CB 0.256 63.418 63.200 -0.064 0.000 0.831 359 S HN 0.462 nan 8.310 nan 0.000 0.499 360 D N 3.805 124.192 120.400 -0.022 0.000 2.333 360 D HA 0.062 4.701 4.640 -0.001 0.000 0.208 360 D C 1.559 177.807 176.300 -0.086 0.000 0.984 360 D CA 0.630 54.620 54.000 -0.017 0.000 0.873 360 D CB 0.184 41.014 40.800 0.051 0.000 0.935 360 D HN 0.510 nan 8.370 nan 0.000 0.521 361 L N 0.518 121.667 121.223 -0.123 0.000 2.253 361 L HA 0.022 4.361 4.340 -0.001 0.000 0.205 361 L C 2.007 178.520 176.870 -0.596 0.000 1.078 361 L CA 0.238 54.783 54.840 -0.492 0.000 0.805 361 L CB -0.199 41.600 42.059 -0.433 0.000 0.963 361 L HN -0.151 nan 8.230 nan 0.000 0.459 362 N N 0.740 119.329 118.700 -0.187 0.000 2.094 362 N HA -0.153 4.587 4.740 -0.001 0.000 0.191 362 N C -0.906 174.604 175.510 0.001 0.000 1.023 362 N CA 1.514 54.564 53.050 0.001 0.000 0.857 362 N CB -1.556 36.926 38.487 -0.008 0.000 1.013 362 N HN 0.237 nan 8.380 nan 0.000 0.426 363 P HA -0.040 nan 4.420 nan 0.000 0.221 363 P C 1.558 178.846 177.300 -0.021 0.000 1.145 363 P CA 0.622 63.701 63.100 -0.034 0.000 0.795 363 P CB 0.159 31.809 31.700 -0.083 0.000 0.775 364 V N -1.883 117.974 119.914 -0.095 0.000 2.599 364 V HA -0.074 4.045 4.120 -0.001 0.000 0.245 364 V C 2.070 178.239 176.094 0.126 0.000 1.046 364 V CA 1.165 63.496 62.300 0.051 0.000 1.065 364 V CB -1.077 30.666 31.823 -0.133 0.000 0.703 364 V HN 0.032 nan 8.190 nan 0.000 0.464 365 F N -0.757 119.233 119.950 0.065 0.000 2.171 365 F HA -0.231 4.296 4.527 -0.000 0.000 0.300 365 F C 2.471 178.300 175.800 0.047 0.000 1.090 365 F CA 1.709 59.720 58.000 0.018 0.000 1.293 365 F CB -0.221 38.773 39.000 -0.009 0.000 1.013 365 F HN 0.116 nan 8.300 nan 0.000 0.486 366 M N 0.417 120.176 119.600 0.265 0.000 2.132 366 M HA -0.122 4.358 4.480 -0.001 0.000 0.263 366 M C 2.321 178.729 176.300 0.178 0.000 1.065 366 M CA 1.773 57.203 55.300 0.215 0.000 1.122 366 M CB -0.185 32.565 32.600 0.251 0.000 1.365 366 M HN 0.122 nan 8.290 nan 0.000 0.411 367 A N -0.348 122.582 122.820 0.184 0.000 2.121 367 A HA -0.088 4.232 4.320 -0.001 0.000 0.218 367 A C 1.991 179.751 177.584 0.293 0.000 1.154 367 A CA 1.661 53.802 52.037 0.173 0.000 0.679 367 A CB -0.660 18.365 19.000 0.042 0.000 0.795 367 A HN 0.694 nan 8.150 nan 0.000 0.458 368 S N -2.142 113.730 115.700 0.288 0.000 2.540 368 S HA 0.394 4.864 4.470 -0.001 0.000 0.218 368 S C 1.288 175.930 174.600 0.070 0.000 0.977 368 S CA 0.835 59.134 58.200 0.164 0.000 0.918 368 S CB -0.296 62.877 63.200 -0.046 0.000 0.806 368 S HN 1.781 nan 8.310 nan 0.000 0.496 369 G N 1.715 110.562 108.800 0.078 0.000 2.283 369 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.280 369 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.280 369 G C 0.121 175.004 174.900 -0.027 0.000 1.029 369 G CA 0.389 45.503 45.100 0.024 0.000 0.840 369 G HN 0.572 nan 8.290 nan 0.000 0.505 370 T N 0.750 115.291 114.554 -0.022 0.000 2.933 370 T HA 0.230 4.579 4.350 -0.001 0.000 0.306 370 T C 0.875 175.468 174.700 -0.179 0.000 1.045 370 T CA 0.534 62.566 62.100 -0.112 0.000 1.143 370 T CB 0.579 69.351 68.868 -0.160 0.000 1.003 370 T HN 0.377 nan 8.240 nan 0.000 0.540 371 K N 3.494 123.781 120.400 -0.188 0.000 2.227 371 K HA 0.367 4.686 4.320 -0.001 0.000 0.280 371 K C -0.417 176.051 176.600 -0.220 0.000 1.041 371 K CA -0.416 55.765 56.287 -0.178 0.000 0.905 371 K CB 0.914 33.334 32.500 -0.134 0.000 1.068 371 K HN 0.462 nan 8.250 nan 0.000 0.470 372 L N 2.883 123.969 121.223 -0.230 0.000 2.272 372 L HA 0.278 4.618 4.340 -0.001 0.000 0.289 372 L C 0.014 176.799 176.870 -0.142 0.000 1.032 372 L CA -0.605 54.098 54.840 -0.229 0.000 0.810 372 L CB 1.480 43.342 42.059 -0.328 0.000 1.205 372 L HN 0.521 nan 8.230 nan 0.000 0.422 373 T N 4.861 119.345 114.554 -0.118 0.000 2.743 373 T HA 0.593 4.943 4.350 -0.001 0.000 0.292 373 T C -0.014 174.651 174.700 -0.057 0.000 0.972 373 T CA -0.134 61.919 62.100 -0.079 0.000 0.967 373 T CB 0.603 69.424 68.868 -0.078 0.000 0.926 373 T HN 0.269 nan 8.240 nan 0.000 0.459 374 I N 2.886 123.434 120.570 -0.035 0.000 2.603 374 I HA 0.723 4.892 4.170 -0.001 0.000 0.300 374 I C -0.554 175.551 176.117 -0.019 0.000 1.017 374 I CA -1.085 60.206 61.300 -0.016 0.000 1.098 374 I CB 2.156 40.164 38.000 0.014 0.000 1.279 374 I HN 0.241 nan 8.210 nan 0.000 0.437 375 V N 3.614 123.517 119.914 -0.019 0.000 2.969 375 V HA 0.616 4.736 4.120 -0.001 0.000 0.304 375 V C -0.738 175.343 176.094 -0.022 0.000 1.192 375 V CA -0.223 62.064 62.300 -0.022 0.000 0.962 375 V CB 2.550 34.358 31.823 -0.025 0.000 1.045 375 V HN 0.913 nan 8.190 nan 0.000 0.428 376 S N 5.006 120.693 115.700 -0.022 0.000 2.651 376 S HA 0.576 5.046 4.470 -0.001 0.000 0.279 376 S C 0.837 175.425 174.600 -0.020 0.000 1.148 376 S CA -0.362 57.824 58.200 -0.022 0.000 0.837 376 S CB 2.058 65.244 63.200 -0.023 0.000 1.138 376 S HN 0.756 nan 8.310 nan 0.000 0.478 377 R N 0.664 121.152 120.500 -0.020 0.000 2.196 377 R HA -0.173 4.166 4.340 -0.001 0.000 0.244 377 R C 1.246 177.535 176.300 -0.017 0.000 1.121 377 R CA 2.321 58.410 56.100 -0.018 0.000 0.930 377 R CB -1.172 29.116 30.300 -0.019 0.000 0.890 377 R HN 0.865 nan 8.270 nan 0.000 0.435 378 G N -0.101 108.688 108.800 -0.017 0.000 4.637 378 G HA2 0.279 4.238 3.960 -0.001 0.000 0.308 378 G HA3 0.279 4.238 3.960 -0.001 0.000 0.308 378 G C -1.029 173.861 174.900 -0.017 0.000 1.377 378 G CA -0.167 44.923 45.100 -0.016 0.000 1.176 378 G HN 0.211 nan 8.290 nan 0.000 0.601 379 T N -0.273 114.270 114.554 -0.018 0.000 3.012 379 T HA 0.647 4.997 4.350 -0.001 0.000 0.330 379 T C -1.031 173.657 174.700 -0.020 0.000 1.321 379 T CA -0.690 61.399 62.100 -0.019 0.000 1.067 379 T CB 2.473 71.329 68.868 -0.019 0.000 1.235 379 T HN 0.441 nan 8.240 nan 0.000 0.479 380 R N 2.329 122.817 120.500 -0.020 0.000 2.658 380 R HA 0.452 4.792 4.340 -0.001 0.000 0.287 380 R C -1.084 175.202 176.300 -0.023 0.000 1.209 380 R CA -0.722 55.364 56.100 -0.023 0.000 1.046 380 R CB 0.827 31.112 30.300 -0.024 0.000 1.247 380 R HN 0.752 nan 8.270 nan 0.000 0.405 381 R N 1.523 122.010 120.500 -0.023 0.000 2.854 381 R HA 0.648 4.988 4.340 -0.001 0.000 0.271 381 R C -1.221 175.060 176.300 -0.032 0.000 0.996 381 R CA -0.950 55.136 56.100 -0.024 0.000 0.961 381 R CB 2.269 32.559 30.300 -0.017 0.000 1.182 381 R HN 0.308 nan 8.270 nan 0.000 0.479 382 T N 1.415 115.947 114.554 -0.037 0.000 2.812 382 T HA 0.456 4.806 4.350 -0.001 0.000 0.282 382 T C -0.982 173.688 174.700 -0.050 0.000 0.990 382 T CA -0.556 61.512 62.100 -0.052 0.000 0.960 382 T CB 1.591 70.424 68.868 -0.057 0.000 0.948 382 T HN 0.342 nan 8.240 nan 0.000 0.438 383 V N 5.724 125.599 119.914 -0.066 0.000 2.789 383 V HA 0.505 4.625 4.120 -0.001 0.000 0.311 383 V C -2.472 173.560 176.094 -0.104 0.000 1.073 383 V CA -2.412 59.852 62.300 -0.061 0.000 0.921 383 V CB 2.404 34.213 31.823 -0.023 0.000 1.009 383 V HN 0.648 nan 8.190 nan 0.000 0.426 384 P HA 0.258 nan 4.420 nan 0.000 0.281 384 P C -0.349 176.882 177.300 -0.114 0.000 1.252 384 P CA -0.411 62.634 63.100 -0.091 0.000 0.778 384 P CB 0.506 32.180 31.700 -0.043 0.000 0.895 385 M N 4.112 123.603 119.600 -0.181 0.000 2.269 385 M HA 0.072 4.552 4.480 -0.001 0.000 0.350 385 M C -0.102 176.184 176.300 -0.023 0.000 1.429 385 M CA 1.051 56.224 55.300 -0.211 0.000 1.063 385 M CB -0.053 32.412 32.600 -0.226 0.000 1.841 385 M HN 0.451 nan 8.290 nan 0.000 0.455 386 D N 3.203 123.620 120.400 0.027 0.000 2.798 386 D HA 0.110 4.750 4.640 -0.001 0.000 0.308 386 D C 0.648 177.029 176.300 0.135 0.000 1.187 386 D CA -0.296 53.768 54.000 0.106 0.000 1.033 386 D CB -0.026 40.827 40.800 0.089 0.000 1.445 386 D HN 0.752 nan 8.370 nan 0.000 0.550 387 H N -1.277 117.880 119.070 0.145 0.000 2.521 387 H HA -0.059 4.496 4.556 -0.000 0.000 0.286 387 H C 1.168 176.599 175.328 0.171 0.000 1.034 387 H CA 1.899 58.056 56.048 0.181 0.000 1.278 387 H CB -0.756 29.089 29.762 0.138 0.000 1.386 387 H HN 0.478 nan 8.280 nan 0.000 0.567 388 T N -2.587 111.649 114.554 -0.530 0.000 3.085 388 T HA -0.091 4.258 4.350 -0.001 0.000 0.263 388 T C 1.718 176.328 174.700 -0.149 0.000 1.127 388 T CA 0.097 61.992 62.100 -0.341 0.000 1.103 388 T CB -0.903 67.765 68.868 -0.333 0.000 0.921 388 T HN 0.262 nan 8.240 nan 0.000 0.510 389 F N 1.490 121.279 119.950 -0.269 0.000 2.365 389 F HA 0.327 4.853 4.527 -0.001 0.000 0.300 389 F C -0.145 175.301 175.800 -0.590 0.000 1.090 389 F CA -0.237 57.493 58.000 -0.448 0.000 1.408 389 F CB 0.008 38.648 39.000 -0.600 0.000 1.060 389 F HN 0.135 nan 8.300 nan 0.000 0.534 390 F N 1.649 121.621 119.950 0.036 0.000 2.443 390 F HA 0.337 4.863 4.527 -0.001 0.000 0.369 390 F C -1.709 174.086 175.800 -0.008 0.000 1.090 390 F CA -1.923 56.072 58.000 -0.009 0.000 1.129 390 F CB 0.726 39.790 39.000 0.106 0.000 1.367 390 F HN -0.213 nan 8.300 nan 0.000 0.465 391 P HA 0.027 nan 4.420 nan 0.000 0.230 391 P C 0.006 177.360 177.300 0.090 0.000 1.168 391 P CA 0.695 63.826 63.100 0.051 0.000 0.793 391 P CB 0.708 32.394 31.700 -0.024 0.000 0.851 392 S N -2.430 113.336 115.700 0.110 0.000 2.683 392 S HA 0.222 4.691 4.470 -0.001 0.000 0.269 392 S C -1.232 173.463 174.600 0.158 0.000 1.165 392 S CA -0.957 57.321 58.200 0.130 0.000 0.840 392 S CB 0.144 63.407 63.200 0.106 0.000 1.169 392 S HN -0.070 nan 8.310 nan 0.000 0.490 393 Y N 2.855 123.186 120.300 0.052 0.000 2.804 393 Y HA 0.227 4.776 4.550 -0.000 0.000 0.338 393 Y C 1.472 177.405 175.900 0.054 0.000 1.252 393 Y CA 1.285 59.413 58.100 0.046 0.000 1.576 393 Y CB -0.254 38.228 38.460 0.036 0.000 1.223 393 Y HN 0.857 nan 8.280 nan 0.000 0.536 394 R N 1.813 122.045 120.500 -0.446 0.000 4.000 394 R HA -0.256 4.083 4.340 -0.001 0.000 0.362 394 R C -0.502 175.727 176.300 -0.118 0.000 1.183 394 R CA 1.419 57.283 56.100 -0.393 0.000 1.011 394 R CB -1.251 28.645 30.300 -0.673 0.000 1.501 394 R HN 0.620 nan 8.270 nan 0.000 0.553 395 K N 0.308 120.694 120.400 -0.023 0.000 2.221 395 K HA 0.499 4.819 4.320 -0.001 0.000 0.243 395 K C 0.301 176.904 176.600 0.006 0.000 0.968 395 K CA -0.274 56.007 56.287 -0.009 0.000 0.846 395 K CB 1.935 34.423 32.500 -0.020 0.000 1.141 395 K HN 0.108 nan 8.250 nan 0.000 0.434 396 T N -2.508 111.953 114.554 -0.155 0.000 2.901 396 T HA 0.323 4.672 4.350 -0.001 0.000 0.293 396 T C 0.705 175.047 174.700 -0.596 0.000 1.084 396 T CA -0.968 60.818 62.100 -0.524 0.000 1.008 396 T CB 0.583 69.104 68.868 -0.578 0.000 1.170 396 T HN 0.407 nan 8.240 nan 0.000 0.509 397 L N 0.827 121.477 121.223 -0.954 0.000 2.786 397 L HA 0.112 4.452 4.340 -0.001 0.000 0.250 397 L C 0.381 177.036 176.870 -0.358 0.000 1.151 397 L CA 0.061 54.560 54.840 -0.569 0.000 0.910 397 L CB -0.691 41.072 42.059 -0.493 0.000 1.082 397 L HN 0.445 nan 8.230 nan 0.000 0.433 398 L N 0.466 121.496 121.223 -0.321 0.000 2.426 398 L HA 0.186 4.526 4.340 -0.001 0.000 0.271 398 L C 1.105 177.912 176.870 -0.104 0.000 1.169 398 L CA 0.566 55.325 54.840 -0.136 0.000 0.836 398 L CB 0.863 42.872 42.059 -0.083 0.000 1.112 398 L HN 0.043 nan 8.230 nan 0.000 0.465 399 G N 3.330 112.090 108.800 -0.066 0.000 2.599 399 G HA2 0.358 4.317 3.960 -0.001 0.000 0.264 399 G HA3 0.358 4.317 3.960 -0.001 0.000 0.264 399 G C -1.813 173.059 174.900 -0.046 0.000 1.200 399 G CA -0.812 44.255 45.100 -0.054 0.000 0.896 399 G HN 0.532 nan 8.290 nan 0.000 0.536 400 P HA 0.002 nan 4.420 nan 0.000 0.219 400 P C 1.164 178.446 177.300 -0.030 0.000 1.150 400 P CA 0.910 63.991 63.100 -0.031 0.000 0.814 400 P CB 0.357 32.043 31.700 -0.022 0.000 0.787 401 E N -0.570 119.613 120.200 -0.029 0.000 2.435 401 E HA -0.010 4.339 4.350 -0.001 0.000 0.195 401 E C 0.405 176.988 176.600 -0.029 0.000 1.029 401 E CA 0.421 56.805 56.400 -0.027 0.000 0.865 401 E CB -0.348 29.336 29.700 -0.026 0.000 0.833 401 E HN 0.457 nan 8.360 nan 0.000 0.510 402 E N 0.432 120.614 120.200 -0.030 0.000 2.313 402 E HA 0.354 4.704 4.350 -0.001 0.000 0.272 402 E C -0.257 176.327 176.600 -0.028 0.000 1.038 402 E CA -0.539 55.845 56.400 -0.027 0.000 0.863 402 E CB 1.210 30.895 29.700 -0.024 0.000 1.060 402 E HN 0.068 nan 8.360 nan 0.000 0.402 403 I N -0.695 119.860 120.570 -0.026 0.000 2.740 403 I HA 0.354 4.523 4.170 -0.001 0.000 0.303 403 I C -0.948 175.159 176.117 -0.016 0.000 1.044 403 I CA -1.279 60.005 61.300 -0.027 0.000 1.064 403 I CB 0.999 38.975 38.000 -0.039 0.000 1.249 403 I HN 0.274 nan 8.210 nan 0.000 0.433 404 L N 4.615 125.832 121.223 -0.009 0.000 2.361 404 L HA 0.304 4.644 4.340 -0.001 0.000 0.278 404 L C 0.368 177.218 176.870 -0.033 0.000 1.113 404 L CA 0.159 54.991 54.840 -0.014 0.000 0.849 404 L CB 0.987 43.044 42.059 -0.004 0.000 1.155 404 L HN 0.874 nan 8.230 nan 0.000 0.452 405 L N 3.836 125.034 121.223 -0.042 0.000 2.200 405 L HA 0.360 4.699 4.340 -0.001 0.000 0.200 405 L C 0.566 177.404 176.870 -0.055 0.000 1.072 405 L CA 1.289 56.103 54.840 -0.044 0.000 0.787 405 L CB 0.027 42.060 42.059 -0.043 0.000 0.957 405 L HN 0.868 nan 8.230 nan 0.000 0.459 406 S N -1.798 113.857 115.700 -0.074 0.000 2.567 406 S HA 0.626 5.096 4.470 -0.001 0.000 0.270 406 S C -1.056 173.467 174.600 -0.127 0.000 1.152 406 S CA -0.800 57.348 58.200 -0.087 0.000 0.835 406 S CB 1.306 64.453 63.200 -0.087 0.000 1.115 406 S HN -0.062 nan 8.310 nan 0.000 0.459 407 I N 1.136 121.621 120.570 -0.141 0.000 2.499 407 I HA 0.476 4.646 4.170 -0.001 0.000 0.288 407 I C -0.485 175.520 176.117 -0.185 0.000 1.048 407 I CA -0.134 61.033 61.300 -0.222 0.000 1.062 407 I CB 2.062 39.865 38.000 -0.327 0.000 1.238 407 I HN 0.848 nan 8.210 nan 0.000 0.426 408 E N 6.825 126.899 120.200 -0.210 0.000 2.113 408 E HA 0.504 4.854 4.350 -0.001 0.000 0.273 408 E C -1.086 175.405 176.600 -0.183 0.000 0.924 408 E CA -0.544 55.739 56.400 -0.195 0.000 0.764 408 E CB 0.972 30.563 29.700 -0.182 0.000 1.104 408 E HN 0.487 nan 8.360 nan 0.000 0.406 409 I N 7.680 128.172 120.570 -0.129 0.000 2.312 409 I HA 0.266 4.436 4.170 -0.001 0.000 0.291 409 I C -1.986 174.150 176.117 0.032 0.000 1.031 409 I CA -2.069 59.215 61.300 -0.026 0.000 1.293 409 I CB 1.057 39.103 38.000 0.076 0.000 1.403 409 I HN 0.348 nan 8.210 nan 0.000 0.484 410 P HA 0.144 nan 4.420 nan 0.000 0.281 410 P C -1.074 176.053 177.300 -0.289 0.000 1.249 410 P CA -0.309 62.692 63.100 -0.165 0.000 0.810 410 P CB 0.586 32.213 31.700 -0.122 0.000 1.008 411 Y N 0.156 120.333 120.300 -0.206 0.000 2.480 411 Y HA 0.074 4.623 4.550 -0.001 0.000 0.338 411 Y C 1.720 177.433 175.900 -0.312 0.000 1.220 411 Y CA -0.097 57.764 58.100 -0.398 0.000 1.430 411 Y CB 0.405 38.736 38.460 -0.215 0.000 1.311 411 Y HN 0.348 nan 8.280 nan 0.000 0.575 412 S N 2.941 118.537 115.700 -0.174 0.000 2.632 412 S HA 0.605 5.075 4.470 -0.001 0.000 0.271 412 S C -0.296 174.241 174.600 -0.106 0.000 1.260 412 S CA -1.138 56.977 58.200 -0.142 0.000 1.010 412 S CB 1.565 64.679 63.200 -0.143 0.000 0.965 412 S HN 0.617 nan 8.310 nan 0.000 0.534 413 R N 0.052 120.481 120.500 -0.119 0.000 2.606 413 R HA 0.422 4.761 4.340 -0.001 0.000 0.249 413 R C -0.226 175.980 176.300 -0.157 0.000 1.127 413 R CA -0.951 55.081 56.100 -0.115 0.000 1.133 413 R CB 0.365 30.606 30.300 -0.098 0.000 1.243 413 R HN 0.610 nan 8.270 nan 0.000 0.558 414 E N 1.819 121.944 120.200 -0.124 0.000 2.398 414 E HA -0.049 4.300 4.350 -0.001 0.000 0.263 414 E C -0.268 176.216 176.600 -0.193 0.000 1.046 414 E CA 0.556 56.881 56.400 -0.125 0.000 0.908 414 E CB 0.189 29.850 29.700 -0.065 0.000 0.963 414 E HN 0.565 nan 8.360 nan 0.000 0.431 415 D N 0.634 120.877 120.400 -0.262 0.000 3.079 415 D HA -0.221 4.419 4.640 -0.001 0.000 0.214 415 D C 0.018 175.955 176.300 -0.605 0.000 1.145 415 D CA 1.103 54.926 54.000 -0.295 0.000 0.958 415 D CB -0.728 40.043 40.800 -0.048 0.000 1.117 415 D HN 0.559 nan 8.370 nan 0.000 0.416 416 E N -0.241 119.431 120.200 -0.881 0.000 2.191 416 E HA 0.549 4.899 4.350 -0.001 0.000 0.263 416 E C -1.087 175.032 176.600 -0.803 0.000 0.881 416 E CA -0.518 55.484 56.400 -0.664 0.000 0.757 416 E CB 1.145 30.665 29.700 -0.300 0.000 1.147 416 E HN -0.054 nan 8.360 nan 0.000 0.414 417 F N 3.518 123.501 119.950 0.054 0.000 2.563 417 F HA 0.587 5.114 4.527 -0.001 0.000 0.316 417 F C -0.755 175.211 175.800 0.277 0.000 1.076 417 F CA -1.051 57.015 58.000 0.110 0.000 0.921 417 F CB 1.662 40.664 39.000 0.002 0.000 1.209 417 F HN 0.383 nan 8.300 nan 0.000 0.462 418 F N 0.824 120.962 119.950 0.312 0.000 2.569 418 F HA 0.679 5.206 4.527 -0.000 0.000 0.312 418 F C -0.777 175.098 175.800 0.126 0.000 1.109 418 F CA -0.315 57.792 58.000 0.178 0.000 0.919 418 F CB 1.917 40.935 39.000 0.030 0.000 1.211 418 F HN 0.377 nan 8.300 nan 0.000 0.446 419 S N 2.903 118.391 115.700 -0.355 0.000 2.548 419 S HA 0.910 5.380 4.470 -0.001 0.000 0.286 419 S C -1.264 172.812 174.600 -0.873 0.000 1.098 419 S CA -0.707 57.202 58.200 -0.485 0.000 0.930 419 S CB 1.850 64.804 63.200 -0.409 0.000 1.070 419 S HN 0.822 nan 8.310 nan 0.000 0.480 420 A N 2.204 124.552 122.820 -0.787 0.000 2.343 420 A HA 0.879 5.199 4.320 -0.001 0.000 0.308 420 A C -1.331 175.696 177.584 -0.929 0.000 1.092 420 A CA -0.535 51.107 52.037 -0.659 0.000 0.751 420 A CB 0.414 19.284 19.000 -0.216 0.000 1.203 420 A HN 0.642 nan 8.150 nan 0.000 0.452 421 F N 0.910 120.594 119.950 -0.442 0.000 2.588 421 F HA 0.704 5.231 4.527 -0.000 0.000 0.314 421 F C 0.158 175.543 175.800 -0.691 0.000 1.069 421 F CA -0.657 56.922 58.000 -0.701 0.000 0.931 421 F CB 2.639 40.773 39.000 -1.443 0.000 1.260 421 F HN 0.542 nan 8.300 nan 0.000 0.465 422 K N 2.246 122.497 120.400 -0.248 0.000 2.535 422 K HA 0.460 4.780 4.320 -0.001 0.000 0.250 422 K C -1.807 174.872 176.600 0.131 0.000 0.948 422 K CA -0.700 55.570 56.287 -0.027 0.000 0.796 422 K CB 1.931 34.452 32.500 0.034 0.000 1.216 422 K HN 0.605 nan 8.250 nan 0.000 0.432 423 Q N 3.062 123.065 119.800 0.338 0.000 2.333 423 Q HA 0.672 5.011 4.340 -0.001 0.000 0.267 423 Q C -1.541 174.528 176.000 0.116 0.000 1.012 423 Q CA -0.327 55.619 55.803 0.238 0.000 0.824 423 Q CB 2.077 30.981 28.738 0.276 0.000 1.290 423 Q HN 0.756 nan 8.270 nan 0.000 0.449 424 A N 1.975 124.828 122.820 0.055 0.000 3.837 424 A HA 0.650 4.970 4.320 -0.001 0.000 0.159 424 A C 0.443 178.081 177.584 0.090 0.000 1.157 424 A CA 0.109 52.177 52.037 0.052 0.000 0.890 424 A CB 0.393 19.387 19.000 -0.010 0.000 1.553 424 A HN 0.705 nan 8.150 nan 0.000 0.642 425 S N -1.037 114.689 115.700 0.043 0.000 2.470 425 S HA 0.189 4.659 4.470 -0.001 0.000 0.222 425 S C 0.856 175.439 174.600 -0.027 0.000 1.024 425 S CA 0.510 58.729 58.200 0.030 0.000 0.931 425 S CB -0.022 63.191 63.200 0.022 0.000 0.791 425 S HN 0.572 nan 8.310 nan 0.000 0.513 426 R N 0.427 120.887 120.500 -0.066 0.000 2.698 426 R HA 0.410 4.750 4.340 -0.001 0.000 0.275 426 R C 0.652 176.848 176.300 -0.174 0.000 1.001 426 R CA -0.725 55.305 56.100 -0.117 0.000 0.896 426 R CB 0.918 31.146 30.300 -0.120 0.000 1.218 426 R HN -0.028 nan 8.270 nan 0.000 0.462 427 R N 1.299 121.633 120.500 -0.276 0.000 2.073 427 R HA -0.005 4.334 4.340 -0.001 0.000 0.229 427 R C -0.500 175.579 176.300 -0.368 0.000 1.120 427 R CA 1.261 57.059 56.100 -0.503 0.000 0.967 427 R CB 0.149 29.991 30.300 -0.764 0.000 0.862 427 R HN 0.587 nan 8.270 nan 0.000 0.436 428 E N 1.026 121.131 120.200 -0.159 0.000 2.313 428 E HA 0.037 4.386 4.350 -0.001 0.000 0.272 428 E C -0.684 175.942 176.600 0.044 0.000 1.038 428 E CA -0.227 56.205 56.400 0.054 0.000 0.863 428 E CB 0.795 30.534 29.700 0.065 0.000 1.060 428 E HN 0.079 nan 8.360 nan 0.000 0.402 429 D N 1.854 122.315 120.400 0.102 0.000 2.916 429 D HA -0.230 4.410 4.640 -0.001 0.000 0.211 429 D C -1.180 175.120 176.300 0.001 0.000 1.260 429 D CA 0.946 54.980 54.000 0.056 0.000 0.711 429 D CB -0.560 40.282 40.800 0.070 0.000 0.915 429 D HN 0.341 nan 8.370 nan 0.000 0.391 430 D N 0.504 120.890 120.400 -0.023 0.000 2.581 430 D HA 0.453 5.092 4.640 -0.001 0.000 0.232 430 D C -0.120 176.138 176.300 -0.069 0.000 1.143 430 D CA -0.680 53.293 54.000 -0.045 0.000 0.881 430 D CB 1.185 41.955 40.800 -0.050 0.000 1.500 430 D HN 0.159 nan 8.370 nan 0.000 0.458 431 I N 1.615 122.150 120.570 -0.058 0.000 2.395 431 I HA 0.361 4.531 4.170 -0.001 0.000 0.289 431 I C 0.758 176.854 176.117 -0.035 0.000 1.023 431 I CA -0.698 60.562 61.300 -0.066 0.000 1.350 431 I CB 1.292 39.267 38.000 -0.043 0.000 1.409 431 I HN 0.406 nan 8.210 nan 0.000 0.507 432 A N 7.548 130.345 122.820 -0.038 0.000 2.540 432 A HA 0.085 4.405 4.320 -0.001 0.000 0.239 432 A C 1.222 178.817 177.584 0.019 0.000 1.061 432 A CA 0.016 52.054 52.037 0.003 0.000 0.758 432 A CB 0.283 19.289 19.000 0.009 0.000 0.991 432 A HN 0.773 nan 8.150 nan 0.000 0.502 433 K N 1.285 121.708 120.400 0.039 0.000 1.975 433 K HA 0.044 4.364 4.320 -0.001 0.000 0.210 433 K C 0.327 176.930 176.600 0.004 0.000 1.041 433 K CA 1.291 57.588 56.287 0.016 0.000 0.942 433 K CB -0.320 32.185 32.500 0.008 0.000 0.729 433 K HN 0.534 nan 8.250 nan 0.000 0.439 434 V N 0.847 120.783 119.914 0.036 0.000 2.680 434 V HA 0.318 4.438 4.120 -0.001 0.000 0.309 434 V C -0.210 176.082 176.094 0.330 0.000 1.052 434 V CA -0.710 61.684 62.300 0.157 0.000 0.908 434 V CB 1.871 33.732 31.823 0.063 0.000 1.001 434 V HN 0.322 nan 8.190 nan 0.000 0.431 435 T N 3.072 117.789 114.554 0.272 0.000 2.916 435 T HA 0.734 5.084 4.350 -0.001 0.000 0.305 435 T C -0.922 173.825 174.700 0.077 0.000 1.119 435 T CA -0.203 61.979 62.100 0.137 0.000 1.008 435 T CB 1.262 70.156 68.868 0.043 0.000 1.129 435 T HN 1.267 nan 8.240 nan 0.000 0.480 436 C N 1.032 120.265 119.300 -0.112 0.000 3.318 436 C HA 1.019 5.479 4.460 -0.001 0.000 0.322 436 C C -0.026 174.755 174.990 -0.347 0.000 1.398 436 C CA -0.486 58.367 59.018 -0.274 0.000 1.339 436 C CB 0.919 28.387 27.740 -0.454 0.000 1.668 436 C HN 1.214 nan 8.230 nan 0.000 0.462 437 G N 1.424 109.978 108.800 -0.410 0.000 2.683 437 G HA2 0.679 4.638 3.960 -0.001 0.000 0.299 437 G HA3 0.679 4.638 3.960 -0.001 0.000 0.299 437 G C -1.169 173.307 174.900 -0.706 0.000 1.432 437 G CA -0.565 44.270 45.100 -0.442 0.000 0.978 437 G HN 0.847 nan 8.290 nan 0.000 0.513 438 M N 2.221 121.099 119.600 -1.204 0.000 2.259 438 M HA 0.535 5.015 4.480 -0.001 0.000 0.304 438 M C -0.378 175.102 176.300 -1.368 0.000 1.019 438 M CA -0.739 53.817 55.300 -1.240 0.000 0.922 438 M CB 3.272 34.910 32.600 -1.603 0.000 1.600 438 M HN 0.452 nan 8.290 nan 0.000 0.433 439 R N 2.134 122.282 120.500 -0.586 0.000 2.575 439 R HA 0.790 5.130 4.340 -0.001 0.000 0.293 439 R C -2.159 174.230 176.300 0.148 0.000 0.983 439 R CA -0.574 55.481 56.100 -0.074 0.000 0.887 439 R CB 2.431 32.832 30.300 0.168 0.000 1.184 439 R HN 0.651 nan 8.270 nan 0.000 0.445 440 V N 5.906 125.942 119.914 0.203 0.000 2.680 440 V HA 0.603 4.723 4.120 -0.001 0.000 0.309 440 V C -1.592 174.307 176.094 -0.325 0.000 1.052 440 V CA -0.894 61.334 62.300 -0.119 0.000 0.908 440 V CB 1.891 33.451 31.823 -0.439 0.000 1.001 440 V HN 0.699 nan 8.190 nan 0.000 0.431 441 L N 6.859 127.846 121.223 -0.394 0.000 2.349 441 L HA 0.689 5.029 4.340 -0.001 0.000 0.278 441 L C -1.215 175.400 176.870 -0.424 0.000 0.996 441 L CA 0.039 54.669 54.840 -0.349 0.000 0.825 441 L CB 1.465 43.423 42.059 -0.168 0.000 1.243 441 L HN 0.573 nan 8.230 nan 0.000 0.412 442 F N 2.736 122.613 119.950 -0.122 0.000 2.399 442 F HA 0.488 5.014 4.527 -0.001 0.000 0.328 442 F C 0.698 176.457 175.800 -0.068 0.000 1.084 442 F CA -0.643 57.310 58.000 -0.077 0.000 1.053 442 F CB 0.956 39.921 39.000 -0.059 0.000 1.209 442 F HN 0.414 nan 8.300 nan 0.000 0.502 443 Q N 2.021 121.906 119.800 0.142 0.000 2.354 443 Q HA 0.029 4.368 4.340 -0.001 0.000 0.310 443 Q C -2.278 173.770 176.000 0.080 0.000 1.104 443 Q CA -1.342 54.505 55.803 0.072 0.000 0.968 443 Q CB -0.220 28.546 28.738 0.046 0.000 1.251 443 Q HN 0.208 nan 8.270 nan 0.000 0.411 444 P HA -0.099 nan 4.420 nan 0.000 0.259 444 P C 0.477 177.801 177.300 0.040 0.000 1.163 444 P CA 1.241 64.361 63.100 0.033 0.000 0.760 444 P CB 0.116 31.828 31.700 0.020 0.000 0.762 445 G N 2.409 111.230 108.800 0.034 0.000 2.352 445 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.295 445 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.295 445 G C 0.415 175.329 174.900 0.022 0.000 0.991 445 G CA 0.752 45.868 45.100 0.026 0.000 0.796 445 G HN 0.755 nan 8.290 nan 0.000 0.511 446 S N -1.909 113.810 115.700 0.032 0.000 2.786 446 S HA 0.796 5.266 4.470 -0.001 0.000 0.307 446 S C 0.868 175.391 174.600 -0.129 0.000 1.121 446 S CA -0.568 57.653 58.200 0.035 0.000 0.975 446 S CB 1.558 64.823 63.200 0.107 0.000 1.220 446 S HN 0.114 nan 8.310 nan 0.000 0.550 447 M N 0.332 119.893 119.600 -0.065 0.000 2.484 447 M HA 0.283 4.763 4.480 -0.001 0.000 0.307 447 M C 0.238 176.629 176.300 0.151 0.000 1.149 447 M CA 0.023 55.188 55.300 -0.224 0.000 0.972 447 M CB 0.423 33.081 32.600 0.097 0.000 1.400 447 M HN 0.700 nan 8.290 nan 0.000 0.508 448 Q N 1.935 121.778 119.800 0.073 0.000 2.303 448 Q HA 0.345 4.685 4.340 -0.001 0.000 0.257 448 Q C -0.893 175.205 176.000 0.164 0.000 0.941 448 Q CA -0.362 55.298 55.803 -0.240 0.000 0.931 448 Q CB 1.732 29.996 28.738 -0.790 0.000 1.215 448 Q HN 0.077 nan 8.270 nan 0.000 0.437 449 V N 5.744 125.746 119.914 0.146 0.000 2.446 449 V HA -0.018 4.102 4.120 -0.001 0.000 0.276 449 V C 1.110 177.199 176.094 -0.008 0.000 1.030 449 V CA 0.503 62.844 62.300 0.070 0.000 1.033 449 V CB 0.918 32.843 31.823 0.171 0.000 0.993 449 V HN 0.858 nan 8.190 nan 0.000 0.477 450 K N 3.677 124.046 120.400 -0.051 0.000 2.141 450 K HA 0.181 4.501 4.320 -0.001 0.000 0.202 450 K C 0.352 176.933 176.600 -0.032 0.000 1.045 450 K CA 0.615 56.882 56.287 -0.034 0.000 0.971 450 K CB 0.497 32.978 32.500 -0.032 0.000 0.795 450 K HN 0.802 nan 8.250 nan 0.000 0.459 451 E N 0.445 120.607 120.200 -0.064 0.000 2.317 451 E HA 0.380 4.729 4.350 -0.001 0.000 0.270 451 E C -1.764 174.823 176.600 -0.022 0.000 0.885 451 E CA -0.814 55.569 56.400 -0.028 0.000 0.760 451 E CB 2.468 32.156 29.700 -0.021 0.000 1.227 451 E HN -0.040 nan 8.360 nan 0.000 0.434 452 L N 1.374 122.625 121.223 0.048 0.000 2.493 452 L HA 0.778 5.118 4.340 -0.001 0.000 0.265 452 L C -1.978 174.954 176.870 0.103 0.000 0.954 452 L CA -0.342 54.571 54.840 0.122 0.000 0.844 452 L CB 2.033 44.221 42.059 0.215 0.000 1.302 452 L HN 0.685 nan 8.230 nan 0.000 0.405 453 A N 5.828 128.701 122.820 0.088 0.000 2.442 453 A HA 0.767 5.087 4.320 -0.001 0.000 0.284 453 A C -1.854 175.713 177.584 -0.029 0.000 1.058 453 A CA -0.347 51.714 52.037 0.040 0.000 0.738 453 A CB 1.007 20.032 19.000 0.041 0.000 1.242 453 A HN 0.616 nan 8.150 nan 0.000 0.421 454 L N 2.199 123.418 121.223 -0.007 0.000 2.345 454 L HA 0.454 4.793 4.340 -0.001 0.000 0.274 454 L C -0.970 175.835 176.870 -0.108 0.000 0.999 454 L CA -0.443 54.343 54.840 -0.089 0.000 0.849 454 L CB 1.460 43.581 42.059 0.103 0.000 1.220 454 L HN 0.686 nan 8.230 nan 0.000 0.422 455 C N 2.714 121.842 119.300 -0.287 0.000 2.345 455 C HA 0.650 5.110 4.460 -0.001 0.000 0.323 455 C C -0.432 174.388 174.990 -0.284 0.000 1.276 455 C CA -0.845 58.093 59.018 -0.133 0.000 1.543 455 C CB 0.596 28.316 27.740 -0.034 0.000 2.211 455 C HN 0.514 nan 8.230 nan 0.000 0.493 456 Y N 0.869 121.190 120.300 0.036 0.000 2.446 456 Y HA 0.645 5.194 4.550 -0.001 0.000 0.345 456 Y C 0.742 176.651 175.900 0.016 0.000 0.984 456 Y CA -0.168 57.955 58.100 0.037 0.000 1.058 456 Y CB 1.609 40.099 38.460 0.051 0.000 1.220 456 Y HN 0.821 nan 8.280 nan 0.000 0.455 457 G N -0.342 108.556 108.800 0.164 0.000 2.461 457 G HA2 0.460 4.420 3.960 -0.001 0.000 0.329 457 G HA3 0.460 4.420 3.960 -0.001 0.000 0.329 457 G C 0.639 175.600 174.900 0.102 0.000 1.170 457 G CA -0.429 44.721 45.100 0.083 0.000 0.935 457 G HN 1.266 nan 8.290 nan 0.000 0.492 458 G N -0.260 108.569 108.800 0.049 0.000 2.179 458 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.260 458 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.260 458 G C 0.981 175.884 174.900 0.005 0.000 0.977 458 G CA 0.863 45.979 45.100 0.027 0.000 0.641 458 G HN 0.503 nan 8.290 nan 0.000 0.533 459 M N -0.147 119.462 119.600 0.015 0.000 2.313 459 M HA 0.665 5.145 4.480 -0.001 0.000 0.273 459 M C 0.890 177.182 176.300 -0.012 0.000 1.049 459 M CA 0.793 56.077 55.300 -0.027 0.000 1.004 459 M CB 0.059 32.615 32.600 -0.073 0.000 1.461 459 M HN 1.201 nan 8.290 nan 0.000 0.514 460 A N 0.550 123.379 122.820 0.015 0.000 2.457 460 A HA 0.459 4.779 4.320 -0.001 0.000 0.305 460 A C -0.842 176.774 177.584 0.053 0.000 1.110 460 A CA -0.270 51.783 52.037 0.027 0.000 0.616 460 A CB -0.014 19.012 19.000 0.042 0.000 1.371 460 A HN 0.230 nan 8.150 nan 0.000 0.525 461 D N -0.164 120.285 120.400 0.082 0.000 2.325 461 D HA 0.221 4.861 4.640 -0.001 0.000 0.234 461 D C 0.439 176.858 176.300 0.198 0.000 1.122 461 D CA 0.283 54.386 54.000 0.171 0.000 0.850 461 D CB -0.259 40.637 40.800 0.160 0.000 0.921 461 D HN 0.713 nan 8.370 nan 0.000 0.513 462 R N -2.840 117.720 120.500 0.100 0.000 2.733 462 R HA 0.473 4.813 4.340 -0.001 0.000 0.272 462 R C -1.139 175.161 176.300 -0.001 0.000 1.029 462 R CA -0.922 55.198 56.100 0.033 0.000 0.888 462 R CB -0.194 30.165 30.300 0.100 0.000 1.251 462 R HN -0.227 nan 8.270 nan 0.000 0.464 463 T N 2.524 117.007 114.554 -0.119 0.000 2.853 463 T HA 0.307 4.657 4.350 -0.001 0.000 0.298 463 T C 0.494 175.263 174.700 0.114 0.000 0.978 463 T CA -0.074 61.998 62.100 -0.047 0.000 1.152 463 T CB -0.278 68.481 68.868 -0.183 0.000 0.914 463 T HN 0.430 nan 8.240 nan 0.000 0.539 464 I N -0.364 120.294 120.570 0.146 0.000 2.846 464 I HA 0.812 4.981 4.170 -0.001 0.000 0.307 464 I C -0.109 176.124 176.117 0.194 0.000 1.053 464 I CA -1.021 60.386 61.300 0.179 0.000 1.050 464 I CB 2.317 40.400 38.000 0.138 0.000 1.239 464 I HN 0.442 nan 8.210 nan 0.000 0.439 465 S N 2.839 118.641 115.700 0.170 0.000 2.472 465 S HA 0.702 5.171 4.470 -0.001 0.000 0.303 465 S C 0.196 174.856 174.600 0.099 0.000 1.099 465 S CA -0.524 57.757 58.200 0.134 0.000 1.077 465 S CB 1.427 64.687 63.200 0.100 0.000 1.031 465 S HN 0.931 nan 8.310 nan 0.000 0.487 466 A N 6.178 129.080 122.820 0.136 0.000 3.048 466 A HA 0.295 4.614 4.320 -0.001 0.000 0.264 466 A C 1.297 178.895 177.584 0.024 0.000 1.796 466 A CA -0.232 51.852 52.037 0.078 0.000 1.445 466 A CB -1.009 18.058 19.000 0.112 0.000 1.074 466 A HN 0.958 nan 8.150 nan 0.000 0.621 467 L N 0.283 121.493 121.223 -0.021 0.000 2.042 467 L HA -0.211 4.129 4.340 -0.001 0.000 0.210 467 L C 2.675 179.525 176.870 -0.033 0.000 1.076 467 L CA 2.010 56.819 54.840 -0.053 0.000 0.749 467 L CB -0.307 41.664 42.059 -0.146 0.000 0.893 467 L HN 0.775 nan 8.230 nan 0.000 0.432 468 K N -0.422 119.958 120.400 -0.033 0.000 2.217 468 K HA -0.123 4.196 4.320 -0.001 0.000 0.202 468 K C 1.847 178.434 176.600 -0.022 0.000 1.051 468 K CA 1.541 57.812 56.287 -0.025 0.000 0.952 468 K CB 0.061 32.547 32.500 -0.024 0.000 0.736 468 K HN 0.182 nan 8.250 nan 0.000 0.453 469 T N 0.524 115.063 114.554 -0.025 0.000 2.809 469 T HA -0.107 4.242 4.350 -0.001 0.000 0.260 469 T C 1.916 176.600 174.700 -0.028 0.000 1.039 469 T CA 1.907 63.982 62.100 -0.041 0.000 1.141 469 T CB -0.328 68.502 68.868 -0.063 0.000 0.869 469 T HN 0.579 nan 8.240 nan 0.000 0.437 470 T N 0.454 115.006 114.554 -0.002 0.000 2.857 470 T HA -0.082 4.267 4.350 -0.001 0.000 0.266 470 T C 1.996 176.717 174.700 0.036 0.000 1.048 470 T CA 1.069 63.188 62.100 0.031 0.000 1.139 470 T CB -0.400 68.505 68.868 0.062 0.000 0.874 470 T HN 0.274 nan 8.240 nan 0.000 0.455 471 Q N 1.141 120.952 119.800 0.018 0.000 2.096 471 Q HA -0.072 4.268 4.340 -0.001 0.000 0.204 471 Q C 2.151 178.165 176.000 0.023 0.000 0.982 471 Q CA 1.422 57.236 55.803 0.019 0.000 0.850 471 Q CB -0.220 28.522 28.738 0.007 0.000 0.901 471 Q HN 0.556 nan 8.270 nan 0.000 0.422 472 K N -0.322 120.087 120.400 0.015 0.000 2.520 472 K HA -0.140 4.180 4.320 -0.001 0.000 0.197 472 K C 1.377 177.998 176.600 0.035 0.000 1.043 472 K CA 0.698 56.995 56.287 0.018 0.000 0.944 472 K CB 0.233 32.735 32.500 0.003 0.000 0.770 472 K HN 0.171 nan 8.250 nan 0.000 0.480 473 Q N -0.044 119.786 119.800 0.050 0.000 2.247 473 Q HA 0.173 4.513 4.340 -0.001 0.000 0.211 473 Q C 0.132 176.190 176.000 0.096 0.000 0.861 473 Q CA 0.077 55.930 55.803 0.084 0.000 0.949 473 Q CB 0.550 29.354 28.738 0.110 0.000 1.115 473 Q HN 0.286 nan 8.270 nan 0.000 0.507 474 L N 0.936 122.200 121.223 0.067 0.000 2.499 474 L HA -0.033 4.307 4.340 -0.001 0.000 0.273 474 L C 0.982 177.872 176.870 0.033 0.000 1.195 474 L CA 0.337 55.206 54.840 0.047 0.000 0.882 474 L CB 0.188 42.267 42.059 0.034 0.000 1.133 474 L HN 0.210 nan 8.230 nan 0.000 0.483 475 S N -0.146 115.555 115.700 0.002 0.000 2.361 475 S HA -0.165 4.305 4.470 -0.001 0.000 0.247 475 S C 0.522 175.074 174.600 -0.079 0.000 1.218 475 S CA 1.259 59.433 58.200 -0.044 0.000 1.502 475 S CB -0.663 62.541 63.200 0.006 0.000 1.893 475 S HN 0.645 nan 8.310 nan 0.000 0.610 476 K N 0.630 121.045 120.400 0.026 0.000 2.138 476 K HA 0.643 4.963 4.320 -0.001 0.000 0.251 476 K C -0.023 176.638 176.600 0.101 0.000 1.015 476 K CA 0.099 56.461 56.287 0.125 0.000 0.917 476 K CB 0.123 32.723 32.500 0.168 0.000 1.021 476 K HN 0.159 nan 8.250 nan 0.000 0.485 477 F N -0.087 120.007 119.950 0.241 0.000 2.440 477 F HA 0.257 4.784 4.527 -0.000 0.000 0.328 477 F C 0.410 176.458 175.800 0.412 0.000 1.070 477 F CA -0.568 57.617 58.000 0.309 0.000 1.011 477 F CB 0.778 39.900 39.000 0.203 0.000 1.226 477 F HN 0.353 nan 8.300 nan 0.000 0.491 478 W N 5.449 127.002 121.300 0.422 0.000 2.510 478 W HA 0.121 4.780 4.660 -0.000 0.000 0.388 478 W C -0.841 175.896 176.519 0.363 0.000 1.092 478 W CA -0.142 57.443 57.345 0.401 0.000 1.562 478 W CB -0.125 29.501 29.460 0.277 0.000 1.603 478 W HN 0.718 nan 8.180 nan 0.000 0.396 479 N N 0.554 119.459 118.700 0.342 0.000 3.229 479 N HA 0.129 4.869 4.740 -0.001 0.000 0.315 479 N C 0.465 176.079 175.510 0.174 0.000 1.520 479 N CA -0.572 52.648 53.050 0.284 0.000 0.769 479 N CB 0.356 38.966 38.487 0.205 0.000 1.766 479 N HN 0.044 nan 8.380 nan 0.000 0.618 480 E N -0.086 120.196 120.200 0.136 0.000 2.110 480 E HA -0.167 4.182 4.350 -0.001 0.000 0.193 480 E C 1.400 177.973 176.600 -0.044 0.000 0.988 480 E CA 1.547 57.962 56.400 0.025 0.000 0.804 480 E CB 0.004 29.747 29.700 0.071 0.000 0.745 480 E HN 0.580 nan 8.360 nan 0.000 0.458 481 K N 0.170 120.573 120.400 0.005 0.000 2.097 481 K HA -0.061 4.259 4.320 -0.001 0.000 0.205 481 K C 2.125 178.703 176.600 -0.035 0.000 1.050 481 K CA 1.203 57.484 56.287 -0.009 0.000 0.938 481 K CB -0.435 32.078 32.500 0.021 0.000 0.718 481 K HN 0.311 nan 8.250 nan 0.000 0.442 482 L N 0.365 121.571 121.223 -0.028 0.000 2.083 482 L HA -0.087 4.253 4.340 -0.001 0.000 0.209 482 L C 2.065 178.832 176.870 -0.172 0.000 1.083 482 L CA 1.081 55.880 54.840 -0.067 0.000 0.752 482 L CB -0.324 41.716 42.059 -0.032 0.000 0.899 482 L HN 0.323 nan 8.230 nan 0.000 0.433 483 L N -0.104 120.937 121.223 -0.305 0.000 2.046 483 L HA -0.253 4.086 4.340 -0.001 0.000 0.208 483 L C 2.439 179.225 176.870 -0.141 0.000 1.077 483 L CA 1.871 56.508 54.840 -0.337 0.000 0.747 483 L CB -0.563 41.047 42.059 -0.748 0.000 0.896 483 L HN 0.365 nan 8.230 nan 0.000 0.432 484 Q N -0.794 118.926 119.800 -0.133 0.000 2.119 484 Q HA -0.173 4.167 4.340 -0.001 0.000 0.201 484 Q C 1.775 177.719 176.000 -0.092 0.000 0.972 484 Q CA 1.569 57.312 55.803 -0.099 0.000 0.847 484 Q CB -0.073 28.615 28.738 -0.084 0.000 0.903 484 Q HN 0.553 nan 8.270 nan 0.000 0.433 485 D N -0.260 120.083 120.400 -0.095 0.000 2.103 485 D HA -0.105 4.535 4.640 -0.001 0.000 0.199 485 D C 1.979 178.201 176.300 -0.131 0.000 0.978 485 D CA 0.827 54.773 54.000 -0.089 0.000 0.829 485 D CB -0.136 40.628 40.800 -0.059 0.000 0.981 485 D HN 0.020 nan 8.370 nan 0.000 0.464 486 V N 0.748 120.534 119.914 -0.214 0.000 2.287 486 V HA -0.294 3.826 4.120 -0.001 0.000 0.248 486 V C 2.732 178.660 176.094 -0.278 0.000 1.053 486 V CA 1.360 63.439 62.300 -0.368 0.000 1.027 486 V CB -0.643 30.658 31.823 -0.870 0.000 0.646 486 V HN 0.284 nan 8.190 nan 0.000 0.447 487 C N 0.239 119.435 119.300 -0.173 0.000 2.393 487 C HA -0.186 4.274 4.460 -0.001 0.000 0.276 487 C C 3.138 178.085 174.990 -0.073 0.000 1.215 487 C CA 1.051 60.034 59.018 -0.058 0.000 1.743 487 C CB -1.423 26.337 27.740 0.033 0.000 2.044 487 C HN 0.652 nan 8.230 nan 0.000 0.464 488 A N 0.496 123.268 122.820 -0.079 0.000 1.908 488 A HA -0.009 4.311 4.320 -0.001 0.000 0.218 488 A C 2.387 179.929 177.584 -0.071 0.000 1.181 488 A CA 2.301 54.297 52.037 -0.068 0.000 0.627 488 A CB -1.261 17.701 19.000 -0.062 0.000 0.818 488 A HN 0.596 nan 8.150 nan 0.000 0.445 489 G N -0.377 108.371 108.800 -0.087 0.000 2.402 489 G HA2 -0.113 3.847 3.960 -0.001 0.000 0.216 489 G HA3 -0.113 3.847 3.960 -0.001 0.000 0.216 489 G C 1.563 176.412 174.900 -0.085 0.000 1.162 489 G CA 0.940 45.991 45.100 -0.081 0.000 0.777 489 G HN 0.427 nan 8.290 nan 0.000 0.539 490 L N 0.799 121.958 121.223 -0.106 0.000 2.042 490 L HA -0.108 4.232 4.340 -0.001 0.000 0.210 490 L C 3.442 180.248 176.870 -0.106 0.000 1.076 490 L CA 1.072 55.846 54.840 -0.110 0.000 0.749 490 L CB -0.477 41.515 42.059 -0.111 0.000 0.893 490 L HN 0.304 nan 8.230 nan 0.000 0.432 491 A N 0.140 122.910 122.820 -0.084 0.000 1.917 491 A HA -0.303 4.017 4.320 -0.001 0.000 0.219 491 A C 2.284 179.828 177.584 -0.067 0.000 1.182 491 A CA 2.288 54.282 52.037 -0.073 0.000 0.633 491 A CB -0.566 18.401 19.000 -0.055 0.000 0.819 491 A HN 0.581 nan 8.150 nan 0.000 0.448 492 E N -0.761 119.404 120.200 -0.059 0.000 2.086 492 E HA -0.160 4.189 4.350 -0.001 0.000 0.190 492 E C 2.009 178.579 176.600 -0.049 0.000 0.975 492 E CA 1.025 57.396 56.400 -0.048 0.000 0.813 492 E CB -0.241 29.435 29.700 -0.040 0.000 0.768 492 E HN 0.711 nan 8.360 nan 0.000 0.457 493 E N 0.243 120.409 120.200 -0.056 0.000 2.107 493 E HA -0.050 4.300 4.350 -0.001 0.000 0.191 493 E C 0.845 177.409 176.600 -0.061 0.000 0.982 493 E CA 0.519 56.889 56.400 -0.049 0.000 0.809 493 E CB 0.170 29.843 29.700 -0.044 0.000 0.756 493 E HN 0.303 nan 8.360 nan 0.000 0.459 494 L N 2.558 123.724 121.223 -0.095 0.000 2.990 494 L HA 0.211 4.551 4.340 -0.001 0.000 0.231 494 L C 0.222 177.030 176.870 -0.104 0.000 1.341 494 L CA -0.673 54.095 54.840 -0.121 0.000 1.208 494 L CB 0.146 42.071 42.059 -0.223 0.000 1.571 494 L HN 0.026 nan 8.230 nan 0.000 0.453 495 S N 0.751 116.409 115.700 -0.070 0.000 2.585 495 S HA 0.631 5.101 4.470 -0.001 0.000 0.273 495 S C -0.350 174.219 174.600 -0.052 0.000 1.339 495 S CA -0.469 57.697 58.200 -0.056 0.000 1.028 495 S CB 1.490 64.667 63.200 -0.040 0.000 0.906 495 S HN 0.324 nan 8.310 nan 0.000 0.528 496 L N 2.112 123.308 121.223 -0.046 0.000 2.408 496 L HA 0.454 4.793 4.340 -0.001 0.000 0.268 496 L C 0.072 176.924 176.870 -0.028 0.000 0.986 496 L CA -0.818 53.999 54.840 -0.039 0.000 0.820 496 L CB 2.492 44.523 42.059 -0.045 0.000 1.303 496 L HN 0.915 nan 8.230 nan 0.000 0.411 497 S N 1.119 116.805 115.700 -0.023 0.000 2.592 497 S HA 0.278 4.748 4.470 -0.001 0.000 0.271 497 S C -1.974 172.617 174.600 -0.016 0.000 1.326 497 S CA -1.160 57.030 58.200 -0.017 0.000 1.024 497 S CB 0.845 64.036 63.200 -0.014 0.000 0.921 497 S HN 0.432 nan 8.310 nan 0.000 0.527 498 P HA -0.182 nan 4.420 nan 0.000 0.218 498 P C 0.788 178.084 177.300 -0.007 0.000 1.147 498 P CA 1.552 64.649 63.100 -0.006 0.000 0.827 498 P CB -0.109 31.590 31.700 -0.002 0.000 0.778 499 D N -1.697 118.697 120.400 -0.009 0.000 2.325 499 D HA 0.093 4.732 4.640 -0.001 0.000 0.225 499 D C 0.334 176.622 176.300 -0.021 0.000 1.096 499 D CA -0.266 53.728 54.000 -0.010 0.000 0.844 499 D CB -0.666 40.130 40.800 -0.006 0.000 0.925 499 D HN -0.013 nan 8.370 nan 0.000 0.513 500 A N 1.620 124.425 122.820 -0.026 0.000 2.546 500 A HA 0.304 4.624 4.320 -0.001 0.000 0.243 500 A C -2.117 175.436 177.584 -0.051 0.000 1.063 500 A CA -0.777 51.238 52.037 -0.036 0.000 0.757 500 A CB -0.348 18.631 19.000 -0.036 0.000 0.991 500 A HN 0.079 nan 8.150 nan 0.000 0.503 501 P HA 0.258 nan 4.420 nan 0.000 0.264 501 P C 1.119 178.359 177.300 -0.101 0.000 1.183 501 P CA 1.776 64.824 63.100 -0.087 0.000 0.763 501 P CB 0.620 32.270 31.700 -0.083 0.000 0.807 502 G N 1.896 110.603 108.800 -0.156 0.000 2.234 502 G HA2 -0.053 3.907 3.960 -0.001 0.000 0.235 502 G HA3 -0.053 3.907 3.960 -0.001 0.000 0.235 502 G C 0.724 175.535 174.900 -0.148 0.000 0.997 502 G CA 0.205 45.206 45.100 -0.165 0.000 0.623 502 G HN 0.978 nan 8.290 nan 0.000 0.514 503 G N 0.231 108.969 108.800 -0.103 0.000 2.578 503 G HA2 -0.035 3.924 3.960 -0.001 0.000 0.284 503 G HA3 -0.035 3.924 3.960 -0.001 0.000 0.284 503 G C 0.781 175.663 174.900 -0.029 0.000 1.283 503 G CA 1.038 46.099 45.100 -0.065 0.000 0.944 503 G HN 1.845 nan 8.290 nan 0.000 0.558 504 M N -1.876 117.727 119.600 0.004 0.000 2.253 504 M HA -0.198 4.281 4.480 -0.001 0.000 0.195 504 M C 1.201 177.550 176.300 0.082 0.000 0.512 504 M CA 0.654 56.002 55.300 0.080 0.000 0.442 504 M CB -1.589 31.103 32.600 0.154 0.000 1.189 504 M HN 0.490 nan 8.290 nan 0.000 0.923 505 I N 0.431 121.024 120.570 0.039 0.000 2.193 505 I HA -0.188 3.982 4.170 -0.001 0.000 0.240 505 I C 2.248 178.376 176.117 0.018 0.000 1.084 505 I CA 2.027 63.334 61.300 0.011 0.000 1.365 505 I CB -0.212 37.787 38.000 -0.002 0.000 1.064 505 I HN 0.397 nan 8.210 nan 0.000 0.410 506 E N -0.283 119.944 120.200 0.044 0.000 2.058 506 E HA -0.267 4.083 4.350 -0.001 0.000 0.194 506 E C 2.185 178.845 176.600 0.100 0.000 0.997 506 E CA 1.407 57.837 56.400 0.051 0.000 0.801 506 E CB -0.385 29.347 29.700 0.053 0.000 0.746 506 E HN 0.357 nan 8.360 nan 0.000 0.450 507 F N 2.267 122.188 119.950 -0.048 0.000 2.065 507 F HA -0.200 4.327 4.527 -0.001 0.000 0.298 507 F C 2.162 177.899 175.800 -0.105 0.000 1.112 507 F CA 1.643 59.604 58.000 -0.064 0.000 1.212 507 F CB -0.248 38.724 39.000 -0.047 0.000 0.975 507 F HN -0.180 nan 8.300 nan 0.000 0.476 508 R N -0.227 120.173 120.500 -0.167 0.000 2.096 508 R HA -0.131 4.209 4.340 -0.001 0.000 0.235 508 R C 2.361 178.488 176.300 -0.287 0.000 1.127 508 R CA 1.569 57.472 56.100 -0.328 0.000 0.968 508 R CB -0.340 29.853 30.300 -0.179 0.000 0.861 508 R HN 0.292 nan 8.270 nan 0.000 0.440 509 R N -0.434 119.959 120.500 -0.178 0.000 2.073 509 R HA -0.028 4.312 4.340 -0.001 0.000 0.229 509 R C 2.277 178.469 176.300 -0.181 0.000 1.120 509 R CA 1.571 57.569 56.100 -0.171 0.000 0.967 509 R CB -0.318 29.918 30.300 -0.106 0.000 0.862 509 R HN 0.125 nan 8.270 nan 0.000 0.436 510 T N 1.442 115.910 114.554 -0.144 0.000 2.737 510 T HA -0.135 4.215 4.350 -0.001 0.000 0.269 510 T C 1.719 176.244 174.700 -0.291 0.000 1.040 510 T CA 1.138 63.160 62.100 -0.131 0.000 1.142 510 T CB -0.113 68.740 68.868 -0.025 0.000 0.861 510 T HN 0.138 nan 8.240 nan 0.000 0.456 511 L N 0.987 121.920 121.223 -0.484 0.000 2.109 511 L HA -0.086 4.253 4.340 -0.001 0.000 0.207 511 L C 3.102 179.551 176.870 -0.701 0.000 1.086 511 L CA 1.580 55.924 54.840 -0.827 0.000 0.760 511 L CB -1.017 40.383 42.059 -1.099 0.000 0.910 511 L HN 0.462 nan 8.230 nan 0.000 0.437 512 T N -1.933 112.380 114.554 -0.403 0.000 2.746 512 T HA -0.176 4.173 4.350 -0.001 0.000 0.267 512 T C 1.825 176.519 174.700 -0.010 0.000 1.039 512 T CA 0.939 62.919 62.100 -0.200 0.000 1.142 512 T CB -0.432 68.106 68.868 -0.551 0.000 0.866 512 T HN 0.045 nan 8.240 nan 0.000 0.444 513 L N 1.659 122.825 121.223 -0.095 0.000 1.994 513 L HA -0.010 4.329 4.340 -0.001 0.000 0.208 513 L C 3.182 179.960 176.870 -0.154 0.000 1.071 513 L CA 1.769 56.603 54.840 -0.010 0.000 0.745 513 L CB -1.005 41.079 42.059 0.042 0.000 0.892 513 L HN 0.270 nan 8.230 nan 0.000 0.431 514 S N -0.859 114.592 115.700 -0.415 0.000 2.370 514 S HA -0.186 4.284 4.470 -0.001 0.000 0.226 514 S C 1.969 176.400 174.600 -0.280 0.000 1.033 514 S CA 1.492 59.347 58.200 -0.575 0.000 1.011 514 S CB -0.600 62.279 63.200 -0.534 0.000 0.852 514 S HN 0.315 nan 8.310 nan 0.000 0.457 515 F N 0.097 119.904 119.950 -0.238 0.000 2.134 515 F HA -0.135 4.392 4.527 -0.000 0.000 0.299 515 F C 2.199 177.949 175.800 -0.082 0.000 1.097 515 F CA 0.957 58.772 58.000 -0.309 0.000 1.264 515 F CB -0.316 38.680 39.000 -0.006 0.000 1.001 515 F HN 0.198 nan 8.300 nan 0.000 0.479 516 F N 0.215 120.310 119.950 0.242 0.000 2.186 516 F HA -0.239 4.288 4.527 -0.001 0.000 0.299 516 F C 2.134 178.135 175.800 0.334 0.000 1.090 516 F CA 1.021 59.224 58.000 0.338 0.000 1.307 516 F CB -0.747 38.433 39.000 0.299 0.000 1.019 516 F HN -0.052 nan 8.300 nan 0.000 0.489 517 F N 1.592 121.490 119.950 -0.086 0.000 2.161 517 F HA -0.183 4.344 4.527 -0.001 0.000 0.300 517 F C 2.236 177.928 175.800 -0.180 0.000 1.089 517 F CA 1.857 59.738 58.000 -0.198 0.000 1.282 517 F CB -0.683 37.976 39.000 -0.568 0.000 1.010 517 F HN -0.108 nan 8.300 nan 0.000 0.485 518 K N -1.032 119.171 120.400 -0.328 0.000 2.057 518 K HA -0.200 4.120 4.320 -0.001 0.000 0.207 518 K C 2.121 178.678 176.600 -0.072 0.000 1.049 518 K CA 1.640 57.698 56.287 -0.381 0.000 0.931 518 K CB -0.637 31.502 32.500 -0.603 0.000 0.714 518 K HN 0.337 nan 8.250 nan 0.000 0.440 519 F N 0.625 120.527 119.950 -0.081 0.000 2.206 519 F HA -0.184 4.343 4.527 -0.001 0.000 0.298 519 F C 2.135 177.935 175.800 -0.000 0.000 1.090 519 F CA 0.893 58.939 58.000 0.077 0.000 1.323 519 F CB -0.590 38.461 39.000 0.085 0.000 1.028 519 F HN 0.020 nan 8.300 nan 0.000 0.492 520 Y N 0.798 120.907 120.300 -0.319 0.000 2.145 520 Y HA -0.200 4.349 4.550 -0.001 0.000 0.286 520 Y C 1.985 177.879 175.900 -0.011 0.000 1.145 520 Y CA 2.158 60.148 58.100 -0.183 0.000 1.148 520 Y CB -0.616 37.609 38.460 -0.392 0.000 0.981 520 Y HN 0.114 nan 8.280 nan 0.000 0.507 521 L N -1.154 119.903 121.223 -0.278 0.000 2.109 521 L HA -0.174 4.165 4.340 -0.001 0.000 0.207 521 L C 2.287 179.012 176.870 -0.241 0.000 1.086 521 L CA 1.623 56.283 54.840 -0.301 0.000 0.760 521 L CB -0.861 41.005 42.059 -0.322 0.000 0.910 521 L HN 0.150 nan 8.230 nan 0.000 0.437 522 T N -0.675 113.763 114.554 -0.194 0.000 2.821 522 T HA -0.104 4.245 4.350 -0.001 0.000 0.267 522 T C 1.989 176.514 174.700 -0.291 0.000 1.046 522 T CA 1.002 63.011 62.100 -0.150 0.000 1.139 522 T CB -0.015 68.850 68.868 -0.005 0.000 0.871 522 T HN 0.047 nan 8.240 nan 0.000 0.454 523 V N 1.311 120.978 119.914 -0.412 0.000 2.453 523 V HA -0.021 4.099 4.120 -0.001 0.000 0.247 523 V C 2.429 178.187 176.094 -0.559 0.000 1.048 523 V CA 1.071 62.999 62.300 -0.619 0.000 1.049 523 V CB -0.567 30.719 31.823 -0.895 0.000 0.672 523 V HN 0.431 nan 8.190 nan 0.000 0.457 524 L N -0.001 120.995 121.223 -0.379 0.000 2.012 524 L HA -0.279 4.061 4.340 -0.001 0.000 0.210 524 L C 2.603 179.318 176.870 -0.259 0.000 1.073 524 L CA 2.251 56.924 54.840 -0.278 0.000 0.748 524 L CB -0.594 41.326 42.059 -0.231 0.000 0.891 524 L HN 0.320 nan 8.230 nan 0.000 0.431 525 K N 0.549 120.808 120.400 -0.234 0.000 2.074 525 K HA -0.233 4.087 4.320 -0.001 0.000 0.209 525 K C 2.069 178.508 176.600 -0.269 0.000 1.048 525 K CA 1.681 57.849 56.287 -0.197 0.000 0.926 525 K CB 0.042 32.457 32.500 -0.142 0.000 0.713 525 K HN 0.194 nan 8.250 nan 0.000 0.444 526 K N 0.234 120.377 120.400 -0.427 0.000 2.148 526 K HA -0.056 4.263 4.320 -0.001 0.000 0.204 526 K C 1.629 177.865 176.600 -0.606 0.000 1.050 526 K CA 0.898 56.819 56.287 -0.611 0.000 0.942 526 K CB 0.008 31.873 32.500 -1.057 0.000 0.724 526 K HN 0.157 nan 8.250 nan 0.000 0.446 527 L N 0.732 121.622 121.223 -0.556 0.000 2.711 527 L HA 0.022 4.362 4.340 -0.001 0.000 0.242 527 L C 0.963 177.710 176.870 -0.205 0.000 1.153 527 L CA -0.346 54.284 54.840 -0.350 0.000 0.898 527 L CB -0.146 41.676 42.059 -0.394 0.000 1.044 527 L HN 0.141 nan 8.230 nan 0.000 0.437 538 L N 1.167 122.378 121.223 -0.021 0.000 2.436 538 L HA 0.219 4.559 4.340 -0.001 0.000 0.265 538 L C 0.903 177.765 176.870 -0.015 0.000 1.168 538 L CA -0.536 54.300 54.840 -0.007 0.000 0.815 538 L CB 0.369 42.455 42.059 0.046 0.000 1.109 538 L HN 0.561 nan 8.230 nan 0.000 0.462 539 D N 3.445 123.803 120.400 -0.069 0.000 2.586 539 D HA -0.055 4.585 4.640 -0.001 0.000 0.234 539 D C -1.612 174.710 176.300 0.037 0.000 1.132 539 D CA -0.920 53.035 54.000 -0.076 0.000 0.860 539 D CB 1.303 41.950 40.800 -0.256 0.000 1.159 539 D HN 0.272 nan 8.370 nan 0.000 0.490 540 P HA -0.083 nan 4.420 nan 0.000 0.233 540 P C 1.106 178.456 177.300 0.083 0.000 1.167 540 P CA 0.867 63.998 63.100 0.052 0.000 0.770 540 P CB -0.155 31.555 31.700 0.015 0.000 0.837 541 T N -5.503 109.123 114.554 0.120 0.000 3.085 541 T HA -0.072 4.277 4.350 -0.001 0.000 0.263 541 T C 1.286 176.181 174.700 0.325 0.000 1.127 541 T CA 0.689 62.873 62.100 0.140 0.000 1.103 541 T CB -0.853 68.078 68.868 0.105 0.000 0.921 541 T HN -0.040 nan 8.240 nan 0.000 0.510 542 Y N 1.689 122.073 120.300 0.140 0.000 2.478 542 Y HA 0.265 4.815 4.550 -0.001 0.000 0.261 542 Y C 2.655 178.670 175.900 0.192 0.000 1.127 542 Y CA -0.435 57.841 58.100 0.294 0.000 1.288 542 Y CB -0.480 38.168 38.460 0.312 0.000 1.084 542 Y HN 0.268 nan 8.280 nan 0.000 0.530 543 T N -0.762 113.936 114.554 0.239 0.000 2.720 543 T HA -0.209 4.141 4.350 -0.001 0.000 0.268 543 T C 2.077 176.850 174.700 0.122 0.000 1.037 543 T CA 1.820 64.002 62.100 0.138 0.000 1.144 543 T CB -0.543 68.375 68.868 0.083 0.000 0.864 543 T HN 0.454 nan 8.240 nan 0.000 0.444 544 S N 1.855 117.635 115.700 0.133 0.000 2.507 544 S HA 0.165 4.635 4.470 -0.001 0.000 0.235 544 S C 2.290 176.983 174.600 0.156 0.000 0.988 544 S CA 0.572 58.855 58.200 0.138 0.000 0.944 544 S CB -0.522 62.763 63.200 0.143 0.000 0.762 544 S HN 0.540 nan 8.310 nan 0.000 0.526 545 A N 2.185 125.103 122.820 0.162 0.000 2.015 545 A HA -0.030 4.290 4.320 -0.001 0.000 0.219 545 A C 2.465 180.054 177.584 0.008 0.000 1.163 545 A CA 1.816 53.897 52.037 0.073 0.000 0.646 545 A CB -1.348 17.605 19.000 -0.079 0.000 0.806 545 A HN 0.751 nan 8.150 nan 0.000 0.448 546 T N -2.290 112.284 114.554 0.034 0.000 3.081 546 T HA 0.299 4.649 4.350 -0.001 0.000 0.255 546 T C 0.612 175.376 174.700 0.107 0.000 1.113 546 T CA -0.151 61.978 62.100 0.048 0.000 1.082 546 T CB -0.500 68.379 68.868 0.018 0.000 0.939 546 T HN 0.225 nan 8.240 nan 0.000 0.506 547 L N 1.958 123.251 121.223 0.117 0.000 2.426 547 L HA 0.392 4.731 4.340 -0.001 0.000 0.271 547 L C 0.449 177.425 176.870 0.177 0.000 1.169 547 L CA -0.681 54.236 54.840 0.128 0.000 0.836 547 L CB 0.699 42.827 42.059 0.116 0.000 1.112 547 L HN 0.198 nan 8.230 nan 0.000 0.465 548 L N 2.090 123.423 121.223 0.183 0.000 2.439 548 L HA 0.232 4.572 4.340 -0.001 0.000 0.261 548 L C 0.095 177.132 176.870 0.279 0.000 1.153 548 L CA -0.427 54.564 54.840 0.251 0.000 0.808 548 L CB 0.547 42.740 42.059 0.224 0.000 1.126 548 L HN 0.375 nan 8.230 nan 0.000 0.460 549 F N 1.999 122.100 119.950 0.251 0.000 2.623 549 F HA 0.028 4.554 4.527 -0.001 0.000 0.383 549 F C 0.300 176.234 175.800 0.222 0.000 1.077 549 F CA 0.176 58.328 58.000 0.254 0.000 1.268 549 F CB 0.378 39.590 39.000 0.353 0.000 1.053 549 F HN 0.409 nan 8.300 nan 0.000 0.571 550 Q N 5.588 125.071 119.800 -0.528 0.000 2.309 550 Q HA 0.254 4.594 4.340 -0.001 0.000 0.270 550 Q C -1.268 174.448 176.000 -0.474 0.000 1.023 550 Q CA -0.825 54.809 55.803 -0.282 0.000 0.758 550 Q CB 1.166 29.854 28.738 -0.082 0.000 1.247 550 Q HN 0.416 nan 8.270 nan 0.000 0.455 551 K N 4.453 124.728 120.400 -0.209 0.000 2.237 551 K HA 0.075 4.395 4.320 -0.001 0.000 0.283 551 K C -0.396 176.105 176.600 -0.164 0.000 1.080 551 K CA -0.131 56.038 56.287 -0.197 0.000 0.965 551 K CB -0.195 32.329 32.500 0.040 0.000 1.098 551 K HN 0.745 nan 8.250 nan 0.000 0.434 552 H N 2.327 121.386 119.070 -0.018 0.000 2.790 552 H HA 0.197 4.753 4.556 -0.000 0.000 0.358 552 H C -2.194 173.167 175.328 0.055 0.000 1.103 552 H CA -1.981 54.075 56.048 0.015 0.000 1.426 552 H CB -0.545 29.216 29.762 -0.001 0.000 1.424 552 H HN 0.275 nan 8.280 nan 0.000 0.599 553 P HA 0.143 nan 4.420 nan 0.000 0.274 553 P C -2.429 174.955 177.300 0.140 0.000 1.231 553 P CA -1.403 61.767 63.100 0.118 0.000 0.790 553 P CB 0.034 31.798 31.700 0.107 0.000 0.951 554 P HA 0.277 nan 4.420 nan 0.000 0.271 554 P C -1.056 176.334 177.300 0.149 0.000 1.216 554 P CA -0.091 63.105 63.100 0.161 0.000 0.776 554 P CB 0.500 32.307 31.700 0.179 0.000 0.881 555 A N 2.948 125.861 122.820 0.154 0.000 2.476 555 A HA 0.511 4.831 4.320 -0.001 0.000 0.280 555 A C -1.027 176.639 177.584 0.136 0.000 1.081 555 A CA -0.658 51.455 52.037 0.127 0.000 0.753 555 A CB 0.653 19.715 19.000 0.103 0.000 1.248 555 A HN 0.530 nan 8.150 nan 0.000 0.424 556 N N 2.391 121.161 118.700 0.118 0.000 2.295 556 N HA 0.583 5.322 4.740 -0.001 0.000 0.293 556 N C -1.283 174.258 175.510 0.051 0.000 1.040 556 N CA -0.400 52.709 53.050 0.098 0.000 0.840 556 N CB 2.050 40.598 38.487 0.102 0.000 1.468 556 N HN 0.461 nan 8.380 nan 0.000 0.478 557 I N 1.840 122.425 120.570 0.026 0.000 2.498 557 I HA 0.274 4.443 4.170 -0.001 0.000 0.290 557 I C -0.597 175.516 176.117 -0.006 0.000 1.032 557 I CA -0.592 60.715 61.300 0.010 0.000 1.073 557 I CB 2.013 40.020 38.000 0.011 0.000 1.251 557 I HN 0.285 nan 8.210 nan 0.000 0.426 558 Q N 5.848 125.657 119.800 0.016 0.000 2.333 558 Q HA 0.699 5.038 4.340 -0.001 0.000 0.267 558 Q C -1.090 174.981 176.000 0.118 0.000 1.012 558 Q CA -0.245 55.588 55.803 0.051 0.000 0.824 558 Q CB 2.993 31.767 28.738 0.061 0.000 1.290 558 Q HN 0.487 nan 8.270 nan 0.000 0.449 559 L N 4.300 125.595 121.223 0.119 0.000 2.365 559 L HA 0.756 5.096 4.340 -0.001 0.000 0.273 559 L C -0.909 176.085 176.870 0.207 0.000 1.000 559 L CA -0.885 54.002 54.840 0.079 0.000 0.819 559 L CB 0.777 42.841 42.059 0.008 0.000 1.284 559 L HN 0.715 nan 8.230 nan 0.000 0.418 560 F N -0.139 119.789 119.950 -0.037 0.000 2.779 560 F HA 0.468 4.995 4.527 -0.001 0.000 0.316 560 F C -0.854 174.929 175.800 -0.027 0.000 1.164 560 F CA -1.132 56.849 58.000 -0.032 0.000 0.924 560 F CB 1.539 40.516 39.000 -0.038 0.000 1.348 560 F HN 0.317 nan 8.300 nan 0.000 0.467 561 Q N 1.572 121.437 119.800 0.108 0.000 2.286 561 Q HA 0.239 4.579 4.340 -0.001 0.000 0.257 561 Q C -0.500 175.497 176.000 -0.005 0.000 0.941 561 Q CA -0.504 55.293 55.803 -0.010 0.000 0.912 561 Q CB 1.285 30.047 28.738 0.041 0.000 1.192 561 Q HN 0.646 nan 8.270 nan 0.000 0.410 562 E N 1.882 122.008 120.200 -0.124 0.000 2.404 562 E HA 0.102 4.451 4.350 -0.001 0.000 0.261 562 E C -0.852 175.750 176.600 0.004 0.000 1.074 562 E CA -0.359 56.005 56.400 -0.061 0.000 0.917 562 E CB 0.754 30.392 29.700 -0.103 0.000 0.965 562 E HN 0.391 nan 8.360 nan 0.000 0.433 563 V N 1.603 121.531 119.914 0.024 0.000 3.003 563 V HA 0.443 4.563 4.120 -0.001 0.000 0.305 563 V C -2.034 174.057 176.094 -0.004 0.000 1.078 563 V CA -1.682 60.627 62.300 0.014 0.000 1.083 563 V CB 0.150 31.980 31.823 0.013 0.000 1.039 563 V HN 0.718 nan 8.190 nan 0.000 0.481 564 P HA 0.061 nan 4.420 nan 0.000 0.266 564 P C 0.688 177.982 177.300 -0.009 0.000 1.186 564 P CA 0.413 63.507 63.100 -0.009 0.000 0.767 564 P CB 0.134 31.828 31.700 -0.009 0.000 0.820 565 N N 1.355 120.050 118.700 -0.009 0.000 2.289 565 N HA -0.121 4.619 4.740 -0.001 0.000 0.184 565 N C 1.686 177.192 175.510 -0.005 0.000 1.016 565 N CA 0.804 53.849 53.050 -0.008 0.000 0.872 565 N CB -0.296 38.185 38.487 -0.009 0.000 0.973 565 N HN 0.573 nan 8.380 nan 0.000 0.433 566 G N 0.077 108.875 108.800 -0.004 0.000 2.776 566 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.209 566 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.209 566 G C 0.382 175.280 174.900 -0.004 0.000 1.145 566 G CA -0.151 44.948 45.100 -0.002 0.000 0.791 566 G HN 0.366 nan 8.290 nan 0.000 0.530 567 Q N 1.105 120.901 119.800 -0.008 0.000 2.279 567 Q HA 0.366 4.705 4.340 -0.001 0.000 0.256 567 Q C 0.326 176.319 176.000 -0.012 0.000 0.937 567 Q CA -0.446 55.348 55.803 -0.015 0.000 0.933 567 Q CB 0.643 29.367 28.738 -0.023 0.000 1.189 567 Q HN 0.146 nan 8.270 nan 0.000 0.417 568 S N 3.161 118.854 115.700 -0.012 0.000 2.599 568 S HA -0.089 4.381 4.470 -0.001 0.000 0.303 568 S C 1.013 175.606 174.600 -0.012 0.000 1.267 568 S CA 0.351 58.546 58.200 -0.009 0.000 1.055 568 S CB 0.525 63.719 63.200 -0.010 0.000 0.790 568 S HN 0.780 nan 8.310 nan 0.000 0.500 569 K N 2.806 123.203 120.400 -0.006 0.000 2.152 569 K HA -0.115 4.204 4.320 -0.001 0.000 0.206 569 K C 1.776 178.370 176.600 -0.009 0.000 1.048 569 K CA 1.657 57.941 56.287 -0.004 0.000 0.933 569 K CB -0.041 32.460 32.500 0.002 0.000 0.721 569 K HN 0.704 nan 8.250 nan 0.000 0.447 570 E N 0.517 120.708 120.200 -0.016 0.000 2.358 570 E HA -0.099 4.251 4.350 -0.001 0.000 0.195 570 E C 0.104 176.681 176.600 -0.038 0.000 1.010 570 E CA 0.119 56.504 56.400 -0.026 0.000 0.856 570 E CB 0.137 29.818 29.700 -0.033 0.000 0.795 570 E HN 0.159 nan 8.360 nan 0.000 0.504 571 D N 1.000 121.375 120.400 -0.041 0.000 2.344 571 D HA -0.029 4.610 4.640 -0.001 0.000 0.253 571 D C 0.752 177.018 176.300 -0.056 0.000 1.255 571 D CA 0.189 54.152 54.000 -0.062 0.000 0.894 571 D CB 0.970 41.725 40.800 -0.074 0.000 1.067 571 D HN 0.001 nan 8.370 nan 0.000 0.492 572 T N 0.211 114.733 114.554 -0.055 0.000 3.086 572 T HA 0.111 4.460 4.350 -0.001 0.000 0.250 572 T C 0.872 175.544 174.700 -0.048 0.000 1.074 572 T CA -0.340 61.739 62.100 -0.034 0.000 0.988 572 T CB -0.049 68.811 68.868 -0.014 0.000 0.988 572 T HN 0.081 nan 8.240 nan 0.000 0.530 573 V N 2.221 122.078 119.914 -0.094 0.000 2.529 573 V HA 0.477 4.597 4.120 -0.001 0.000 0.292 573 V C 1.669 177.716 176.094 -0.078 0.000 1.028 573 V CA 1.227 63.461 62.300 -0.110 0.000 1.074 573 V CB -0.028 31.646 31.823 -0.248 0.000 0.958 573 V HN 0.851 nan 8.190 nan 0.000 0.481 574 G N 4.803 113.580 108.800 -0.040 0.000 2.194 574 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.236 574 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.236 574 G C 0.265 175.178 174.900 0.022 0.000 0.987 574 G CA -0.044 45.053 45.100 -0.005 0.000 0.635 574 G HN 0.609 nan 8.290 nan 0.000 0.520 575 R N 0.720 121.224 120.500 0.006 0.000 2.598 575 R HA 0.496 4.836 4.340 -0.001 0.000 0.279 575 R C -2.472 173.820 176.300 -0.013 0.000 0.984 575 R CA -1.804 54.316 56.100 0.032 0.000 0.999 575 R CB 1.646 31.968 30.300 0.036 0.000 1.114 575 R HN 0.031 nan 8.270 nan 0.000 0.493 576 P HA 0.049 nan 4.420 nan 0.000 0.214 576 P C -0.612 176.724 177.300 0.060 0.000 1.826 576 P CA -0.276 62.766 63.100 -0.096 0.000 0.977 576 P CB -0.047 31.569 31.700 -0.140 0.000 1.930 577 L N 3.281 124.534 121.223 0.051 0.000 2.477 577 L HA 0.291 4.631 4.340 -0.001 0.000 0.272 577 L C -2.307 174.675 176.870 0.186 0.000 1.157 577 L CA -1.752 53.153 54.840 0.108 0.000 0.889 577 L CB -0.344 41.748 42.059 0.054 0.000 1.158 577 L HN 0.021 nan 8.230 nan 0.000 0.473 578 P HA -0.030 nan 4.420 nan 0.000 0.268 578 P C -0.803 176.627 177.300 0.217 0.000 1.208 578 P CA -0.080 63.197 63.100 0.296 0.000 0.777 578 P CB 0.226 31.994 31.700 0.113 0.000 0.875 579 H N 2.597 121.746 119.070 0.132 0.000 3.140 579 H HA -0.055 4.501 4.556 -0.001 0.000 0.316 579 H C 1.117 176.484 175.328 0.066 0.000 0.986 579 H CA 0.753 56.849 56.048 0.079 0.000 1.397 579 H CB 0.359 30.164 29.762 0.071 0.000 1.377 579 H HN 0.386 nan 8.280 nan 0.000 0.585 580 L N 4.038 125.339 121.223 0.131 0.000 2.265 580 L HA -0.148 4.192 4.340 -0.001 0.000 0.215 580 L C 2.151 179.155 176.870 0.224 0.000 1.117 580 L CA 1.321 56.248 54.840 0.145 0.000 0.782 580 L CB -0.222 41.873 42.059 0.060 0.000 0.914 580 L HN 0.628 nan 8.230 nan 0.000 0.441 581 A N -1.012 122.059 122.820 0.418 0.000 2.390 581 A HA 0.398 4.718 4.320 -0.001 0.000 0.232 581 A C 2.309 179.959 177.584 0.110 0.000 1.233 581 A CA 0.618 52.791 52.037 0.226 0.000 0.907 581 A CB -0.076 19.051 19.000 0.211 0.000 0.967 581 A HN 0.249 nan 8.150 nan 0.000 0.512 582 A N 0.564 123.448 122.820 0.107 0.000 1.917 582 A HA 0.011 4.331 4.320 -0.001 0.000 0.219 582 A C 2.411 180.008 177.584 0.023 0.000 1.182 582 A CA 2.212 54.252 52.037 0.006 0.000 0.633 582 A CB -0.876 18.137 19.000 0.022 0.000 0.819 582 A HN 1.111 nan 8.150 nan 0.000 0.448 583 A N -0.817 122.029 122.820 0.044 0.000 1.930 583 A HA -0.072 4.247 4.320 -0.001 0.000 0.217 583 A C 2.217 179.825 177.584 0.040 0.000 1.175 583 A CA 1.735 53.794 52.037 0.036 0.000 0.627 583 A CB -0.500 18.524 19.000 0.041 0.000 0.815 583 A HN 0.555 nan 8.150 nan 0.000 0.443 584 M N -0.987 118.641 119.600 0.047 0.000 2.319 584 M HA -0.137 4.342 4.480 -0.001 0.000 0.265 584 M C 2.243 178.571 176.300 0.047 0.000 1.068 584 M CA 1.101 56.427 55.300 0.042 0.000 1.118 584 M CB -0.278 32.347 32.600 0.042 0.000 1.395 584 M HN 0.490 nan 8.290 nan 0.000 0.435 585 Q N 0.352 120.181 119.800 0.048 0.000 2.083 585 Q HA -0.029 4.311 4.340 -0.001 0.000 0.198 585 Q C 2.320 178.358 176.000 0.064 0.000 0.969 585 Q CA 1.469 57.318 55.803 0.077 0.000 0.838 585 Q CB -0.238 28.532 28.738 0.054 0.000 0.900 585 Q HN 0.568 nan 8.270 nan 0.000 0.436 586 A N 1.106 123.953 122.820 0.045 0.000 2.019 586 A HA -0.156 4.164 4.320 -0.001 0.000 0.219 586 A C 2.117 179.728 177.584 0.044 0.000 1.164 586 A CA 1.724 53.792 52.037 0.052 0.000 0.644 586 A CB -0.350 18.680 19.000 0.051 0.000 0.805 586 A HN 0.408 nan 8.150 nan 0.000 0.449 587 S N -2.737 112.984 115.700 0.036 0.000 2.524 587 S HA 0.406 4.876 4.470 -0.001 0.000 0.215 587 S C 1.374 175.981 174.600 0.012 0.000 0.986 587 S CA 1.034 59.246 58.200 0.019 0.000 0.911 587 S CB -0.026 63.186 63.200 0.020 0.000 0.805 587 S HN 1.864 nan 8.310 nan 0.000 0.501 588 G N 1.430 110.248 108.800 0.029 0.000 2.162 588 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.260 588 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.260 588 G C 0.462 175.385 174.900 0.037 0.000 0.976 588 G CA 0.497 45.615 45.100 0.030 0.000 0.655 588 G HN 0.597 nan 8.290 nan 0.000 0.533 589 E N 0.057 120.277 120.200 0.033 0.000 2.385 589 E HA 0.406 4.756 4.350 -0.001 0.000 0.194 589 E C 1.678 178.289 176.600 0.018 0.000 1.013 589 E CA 0.349 56.761 56.400 0.021 0.000 0.866 589 E CB 0.225 29.933 29.700 0.014 0.000 0.832 589 E HN 0.765 nan 8.360 nan 0.000 0.500 590 A N 1.573 124.408 122.820 0.025 0.000 2.454 590 A HA 0.213 4.533 4.320 -0.001 0.000 0.260 590 A C 0.091 177.623 177.584 -0.086 0.000 1.106 590 A CA -0.214 51.791 52.037 -0.052 0.000 0.780 590 A CB 0.421 19.374 19.000 -0.078 0.000 1.044 590 A HN 0.004 nan 8.150 nan 0.000 0.498 591 V N 4.558 124.380 119.914 -0.152 0.000 2.385 591 V HA 0.261 4.381 4.120 -0.001 0.000 0.269 591 V C -0.554 175.407 176.094 -0.223 0.000 1.043 591 V CA -0.056 62.193 62.300 -0.084 0.000 0.906 591 V CB -0.260 31.532 31.823 -0.052 0.000 0.995 591 V HN 0.745 nan 8.190 nan 0.000 0.467 592 Y N 2.028 122.389 120.300 0.102 0.000 2.432 592 Y HA 0.310 4.860 4.550 -0.001 0.000 0.322 592 Y C 1.637 177.585 175.900 0.079 0.000 1.246 592 Y CA -0.442 57.730 58.100 0.120 0.000 1.268 592 Y CB 0.463 39.078 38.460 0.258 0.000 1.276 592 Y HN 0.628 nan 8.280 nan 0.000 0.499 593 C N 0.780 120.212 119.300 0.219 0.000 2.336 593 C HA -0.301 4.158 4.460 -0.001 0.000 0.272 593 C C 2.475 177.531 174.990 0.111 0.000 1.160 593 C CA 2.572 61.669 59.018 0.131 0.000 1.783 593 C CB -0.837 26.971 27.740 0.113 0.000 2.050 593 C HN 1.081 nan 8.230 nan 0.000 0.443 594 D N -0.634 119.860 120.400 0.156 0.000 2.363 594 D HA -0.037 4.603 4.640 -0.001 0.000 0.220 594 D C 1.492 177.862 176.300 0.117 0.000 0.994 594 D CA 0.781 54.863 54.000 0.136 0.000 0.890 594 D CB -0.349 40.548 40.800 0.163 0.000 0.906 594 D HN 0.542 nan 8.370 nan 0.000 0.530 595 D N -0.326 120.154 120.400 0.134 0.000 2.289 595 D HA 0.017 4.656 4.640 -0.001 0.000 0.207 595 D C 0.610 176.918 176.300 0.013 0.000 0.966 595 D CA 0.114 54.173 54.000 0.098 0.000 0.868 595 D CB 0.138 41.031 40.800 0.154 0.000 0.943 595 D HN 0.347 nan 8.370 nan 0.000 0.514 596 I N 3.179 123.730 120.570 -0.031 0.000 2.741 596 I HA -0.020 4.150 4.170 -0.001 0.000 0.288 596 I C -1.910 174.125 176.117 -0.137 0.000 1.192 596 I CA -1.314 59.902 61.300 -0.139 0.000 1.426 596 I CB 0.169 38.003 38.000 -0.277 0.000 1.367 596 I HN -0.240 nan 8.210 nan 0.000 0.563 597 P HA 0.058 nan 4.420 nan 0.000 0.269 597 P C -0.908 176.265 177.300 -0.212 0.000 1.209 597 P CA -0.270 62.734 63.100 -0.161 0.000 0.776 597 P CB 0.363 31.955 31.700 -0.181 0.000 0.876 598 R N 1.881 122.307 120.500 -0.123 0.000 2.459 598 R HA 0.355 4.695 4.340 -0.001 0.000 0.281 598 R C -0.383 175.830 176.300 -0.144 0.000 1.050 598 R CA -0.624 55.419 56.100 -0.096 0.000 1.055 598 R CB 0.057 30.371 30.300 0.024 0.000 1.045 598 R HN 0.309 nan 8.270 nan 0.000 0.495 599 Y N 1.298 121.574 120.300 -0.041 0.000 2.550 599 Y HA -0.116 4.434 4.550 -0.001 0.000 0.343 599 Y C 1.711 177.607 175.900 -0.007 0.000 1.245 599 Y CA 0.517 58.600 58.100 -0.028 0.000 1.462 599 Y CB 0.813 39.254 38.460 -0.033 0.000 1.340 599 Y HN 0.798 nan 8.280 nan 0.000 0.604 600 E N 0.199 120.499 120.200 0.166 0.000 2.160 600 E HA -0.268 4.082 4.350 -0.001 0.000 0.195 600 E C 0.767 177.438 176.600 0.118 0.000 0.991 600 E CA 1.747 58.211 56.400 0.107 0.000 0.810 600 E CB -0.279 29.469 29.700 0.079 0.000 0.742 600 E HN 0.681 nan 8.360 nan 0.000 0.466 601 N N 0.939 119.713 118.700 0.123 0.000 2.235 601 N HA -0.023 4.716 4.740 -0.001 0.000 0.209 601 N C -0.442 175.195 175.510 0.210 0.000 1.122 601 N CA -0.088 53.048 53.050 0.143 0.000 0.845 601 N CB 0.204 38.673 38.487 -0.029 0.000 1.004 601 N HN 0.313 nan 8.380 nan 0.000 0.499 602 E N 1.032 121.310 120.200 0.130 0.000 2.316 602 E HA 0.242 4.592 4.350 -0.001 0.000 0.275 602 E C -0.562 175.963 176.600 -0.124 0.000 1.029 602 E CA -0.370 56.041 56.400 0.018 0.000 0.871 602 E CB 0.671 30.368 29.700 -0.006 0.000 1.022 602 E HN 0.227 nan 8.360 nan 0.000 0.418 603 L N 3.569 124.668 121.223 -0.207 0.000 2.331 603 L HA 0.528 4.868 4.340 -0.001 0.000 0.268 603 L C -0.596 175.943 176.870 -0.551 0.000 1.015 603 L CA -1.068 53.634 54.840 -0.229 0.000 0.807 603 L CB 0.854 42.840 42.059 -0.122 0.000 1.293 603 L HN 0.539 nan 8.230 nan 0.000 0.451 604 F N 0.983 120.951 119.950 0.031 0.000 2.508 604 F HA 0.585 5.111 4.527 -0.000 0.000 0.325 604 F C -0.207 175.613 175.800 0.033 0.000 1.090 604 F CA -0.500 57.524 58.000 0.040 0.000 0.945 604 F CB 1.841 40.866 39.000 0.041 0.000 1.156 604 F HN 0.164 nan 8.300 nan 0.000 0.463 605 L N 3.371 124.706 121.223 0.186 0.000 2.346 605 L HA 0.753 5.093 4.340 -0.001 0.000 0.276 605 L C -1.005 175.963 176.870 0.163 0.000 1.006 605 L CA -0.832 54.089 54.840 0.135 0.000 0.817 605 L CB 1.417 43.534 42.059 0.097 0.000 1.272 605 L HN 0.640 nan 8.230 nan 0.000 0.421 606 R N 4.242 124.831 120.500 0.149 0.000 2.480 606 R HA 0.581 4.921 4.340 -0.001 0.000 0.306 606 R C -1.549 174.844 176.300 0.155 0.000 0.958 606 R CA -0.418 55.773 56.100 0.152 0.000 0.861 606 R CB 1.182 31.575 30.300 0.155 0.000 1.171 606 R HN 0.651 nan 8.270 nan 0.000 0.445 607 L N 3.599 124.917 121.223 0.158 0.000 2.397 607 L HA 0.375 4.715 4.340 -0.001 0.000 0.271 607 L C -0.231 176.748 176.870 0.183 0.000 1.148 607 L CA -0.753 54.191 54.840 0.174 0.000 0.825 607 L CB 1.162 43.329 42.059 0.181 0.000 1.117 607 L HN 0.280 nan 8.230 nan 0.000 0.456 608 V N 1.646 121.678 119.914 0.196 0.000 2.350 608 V HA 0.421 4.540 4.120 -0.001 0.000 0.276 608 V C 0.315 176.529 176.094 0.200 0.000 1.028 608 V CA -0.390 62.037 62.300 0.212 0.000 0.860 608 V CB 1.307 33.307 31.823 0.296 0.000 0.990 608 V HN 0.945 nan 8.190 nan 0.000 0.453 609 T N 1.084 115.754 114.554 0.194 0.000 2.924 609 T HA 0.567 4.916 4.350 -0.001 0.000 0.291 609 T C -0.014 174.816 174.700 0.216 0.000 1.045 609 T CA -0.651 61.569 62.100 0.200 0.000 1.015 609 T CB 1.800 70.782 68.868 0.191 0.000 1.103 609 T HN 0.573 nan 8.240 nan 0.000 0.496 610 S N 0.584 116.423 115.700 0.232 0.000 2.562 610 S HA 0.284 4.753 4.470 -0.001 0.000 0.281 610 S C 1.197 175.881 174.600 0.139 0.000 1.333 610 S CA 0.080 58.436 58.200 0.260 0.000 1.052 610 S CB 0.014 63.364 63.200 0.251 0.000 0.884 610 S HN 1.017 nan 8.310 nan 0.000 0.506 611 T N 2.401 116.970 114.554 0.026 0.000 3.134 611 T HA 0.396 4.746 4.350 -0.001 0.000 0.260 611 T C 0.252 174.822 174.700 -0.216 0.000 1.027 611 T CA -0.524 61.539 62.100 -0.062 0.000 0.913 611 T CB -0.074 68.787 68.868 -0.013 0.000 1.046 611 T HN 0.433 nan 8.240 nan 0.000 0.553 612 R N 0.195 120.503 120.500 -0.320 0.000 2.686 612 R HA 0.762 5.102 4.340 -0.001 0.000 0.286 612 R C 0.833 177.091 176.300 -0.071 0.000 0.969 612 R CA -0.348 55.580 56.100 -0.287 0.000 0.898 612 R CB 1.476 31.440 30.300 -0.560 0.000 1.183 612 R HN 0.136 nan 8.270 nan 0.000 0.456 613 A N 1.080 123.893 122.820 -0.012 0.000 1.968 613 A HA -0.059 4.261 4.320 -0.001 0.000 0.217 613 A C 0.383 178.045 177.584 0.130 0.000 1.169 613 A CA 1.275 53.340 52.037 0.046 0.000 0.638 613 A CB -0.033 18.984 19.000 0.027 0.000 0.812 613 A HN 0.712 nan 8.150 nan 0.000 0.446 614 H N -2.046 117.026 119.070 0.003 0.000 3.179 614 H HA 0.515 5.071 4.556 -0.001 0.000 0.331 614 H C -1.264 174.087 175.328 0.038 0.000 1.013 614 H CA -0.193 55.876 56.048 0.036 0.000 1.430 614 H CB 1.012 30.787 29.762 0.020 0.000 1.895 614 H HN 0.467 nan 8.280 nan 0.000 0.468 615 A N 4.306 127.185 122.820 0.099 0.000 2.597 615 A HA 0.371 4.691 4.320 -0.001 0.000 0.292 615 A C -1.488 176.166 177.584 0.116 0.000 1.057 615 A CA -0.997 51.077 52.037 0.061 0.000 0.674 615 A CB 1.691 20.772 19.000 0.135 0.000 1.278 615 A HN 0.574 nan 8.150 nan 0.000 0.416 616 K N 0.880 121.329 120.400 0.081 0.000 2.218 616 K HA 0.525 4.845 4.320 -0.001 0.000 0.276 616 K C -0.727 175.936 176.600 0.105 0.000 1.022 616 K CA -0.112 56.220 56.287 0.074 0.000 0.946 616 K CB 1.083 33.599 32.500 0.027 0.000 1.000 616 K HN 0.535 nan 8.250 nan 0.000 0.468 617 I N 4.257 124.859 120.570 0.053 0.000 2.363 617 I HA -0.008 4.161 4.170 -0.001 0.000 0.292 617 I C 1.141 177.223 176.117 -0.058 0.000 1.075 617 I CA -0.304 60.968 61.300 -0.047 0.000 1.333 617 I CB 0.570 38.539 38.000 -0.051 0.000 1.415 617 I HN 0.470 nan 8.210 nan 0.000 0.502 618 K N 3.893 124.239 120.400 -0.090 0.000 1.995 618 K HA 0.075 4.395 4.320 -0.001 0.000 0.207 618 K C 0.859 177.413 176.600 -0.077 0.000 1.041 618 K CA 0.906 57.156 56.287 -0.063 0.000 0.942 618 K CB -0.127 32.342 32.500 -0.051 0.000 0.731 618 K HN 0.720 nan 8.250 nan 0.000 0.439 619 S N -0.673 114.957 115.700 -0.118 0.000 2.697 619 S HA 0.691 5.161 4.470 -0.001 0.000 0.289 619 S C -0.524 173.979 174.600 -0.161 0.000 1.149 619 S CA -0.978 57.155 58.200 -0.113 0.000 0.850 619 S CB 1.788 64.932 63.200 -0.094 0.000 1.151 619 S HN 0.060 nan 8.310 nan 0.000 0.491 620 I N 1.351 121.835 120.570 -0.143 0.000 2.499 620 I HA 0.410 4.580 4.170 -0.001 0.000 0.288 620 I C -1.560 174.429 176.117 -0.214 0.000 1.048 620 I CA -0.405 60.776 61.300 -0.198 0.000 1.062 620 I CB 2.058 39.953 38.000 -0.174 0.000 1.238 620 I HN 0.667 nan 8.210 nan 0.000 0.426 621 D N 5.803 126.056 120.400 -0.244 0.000 2.440 621 D HA 0.281 4.921 4.640 -0.001 0.000 0.239 621 D C 0.383 176.513 176.300 -0.282 0.000 1.084 621 D CA -0.388 53.482 54.000 -0.217 0.000 0.843 621 D CB 2.071 42.772 40.800 -0.164 0.000 1.097 621 D HN 0.339 nan 8.370 nan 0.000 0.531 622 V N 1.810 121.549 119.914 -0.291 0.000 3.542 622 V HA 0.118 4.237 4.120 -0.001 0.000 0.296 622 V C 1.480 177.395 176.094 -0.299 0.000 1.364 622 V CA 0.738 62.839 62.300 -0.330 0.000 1.118 622 V CB -0.368 31.259 31.823 -0.327 0.000 0.972 622 V HN 0.436 nan 8.190 nan 0.000 0.430 623 S N 0.297 115.859 115.700 -0.230 0.000 2.383 623 S HA -0.107 4.363 4.470 -0.001 0.000 0.227 623 S C 1.717 176.188 174.600 -0.214 0.000 1.026 623 S CA 1.131 59.205 58.200 -0.209 0.000 0.981 623 S CB -0.357 62.756 63.200 -0.144 0.000 0.818 623 S HN 0.595 nan 8.310 nan 0.000 0.472 624 E N 2.120 122.207 120.200 -0.187 0.000 2.107 624 E HA 0.106 4.455 4.350 -0.001 0.000 0.191 624 E C 2.407 178.888 176.600 -0.198 0.000 0.982 624 E CA 1.103 57.408 56.400 -0.158 0.000 0.809 624 E CB -0.823 28.808 29.700 -0.116 0.000 0.756 624 E HN 0.628 nan 8.360 nan 0.000 0.459 625 A N 1.471 124.140 122.820 -0.252 0.000 1.883 625 A HA -0.253 4.067 4.320 -0.001 0.000 0.217 625 A C 2.109 179.328 177.584 -0.607 0.000 1.186 625 A CA 1.683 53.556 52.037 -0.273 0.000 0.624 625 A CB -0.634 18.252 19.000 -0.191 0.000 0.822 625 A HN 0.246 nan 8.150 nan 0.000 0.444 626 Q N -0.469 118.767 119.800 -0.939 0.000 2.291 626 Q HA -0.143 4.197 4.340 -0.001 0.000 0.206 626 Q C 1.772 177.505 176.000 -0.446 0.000 0.976 626 Q CA 1.428 56.578 55.803 -1.089 0.000 0.875 626 Q CB -0.162 28.170 28.738 -0.677 0.000 0.927 626 Q HN 0.646 nan 8.270 nan 0.000 0.450 627 K N 0.138 120.364 120.400 -0.290 0.000 2.296 627 K HA 0.040 4.359 4.320 -0.001 0.000 0.200 627 K C 0.238 176.776 176.600 -0.104 0.000 1.048 627 K CA 0.116 56.311 56.287 -0.153 0.000 0.966 627 K CB 0.375 32.805 32.500 -0.116 0.000 0.754 627 K HN -0.021 nan 8.250 nan 0.000 0.466 628 V N 3.939 123.795 119.914 -0.095 0.000 2.529 628 V HA 0.018 4.138 4.120 -0.001 0.000 0.292 628 V C -2.214 173.827 176.094 -0.089 0.000 1.028 628 V CA -1.377 60.893 62.300 -0.050 0.000 1.074 628 V CB 0.281 32.121 31.823 0.028 0.000 0.958 628 V HN 0.064 nan 8.190 nan 0.000 0.481 629 P HA 0.191 nan 4.420 nan 0.000 0.262 629 P C 0.941 177.953 177.300 -0.481 0.000 1.182 629 P CA 1.457 64.378 63.100 -0.299 0.000 0.761 629 P CB 0.525 32.019 31.700 -0.344 0.000 0.795 630 G N 2.477 111.174 108.800 -0.172 0.000 2.176 630 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.253 630 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.253 630 G C 0.149 175.106 174.900 0.095 0.000 0.979 630 G CA -0.432 44.656 45.100 -0.020 0.000 0.641 630 G HN 0.559 nan 8.290 nan 0.000 0.530 631 F N 1.137 121.065 119.950 -0.036 0.000 2.623 631 F HA 0.362 4.888 4.527 -0.001 0.000 0.383 631 F C 1.364 177.172 175.800 0.013 0.000 1.077 631 F CA 1.013 59.020 58.000 0.012 0.000 1.268 631 F CB 0.912 39.912 39.000 0.000 0.000 1.053 631 F HN -0.069 nan 8.300 nan 0.000 0.571 632 V N 4.727 124.334 119.914 -0.512 0.000 2.743 632 V HA 0.073 4.192 4.120 -0.001 0.000 0.237 632 V C 0.451 176.153 176.094 -0.654 0.000 1.113 632 V CA 1.111 63.166 62.300 -0.408 0.000 1.141 632 V CB 0.311 31.966 31.823 -0.280 0.000 0.873 632 V HN 1.041 nan 8.190 nan 0.000 0.486 633 C N -1.933 116.738 119.300 -1.049 0.000 3.275 633 C HA 0.679 5.139 4.460 -0.001 0.000 0.340 633 C C -1.373 173.330 174.990 -0.478 0.000 1.366 633 C CA -1.370 57.248 59.018 -0.667 0.000 1.227 633 C CB 0.878 28.484 27.740 -0.222 0.000 1.512 633 C HN 0.307 nan 8.230 nan 0.000 0.461 634 F N 1.550 121.437 119.950 -0.105 0.000 2.482 634 F HA 0.851 5.378 4.527 -0.001 0.000 0.331 634 F C -1.011 174.746 175.800 -0.072 0.000 1.115 634 F CA -1.192 56.805 58.000 -0.005 0.000 0.955 634 F CB 0.964 40.064 39.000 0.167 0.000 1.136 634 F HN 0.739 nan 8.300 nan 0.000 0.452 635 L N 5.629 126.266 121.223 -0.977 0.000 2.334 635 L HA 0.725 5.064 4.340 -0.001 0.000 0.276 635 L C -0.307 175.725 176.870 -1.397 0.000 1.014 635 L CA -0.448 53.900 54.840 -0.820 0.000 0.815 635 L CB 1.943 43.736 42.059 -0.444 0.000 1.268 635 L HN 0.862 nan 8.230 nan 0.000 0.428 636 S N 0.753 115.946 115.700 -0.845 0.000 2.819 636 S HA 0.586 5.056 4.470 -0.001 0.000 0.299 636 S C 0.600 175.121 174.600 -0.131 0.000 1.192 636 S CA -0.111 57.639 58.200 -0.748 0.000 0.847 636 S CB 1.204 64.189 63.200 -0.358 0.000 1.224 636 S HN 0.584 nan 8.310 nan 0.000 0.537 637 A N 0.686 123.541 122.820 0.059 0.000 1.986 637 A HA -0.102 4.217 4.320 -0.001 0.000 0.220 637 A C 1.514 179.163 177.584 0.109 0.000 1.171 637 A CA 2.153 54.303 52.037 0.189 0.000 0.640 637 A CB -1.259 17.822 19.000 0.135 0.000 0.811 637 A HN 0.773 nan 8.150 nan 0.000 0.451 638 D N 0.054 120.489 120.400 0.059 0.000 2.269 638 D HA -0.068 4.572 4.640 -0.001 0.000 0.208 638 D C 0.886 177.219 176.300 0.055 0.000 0.963 638 D CA 0.798 54.828 54.000 0.050 0.000 0.864 638 D CB -0.253 40.572 40.800 0.042 0.000 0.936 638 D HN 0.446 nan 8.370 nan 0.000 0.505 639 D N 0.077 120.513 120.400 0.060 0.000 2.363 639 D HA 0.011 4.651 4.640 -0.001 0.000 0.220 639 D C 0.729 177.093 176.300 0.106 0.000 0.994 639 D CA 0.075 54.124 54.000 0.082 0.000 0.890 639 D CB 0.781 41.616 40.800 0.058 0.000 0.906 639 D HN 0.275 nan 8.370 nan 0.000 0.530 640 I N 3.018 123.636 120.570 0.081 0.000 2.471 640 I HA -0.008 4.161 4.170 -0.001 0.000 0.286 640 I C -1.009 175.085 176.117 -0.038 0.000 1.079 640 I CA -1.136 60.174 61.300 0.015 0.000 1.398 640 I CB 1.380 39.382 38.000 0.002 0.000 1.403 640 I HN -0.178 nan 8.210 nan 0.000 0.530 641 P HA 0.080 nan 4.420 nan 0.000 0.234 641 P C 0.795 178.020 177.300 -0.125 0.000 1.175 641 P CA 0.489 63.509 63.100 -0.134 0.000 0.801 641 P CB 0.590 32.106 31.700 -0.307 0.000 0.891 642 G N 0.089 108.798 108.800 -0.151 0.000 3.434 642 G HA2 0.219 4.179 3.960 -0.001 0.000 0.192 642 G HA3 0.219 4.179 3.960 -0.001 0.000 0.192 642 G C -0.489 174.361 174.900 -0.082 0.000 1.704 642 G CA -0.013 45.020 45.100 -0.112 0.000 0.936 642 G HN 0.200 nan 8.290 nan 0.000 0.623 643 S N -0.235 115.411 115.700 -0.089 0.000 2.508 643 S HA 0.254 4.723 4.470 -0.001 0.000 0.284 643 S C 0.605 175.147 174.600 -0.095 0.000 1.192 643 S CA -0.570 57.581 58.200 -0.081 0.000 1.070 643 S CB 1.166 64.314 63.200 -0.088 0.000 1.004 643 S HN 0.399 nan 8.310 nan 0.000 0.493 644 N N 3.042 121.701 118.700 -0.069 0.000 2.434 644 N HA 0.022 4.761 4.740 -0.001 0.000 0.196 644 N C -0.087 175.373 175.510 -0.085 0.000 1.183 644 N CA 0.147 53.156 53.050 -0.069 0.000 0.849 644 N CB 0.122 38.601 38.487 -0.014 0.000 0.992 644 N HN 0.774 nan 8.380 nan 0.000 0.460 645 E N -0.420 119.716 120.200 -0.106 0.000 2.145 645 E HA 0.335 4.684 4.350 -0.001 0.000 0.270 645 E C -0.908 175.568 176.600 -0.207 0.000 0.906 645 E CA -0.453 55.880 56.400 -0.113 0.000 0.761 645 E CB 1.107 30.762 29.700 -0.075 0.000 1.116 645 E HN 0.001 nan 8.360 nan 0.000 0.408 646 T N 2.266 116.668 114.554 -0.253 0.000 2.654 646 T HA 0.766 5.116 4.350 -0.001 0.000 0.289 646 T C -0.659 173.780 174.700 -0.435 0.000 1.062 646 T CA 0.382 62.189 62.100 -0.489 0.000 1.041 646 T CB 1.204 69.770 68.868 -0.503 0.000 1.417 646 T HN 1.029 nan 8.240 nan 0.000 0.510 647 G N 0.680 109.080 108.800 -0.665 0.000 2.692 647 G HA2 -0.015 3.944 3.960 -0.001 0.000 0.686 647 G HA3 -0.015 3.944 3.960 -0.001 0.000 0.686 647 G C 0.277 175.210 174.900 0.055 0.000 1.243 647 G CA -0.161 44.850 45.100 -0.150 0.000 0.782 647 G HN 1.072 nan 8.290 nan 0.000 0.625 648 L N 0.343 121.750 121.223 0.306 0.000 2.103 648 L HA 0.062 4.402 4.340 -0.001 0.000 0.215 648 L C 2.002 178.741 176.870 -0.219 0.000 1.080 648 L CA 2.598 57.531 54.840 0.155 0.000 0.764 648 L CB -0.506 41.661 42.059 0.179 0.000 0.890 648 L HN 0.601 nan 8.230 nan 0.000 0.435 649 F N -1.253 118.726 119.950 0.047 0.000 2.698 649 F HA 0.256 4.783 4.527 -0.001 0.000 0.304 649 F C 1.101 176.884 175.800 -0.028 0.000 1.108 649 F CA -0.325 57.676 58.000 0.002 0.000 1.263 649 F CB -0.517 38.465 39.000 -0.031 0.000 1.013 649 F HN 0.050 nan 8.300 nan 0.000 0.532 650 N N 0.960 119.680 118.700 0.033 0.000 2.693 650 N HA -0.230 4.510 4.740 -0.001 0.000 0.249 650 N C -0.263 175.252 175.510 0.009 0.000 1.119 650 N CA 1.035 54.068 53.050 -0.029 0.000 0.717 650 N CB -0.618 37.852 38.487 -0.028 0.000 1.071 650 N HN 0.417 nan 8.380 nan 0.000 0.555 651 D N -0.666 119.758 120.400 0.039 0.000 2.427 651 D HA 0.116 4.756 4.640 -0.001 0.000 0.224 651 D C 0.041 176.353 176.300 0.021 0.000 1.157 651 D CA 0.222 54.246 54.000 0.039 0.000 0.828 651 D CB 0.168 40.995 40.800 0.044 0.000 0.974 651 D HN 0.428 nan 8.370 nan 0.000 0.498 652 E N -0.312 119.882 120.200 -0.010 0.000 2.392 652 E HA 0.455 4.805 4.350 -0.001 0.000 0.269 652 E C -0.502 176.094 176.600 -0.006 0.000 0.924 652 E CA -0.992 55.408 56.400 -0.001 0.000 0.784 652 E CB 1.736 31.422 29.700 -0.023 0.000 1.292 652 E HN 0.113 nan 8.360 nan 0.000 0.447 653 T N -2.102 112.489 114.554 0.061 0.000 2.928 653 T HA 0.256 4.605 4.350 -0.001 0.000 0.284 653 T C 0.991 175.679 174.700 -0.020 0.000 1.008 653 T CA -0.793 61.333 62.100 0.045 0.000 1.057 653 T CB 1.308 70.256 68.868 0.132 0.000 1.018 653 T HN 0.163 nan 8.240 nan 0.000 0.493 654 V N 0.663 120.501 119.914 -0.127 0.000 2.323 654 V HA 0.149 4.269 4.120 -0.001 0.000 0.244 654 V C 0.321 176.179 176.094 -0.393 0.000 1.041 654 V CA 1.130 63.243 62.300 -0.311 0.000 1.025 654 V CB -0.678 30.890 31.823 -0.426 0.000 0.656 654 V HN 0.853 nan 8.190 nan 0.000 0.451 655 F N -0.767 119.181 119.950 -0.004 0.000 2.518 655 F HA 0.696 5.223 4.527 -0.001 0.000 0.323 655 F C 0.390 176.169 175.800 -0.034 0.000 1.129 655 F CA -0.966 57.020 58.000 -0.022 0.000 0.920 655 F CB 1.154 40.122 39.000 -0.054 0.000 1.160 655 F HN -0.008 nan 8.300 nan 0.000 0.440 656 A N 3.429 126.291 122.820 0.070 0.000 2.591 656 A HA 0.174 4.493 4.320 -0.001 0.000 0.244 656 A C -0.203 177.393 177.584 0.020 0.000 1.031 656 A CA 0.349 52.323 52.037 -0.105 0.000 0.767 656 A CB 0.017 18.763 19.000 -0.424 0.000 0.942 656 A HN 0.670 nan 8.150 nan 0.000 0.514 657 K N 2.496 122.926 120.400 0.050 0.000 2.345 657 K HA 0.478 4.797 4.320 -0.001 0.000 0.255 657 K C 0.156 176.790 176.600 0.057 0.000 0.934 657 K CA 0.057 56.377 56.287 0.055 0.000 0.801 657 K CB 0.978 33.515 32.500 0.062 0.000 1.137 657 K HN 0.720 nan 8.250 nan 0.000 0.424 658 D N 0.132 120.559 120.400 0.045 0.000 3.958 658 D HA -0.249 4.391 4.640 -0.001 0.000 0.210 658 D C -0.013 176.327 176.300 0.067 0.000 1.329 658 D CA 2.532 56.561 54.000 0.049 0.000 2.355 658 D CB -1.234 39.597 40.800 0.051 0.000 1.233 658 D HN 0.731 nan 8.370 nan 0.000 0.407 659 T N -1.610 113.005 114.554 0.102 0.000 2.907 659 T HA 0.636 4.985 4.350 -0.001 0.000 0.292 659 T C -0.125 174.698 174.700 0.205 0.000 1.043 659 T CA -0.371 61.822 62.100 0.154 0.000 1.003 659 T CB 2.828 71.803 68.868 0.178 0.000 1.084 659 T HN 0.489 nan 8.240 nan 0.000 0.483 660 V N 0.236 120.319 119.914 0.280 0.000 2.513 660 V HA 0.809 4.928 4.120 -0.001 0.000 0.299 660 V C 0.687 177.062 176.094 0.468 0.000 1.035 660 V CA -0.160 62.375 62.300 0.393 0.000 0.889 660 V CB 1.148 33.159 31.823 0.312 0.000 0.988 660 V HN 1.218 nan 8.190 nan 0.000 0.440 661 T N -1.097 113.758 114.554 0.501 0.000 3.145 661 T HA 0.403 4.752 4.350 -0.001 0.000 0.281 661 T C 0.245 174.955 174.700 0.016 0.000 1.003 661 T CA 0.370 62.547 62.100 0.129 0.000 0.901 661 T CB -0.615 68.242 68.868 -0.018 0.000 1.112 661 T HN 1.701 nan 8.240 nan 0.000 0.535 662 C N -0.760 118.605 119.300 0.109 0.000 3.292 662 C HA 0.762 5.222 4.460 -0.001 0.000 0.338 662 C C -0.512 174.552 174.990 0.124 0.000 1.323 662 C CA -1.207 57.851 59.018 0.066 0.000 1.232 662 C CB 0.920 28.666 27.740 0.010 0.000 1.517 662 C HN 0.155 nan 8.230 nan 0.000 0.470 663 V N 2.697 122.664 119.914 0.089 0.000 2.521 663 V HA 0.539 4.659 4.120 -0.001 0.000 0.286 663 V C 1.567 177.739 176.094 0.130 0.000 1.034 663 V CA 2.152 64.510 62.300 0.096 0.000 1.045 663 V CB 0.357 32.225 31.823 0.074 0.000 0.974 663 V HN 2.311 nan 8.190 nan 0.000 0.480 664 G N 3.037 111.930 108.800 0.155 0.000 2.194 664 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.236 664 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.236 664 G C 0.272 175.308 174.900 0.226 0.000 0.987 664 G CA 0.274 45.476 45.100 0.170 0.000 0.635 664 G HN 0.965 nan 8.290 nan 0.000 0.520 665 H N 0.643 119.785 119.070 0.121 0.000 2.964 665 H HA 0.386 4.942 4.556 -0.001 0.000 0.328 665 H C 0.724 176.149 175.328 0.162 0.000 1.030 665 H CA -0.425 55.701 56.048 0.129 0.000 1.445 665 H CB 0.216 30.056 29.762 0.131 0.000 1.449 665 H HN 0.268 nan 8.280 nan 0.000 0.581 666 I N 7.133 127.925 120.570 0.369 0.000 2.471 666 I HA -0.112 4.057 4.170 -0.001 0.000 0.286 666 I C 0.870 177.111 176.117 0.207 0.000 1.079 666 I CA 0.312 61.773 61.300 0.268 0.000 1.398 666 I CB 0.833 39.008 38.000 0.291 0.000 1.403 666 I HN 0.697 nan 8.210 nan 0.000 0.530 667 I N 4.437 125.115 120.570 0.180 0.000 3.172 667 I HA 0.289 4.458 4.170 -0.001 0.000 0.278 667 I C 1.169 177.273 176.117 -0.022 0.000 1.174 667 I CA 0.241 61.601 61.300 0.100 0.000 1.445 667 I CB 0.280 38.344 38.000 0.107 0.000 1.175 667 I HN 0.729 nan 8.210 nan 0.000 0.447 668 G N 0.230 108.938 108.800 -0.154 0.000 2.561 668 G HA2 0.758 4.717 3.960 -0.001 0.000 0.310 668 G HA3 0.758 4.717 3.960 -0.001 0.000 0.310 668 G C -2.064 172.554 174.900 -0.470 0.000 1.292 668 G CA 0.098 44.694 45.100 -0.841 0.000 0.811 668 G HN 0.195 nan 8.290 nan 0.000 0.482 669 A N -1.258 121.193 122.820 -0.615 0.000 2.566 669 A HA 0.722 5.042 4.320 -0.001 0.000 0.297 669 A C -1.337 176.202 177.584 -0.076 0.000 1.059 669 A CA -0.415 51.535 52.037 -0.145 0.000 0.691 669 A CB 1.654 20.649 19.000 -0.007 0.000 1.282 669 A HN 1.487 nan 8.150 nan 0.000 0.401 670 V N 1.640 121.631 119.914 0.128 0.000 2.472 670 V HA 0.529 4.649 4.120 -0.001 0.000 0.290 670 V C -0.144 175.963 176.094 0.022 0.000 1.037 670 V CA -0.458 61.920 62.300 0.130 0.000 0.908 670 V CB 1.532 33.514 31.823 0.264 0.000 0.985 670 V HN 0.684 nan 8.190 nan 0.000 0.454 671 V N 4.022 123.871 119.914 -0.108 0.000 2.459 671 V HA 0.935 5.055 4.120 -0.001 0.000 0.295 671 V C 0.290 176.307 176.094 -0.129 0.000 1.029 671 V CA -0.046 62.199 62.300 -0.093 0.000 0.874 671 V CB 1.231 32.969 31.823 -0.142 0.000 0.985 671 V HN 1.113 nan 8.190 nan 0.000 0.438 672 A N 3.020 125.856 122.820 0.027 0.000 2.529 672 A HA 0.672 4.992 4.320 -0.001 0.000 0.296 672 A C 0.436 178.135 177.584 0.192 0.000 1.205 672 A CA 0.055 52.134 52.037 0.069 0.000 0.671 672 A CB 1.254 20.345 19.000 0.152 0.000 1.301 672 A HN 0.717 nan 8.150 nan 0.000 0.450 673 D N -0.420 120.116 120.400 0.226 0.000 2.277 673 D HA 0.054 4.693 4.640 -0.001 0.000 0.208 673 D C 0.721 177.235 176.300 0.357 0.000 0.962 673 D CA 1.790 55.952 54.000 0.269 0.000 0.865 673 D CB -0.235 40.690 40.800 0.208 0.000 0.939 673 D HN 0.786 nan 8.370 nan 0.000 0.510 674 T N -4.802 109.876 114.554 0.206 0.000 2.883 674 T HA 0.433 4.783 4.350 -0.001 0.000 0.296 674 T C -2.440 172.057 174.700 -0.340 0.000 1.117 674 T CA -1.536 60.425 62.100 -0.231 0.000 1.006 674 T CB 2.684 71.336 68.868 -0.360 0.000 1.191 674 T HN -0.346 nan 8.240 nan 0.000 0.508 675 P HA 0.044 nan 4.420 nan 0.000 0.222 675 P C 0.925 178.126 177.300 -0.165 0.000 1.153 675 P CA 0.934 63.826 63.100 -0.347 0.000 0.798 675 P CB 0.215 31.663 31.700 -0.421 0.000 0.796 676 E N -0.528 119.529 120.200 -0.239 0.000 2.077 676 E HA -0.183 4.166 4.350 -0.001 0.000 0.193 676 E C 2.084 178.663 176.600 -0.034 0.000 0.989 676 E CA 1.256 57.560 56.400 -0.160 0.000 0.800 676 E CB -1.006 28.550 29.700 -0.240 0.000 0.746 676 E HN 0.524 nan 8.360 nan 0.000 0.452 677 H N -0.462 118.608 119.070 -0.000 0.000 2.353 677 H HA -0.006 4.550 4.556 -0.001 0.000 0.300 677 H C 2.003 177.387 175.328 0.094 0.000 1.090 677 H CA 0.665 56.746 56.048 0.056 0.000 1.327 677 H CB 0.024 29.828 29.762 0.070 0.000 1.383 677 H HN 0.216 nan 8.280 nan 0.000 0.508 678 A N 1.006 123.950 122.820 0.208 0.000 1.902 678 A HA -0.224 4.096 4.320 -0.001 0.000 0.217 678 A C 2.165 179.849 177.584 0.167 0.000 1.181 678 A CA 1.719 53.868 52.037 0.187 0.000 0.623 678 A CB -0.423 18.685 19.000 0.181 0.000 0.818 678 A HN 0.511 nan 8.150 nan 0.000 0.443 679 E N -0.283 119.988 120.200 0.118 0.000 2.023 679 E HA -0.237 4.113 4.350 -0.001 0.000 0.196 679 E C 2.325 179.000 176.600 0.125 0.000 1.003 679 E CA 1.415 57.872 56.400 0.095 0.000 0.809 679 E CB -0.119 29.595 29.700 0.024 0.000 0.755 679 E HN 0.586 nan 8.360 nan 0.000 0.449 680 R N -0.084 120.490 120.500 0.122 0.000 2.081 680 R HA -0.119 4.221 4.340 -0.001 0.000 0.235 680 R C 2.426 178.830 176.300 0.173 0.000 1.131 680 R CA 1.131 57.315 56.100 0.139 0.000 0.960 680 R CB -0.341 30.037 30.300 0.130 0.000 0.856 680 R HN 0.190 nan 8.270 nan 0.000 0.436 681 A N 1.329 124.261 122.820 0.187 0.000 1.902 681 A HA -0.113 4.206 4.320 -0.001 0.000 0.217 681 A C 2.401 180.095 177.584 0.182 0.000 1.181 681 A CA 1.657 53.810 52.037 0.193 0.000 0.623 681 A CB -0.705 18.496 19.000 0.334 0.000 0.818 681 A HN 0.398 nan 8.150 nan 0.000 0.443 682 A N -0.861 122.083 122.820 0.207 0.000 1.908 682 A HA -0.240 4.079 4.320 -0.001 0.000 0.218 682 A C 2.023 179.704 177.584 0.161 0.000 1.181 682 A CA 2.280 54.434 52.037 0.195 0.000 0.627 682 A CB -0.946 18.172 19.000 0.198 0.000 0.818 682 A HN 0.769 nan 8.150 nan 0.000 0.445 683 H N 0.207 119.323 119.070 0.077 0.000 2.387 683 H HA -0.079 4.477 4.556 -0.001 0.000 0.299 683 H C 1.591 176.939 175.328 0.032 0.000 1.099 683 H CA 2.158 58.239 56.048 0.056 0.000 1.315 683 H CB -0.119 29.670 29.762 0.045 0.000 1.380 683 H HN 0.364 nan 8.280 nan 0.000 0.513 684 V N -1.319 118.562 119.914 -0.055 0.000 3.514 684 V HA 0.285 4.404 4.120 -0.001 0.000 0.301 684 V C 0.576 176.587 176.094 -0.138 0.000 1.346 684 V CA -0.255 61.960 62.300 -0.142 0.000 1.156 684 V CB -0.417 31.367 31.823 -0.065 0.000 1.029 684 V HN 0.036 nan 8.190 nan 0.000 0.428 685 V N 2.168 122.011 119.914 -0.119 0.000 2.529 685 V HA 0.175 4.294 4.120 -0.001 0.000 0.292 685 V C 0.424 176.411 176.094 -0.178 0.000 1.028 685 V CA 0.285 62.472 62.300 -0.189 0.000 1.074 685 V CB 0.928 32.613 31.823 -0.230 0.000 0.958 685 V HN 0.617 nan 8.190 nan 0.000 0.481 686 K N 4.463 124.742 120.400 -0.202 0.000 2.293 686 K HA 0.587 4.907 4.320 -0.001 0.000 0.267 686 K C -1.261 175.219 176.600 -0.199 0.000 1.010 686 K CA -0.481 55.708 56.287 -0.163 0.000 0.875 686 K CB 1.475 33.893 32.500 -0.137 0.000 1.106 686 K HN 0.503 nan 8.250 nan 0.000 0.450 687 V N 3.666 123.454 119.914 -0.210 0.000 2.398 687 V HA 0.270 4.390 4.120 -0.001 0.000 0.286 687 V C -0.208 175.602 176.094 -0.474 0.000 1.026 687 V CA -0.735 61.327 62.300 -0.398 0.000 0.868 687 V CB 1.702 33.212 31.823 -0.521 0.000 0.982 687 V HN 0.790 nan 8.190 nan 0.000 0.443 688 T N 5.312 119.623 114.554 -0.405 0.000 2.767 688 T HA 0.619 4.969 4.350 -0.001 0.000 0.288 688 T C -0.805 173.694 174.700 -0.336 0.000 0.963 688 T CA 0.015 61.961 62.100 -0.257 0.000 1.019 688 T CB 0.371 69.163 68.868 -0.126 0.000 0.923 688 T HN 0.449 nan 8.240 nan 0.000 0.468 689 Y N 0.968 121.265 120.300 -0.006 0.000 2.549 689 Y HA 0.544 5.094 4.550 -0.001 0.000 0.339 689 Y C 0.577 176.474 175.900 -0.006 0.000 1.053 689 Y CA -1.179 56.920 58.100 -0.000 0.000 1.105 689 Y CB 1.533 40.000 38.460 0.011 0.000 1.258 689 Y HN 0.505 nan 8.280 nan 0.000 0.478 690 E N 1.889 122.189 120.200 0.167 0.000 2.255 690 E HA 0.176 4.525 4.350 -0.001 0.000 0.256 690 E C -1.516 175.118 176.600 0.056 0.000 0.887 690 E CA -0.778 55.672 56.400 0.083 0.000 0.782 690 E CB 0.798 30.520 29.700 0.037 0.000 1.214 690 E HN 0.622 nan 8.360 nan 0.000 0.417 691 D N 3.464 123.885 120.400 0.034 0.000 2.506 691 D HA 0.077 4.716 4.640 -0.001 0.000 0.234 691 D C 0.011 176.277 176.300 -0.057 0.000 1.143 691 D CA 0.757 54.752 54.000 -0.009 0.000 0.871 691 D CB 0.784 41.580 40.800 -0.008 0.000 1.190 691 D HN 0.404 nan 8.370 nan 0.000 0.459 692 L N 2.684 123.830 121.223 -0.128 0.000 2.319 692 L HA 0.396 4.735 4.340 -0.001 0.000 0.267 692 L C -2.228 174.585 176.870 -0.096 0.000 1.011 692 L CA -2.073 52.633 54.840 -0.224 0.000 0.818 692 L CB 1.846 43.522 42.059 -0.639 0.000 1.316 692 L HN 0.106 nan 8.230 nan 0.000 0.432 693 P HA 0.173 nan 4.420 nan 0.000 0.268 693 P C -1.232 176.181 177.300 0.188 0.000 1.204 693 P CA -0.133 62.999 63.100 0.053 0.000 0.768 693 P CB 0.818 32.536 31.700 0.030 0.000 0.842 694 A N 3.679 126.571 122.820 0.120 0.000 2.337 694 A HA 0.694 5.013 4.320 -0.001 0.000 0.329 694 A C -0.520 177.068 177.584 0.007 0.000 1.146 694 A CA -0.735 51.360 52.037 0.098 0.000 0.800 694 A CB 0.538 19.581 19.000 0.071 0.000 1.220 694 A HN 0.492 nan 8.150 nan 0.000 0.472 695 I N 3.716 124.257 120.570 -0.049 0.000 2.390 695 I HA 0.224 4.393 4.170 -0.001 0.000 0.283 695 I C 0.002 176.062 176.117 -0.094 0.000 1.016 695 I CA -0.343 60.908 61.300 -0.082 0.000 1.151 695 I CB 1.251 39.177 38.000 -0.123 0.000 1.293 695 I HN 0.580 nan 8.210 nan 0.000 0.458 696 I N 2.728 123.251 120.570 -0.079 0.000 2.899 696 I HA 0.033 4.203 4.170 -0.001 0.000 0.257 696 I C 1.541 177.596 176.117 -0.102 0.000 1.115 696 I CA 1.047 62.292 61.300 -0.092 0.000 1.451 696 I CB -0.500 37.456 38.000 -0.072 0.000 1.251 696 I HN 0.526 nan 8.210 nan 0.000 0.456 697 T N -1.259 113.247 114.554 -0.079 0.000 2.881 697 T HA 0.472 4.822 4.350 -0.001 0.000 0.278 697 T C 1.442 176.117 174.700 -0.041 0.000 0.982 697 T CA -0.466 61.597 62.100 -0.060 0.000 0.989 697 T CB 1.810 70.647 68.868 -0.052 0.000 1.058 697 T HN 0.045 nan 8.240 nan 0.000 0.529 698 I N 0.579 121.151 120.570 0.002 0.000 2.163 698 I HA -0.171 3.999 4.170 -0.001 0.000 0.243 698 I C 2.672 178.769 176.117 -0.033 0.000 1.085 698 I CA 1.590 62.905 61.300 0.026 0.000 1.347 698 I CB -0.412 37.649 38.000 0.101 0.000 1.044 698 I HN 0.726 nan 8.210 nan 0.000 0.408 699 E N 0.838 121.008 120.200 -0.050 0.000 2.058 699 E HA -0.239 4.111 4.350 -0.001 0.000 0.194 699 E C 1.833 178.386 176.600 -0.078 0.000 0.997 699 E CA 1.454 57.809 56.400 -0.074 0.000 0.801 699 E CB -0.259 29.404 29.700 -0.062 0.000 0.746 699 E HN 0.375 nan 8.360 nan 0.000 0.450 700 D N -0.253 120.103 120.400 -0.073 0.000 2.133 700 D HA -0.164 4.476 4.640 -0.001 0.000 0.195 700 D C 1.767 177.993 176.300 -0.123 0.000 0.997 700 D CA 1.596 55.546 54.000 -0.084 0.000 0.840 700 D CB -0.296 40.457 40.800 -0.077 0.000 0.947 700 D HN 0.232 nan 8.370 nan 0.000 0.452 701 A N 0.281 123.020 122.820 -0.136 0.000 1.898 701 A HA -0.045 4.274 4.320 -0.001 0.000 0.214 701 A C 2.382 179.761 177.584 -0.343 0.000 1.183 701 A CA 0.541 52.437 52.037 -0.234 0.000 0.622 701 A CB -0.541 18.356 19.000 -0.171 0.000 0.824 701 A HN 0.177 nan 8.150 nan 0.000 0.444 702 I N -0.240 120.247 120.570 -0.138 0.000 2.226 702 I HA -0.278 3.892 4.170 -0.001 0.000 0.245 702 I C 2.558 178.622 176.117 -0.088 0.000 1.100 702 I CA 1.872 63.160 61.300 -0.020 0.000 1.374 702 I CB -0.215 37.761 38.000 -0.041 0.000 1.057 702 I HN 0.382 nan 8.210 nan 0.000 0.413 703 K N 1.116 121.454 120.400 -0.104 0.000 2.057 703 K HA -0.138 4.182 4.320 -0.001 0.000 0.206 703 K C 1.274 177.813 176.600 -0.102 0.000 1.050 703 K CA 1.401 57.641 56.287 -0.079 0.000 0.935 703 K CB -0.013 32.444 32.500 -0.071 0.000 0.715 703 K HN 0.386 nan 8.250 nan 0.000 0.439 704 N N 1.423 120.027 118.700 -0.160 0.000 2.268 704 N HA -0.060 4.680 4.740 -0.001 0.000 0.204 704 N C -0.452 174.906 175.510 -0.252 0.000 1.124 704 N CA 0.066 53.013 53.050 -0.171 0.000 0.838 704 N CB 0.155 38.549 38.487 -0.155 0.000 0.994 704 N HN 0.204 nan 8.380 nan 0.000 0.489 705 N N 1.012 119.503 118.700 -0.348 0.000 2.714 705 N HA -0.193 4.546 4.740 -0.001 0.000 0.252 705 N C -0.959 174.154 175.510 -0.661 0.000 1.014 705 N CA 0.325 53.088 53.050 -0.478 0.000 0.735 705 N CB -1.098 37.311 38.487 -0.130 0.000 0.924 705 N HN 0.052 nan 8.380 nan 0.000 0.540 706 S N 1.130 116.291 115.700 -0.898 0.000 2.695 706 S HA 0.565 5.035 4.470 -0.001 0.000 0.275 706 S C -0.639 173.503 174.600 -0.764 0.000 1.203 706 S CA -0.568 57.245 58.200 -0.646 0.000 1.061 706 S CB -0.301 62.642 63.200 -0.428 0.000 1.152 706 S HN 0.302 nan 8.310 nan 0.000 0.495 707 F N 2.025 121.859 119.950 -0.193 0.000 2.593 707 F HA 0.485 5.011 4.527 -0.001 0.000 0.320 707 F C -0.511 175.123 175.800 -0.276 0.000 1.060 707 F CA -1.371 56.504 58.000 -0.207 0.000 0.940 707 F CB 1.298 40.259 39.000 -0.066 0.000 1.268 707 F HN 0.266 nan 8.300 nan 0.000 0.475 708 Y N 1.225 121.640 120.300 0.191 0.000 2.367 708 Y HA 0.486 5.036 4.550 -0.001 0.000 0.342 708 Y C 0.820 176.752 175.900 0.053 0.000 0.979 708 Y CA 0.003 58.143 58.100 0.068 0.000 1.161 708 Y CB 0.902 39.363 38.460 0.001 0.000 1.155 708 Y HN 0.893 nan 8.280 nan 0.000 0.503 709 G N 2.201 111.116 108.800 0.191 0.000 2.598 709 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.244 709 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.244 709 G C -0.371 174.578 174.900 0.081 0.000 1.302 709 G CA -0.308 44.853 45.100 0.101 0.000 0.903 709 G HN 0.923 nan 8.290 nan 0.000 0.575 710 S N -1.094 114.628 115.700 0.036 0.000 2.759 710 S HA 0.701 5.171 4.470 -0.001 0.000 0.310 710 S C -0.004 174.553 174.600 -0.071 0.000 1.123 710 S CA 0.292 58.486 58.200 -0.010 0.000 0.959 710 S CB 2.041 65.242 63.200 0.002 0.000 1.172 710 S HN 1.178 nan 8.310 nan 0.000 0.539 711 E N -0.049 120.081 120.200 -0.117 0.000 2.414 711 E HA 0.197 4.547 4.350 -0.001 0.000 0.263 711 E C -1.071 175.442 176.600 -0.144 0.000 1.000 711 E CA -0.216 56.082 56.400 -0.171 0.000 0.914 711 E CB 0.294 29.904 29.700 -0.151 0.000 0.948 711 E HN 0.494 nan 8.360 nan 0.000 0.444 712 L N 4.068 125.166 121.223 -0.207 0.000 2.375 712 L HA 0.504 4.844 4.340 -0.001 0.000 0.268 712 L C -0.010 176.790 176.870 -0.117 0.000 1.058 712 L CA -0.388 54.311 54.840 -0.235 0.000 0.803 712 L CB 1.239 43.034 42.059 -0.439 0.000 1.212 712 L HN 0.553 nan 8.230 nan 0.000 0.451 713 K N 2.403 122.799 120.400 -0.007 0.000 2.561 713 K HA 0.544 4.863 4.320 -0.001 0.000 0.254 713 K C -1.888 174.860 176.600 0.248 0.000 0.942 713 K CA -0.454 55.894 56.287 0.101 0.000 0.818 713 K CB 1.655 34.197 32.500 0.071 0.000 1.306 713 K HN 0.462 nan 8.250 nan 0.000 0.435 714 I N 2.759 123.463 120.570 0.224 0.000 2.466 714 I HA 0.372 4.541 4.170 -0.001 0.000 0.289 714 I C -0.861 175.380 176.117 0.206 0.000 1.026 714 I CA -0.674 60.771 61.300 0.240 0.000 1.078 714 I CB 2.092 40.243 38.000 0.252 0.000 1.249 714 I HN 0.638 nan 8.210 nan 0.000 0.429 715 E N 6.286 126.590 120.200 0.173 0.000 2.290 715 E HA 0.472 4.821 4.350 -0.001 0.000 0.274 715 E C -1.505 175.166 176.600 0.119 0.000 0.889 715 E CA -0.797 55.684 56.400 0.135 0.000 0.760 715 E CB 2.777 32.539 29.700 0.103 0.000 1.206 715 E HN 0.540 nan 8.360 nan 0.000 0.419 716 K N 2.821 123.284 120.400 0.106 0.000 2.469 716 K HA 0.678 4.997 4.320 -0.001 0.000 0.254 716 K C 0.049 176.674 176.600 0.042 0.000 0.939 716 K CA 0.229 56.562 56.287 0.078 0.000 0.812 716 K CB 1.665 34.223 32.500 0.097 0.000 1.301 716 K HN 0.693 nan 8.250 nan 0.000 0.433 717 G N 2.059 110.873 108.800 0.023 0.000 2.539 717 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.256 717 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.256 717 G C -1.129 173.771 174.900 0.000 0.000 1.233 717 G CA 0.255 45.356 45.100 0.000 0.000 0.936 717 G HN 0.704 nan 8.290 nan 0.000 0.571 718 D N 0.291 120.680 120.400 -0.019 0.000 2.389 718 D HA 0.494 5.134 4.640 -0.001 0.000 0.256 718 D C 1.583 177.869 176.300 -0.023 0.000 1.239 718 D CA -0.479 53.516 54.000 -0.009 0.000 0.925 718 D CB 0.762 41.556 40.800 -0.010 0.000 1.145 718 D HN 0.324 nan 8.370 nan 0.000 0.542 719 L N 2.827 124.055 121.223 0.009 0.000 2.056 719 L HA -0.070 4.270 4.340 -0.001 0.000 0.207 719 L C 2.404 179.342 176.870 0.113 0.000 1.078 719 L CA 0.862 55.714 54.840 0.020 0.000 0.749 719 L CB -0.010 42.133 42.059 0.141 0.000 0.901 719 L HN 0.348 nan 8.230 nan 0.000 0.433 720 K N 0.783 121.258 120.400 0.126 0.000 2.057 720 K HA -0.265 4.055 4.320 -0.001 0.000 0.207 720 K C 2.190 178.851 176.600 0.100 0.000 1.049 720 K CA 1.744 58.117 56.287 0.143 0.000 0.931 720 K CB 0.072 32.620 32.500 0.080 0.000 0.714 720 K HN 0.092 nan 8.250 nan 0.000 0.440 721 K N -0.297 120.126 120.400 0.038 0.000 2.062 721 K HA -0.048 4.272 4.320 -0.001 0.000 0.205 721 K C 2.043 178.626 176.600 -0.028 0.000 1.051 721 K CA 1.447 57.738 56.287 0.007 0.000 0.941 721 K CB -0.367 32.129 32.500 -0.008 0.000 0.719 721 K HN 0.240 nan 8.250 nan 0.000 0.440 722 G N 0.270 109.016 108.800 -0.089 0.000 2.418 722 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.217 722 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.217 722 G C 1.269 176.039 174.900 -0.217 0.000 1.158 722 G CA 0.788 45.772 45.100 -0.194 0.000 0.771 722 G HN 0.318 nan 8.290 nan 0.000 0.545 723 F N 1.437 121.360 119.950 -0.046 0.000 2.216 723 F HA -0.064 4.463 4.527 -0.001 0.000 0.300 723 F C 3.088 178.854 175.800 -0.057 0.000 1.085 723 F CA 1.132 59.099 58.000 -0.055 0.000 1.326 723 F CB 0.025 38.996 39.000 -0.048 0.000 1.027 723 F HN 0.078 nan 8.300 nan 0.000 0.497 724 S N -0.330 115.436 115.700 0.110 0.000 2.368 724 S HA -0.190 4.279 4.470 -0.001 0.000 0.225 724 S C 1.793 176.398 174.600 0.007 0.000 1.030 724 S CA 1.265 59.493 58.200 0.046 0.000 0.999 724 S CB -0.295 62.921 63.200 0.026 0.000 0.844 724 S HN 0.439 nan 8.310 nan 0.000 0.459 725 E N 0.968 121.159 120.200 -0.015 0.000 2.274 725 E HA 0.131 4.481 4.350 -0.001 0.000 0.194 725 E C 0.689 177.259 176.600 -0.051 0.000 0.996 725 E CA 0.177 56.555 56.400 -0.037 0.000 0.840 725 E CB -0.008 29.660 29.700 -0.052 0.000 0.772 725 E HN 0.431 nan 8.360 nan 0.000 0.491 726 A N 1.647 124.433 122.820 -0.057 0.000 2.477 726 A HA -0.036 4.284 4.320 -0.001 0.000 0.246 726 A C 0.501 178.014 177.584 -0.118 0.000 1.078 726 A CA -0.277 51.703 52.037 -0.096 0.000 0.770 726 A CB 0.339 19.279 19.000 -0.100 0.000 1.011 726 A HN -0.003 nan 8.150 nan 0.000 0.494 727 D N 0.858 121.167 120.400 -0.152 0.000 2.144 727 D HA -0.064 4.575 4.640 -0.001 0.000 0.199 727 D C 0.091 176.249 176.300 -0.236 0.000 0.984 727 D CA 1.522 55.426 54.000 -0.160 0.000 0.834 727 D CB 0.068 40.790 40.800 -0.131 0.000 0.955 727 D HN 0.568 nan 8.370 nan 0.000 0.465 728 N N -0.616 117.821 118.700 -0.439 0.000 2.264 728 N HA 0.339 5.079 4.740 -0.001 0.000 0.288 728 N C -1.358 173.770 175.510 -0.635 0.000 1.094 728 N CA -0.409 52.266 53.050 -0.626 0.000 0.817 728 N CB 3.309 41.107 38.487 -1.148 0.000 1.604 728 N HN -0.273 nan 8.380 nan 0.000 0.473 729 V N 1.563 121.306 119.914 -0.284 0.000 2.577 729 V HA 0.470 4.590 4.120 -0.001 0.000 0.303 729 V C -0.506 175.650 176.094 0.103 0.000 1.042 729 V CA -0.689 61.599 62.300 -0.021 0.000 0.872 729 V CB 2.187 34.017 31.823 0.012 0.000 0.998 729 V HN 0.349 nan 8.190 nan 0.000 0.423 730 V N 4.290 124.382 119.914 0.298 0.000 2.540 730 V HA 0.748 4.868 4.120 -0.001 0.000 0.302 730 V C -0.003 176.164 176.094 0.122 0.000 1.035 730 V CA -0.272 62.181 62.300 0.254 0.000 0.873 730 V CB 2.281 34.339 31.823 0.392 0.000 0.992 730 V HN 1.014 nan 8.190 nan 0.000 0.428 731 S N 3.208 118.889 115.700 -0.032 0.000 2.599 731 S HA 1.022 5.492 4.470 -0.001 0.000 0.294 731 S C -0.257 174.095 174.600 -0.412 0.000 1.094 731 S CA -0.074 57.978 58.200 -0.247 0.000 0.931 731 S CB 2.420 65.499 63.200 -0.201 0.000 1.093 731 S HN 1.352 nan 8.310 nan 0.000 0.488 732 G N -0.002 108.251 108.800 -0.912 0.000 2.554 732 G HA2 0.556 4.516 3.960 -0.001 0.000 0.306 732 G HA3 0.556 4.516 3.960 -0.001 0.000 0.306 732 G C -2.068 172.501 174.900 -0.552 0.000 1.320 732 G CA -0.685 44.021 45.100 -0.657 0.000 0.800 732 G HN 0.936 nan 8.290 nan 0.000 0.481 733 E N -1.197 118.982 120.200 -0.034 0.000 2.340 733 E HA 0.694 5.044 4.350 -0.001 0.000 0.273 733 E C -2.059 174.757 176.600 0.359 0.000 0.891 733 E CA -0.754 55.755 56.400 0.181 0.000 0.757 733 E CB 2.579 32.342 29.700 0.105 0.000 1.231 733 E HN 0.482 nan 8.360 nan 0.000 0.439 734 L N 3.771 125.234 121.223 0.400 0.000 2.472 734 L HA 0.531 4.871 4.340 -0.001 0.000 0.260 734 L C -2.114 175.007 176.870 0.417 0.000 0.963 734 L CA -0.620 54.449 54.840 0.382 0.000 0.829 734 L CB 1.927 44.168 42.059 0.303 0.000 1.348 734 L HN 0.674 nan 8.230 nan 0.000 0.408 735 Y N 4.812 125.286 120.300 0.289 0.000 2.425 735 Y HA 0.723 5.273 4.550 -0.001 0.000 0.344 735 Y C -1.375 174.679 175.900 0.257 0.000 0.969 735 Y CA -0.865 57.390 58.100 0.258 0.000 1.052 735 Y CB 1.710 40.282 38.460 0.187 0.000 1.215 735 Y HN 0.621 nan 8.280 nan 0.000 0.451 736 I N 5.824 126.104 120.570 -0.483 0.000 2.447 736 I HA 0.665 4.834 4.170 -0.001 0.000 0.287 736 I C 0.068 175.747 176.117 -0.730 0.000 1.023 736 I CA -0.549 60.480 61.300 -0.451 0.000 1.083 736 I CB 1.033 38.867 38.000 -0.276 0.000 1.245 736 I HN 0.857 nan 8.210 nan 0.000 0.434 737 G N 4.441 113.022 108.800 -0.365 0.000 2.634 737 G HA2 0.446 4.406 3.960 -0.001 0.000 0.255 737 G HA3 0.446 4.406 3.960 -0.001 0.000 0.255 737 G C 0.332 175.152 174.900 -0.133 0.000 1.205 737 G CA -0.013 45.029 45.100 -0.097 0.000 0.884 737 G HN 0.850 nan 8.290 nan 0.000 0.549 738 G N -1.578 107.217 108.800 -0.007 0.000 2.516 738 G HA2 0.489 4.449 3.960 -0.001 0.000 0.276 738 G HA3 0.489 4.449 3.960 -0.001 0.000 0.276 738 G C -0.283 174.565 174.900 -0.086 0.000 1.390 738 G CA -0.225 44.861 45.100 -0.022 0.000 1.050 738 G HN 0.707 nan 8.290 nan 0.000 0.519 739 Q N -1.191 118.557 119.800 -0.086 0.000 2.378 739 Q HA 0.237 4.576 4.340 -0.001 0.000 0.262 739 Q C -2.133 173.908 176.000 0.068 0.000 0.978 739 Q CA -0.613 55.125 55.803 -0.108 0.000 0.918 739 Q CB 2.284 30.668 28.738 -0.591 0.000 1.415 739 Q HN 0.622 nan 8.270 nan 0.000 0.409 740 D N 0.174 120.629 120.400 0.093 0.000 2.210 740 D HA 0.208 4.848 4.640 -0.001 0.000 0.249 740 D C 0.534 176.941 176.300 0.179 0.000 1.078 740 D CA -0.007 53.997 54.000 0.007 0.000 0.875 740 D CB 0.933 41.532 40.800 -0.336 0.000 1.175 740 D HN 0.582 nan 8.370 nan 0.000 0.440 741 H N 2.907 121.941 119.070 -0.060 0.000 2.387 741 H HA -0.010 4.545 4.556 -0.001 0.000 0.299 741 H C 0.461 175.592 175.328 -0.328 0.000 1.090 741 H CA 1.010 56.768 56.048 -0.483 0.000 1.332 741 H CB -0.205 29.061 29.762 -0.826 0.000 1.386 741 H HN 0.517 nan 8.280 nan 0.000 0.516 742 F N 0.715 120.415 119.950 -0.416 0.000 3.004 742 F HA -0.285 4.241 4.527 -0.001 0.000 0.264 742 F C -0.664 175.051 175.800 -0.141 0.000 0.979 742 F CA -0.559 57.308 58.000 -0.222 0.000 0.896 742 F CB -1.652 37.366 39.000 0.030 0.000 0.813 742 F HN 0.144 nan 8.300 nan 0.000 0.804 743 Y N -0.497 119.949 120.300 0.243 0.000 2.712 743 Y HA 0.094 4.644 4.550 -0.001 0.000 0.333 743 Y C 1.102 177.032 175.900 0.050 0.000 1.225 743 Y CA -1.081 57.178 58.100 0.265 0.000 1.499 743 Y CB 0.020 38.501 38.460 0.035 0.000 1.288 743 Y HN 0.110 nan 8.280 nan 0.000 0.575 744 L N 1.150 122.546 121.223 0.288 0.000 2.093 744 L HA -0.076 4.263 4.340 -0.001 0.000 0.208 744 L C 1.112 177.957 176.870 -0.042 0.000 1.085 744 L CA 1.405 56.391 54.840 0.244 0.000 0.755 744 L CB -0.616 41.685 42.059 0.404 0.000 0.904 744 L HN 0.861 nan 8.230 nan 0.000 0.435 745 E N 1.031 120.837 120.200 -0.656 0.000 2.105 745 E HA 0.116 4.466 4.350 -0.001 0.000 0.285 745 E C 0.014 176.318 176.600 -0.494 0.000 1.055 745 E CA -0.272 55.443 56.400 -1.142 0.000 0.843 745 E CB 0.842 29.491 29.700 -1.751 0.000 1.067 745 E HN 0.276 nan 8.360 nan 0.000 0.398 746 T N 1.785 116.177 114.554 -0.269 0.000 2.667 746 T HA 0.028 4.378 4.350 -0.001 0.000 0.305 746 T C 0.646 175.137 174.700 -0.348 0.000 1.022 746 T CA -0.435 61.560 62.100 -0.175 0.000 0.995 746 T CB 0.349 69.231 68.868 0.023 0.000 1.026 746 T HN 0.442 nan 8.240 nan 0.000 0.527 747 H N -0.850 118.079 119.070 -0.234 0.000 2.897 747 H HA 0.321 4.876 4.556 -0.001 0.000 0.347 747 H C 0.067 175.335 175.328 -0.099 0.000 1.068 747 H CA 0.183 56.109 56.048 -0.204 0.000 1.426 747 H CB 0.470 30.163 29.762 -0.114 0.000 1.410 747 H HN 0.744 nan 8.280 nan 0.000 0.597 748 C N 3.142 122.457 119.300 0.025 0.000 3.006 748 C HA 0.404 4.864 4.460 -0.001 0.000 0.359 748 C C -0.703 174.325 174.990 0.063 0.000 1.103 748 C CA -0.227 58.819 59.018 0.048 0.000 1.286 748 C CB 1.107 28.861 27.740 0.023 0.000 1.694 748 C HN 0.882 nan 8.230 nan 0.000 0.511 749 T N 5.760 120.364 114.554 0.083 0.000 2.933 749 T HA 0.601 4.950 4.350 -0.001 0.000 0.305 749 T C -1.029 173.737 174.700 0.109 0.000 1.092 749 T CA -0.237 61.918 62.100 0.091 0.000 1.008 749 T CB 1.238 70.148 68.868 0.070 0.000 1.102 749 T HN 0.582 nan 8.240 nan 0.000 0.469 750 I N 2.199 122.865 120.570 0.159 0.000 2.404 750 I HA 0.687 4.857 4.170 -0.001 0.000 0.293 750 I C 0.007 176.242 176.117 0.197 0.000 0.992 750 I CA -0.951 60.456 61.300 0.179 0.000 1.149 750 I CB 1.630 39.772 38.000 0.235 0.000 1.315 750 I HN 0.687 nan 8.210 nan 0.000 0.446 751 A N 7.801 130.699 122.820 0.131 0.000 2.304 751 A HA 0.750 5.070 4.320 -0.001 0.000 0.314 751 A C -0.680 176.965 177.584 0.102 0.000 1.187 751 A CA -0.465 51.630 52.037 0.096 0.000 0.810 751 A CB 0.616 19.652 19.000 0.060 0.000 1.183 751 A HN 0.528 nan 8.150 nan 0.000 0.487 752 I N 4.770 125.401 120.570 0.102 0.000 2.354 752 I HA 0.319 4.489 4.170 -0.001 0.000 0.286 752 I C -2.452 173.670 176.117 0.008 0.000 1.007 752 I CA -2.560 58.777 61.300 0.063 0.000 1.167 752 I CB 1.265 39.343 38.000 0.130 0.000 1.320 752 I HN 0.364 nan 8.210 nan 0.000 0.458 753 P HA 0.233 nan 4.420 nan 0.000 0.282 753 P C 0.121 177.394 177.300 -0.045 0.000 1.262 753 P CA -0.469 62.625 63.100 -0.010 0.000 0.773 753 P CB 1.376 33.075 31.700 -0.002 0.000 0.879 754 K N 2.246 122.629 120.400 -0.028 0.000 2.365 754 K HA 0.089 4.409 4.320 -0.001 0.000 0.197 754 K C 1.522 178.096 176.600 -0.043 0.000 1.042 754 K CA 0.894 57.157 56.287 -0.041 0.000 0.987 754 K CB -0.706 31.781 32.500 -0.023 0.000 0.779 754 K HN 0.828 nan 8.250 nan 0.000 0.484 755 G N 1.482 110.262 108.800 -0.032 0.000 2.176 755 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.253 755 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.253 755 G C -0.216 174.672 174.900 -0.019 0.000 0.979 755 G CA 0.080 45.159 45.100 -0.035 0.000 0.641 755 G HN 0.366 nan 8.290 nan 0.000 0.530 756 E N 0.233 120.427 120.200 -0.009 0.000 2.218 756 E HA 0.453 4.803 4.350 -0.001 0.000 0.263 756 E C 0.118 176.722 176.600 0.005 0.000 0.879 756 E CA -0.819 55.578 56.400 -0.004 0.000 0.762 756 E CB 1.010 30.705 29.700 -0.008 0.000 1.166 756 E HN 0.140 nan 8.360 nan 0.000 0.415 757 E N 1.316 121.522 120.200 0.010 0.000 2.586 757 E HA -0.267 4.083 4.350 -0.001 0.000 0.259 757 E C 0.704 177.317 176.600 0.022 0.000 1.107 757 E CA 1.174 57.582 56.400 0.014 0.000 0.754 757 E CB -1.491 28.213 29.700 0.006 0.000 1.335 757 E HN 1.133 nan 8.360 nan 0.000 0.411 758 G N -0.022 108.802 108.800 0.040 0.000 2.175 758 G HA2 -0.387 3.572 3.960 -0.001 0.000 0.265 758 G HA3 -0.387 3.572 3.960 -0.001 0.000 0.265 758 G C 0.189 175.112 174.900 0.038 0.000 0.979 758 G CA 0.875 46.010 45.100 0.059 0.000 0.663 758 G HN 0.440 nan 8.290 nan 0.000 0.533 759 E N -0.451 119.760 120.200 0.019 0.000 2.442 759 E HA 0.416 4.765 4.350 -0.001 0.000 0.262 759 E C 0.384 176.987 176.600 0.006 0.000 1.004 759 E CA 0.538 56.940 56.400 0.004 0.000 0.928 759 E CB 0.605 30.302 29.700 -0.005 0.000 0.937 759 E HN 0.470 nan 8.360 nan 0.000 0.446 760 M N 2.189 121.784 119.600 -0.008 0.000 2.371 760 M HA 0.211 4.691 4.480 -0.001 0.000 0.287 760 M C -1.729 174.543 176.300 -0.047 0.000 1.149 760 M CA -0.416 54.877 55.300 -0.011 0.000 0.929 760 M CB 2.196 34.800 32.600 0.007 0.000 1.683 760 M HN 0.473 nan 8.290 nan 0.000 0.470 761 E N 4.106 124.269 120.200 -0.061 0.000 2.199 761 E HA 0.617 4.967 4.350 -0.001 0.000 0.265 761 E C -2.109 174.359 176.600 -0.221 0.000 0.882 761 E CA -0.635 55.672 56.400 -0.154 0.000 0.759 761 E CB 1.473 31.099 29.700 -0.123 0.000 1.148 761 E HN 0.588 nan 8.360 nan 0.000 0.412 762 L N 4.042 125.064 121.223 -0.336 0.000 2.354 762 L HA 0.528 4.867 4.340 -0.001 0.000 0.269 762 L C -1.021 175.528 176.870 -0.535 0.000 1.005 762 L CA -0.493 54.188 54.840 -0.265 0.000 0.819 762 L CB 1.250 43.250 42.059 -0.099 0.000 1.311 762 L HN 0.497 nan 8.230 nan 0.000 0.423 763 F N 1.791 121.751 119.950 0.016 0.000 2.426 763 F HA 0.751 5.278 4.527 -0.000 0.000 0.348 763 F C -0.182 175.621 175.800 0.005 0.000 1.124 763 F CA -0.908 57.098 58.000 0.010 0.000 1.008 763 F CB 1.788 40.799 39.000 0.020 0.000 1.139 763 F HN 0.011 nan 8.300 nan 0.000 0.452 764 V N 1.663 121.644 119.914 0.112 0.000 2.733 764 V HA 0.271 4.391 4.120 -0.001 0.000 0.306 764 V C -0.347 175.757 176.094 0.015 0.000 1.084 764 V CA -1.011 61.319 62.300 0.049 0.000 0.905 764 V CB 2.099 33.922 31.823 -0.000 0.000 1.010 764 V HN 0.704 nan 8.190 nan 0.000 0.424 765 S N 3.153 118.843 115.700 -0.016 0.000 3.065 765 S HA 0.404 4.874 4.470 -0.001 0.000 0.311 765 S C -0.044 174.476 174.600 -0.132 0.000 1.204 765 S CA 0.173 58.316 58.200 -0.095 0.000 1.040 765 S CB -0.395 62.697 63.200 -0.181 0.000 1.436 765 S HN 0.961 nan 8.310 nan 0.000 0.532 766 T N 3.305 117.796 114.554 -0.105 0.000 2.956 766 T HA 0.330 4.679 4.350 -0.001 0.000 0.312 766 T C 0.248 174.889 174.700 -0.098 0.000 1.151 766 T CA -0.588 61.453 62.100 -0.098 0.000 1.024 766 T CB 1.578 70.411 68.868 -0.059 0.000 1.140 766 T HN 0.540 nan 8.240 nan 0.000 0.473 767 Q N 2.084 121.829 119.800 -0.092 0.000 2.444 767 Q HA 0.228 4.568 4.340 -0.001 0.000 0.206 767 Q C 0.101 176.076 176.000 -0.041 0.000 0.948 767 Q CA 0.064 55.826 55.803 -0.068 0.000 0.946 767 Q CB 0.200 28.908 28.738 -0.051 0.000 1.027 767 Q HN 0.331 nan 8.270 nan 0.000 0.513 768 N N -0.274 118.393 118.700 -0.055 0.000 2.725 768 N HA 0.253 4.993 4.740 -0.001 0.000 0.248 768 N C -0.405 175.050 175.510 -0.092 0.000 1.402 768 N CA -0.038 52.973 53.050 -0.064 0.000 0.766 768 N CB 0.894 39.338 38.487 -0.071 0.000 1.223 768 N HN 0.072 nan 8.380 nan 0.000 0.515 769 A N 2.624 125.396 122.820 -0.080 0.000 1.969 769 A HA -0.119 4.201 4.320 -0.001 0.000 0.218 769 A C 2.089 179.614 177.584 -0.099 0.000 1.169 769 A CA 1.037 53.022 52.037 -0.088 0.000 0.635 769 A CB -0.279 18.672 19.000 -0.081 0.000 0.810 769 A HN 0.674 nan 8.150 nan 0.000 0.445 770 M N -1.152 118.392 119.600 -0.092 0.000 2.077 770 M HA -0.141 4.339 4.480 -0.001 0.000 0.261 770 M C 1.833 178.035 176.300 -0.163 0.000 1.070 770 M CA 1.844 57.087 55.300 -0.094 0.000 1.125 770 M CB -0.129 32.433 32.600 -0.063 0.000 1.339 770 M HN 0.100 nan 8.290 nan 0.000 0.409 771 K N 0.243 120.494 120.400 -0.248 0.000 2.097 771 K HA -0.048 4.272 4.320 -0.001 0.000 0.206 771 K C 1.907 178.200 176.600 -0.512 0.000 1.049 771 K CA 1.853 57.841 56.287 -0.498 0.000 0.933 771 K CB -1.074 31.050 32.500 -0.628 0.000 0.717 771 K HN 0.453 nan 8.250 nan 0.000 0.442 772 T N 1.358 115.742 114.554 -0.284 0.000 2.684 772 T HA -0.202 4.148 4.350 -0.001 0.000 0.267 772 T C 1.878 176.527 174.700 -0.085 0.000 1.036 772 T CA 1.631 63.638 62.100 -0.155 0.000 1.148 772 T CB -0.104 68.707 68.868 -0.096 0.000 0.863 772 T HN 0.384 nan 8.240 nan 0.000 0.436 773 Q N 0.912 120.656 119.800 -0.092 0.000 2.030 773 Q HA -0.172 4.168 4.340 -0.001 0.000 0.204 773 Q C 2.541 178.529 176.000 -0.020 0.000 0.986 773 Q CA 2.182 57.952 55.803 -0.055 0.000 0.843 773 Q CB -0.260 28.441 28.738 -0.063 0.000 0.904 773 Q HN 0.637 nan 8.270 nan 0.000 0.420 774 S N -0.503 115.179 115.700 -0.030 0.000 2.368 774 S HA -0.114 4.356 4.470 -0.001 0.000 0.224 774 S C 1.795 176.513 174.600 0.195 0.000 1.029 774 S CA 0.910 59.134 58.200 0.040 0.000 0.988 774 S CB -0.547 62.658 63.200 0.010 0.000 0.838 774 S HN 0.405 nan 8.310 nan 0.000 0.462 775 F N 1.712 121.630 119.950 -0.052 0.000 2.234 775 F HA 0.151 4.678 4.527 -0.001 0.000 0.299 775 F C 2.569 178.326 175.800 -0.072 0.000 1.087 775 F CA -0.443 57.521 58.000 -0.060 0.000 1.340 775 F CB -1.105 37.862 39.000 -0.056 0.000 1.031 775 F HN 0.114 nan 8.300 nan 0.000 0.500 776 V N -0.193 119.803 119.914 0.138 0.000 2.323 776 V HA -0.218 3.902 4.120 -0.001 0.000 0.244 776 V C 2.637 178.729 176.094 -0.003 0.000 1.041 776 V CA 1.503 63.823 62.300 0.034 0.000 1.025 776 V CB -1.254 30.576 31.823 0.013 0.000 0.656 776 V HN 0.282 nan 8.190 nan 0.000 0.451 777 A N -0.152 122.672 122.820 0.007 0.000 1.892 777 A HA -0.328 3.991 4.320 -0.001 0.000 0.218 777 A C 2.321 179.887 177.584 -0.030 0.000 1.188 777 A CA 2.508 54.536 52.037 -0.015 0.000 0.631 777 A CB -0.553 18.443 19.000 -0.006 0.000 0.822 777 A HN 0.520 nan 8.150 nan 0.000 0.447 778 K N -1.242 119.154 120.400 -0.007 0.000 2.057 778 K HA -0.133 4.187 4.320 -0.001 0.000 0.207 778 K C 2.143 178.694 176.600 -0.081 0.000 1.049 778 K CA 1.583 57.847 56.287 -0.039 0.000 0.931 778 K CB -0.206 32.273 32.500 -0.035 0.000 0.714 778 K HN 0.474 nan 8.250 nan 0.000 0.440 779 M N 0.859 120.405 119.600 -0.092 0.000 2.175 779 M HA -0.109 4.370 4.480 -0.001 0.000 0.264 779 M C 1.483 177.684 176.300 -0.165 0.000 1.063 779 M CA 1.576 56.797 55.300 -0.131 0.000 1.119 779 M CB -0.195 32.323 32.600 -0.136 0.000 1.377 779 M HN 0.202 nan 8.290 nan 0.000 0.415 780 L N -0.292 120.829 121.223 -0.170 0.000 2.509 780 L HA 0.160 4.499 4.340 -0.001 0.000 0.222 780 L C 1.237 177.980 176.870 -0.212 0.000 1.123 780 L CA 0.466 55.147 54.840 -0.265 0.000 0.856 780 L CB -0.569 41.358 42.059 -0.221 0.000 0.985 780 L HN 0.585 nan 8.230 nan 0.000 0.456 781 G N 1.384 110.105 108.800 -0.131 0.000 2.246 781 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.273 781 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.273 781 G C 0.022 174.882 174.900 -0.067 0.000 1.055 781 G CA 0.378 45.424 45.100 -0.091 0.000 0.851 781 G HN 0.304 nan 8.290 nan 0.000 0.500 782 V N -3.952 115.928 119.914 -0.057 0.000 3.074 782 V HA 0.963 5.082 4.120 -0.001 0.000 0.314 782 V C -2.163 173.915 176.094 -0.027 0.000 1.117 782 V CA -2.857 59.422 62.300 -0.036 0.000 1.014 782 V CB 1.946 33.752 31.823 -0.029 0.000 1.057 782 V HN 0.054 nan 8.190 nan 0.000 0.438 783 P HA 0.264 nan 4.420 nan 0.000 0.269 783 P C 0.927 178.217 177.300 -0.017 0.000 1.215 783 P CA -0.128 62.961 63.100 -0.017 0.000 0.780 783 P CB 0.860 32.551 31.700 -0.014 0.000 0.898 784 V N 1.433 121.338 119.914 -0.016 0.000 2.515 784 V HA -0.222 3.898 4.120 -0.001 0.000 0.250 784 V C 1.931 178.013 176.094 -0.019 0.000 1.058 784 V CA 2.182 64.473 62.300 -0.016 0.000 1.064 784 V CB -1.382 30.433 31.823 -0.015 0.000 0.675 784 V HN 0.692 nan 8.190 nan 0.000 0.461 785 N N 0.663 119.353 118.700 -0.017 0.000 2.585 785 N HA -0.199 4.541 4.740 -0.001 0.000 0.188 785 N C 1.517 177.017 175.510 -0.016 0.000 1.102 785 N CA 0.997 54.037 53.050 -0.016 0.000 0.920 785 N CB -0.378 38.101 38.487 -0.013 0.000 0.963 785 N HN 0.274 nan 8.380 nan 0.000 0.447 786 R N -0.248 120.242 120.500 -0.017 0.000 2.280 786 R HA 0.267 4.606 4.340 -0.001 0.000 0.195 786 R C -0.110 176.178 176.300 -0.021 0.000 0.935 786 R CA -0.039 56.052 56.100 -0.015 0.000 1.033 786 R CB 0.251 30.546 30.300 -0.009 0.000 0.964 786 R HN 0.256 nan 8.270 nan 0.000 0.489 787 I N 1.984 122.537 120.570 -0.028 0.000 2.362 787 I HA 0.245 4.414 4.170 -0.001 0.000 0.289 787 I C -0.471 175.612 176.117 -0.056 0.000 0.994 787 I CA -1.656 59.621 61.300 -0.039 0.000 1.158 787 I CB 1.395 39.374 38.000 -0.035 0.000 1.315 787 I HN -0.153 nan 8.210 nan 0.000 0.451 788 L N 8.710 129.885 121.223 -0.080 0.000 2.313 788 L HA 0.638 4.978 4.340 -0.001 0.000 0.283 788 L C -0.869 175.906 176.870 -0.159 0.000 1.013 788 L CA -0.269 54.507 54.840 -0.106 0.000 0.816 788 L CB 1.656 43.651 42.059 -0.106 0.000 1.236 788 L HN 0.268 nan 8.230 nan 0.000 0.419 789 V N 5.805 125.633 119.914 -0.144 0.000 2.459 789 V HA 0.635 4.755 4.120 -0.001 0.000 0.295 789 V C -0.097 175.891 176.094 -0.177 0.000 1.029 789 V CA -0.605 61.593 62.300 -0.170 0.000 0.874 789 V CB 1.612 33.365 31.823 -0.117 0.000 0.985 789 V HN 0.752 nan 8.190 nan 0.000 0.438 790 R N 3.090 123.450 120.500 -0.233 0.000 2.513 790 R HA 0.754 5.094 4.340 -0.001 0.000 0.301 790 R C -1.620 174.648 176.300 -0.054 0.000 0.968 790 R CA -0.649 55.356 56.100 -0.158 0.000 0.872 790 R CB 2.462 32.633 30.300 -0.215 0.000 1.177 790 R HN 0.506 nan 8.270 nan 0.000 0.444 791 V N 3.760 123.656 119.914 -0.029 0.000 2.349 791 V HA 0.170 4.289 4.120 -0.001 0.000 0.284 791 V C 0.731 176.831 176.094 0.010 0.000 1.014 791 V CA -0.607 61.690 62.300 -0.006 0.000 0.826 791 V CB 1.376 33.174 31.823 -0.042 0.000 1.009 791 V HN 0.774 nan 8.190 nan 0.000 0.431 792 K N 4.867 125.290 120.400 0.037 0.000 2.044 792 K HA 0.203 4.523 4.320 -0.001 0.000 0.204 792 K C 0.770 177.372 176.600 0.005 0.000 1.045 792 K CA 0.905 57.201 56.287 0.016 0.000 0.951 792 K CB 0.360 32.865 32.500 0.008 0.000 0.738 792 K HN 0.788 nan 8.250 nan 0.000 0.443 793 R N -1.130 119.354 120.500 -0.026 0.000 2.728 793 R HA 0.342 4.681 4.340 -0.001 0.000 0.274 793 R C -1.523 174.774 176.300 -0.005 0.000 1.032 793 R CA -0.895 55.181 56.100 -0.039 0.000 0.866 793 R CB 0.709 30.950 30.300 -0.098 0.000 1.263 793 R HN -0.039 nan 8.270 nan 0.000 0.475 794 M N 0.585 120.185 119.600 -0.001 0.000 2.528 794 M HA 0.413 4.892 4.480 -0.001 0.000 0.321 794 M C 0.448 176.797 176.300 0.082 0.000 1.153 794 M CA -0.731 54.558 55.300 -0.018 0.000 0.951 794 M CB 2.454 34.950 32.600 -0.174 0.000 1.705 794 M HN 0.915 nan 8.290 nan 0.000 0.451 795 G N 1.525 110.311 108.800 -0.024 0.000 3.458 795 G HA2 0.503 4.462 3.960 -0.001 0.000 0.256 795 G HA3 0.503 4.462 3.960 -0.001 0.000 0.256 795 G C 0.318 175.119 174.900 -0.164 0.000 0.938 795 G CA 0.251 45.262 45.100 -0.148 0.000 1.890 795 G HN 1.096 nan 8.290 nan 0.000 0.639 796 G N -1.092 107.606 108.800 -0.171 0.000 2.692 796 G HA2 0.368 4.328 3.960 -0.001 0.000 0.686 796 G HA3 0.368 4.328 3.960 -0.001 0.000 0.686 796 G C 0.522 175.136 174.900 -0.477 0.000 1.243 796 G CA -0.306 44.556 45.100 -0.397 0.000 0.782 796 G HN 1.260 nan 8.290 nan 0.000 0.625 797 G N -0.908 107.427 108.800 -0.775 0.000 2.641 797 G HA2 0.549 4.509 3.960 -0.001 0.000 0.211 797 G HA3 0.549 4.509 3.960 -0.001 0.000 0.211 797 G C 0.783 175.567 174.900 -0.193 0.000 1.338 797 G CA 0.815 45.677 45.100 -0.397 0.000 0.572 797 G HN 1.775 nan 8.290 nan 0.000 1.023 798 F N 0.921 120.873 119.950 0.002 0.000 3.084 798 F HA -0.187 4.340 4.527 -0.001 0.000 0.286 798 F C 1.960 177.761 175.800 0.003 0.000 0.855 798 F CA 0.848 58.840 58.000 -0.013 0.000 1.091 798 F CB -1.525 37.414 39.000 -0.102 0.000 1.177 798 F HN 1.191 nan 8.300 nan 0.000 0.542 799 G N -0.883 107.979 108.800 0.103 0.000 2.284 799 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.247 799 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.247 799 G C 1.159 176.103 174.900 0.073 0.000 1.012 799 G CA 0.224 45.429 45.100 0.175 0.000 0.618 799 G HN 1.288 nan 8.290 nan 0.000 0.521 800 G N -0.070 108.524 108.800 -0.345 0.000 2.744 800 G HA2 0.245 4.205 3.960 -0.001 0.000 0.211 800 G HA3 0.245 4.205 3.960 -0.001 0.000 0.211 800 G C 1.163 175.993 174.900 -0.117 0.000 1.143 800 G CA 1.217 45.948 45.100 -0.615 0.000 0.788 800 G HN 0.533 nan 8.290 nan 0.000 0.534 801 K N -0.059 120.256 120.400 -0.140 0.000 2.455 801 K HA 0.188 4.508 4.320 -0.001 0.000 0.206 801 K C 1.425 178.014 176.600 -0.019 0.000 1.027 801 K CA -0.124 56.106 56.287 -0.095 0.000 1.113 801 K CB 0.698 33.021 32.500 -0.296 0.000 0.850 801 K HN 0.341 nan 8.250 nan 0.000 0.503 802 E N 0.952 121.173 120.200 0.035 0.000 2.072 802 E HA -0.140 4.210 4.350 -0.001 0.000 0.190 802 E C 1.287 177.926 176.600 0.064 0.000 0.982 802 E CA 1.859 58.300 56.400 0.068 0.000 0.803 802 E CB 0.405 30.189 29.700 0.140 0.000 0.755 802 E HN 0.289 nan 8.360 nan 0.000 0.453 803 T N -3.047 111.566 114.554 0.099 0.000 3.048 803 T HA 0.211 4.560 4.350 -0.001 0.000 0.254 803 T C 1.565 176.323 174.700 0.096 0.000 0.942 803 T CA -0.575 61.574 62.100 0.081 0.000 0.931 803 T CB -0.053 68.902 68.868 0.144 0.000 1.220 803 T HN -0.096 nan 8.240 nan 0.000 0.503 804 R N 2.698 123.264 120.500 0.111 0.000 2.316 804 R HA 0.173 4.513 4.340 -0.001 0.000 0.202 804 R C 2.607 178.857 176.300 -0.084 0.000 1.029 804 R CA 1.034 57.160 56.100 0.042 0.000 1.018 804 R CB -1.162 29.167 30.300 0.049 0.000 0.888 804 R HN 0.737 nan 8.270 nan 0.000 0.471 805 S N 0.108 115.847 115.700 0.064 0.000 2.419 805 S HA -0.156 4.314 4.470 -0.001 0.000 0.233 805 S C 1.938 176.549 174.600 0.019 0.000 1.016 805 S CA 1.576 59.834 58.200 0.096 0.000 0.974 805 S CB -0.581 62.718 63.200 0.166 0.000 0.786 805 S HN 0.456 nan 8.310 nan 0.000 0.492 806 T N 0.805 115.382 114.554 0.039 0.000 2.962 806 T HA 0.107 4.456 4.350 -0.001 0.000 0.270 806 T C 1.722 176.452 174.700 0.050 0.000 1.088 806 T CA 0.942 63.092 62.100 0.084 0.000 1.127 806 T CB -0.839 68.179 68.868 0.251 0.000 0.883 806 T HN 0.449 nan 8.240 nan 0.000 0.493 807 L N 0.479 121.701 121.223 -0.001 0.000 2.131 807 L HA -0.021 4.319 4.340 -0.001 0.000 0.210 807 L C 2.825 179.680 176.870 -0.024 0.000 1.092 807 L CA 0.765 55.591 54.840 -0.023 0.000 0.759 807 L CB -0.587 41.450 42.059 -0.037 0.000 0.903 807 L HN 0.205 nan 8.230 nan 0.000 0.435 808 V N -1.436 118.462 119.914 -0.026 0.000 2.446 808 V HA -0.142 3.978 4.120 -0.001 0.000 0.244 808 V C 2.483 178.593 176.094 0.026 0.000 1.039 808 V CA 1.577 63.886 62.300 0.015 0.000 1.045 808 V CB 0.098 31.941 31.823 0.033 0.000 0.681 808 V HN 0.322 nan 8.190 nan 0.000 0.459 809 S N 0.368 116.082 115.700 0.024 0.000 2.368 809 S HA -0.166 4.304 4.470 -0.001 0.000 0.225 809 S C 2.022 176.629 174.600 0.012 0.000 1.030 809 S CA 1.544 59.760 58.200 0.027 0.000 0.999 809 S CB -0.232 62.983 63.200 0.024 0.000 0.844 809 S HN 0.374 nan 8.310 nan 0.000 0.459 810 V N 1.973 121.883 119.914 -0.007 0.000 2.427 810 V HA -0.141 3.978 4.120 -0.001 0.000 0.248 810 V C 2.643 178.681 176.094 -0.094 0.000 1.051 810 V CA 1.522 63.791 62.300 -0.052 0.000 1.048 810 V CB -1.242 30.534 31.823 -0.079 0.000 0.666 810 V HN 0.530 nan 8.190 nan 0.000 0.456 811 A N 0.015 122.777 122.820 -0.096 0.000 1.877 811 A HA -0.161 4.159 4.320 -0.001 0.000 0.216 811 A C 2.389 180.018 177.584 0.076 0.000 1.186 811 A CA 2.183 54.206 52.037 -0.024 0.000 0.620 811 A CB -0.707 18.340 19.000 0.078 0.000 0.822 811 A HN 0.332 nan 8.150 nan 0.000 0.443 812 V N -0.131 119.819 119.914 0.059 0.000 2.358 812 V HA -0.212 3.907 4.120 -0.001 0.000 0.246 812 V C 3.051 179.180 176.094 0.058 0.000 1.047 812 V CA 1.801 64.139 62.300 0.064 0.000 1.035 812 V CB -1.295 30.565 31.823 0.061 0.000 0.658 812 V HN 0.615 nan 8.190 nan 0.000 0.452 813 A N 0.010 122.856 122.820 0.042 0.000 1.940 813 A HA -0.236 4.084 4.320 -0.001 0.000 0.219 813 A C 2.182 179.814 177.584 0.081 0.000 1.176 813 A CA 2.249 54.314 52.037 0.047 0.000 0.631 813 A CB -0.585 18.426 19.000 0.017 0.000 0.814 813 A HN 0.474 nan 8.150 nan 0.000 0.446 814 L N -0.295 120.970 121.223 0.069 0.000 2.017 814 L HA -0.046 4.294 4.340 -0.001 0.000 0.208 814 L C 2.681 179.654 176.870 0.173 0.000 1.073 814 L CA 2.233 57.148 54.840 0.125 0.000 0.745 814 L CB -0.862 41.265 42.059 0.114 0.000 0.894 814 L HN 0.340 nan 8.230 nan 0.000 0.432 815 A N -0.292 122.599 122.820 0.117 0.000 1.892 815 A HA -0.209 4.111 4.320 -0.001 0.000 0.218 815 A C 2.459 180.077 177.584 0.057 0.000 1.188 815 A CA 2.305 54.381 52.037 0.066 0.000 0.631 815 A CB -1.308 17.716 19.000 0.040 0.000 0.822 815 A HN 0.624 nan 8.150 nan 0.000 0.447 816 A N -1.490 121.376 122.820 0.077 0.000 1.873 816 A HA -0.071 4.248 4.320 -0.001 0.000 0.215 816 A C 2.164 179.797 177.584 0.082 0.000 1.186 816 A CA 1.669 53.747 52.037 0.068 0.000 0.616 816 A CB -0.940 18.102 19.000 0.069 0.000 0.823 816 A HN 0.829 nan 8.150 nan 0.000 0.442 817 Y N 0.609 120.912 120.300 0.006 0.000 2.128 817 Y HA -0.256 4.293 4.550 -0.001 0.000 0.284 817 Y C 2.276 178.181 175.900 0.008 0.000 1.154 817 Y CA 2.612 60.715 58.100 0.004 0.000 1.149 817 Y CB -0.234 38.227 38.460 0.002 0.000 0.976 817 Y HN 0.226 nan 8.280 nan 0.000 0.505 818 K N -0.297 120.066 120.400 -0.060 0.000 2.116 818 K HA -0.057 4.263 4.320 -0.001 0.000 0.203 818 K C 2.154 178.662 176.600 -0.153 0.000 1.052 818 K CA 1.714 57.898 56.287 -0.172 0.000 0.952 818 K CB -0.462 32.064 32.500 0.044 0.000 0.729 818 K HN 0.561 nan 8.250 nan 0.000 0.446 819 T N -4.097 110.409 114.554 -0.079 0.000 3.035 819 T HA 0.151 4.501 4.350 -0.001 0.000 0.259 819 T C 1.541 176.284 174.700 0.071 0.000 1.078 819 T CA 0.681 62.754 62.100 -0.046 0.000 1.132 819 T CB -0.063 68.738 68.868 -0.113 0.000 0.900 819 T HN 0.281 nan 8.240 nan 0.000 0.480 820 G N 1.198 110.007 108.800 0.015 0.000 2.184 820 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.264 820 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.264 820 G C 0.015 174.933 174.900 0.030 0.000 0.975 820 G CA 0.363 45.468 45.100 0.008 0.000 0.642 820 G HN 0.781 nan 8.290 nan 0.000 0.536 821 H N 0.498 119.519 119.070 -0.083 0.000 2.533 821 H HA 0.354 4.910 4.556 -0.001 0.000 0.343 821 H C -2.379 172.900 175.328 -0.081 0.000 1.160 821 H CA -2.084 53.913 56.048 -0.085 0.000 1.218 821 H CB 1.780 31.500 29.762 -0.069 0.000 1.566 821 H HN 0.051 nan 8.280 nan 0.000 0.522 822 P HA -0.051 nan 4.420 nan 0.000 0.265 822 P C -0.774 176.531 177.300 0.008 0.000 1.187 822 P CA 0.290 63.399 63.100 0.014 0.000 0.766 822 P CB 0.656 32.376 31.700 0.034 0.000 0.820 823 V N 3.222 123.129 119.914 -0.011 0.000 3.049 823 V HA 0.664 4.784 4.120 -0.001 0.000 0.309 823 V C -0.011 176.041 176.094 -0.070 0.000 1.148 823 V CA -0.685 61.565 62.300 -0.083 0.000 0.990 823 V CB 2.441 34.246 31.823 -0.031 0.000 1.039 823 V HN 0.631 nan 8.190 nan 0.000 0.430 824 R N 1.205 121.621 120.500 -0.139 0.000 2.817 824 R HA 0.938 5.278 4.340 -0.001 0.000 0.268 824 R C -1.557 174.779 176.300 0.059 0.000 1.027 824 R CA -0.666 55.418 56.100 -0.026 0.000 0.928 824 R CB 1.805 32.088 30.300 -0.028 0.000 1.228 824 R HN 0.784 nan 8.270 nan 0.000 0.469 825 C N 2.047 121.415 119.300 0.114 0.000 2.871 825 C HA 0.549 5.008 4.460 -0.001 0.000 0.378 825 C C -1.108 173.966 174.990 0.139 0.000 1.052 825 C CA -0.576 58.535 59.018 0.155 0.000 1.250 825 C CB 1.325 29.143 27.740 0.130 0.000 1.689 825 C HN 0.986 nan 8.230 nan 0.000 0.506 826 M N 6.587 126.278 119.600 0.151 0.000 2.294 826 M HA 0.608 5.087 4.480 -0.001 0.000 0.335 826 M C -1.081 175.290 176.300 0.118 0.000 1.079 826 M CA -0.512 54.860 55.300 0.120 0.000 0.982 826 M CB 1.087 33.761 32.600 0.122 0.000 1.651 826 M HN 0.713 nan 8.290 nan 0.000 0.437 827 L N 3.865 125.156 121.223 0.114 0.000 2.426 827 L HA 0.221 4.561 4.340 -0.001 0.000 0.271 827 L C 0.026 176.964 176.870 0.114 0.000 1.169 827 L CA -0.541 54.372 54.840 0.121 0.000 0.836 827 L CB 0.306 42.451 42.059 0.142 0.000 1.112 827 L HN 0.649 nan 8.230 nan 0.000 0.465 828 D N 1.146 121.616 120.400 0.117 0.000 2.362 828 D HA 0.019 4.658 4.640 -0.001 0.000 0.242 828 D C 0.964 177.347 176.300 0.138 0.000 1.132 828 D CA -0.280 53.798 54.000 0.130 0.000 0.907 828 D CB 0.945 41.825 40.800 0.132 0.000 1.195 828 D HN 0.330 nan 8.370 nan 0.000 0.429 829 R N 2.100 122.681 120.500 0.134 0.000 2.113 829 R HA -0.228 4.111 4.340 -0.001 0.000 0.244 829 R C 1.529 177.898 176.300 0.114 0.000 1.142 829 R CA 2.053 58.198 56.100 0.076 0.000 0.953 829 R CB -0.485 29.853 30.300 0.063 0.000 0.860 829 R HN 0.570 nan 8.270 nan 0.000 0.438 830 N N 0.324 119.141 118.700 0.194 0.000 2.188 830 N HA -0.166 4.574 4.740 -0.001 0.000 0.184 830 N C 1.252 176.854 175.510 0.153 0.000 1.018 830 N CA 1.903 55.064 53.050 0.185 0.000 0.858 830 N CB -0.539 38.110 38.487 0.269 0.000 0.989 830 N HN 0.498 nan 8.380 nan 0.000 0.426 831 E N 0.313 120.606 120.200 0.156 0.000 2.077 831 E HA -0.181 4.169 4.350 -0.001 0.000 0.193 831 E C 1.363 178.043 176.600 0.133 0.000 0.989 831 E CA 1.092 57.576 56.400 0.140 0.000 0.800 831 E CB -0.158 29.625 29.700 0.137 0.000 0.746 831 E HN 0.441 nan 8.360 nan 0.000 0.452 832 D N 0.761 121.246 120.400 0.142 0.000 2.084 832 D HA -0.159 4.480 4.640 -0.001 0.000 0.194 832 D C 2.048 178.440 176.300 0.153 0.000 0.990 832 D CA 1.166 55.275 54.000 0.183 0.000 0.826 832 D CB 0.054 40.987 40.800 0.223 0.000 0.971 832 D HN 0.151 nan 8.370 nan 0.000 0.453 833 M N -0.070 119.583 119.600 0.089 0.000 2.213 833 M HA -0.166 4.313 4.480 -0.001 0.000 0.263 833 M C 2.333 178.670 176.300 0.063 0.000 1.062 833 M CA 0.771 56.097 55.300 0.043 0.000 1.105 833 M CB -0.152 32.440 32.600 -0.014 0.000 1.385 833 M HN 0.074 nan 8.290 nan 0.000 0.417 834 L N 0.503 121.777 121.223 0.084 0.000 2.095 834 L HA -0.017 4.323 4.340 -0.001 0.000 0.204 834 L C 1.962 178.902 176.870 0.115 0.000 1.080 834 L CA 1.776 56.675 54.840 0.098 0.000 0.759 834 L CB -0.201 41.922 42.059 0.106 0.000 0.914 834 L HN 0.178 nan 8.230 nan 0.000 0.439 835 I N -1.180 119.458 120.570 0.114 0.000 2.731 835 I HA -0.082 4.088 4.170 -0.001 0.000 0.260 835 I C 1.706 177.875 176.117 0.086 0.000 1.138 835 I CA 1.162 62.525 61.300 0.104 0.000 1.461 835 I CB -0.340 37.718 38.000 0.097 0.000 1.128 835 I HN 0.374 nan 8.210 nan 0.000 0.438 836 T N -1.479 113.136 114.554 0.101 0.000 3.122 836 T HA 0.470 4.819 4.350 -0.001 0.000 0.250 836 T C 0.908 175.702 174.700 0.158 0.000 1.067 836 T CA 0.164 62.310 62.100 0.076 0.000 0.966 836 T CB -0.093 68.808 68.868 0.055 0.000 1.002 836 T HN 0.476 nan 8.240 nan 0.000 0.542 837 G N -0.685 108.215 108.800 0.165 0.000 2.758 837 G HA2 0.356 4.316 3.960 -0.001 0.000 0.686 837 G HA3 0.356 4.316 3.960 -0.001 0.000 0.686 837 G C -0.106 174.954 174.900 0.267 0.000 1.389 837 G CA -0.565 44.641 45.100 0.177 0.000 0.845 837 G HN 1.105 nan 8.290 nan 0.000 0.572 838 G N -0.758 108.157 108.800 0.191 0.000 3.058 838 G HA2 0.764 4.724 3.960 -0.001 0.000 0.282 838 G HA3 0.764 4.724 3.960 -0.001 0.000 0.282 838 G C -0.019 174.988 174.900 0.177 0.000 1.248 838 G CA -0.027 45.164 45.100 0.151 0.000 0.822 838 G HN 0.875 nan 8.290 nan 0.000 0.579 839 R N -0.213 120.397 120.500 0.183 0.000 2.590 839 R HA 0.173 4.513 4.340 -0.001 0.000 0.274 839 R C -0.528 175.831 176.300 0.097 0.000 1.061 839 R CA -0.263 55.922 56.100 0.142 0.000 1.081 839 R CB -0.012 30.184 30.300 -0.174 0.000 0.984 839 R HN 0.576 nan 8.270 nan 0.000 0.448 840 H N 4.882 124.022 119.070 0.118 0.000 3.026 840 H HA 0.114 4.670 4.556 -0.001 0.000 0.289 840 H C -1.987 173.455 175.328 0.190 0.000 1.022 840 H CA -1.254 54.891 56.048 0.161 0.000 1.477 840 H CB 0.320 30.226 29.762 0.240 0.000 1.510 840 H HN 0.441 nan 8.280 nan 0.000 0.535 841 P HA -0.013 nan 4.420 nan 0.000 0.267 841 P C -0.688 176.756 177.300 0.240 0.000 1.200 841 P CA 0.536 63.692 63.100 0.094 0.000 0.772 841 P CB 0.473 32.231 31.700 0.097 0.000 0.855 842 F N 1.727 121.579 119.950 -0.164 0.000 2.532 842 F HA 0.497 5.023 4.527 -0.001 0.000 0.321 842 F C -0.084 175.723 175.800 0.012 0.000 1.089 842 F CA -1.104 56.901 58.000 0.009 0.000 0.926 842 F CB 1.675 40.717 39.000 0.070 0.000 1.168 842 F HN 0.092 nan 8.300 nan 0.000 0.459 843 L N 3.331 124.746 121.223 0.320 0.000 2.346 843 L HA 0.902 5.242 4.340 -0.001 0.000 0.276 843 L C -1.088 176.028 176.870 0.411 0.000 1.006 843 L CA -0.377 54.700 54.840 0.395 0.000 0.817 843 L CB 1.485 43.760 42.059 0.360 0.000 1.272 843 L HN 0.615 nan 8.230 nan 0.000 0.421 844 A N 4.535 127.579 122.820 0.374 0.000 2.414 844 A HA 0.894 5.214 4.320 -0.001 0.000 0.306 844 A C -0.915 176.869 177.584 0.333 0.000 1.054 844 A CA -0.723 51.502 52.037 0.314 0.000 0.724 844 A CB 1.284 20.416 19.000 0.219 0.000 1.267 844 A HN 0.683 nan 8.150 nan 0.000 0.418 845 R N 0.823 121.488 120.500 0.275 0.000 2.439 845 R HA 0.629 4.969 4.340 -0.001 0.000 0.310 845 R C -1.431 174.970 176.300 0.167 0.000 0.955 845 R CA -0.262 55.946 56.100 0.179 0.000 0.853 845 R CB 1.305 31.693 30.300 0.147 0.000 1.171 845 R HN 0.789 nan 8.270 nan 0.000 0.449 846 Y N -0.813 119.521 120.300 0.056 0.000 2.609 846 Y HA 0.728 5.277 4.550 -0.001 0.000 0.342 846 Y C -1.089 174.826 175.900 0.024 0.000 1.058 846 Y CA -1.344 56.776 58.100 0.034 0.000 1.055 846 Y CB 1.931 40.432 38.460 0.069 0.000 1.292 846 Y HN 0.303 nan 8.280 nan 0.000 0.476 847 K N 2.058 122.538 120.400 0.133 0.000 2.581 847 K HA 0.651 4.971 4.320 -0.001 0.000 0.249 847 K C -2.527 174.216 176.600 0.239 0.000 0.966 847 K CA -0.790 55.554 56.287 0.094 0.000 0.811 847 K CB 2.627 35.096 32.500 -0.052 0.000 1.223 847 K HN 0.797 nan 8.250 nan 0.000 0.438 848 V N 2.930 122.989 119.914 0.242 0.000 2.604 848 V HA 0.839 4.958 4.120 -0.001 0.000 0.305 848 V C -0.588 175.723 176.094 0.361 0.000 1.043 848 V CA -0.253 62.108 62.300 0.101 0.000 0.888 848 V CB 1.740 33.415 31.823 -0.246 0.000 0.995 848 V HN 0.852 nan 8.190 nan 0.000 0.429 849 G N 5.633 114.527 108.800 0.157 0.000 2.416 849 G HA2 0.777 4.737 3.960 -0.001 0.000 0.324 849 G HA3 0.777 4.737 3.960 -0.001 0.000 0.324 849 G C -1.263 173.720 174.900 0.138 0.000 1.194 849 G CA -0.557 44.605 45.100 0.104 0.000 0.922 849 G HN 1.048 nan 8.290 nan 0.000 0.467 850 F N 0.462 120.369 119.950 -0.072 0.000 2.645 850 F HA 0.731 5.258 4.527 -0.001 0.000 0.310 850 F C -0.450 175.326 175.800 -0.040 0.000 1.102 850 F CA -1.851 56.105 58.000 -0.073 0.000 0.952 850 F CB 1.379 40.347 39.000 -0.054 0.000 1.326 850 F HN 0.233 nan 8.300 nan 0.000 0.456 851 M N 2.043 121.686 119.600 0.072 0.000 2.159 851 M HA 0.280 4.760 4.480 -0.001 0.000 0.293 851 M C 1.090 177.435 176.300 0.075 0.000 1.186 851 M CA -0.587 54.719 55.300 0.009 0.000 1.073 851 M CB 1.089 33.696 32.600 0.013 0.000 1.419 851 M HN 0.906 nan 8.290 nan 0.000 0.490 852 K N -0.784 119.638 120.400 0.036 0.000 2.486 852 K HA 0.004 4.324 4.320 -0.001 0.000 0.194 852 K C 0.994 177.649 176.600 0.091 0.000 1.033 852 K CA 1.168 57.498 56.287 0.072 0.000 1.004 852 K CB -0.616 31.903 32.500 0.032 0.000 0.798 852 K HN 0.769 nan 8.250 nan 0.000 0.495 853 T N -2.673 111.926 114.554 0.076 0.000 3.118 853 T HA 0.178 4.528 4.350 -0.001 0.000 0.260 853 T C 1.518 176.268 174.700 0.085 0.000 1.139 853 T CA 0.396 62.538 62.100 0.071 0.000 1.085 853 T CB -0.007 68.890 68.868 0.048 0.000 0.934 853 T HN 0.475 nan 8.240 nan 0.000 0.518 854 G N 0.695 109.572 108.800 0.129 0.000 2.175 854 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.244 854 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.244 854 G C 0.201 175.135 174.900 0.056 0.000 0.982 854 G CA 0.040 45.202 45.100 0.103 0.000 0.641 854 G HN 0.651 nan 8.290 nan 0.000 0.527 855 T N 2.855 117.444 114.554 0.058 0.000 2.834 855 T HA 0.484 4.834 4.350 -0.001 0.000 0.298 855 T C 0.902 175.619 174.700 0.028 0.000 0.966 855 T CA -0.058 62.045 62.100 0.006 0.000 1.141 855 T CB 0.800 69.661 68.868 -0.011 0.000 0.905 855 T HN 0.226 nan 8.240 nan 0.000 0.535 856 I N 4.296 124.849 120.570 -0.028 0.000 2.474 856 I HA 0.144 4.313 4.170 -0.001 0.000 0.287 856 I C 1.091 177.147 176.117 -0.102 0.000 1.048 856 I CA -0.012 61.257 61.300 -0.052 0.000 1.383 856 I CB 1.085 39.007 38.000 -0.130 0.000 1.412 856 I HN 0.434 nan 8.210 nan 0.000 0.531 857 V N 4.883 124.719 119.914 -0.130 0.000 3.539 857 V HA 0.430 4.549 4.120 -0.001 0.000 0.262 857 V C 0.389 176.307 176.094 -0.293 0.000 1.381 857 V CA 0.544 62.740 62.300 -0.173 0.000 1.060 857 V CB 1.209 32.956 31.823 -0.127 0.000 0.842 857 V HN 0.878 nan 8.190 nan 0.000 0.445 858 A N 0.435 123.003 122.820 -0.421 0.000 2.566 858 A HA 0.812 5.131 4.320 -0.001 0.000 0.297 858 A C -1.998 175.217 177.584 -0.615 0.000 1.059 858 A CA -0.339 51.280 52.037 -0.697 0.000 0.691 858 A CB 2.100 20.241 19.000 -1.432 0.000 1.282 858 A HN 0.270 nan 8.150 nan 0.000 0.401 859 L N 0.699 121.658 121.223 -0.440 0.000 2.588 859 L HA 0.689 5.028 4.340 -0.001 0.000 0.263 859 L C -0.926 175.921 176.870 -0.037 0.000 0.935 859 L CA 0.070 54.754 54.840 -0.261 0.000 0.891 859 L CB 1.969 43.750 42.059 -0.463 0.000 1.318 859 L HN 0.850 nan 8.230 nan 0.000 0.409 860 E N 3.965 124.240 120.200 0.124 0.000 2.199 860 E HA 0.744 5.093 4.350 -0.001 0.000 0.265 860 E C -1.929 174.732 176.600 0.102 0.000 0.882 860 E CA -0.734 55.750 56.400 0.140 0.000 0.759 860 E CB 2.005 31.831 29.700 0.210 0.000 1.148 860 E HN 0.507 nan 8.360 nan 0.000 0.412 861 V N 4.243 124.206 119.914 0.083 0.000 2.569 861 V HA 0.277 4.396 4.120 -0.001 0.000 0.301 861 V C -1.117 174.956 176.094 -0.036 0.000 1.044 861 V CA -1.013 61.299 62.300 0.020 0.000 0.874 861 V CB 1.943 33.727 31.823 -0.064 0.000 1.002 861 V HN 0.710 nan 8.190 nan 0.000 0.424 862 D N 2.920 123.297 120.400 -0.039 0.000 2.329 862 D HA 0.432 5.072 4.640 -0.001 0.000 0.232 862 D C -0.425 175.782 176.300 -0.154 0.000 1.088 862 D CA -0.249 53.709 54.000 -0.069 0.000 0.835 862 D CB 1.119 41.931 40.800 0.020 0.000 1.078 862 D HN 0.587 nan 8.370 nan 0.000 0.495 863 H N 1.207 120.173 119.070 -0.173 0.000 2.467 863 H HA 0.399 4.955 4.556 -0.001 0.000 0.331 863 H C -0.690 174.306 175.328 -0.552 0.000 1.120 863 H CA -0.205 55.771 56.048 -0.120 0.000 1.270 863 H CB 0.751 30.545 29.762 0.054 0.000 1.466 863 H HN 0.307 nan 8.280 nan 0.000 0.504 864 Y N 0.410 120.677 120.300 -0.054 0.000 2.373 864 Y HA 0.381 4.931 4.550 -0.001 0.000 0.336 864 Y C -0.266 175.405 175.900 -0.382 0.000 0.979 864 Y CA -0.888 57.120 58.100 -0.153 0.000 1.080 864 Y CB 1.956 40.411 38.460 -0.008 0.000 1.190 864 Y HN 0.698 nan 8.280 nan 0.000 0.446 865 S N 1.740 117.249 115.700 -0.317 0.000 2.568 865 S HA 0.449 4.918 4.470 -0.001 0.000 0.302 865 S C -0.922 173.679 174.600 0.001 0.000 1.082 865 S CA -1.000 56.974 58.200 -0.378 0.000 1.009 865 S CB 1.771 64.601 63.200 -0.616 0.000 1.069 865 S HN 0.624 nan 8.310 nan 0.000 0.500 866 N N 1.251 119.997 118.700 0.076 0.000 2.469 866 N HA 0.361 5.100 4.740 -0.001 0.000 0.239 866 N C 0.724 176.298 175.510 0.106 0.000 1.053 866 N CA -0.178 52.921 53.050 0.081 0.000 0.937 866 N CB 1.205 39.715 38.487 0.039 0.000 1.163 866 N HN 0.791 nan 8.380 nan 0.000 0.509 867 A N 2.606 125.538 122.820 0.186 0.000 2.123 867 A HA 0.356 4.675 4.320 -0.001 0.000 0.214 867 A C 1.217 178.877 177.584 0.125 0.000 1.152 867 A CA 0.951 53.135 52.037 0.245 0.000 0.728 867 A CB -0.623 18.643 19.000 0.445 0.000 0.814 867 A HN 0.889 nan 8.150 nan 0.000 0.464 868 G N 0.589 109.443 108.800 0.090 0.000 2.542 868 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.235 868 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.235 868 G C 0.190 175.167 174.900 0.130 0.000 1.286 868 G CA 0.286 45.412 45.100 0.044 0.000 0.904 868 G HN 1.094 nan 8.290 nan 0.000 0.577 869 N N 0.393 119.130 118.700 0.062 0.000 2.314 869 N HA 0.336 5.076 4.740 -0.001 0.000 0.200 869 N C 0.531 176.094 175.510 0.088 0.000 1.135 869 N CA 1.180 54.263 53.050 0.056 0.000 0.835 869 N CB 0.096 38.531 38.487 -0.086 0.000 0.989 869 N HN 1.728 nan 8.380 nan 0.000 0.478 870 S N -1.580 114.159 115.700 0.066 0.000 2.625 870 S HA 0.484 4.954 4.470 -0.001 0.000 0.271 870 S C 0.454 174.831 174.600 -0.372 0.000 1.161 870 S CA -0.929 57.211 58.200 -0.099 0.000 0.820 870 S CB 1.963 65.136 63.200 -0.045 0.000 1.137 870 S HN -0.017 nan 8.310 nan 0.000 0.470 871 R N 0.631 120.759 120.500 -0.621 0.000 2.066 871 R HA 0.044 4.383 4.340 -0.001 0.000 0.232 871 R C 0.975 177.178 176.300 -0.161 0.000 1.131 871 R CA 1.595 57.288 56.100 -0.679 0.000 0.955 871 R CB -0.821 28.994 30.300 -0.809 0.000 0.851 871 R HN 0.911 nan 8.270 nan 0.000 0.432 872 D N -0.786 119.658 120.400 0.074 0.000 3.584 872 D HA -0.299 4.340 4.640 -0.001 0.000 0.153 872 D C 0.218 176.717 176.300 0.332 0.000 0.949 872 D CA 2.215 56.366 54.000 0.251 0.000 1.011 872 D CB -0.724 40.192 40.800 0.194 0.000 0.476 872 D HN 0.108 nan 8.370 nan 0.000 0.460 873 L N 0.281 121.683 121.223 0.298 0.000 2.653 873 L HA 0.239 4.578 4.340 -0.001 0.000 0.231 873 L C 1.900 178.838 176.870 0.113 0.000 1.153 873 L CA 0.138 55.163 54.840 0.309 0.000 0.933 873 L CB 0.048 42.345 42.059 0.398 0.000 1.175 873 L HN 0.155 nan 8.230 nan 0.000 0.473 874 S N -0.959 114.786 115.700 0.074 0.000 2.399 874 S HA -0.231 4.239 4.470 -0.001 0.000 0.231 874 S C 1.830 176.339 174.600 -0.151 0.000 1.022 874 S CA 1.248 59.398 58.200 -0.083 0.000 0.983 874 S CB -0.227 63.040 63.200 0.111 0.000 0.803 874 S HN 0.577 nan 8.310 nan 0.000 0.480 875 H N 1.415 120.401 119.070 -0.139 0.000 2.363 875 H HA 0.046 4.601 4.556 -0.001 0.000 0.301 875 H C 2.121 177.411 175.328 -0.064 0.000 1.074 875 H CA 1.723 57.693 56.048 -0.130 0.000 1.354 875 H CB -0.102 29.571 29.762 -0.149 0.000 1.397 875 H HN 0.254 nan 8.280 nan 0.000 0.516 876 S N -0.131 115.687 115.700 0.197 0.000 2.402 876 S HA -0.104 4.366 4.470 -0.001 0.000 0.229 876 S C 2.181 176.824 174.600 0.073 0.000 1.021 876 S CA 1.206 59.582 58.200 0.293 0.000 0.974 876 S CB -0.123 63.434 63.200 0.595 0.000 0.800 876 S HN 0.370 nan 8.310 nan 0.000 0.484 877 I N 0.913 121.250 120.570 -0.388 0.000 2.179 877 I HA -0.199 3.971 4.170 -0.001 0.000 0.242 877 I C 2.488 178.454 176.117 -0.252 0.000 1.088 877 I CA 1.127 62.023 61.300 -0.673 0.000 1.357 877 I CB -0.251 37.237 38.000 -0.854 0.000 1.051 877 I HN 0.280 nan 8.210 nan 0.000 0.409 878 M N 0.908 120.356 119.600 -0.254 0.000 2.159 878 M HA -0.211 4.269 4.480 -0.001 0.000 0.263 878 M C 1.990 178.155 176.300 -0.226 0.000 1.063 878 M CA 1.839 57.012 55.300 -0.213 0.000 1.110 878 M CB -0.472 31.919 32.600 -0.348 0.000 1.374 878 M HN 0.123 nan 8.290 nan 0.000 0.411 879 E N -0.755 119.310 120.200 -0.224 0.000 2.031 879 E HA -0.256 4.094 4.350 -0.001 0.000 0.193 879 E C 2.204 178.786 176.600 -0.031 0.000 0.994 879 E CA 1.507 57.808 56.400 -0.166 0.000 0.800 879 E CB -0.331 29.396 29.700 0.045 0.000 0.752 879 E HN 0.521 nan 8.360 nan 0.000 0.447 880 R N 0.739 121.382 120.500 0.238 0.000 2.105 880 R HA -0.167 4.173 4.340 -0.001 0.000 0.239 880 R C 2.241 178.685 176.300 0.240 0.000 1.135 880 R CA 1.342 57.686 56.100 0.407 0.000 0.967 880 R CB -0.227 30.316 30.300 0.405 0.000 0.861 880 R HN 0.155 nan 8.270 nan 0.000 0.442 881 A N 1.150 123.996 122.820 0.042 0.000 1.883 881 A HA -0.176 4.143 4.320 -0.001 0.000 0.217 881 A C 2.204 179.770 177.584 -0.031 0.000 1.186 881 A CA 1.532 53.543 52.037 -0.043 0.000 0.624 881 A CB -0.690 18.250 19.000 -0.101 0.000 0.822 881 A HN 0.375 nan 8.150 nan 0.000 0.444 882 L N -1.925 119.221 121.223 -0.128 0.000 2.083 882 L HA -0.175 4.165 4.340 -0.001 0.000 0.209 882 L C 2.438 179.384 176.870 0.127 0.000 1.083 882 L CA 1.314 56.104 54.840 -0.084 0.000 0.752 882 L CB -0.602 41.366 42.059 -0.152 0.000 0.899 882 L HN 0.444 nan 8.230 nan 0.000 0.433 883 F N -0.941 119.074 119.950 0.107 0.000 2.408 883 F HA -0.204 4.323 4.527 -0.001 0.000 0.300 883 F C 1.674 177.531 175.800 0.094 0.000 1.090 883 F CA 0.753 58.700 58.000 -0.088 0.000 1.427 883 F CB -0.167 38.667 39.000 -0.278 0.000 1.070 883 F HN 0.221 nan 8.300 nan 0.000 0.549 884 H N -1.152 118.113 119.070 0.325 0.000 2.674 884 H HA 0.147 4.702 4.556 -0.001 0.000 0.274 884 H C 1.740 177.138 175.328 0.117 0.000 1.121 884 H CA -0.049 56.125 56.048 0.210 0.000 1.132 884 H CB -0.076 29.712 29.762 0.043 0.000 1.606 884 H HN 0.237 nan 8.280 nan 0.000 0.558 885 M N -0.171 119.544 119.600 0.192 0.000 2.632 885 M HA -0.023 4.456 4.480 -0.001 0.000 0.256 885 M C 0.486 176.843 176.300 0.094 0.000 1.080 885 M CA 1.305 56.694 55.300 0.149 0.000 1.084 885 M CB 0.194 32.920 32.600 0.210 0.000 1.439 885 M HN 0.046 nan 8.290 nan 0.000 0.509 886 D N -0.773 119.623 120.400 -0.006 0.000 2.346 886 D HA -0.019 4.620 4.640 -0.001 0.000 0.206 886 D C 0.909 177.238 176.300 0.048 0.000 1.001 886 D CA 0.319 54.343 54.000 0.039 0.000 0.871 886 D CB -0.493 40.326 40.800 0.032 0.000 0.943 886 D HN 0.493 nan 8.370 nan 0.000 0.518 887 N N 0.285 118.988 118.700 0.005 0.000 1.276 887 N HA -0.304 4.436 4.740 -0.001 0.000 0.137 887 N C -0.180 175.252 175.510 -0.130 0.000 0.642 887 N CA 2.546 55.532 53.050 -0.107 0.000 0.986 887 N CB -1.317 37.028 38.487 -0.237 0.000 1.277 887 N HN 0.343 nan 8.380 nan 0.000 0.495 888 C N 0.222 119.184 119.300 -0.563 0.000 2.563 888 C HA 0.442 4.902 4.460 -0.001 0.000 0.307 888 C C -0.723 173.838 174.990 -0.715 0.000 1.371 888 C CA -0.430 58.356 59.018 -0.386 0.000 1.772 888 C CB -2.151 25.386 27.740 -0.339 0.000 2.283 888 C HN 0.327 nan 8.230 nan 0.000 0.570 889 Y N 0.302 120.368 120.300 -0.389 0.000 2.376 889 Y HA 0.339 4.889 4.550 -0.001 0.000 0.340 889 Y C 0.258 175.557 175.900 -1.000 0.000 0.965 889 Y CA -0.863 56.874 58.100 -0.603 0.000 1.078 889 Y CB 0.978 39.288 38.460 -0.251 0.000 1.193 889 Y HN -0.039 nan 8.280 nan 0.000 0.452 890 K N 4.794 124.670 120.400 -0.874 0.000 2.316 890 K HA 0.463 4.782 4.320 -0.001 0.000 0.289 890 K C -1.275 175.152 176.600 -0.287 0.000 1.070 890 K CA 0.002 55.874 56.287 -0.691 0.000 0.928 890 K CB 0.169 32.389 32.500 -0.466 0.000 1.039 890 K HN 0.709 nan 8.250 nan 0.000 0.480 891 I N 7.818 128.278 120.570 -0.183 0.000 2.493 891 I HA 0.206 4.375 4.170 -0.001 0.000 0.279 891 I C -1.806 174.258 176.117 -0.090 0.000 1.045 891 I CA -2.159 59.064 61.300 -0.127 0.000 1.106 891 I CB 1.875 39.809 38.000 -0.110 0.000 1.216 891 I HN 0.536 nan 8.210 nan 0.000 0.459 892 P HA -0.023 nan 4.420 nan 0.000 0.219 892 P C -0.233 177.027 177.300 -0.067 0.000 1.150 892 P CA 1.181 64.239 63.100 -0.071 0.000 0.814 892 P CB 0.211 31.864 31.700 -0.078 0.000 0.787 893 N N 0.295 118.928 118.700 -0.112 0.000 2.399 893 N HA 0.485 5.225 4.740 -0.001 0.000 0.280 893 N C -0.880 174.551 175.510 -0.131 0.000 1.008 893 N CA -0.334 52.648 53.050 -0.114 0.000 0.894 893 N CB 2.344 40.730 38.487 -0.169 0.000 1.273 893 N HN 0.003 nan 8.380 nan 0.000 0.486 894 I N 0.767 121.307 120.570 -0.050 0.000 2.710 894 I HA 0.315 4.484 4.170 -0.001 0.000 0.290 894 I C -1.569 174.579 176.117 0.052 0.000 1.318 894 I CA -0.542 60.746 61.300 -0.020 0.000 1.045 894 I CB 1.974 39.975 38.000 0.001 0.000 1.307 894 I HN 0.394 nan 8.210 nan 0.000 0.424 895 R N 5.498 126.038 120.500 0.067 0.000 2.532 895 R HA 0.787 5.126 4.340 -0.001 0.000 0.297 895 R C -1.448 174.928 176.300 0.127 0.000 0.984 895 R CA -0.655 55.509 56.100 0.106 0.000 0.884 895 R CB 2.067 32.428 30.300 0.101 0.000 1.182 895 R HN 0.792 nan 8.270 nan 0.000 0.442 896 G N 1.908 110.805 108.800 0.162 0.000 2.590 896 G HA2 0.465 4.425 3.960 -0.001 0.000 0.310 896 G HA3 0.465 4.425 3.960 -0.001 0.000 0.310 896 G C -0.760 174.236 174.900 0.159 0.000 1.347 896 G CA -0.457 44.767 45.100 0.207 0.000 0.963 896 G HN 0.615 nan 8.290 nan 0.000 0.494 897 T N -0.911 113.729 114.554 0.142 0.000 2.930 897 T HA 0.874 5.223 4.350 -0.001 0.000 0.290 897 T C 0.041 174.739 174.700 -0.002 0.000 1.052 897 T CA -0.601 61.512 62.100 0.021 0.000 1.017 897 T CB 2.396 71.231 68.868 -0.055 0.000 1.137 897 T HN 1.294 nan 8.240 nan 0.000 0.511 898 G N 0.337 109.029 108.800 -0.180 0.000 2.719 898 G HA2 0.621 4.580 3.960 -0.001 0.000 0.298 898 G HA3 0.621 4.580 3.960 -0.001 0.000 0.298 898 G C -1.686 172.979 174.900 -0.391 0.000 1.411 898 G CA -0.951 43.981 45.100 -0.279 0.000 0.991 898 G HN 0.726 nan 8.290 nan 0.000 0.509 899 R N 0.585 120.794 120.500 -0.484 0.000 2.673 899 R HA 0.613 4.953 4.340 -0.001 0.000 0.281 899 R C -0.885 175.268 176.300 -0.244 0.000 0.991 899 R CA -0.828 54.998 56.100 -0.457 0.000 0.896 899 R CB 1.571 31.445 30.300 -0.709 0.000 1.201 899 R HN 0.438 nan 8.270 nan 0.000 0.457 900 L N 3.464 124.634 121.223 -0.087 0.000 2.264 900 L HA 0.506 4.846 4.340 -0.001 0.000 0.289 900 L C -0.428 176.587 176.870 0.242 0.000 1.044 900 L CA -0.975 53.912 54.840 0.078 0.000 0.807 900 L CB 1.487 43.651 42.059 0.175 0.000 1.192 900 L HN 0.539 nan 8.230 nan 0.000 0.425 901 C N 2.912 122.346 119.300 0.222 0.000 2.435 901 C HA 0.245 4.705 4.460 -0.001 0.000 0.375 901 C C 0.670 175.642 174.990 -0.031 0.000 1.281 901 C CA -0.810 58.317 59.018 0.182 0.000 1.963 901 C CB 0.515 28.349 27.740 0.157 0.000 2.490 901 C HN 0.695 nan 8.230 nan 0.000 0.557 902 K N 3.020 123.239 120.400 -0.302 0.000 2.253 902 K HA 0.505 4.824 4.320 -0.001 0.000 0.277 902 K C 0.014 176.446 176.600 -0.281 0.000 1.053 902 K CA 0.180 56.131 56.287 -0.559 0.000 0.892 902 K CB 0.556 32.456 32.500 -1.000 0.000 1.102 902 K HN 0.954 nan 8.250 nan 0.000 0.469 903 T N 0.339 114.802 114.554 -0.151 0.000 2.841 903 T HA 0.292 4.642 4.350 -0.001 0.000 0.296 903 T C -0.338 174.290 174.700 -0.120 0.000 1.166 903 T CA -1.087 60.932 62.100 -0.135 0.000 1.007 903 T CB 0.955 69.762 68.868 -0.102 0.000 1.253 903 T HN 0.534 nan 8.240 nan 0.000 0.511 904 N N 0.697 119.317 118.700 -0.134 0.000 3.331 904 N HA 0.487 5.227 4.740 -0.001 0.000 0.303 904 N C -0.897 174.569 175.510 -0.073 0.000 1.326 904 N CA -0.231 52.747 53.050 -0.119 0.000 1.207 904 N CB -0.275 38.136 38.487 -0.127 0.000 1.477 904 N HN 0.382 nan 8.380 nan 0.000 0.541 905 L N -0.447 120.734 121.223 -0.070 0.000 2.371 905 L HA 0.462 4.801 4.340 -0.001 0.000 0.262 905 L C 0.202 177.059 176.870 -0.021 0.000 1.006 905 L CA -1.159 53.649 54.840 -0.053 0.000 0.818 905 L CB 1.785 43.766 42.059 -0.130 0.000 1.354 905 L HN 0.085 nan 8.230 nan 0.000 0.415 906 S N 0.834 116.546 115.700 0.021 0.000 2.599 906 S HA -0.080 4.390 4.470 -0.001 0.000 0.303 906 S C 0.295 174.904 174.600 0.014 0.000 1.267 906 S CA 0.069 58.288 58.200 0.031 0.000 1.055 906 S CB 0.418 63.666 63.200 0.080 0.000 0.790 906 S HN 0.579 nan 8.310 nan 0.000 0.500 907 S N 3.256 118.965 115.700 0.014 0.000 2.516 907 S HA 0.093 4.563 4.470 -0.001 0.000 0.282 907 S C 0.247 174.853 174.600 0.011 0.000 1.286 907 S CA -0.655 57.556 58.200 0.019 0.000 1.066 907 S CB -0.154 63.065 63.200 0.032 0.000 0.884 907 S HN 0.619 nan 8.310 nan 0.000 0.491 908 N N 2.644 121.289 118.700 -0.091 0.000 2.463 908 N HA 0.443 5.183 4.740 -0.001 0.000 0.270 908 N C 0.197 175.694 175.510 -0.021 0.000 1.205 908 N CA -0.174 52.751 53.050 -0.208 0.000 0.974 908 N CB 1.594 39.671 38.487 -0.684 0.000 1.197 908 N HN 0.673 nan 8.380 nan 0.000 0.504 909 T N -1.330 113.331 114.554 0.179 0.000 2.598 909 T HA 0.639 4.989 4.350 -0.001 0.000 0.289 909 T C -1.255 173.718 174.700 0.456 0.000 1.056 909 T CA -0.507 61.811 62.100 0.364 0.000 1.088 909 T CB 0.437 69.495 68.868 0.318 0.000 1.519 909 T HN 0.470 nan 8.240 nan 0.000 0.488 910 A N 1.006 124.115 122.820 0.483 0.000 2.425 910 A HA 0.629 4.949 4.320 -0.001 0.000 0.249 910 A C -0.846 177.138 177.584 0.666 0.000 1.084 910 A CA -0.037 52.361 52.037 0.602 0.000 0.781 910 A CB -0.568 18.853 19.000 0.702 0.000 1.019 910 A HN 0.693 nan 8.150 nan 0.000 0.490 911 F N 1.714 121.933 119.950 0.449 0.000 2.588 911 F HA 0.422 4.948 4.527 -0.001 0.000 0.318 911 F C 0.531 176.500 175.800 0.280 0.000 1.155 911 F CA -1.038 57.177 58.000 0.360 0.000 0.967 911 F CB 1.279 40.328 39.000 0.082 0.000 1.236 911 F HN 0.770 nan 8.300 nan 0.000 0.455 912 R N 3.715 124.654 120.500 0.731 0.000 3.651 912 R HA -0.054 4.285 4.340 -0.001 0.000 0.201 912 R C 0.986 177.475 176.300 0.314 0.000 0.627 912 R CA 2.031 58.411 56.100 0.467 0.000 0.952 912 R CB -0.577 29.999 30.300 0.460 0.000 1.005 912 R HN 1.165 nan 8.270 nan 0.000 0.327 913 G N 3.685 112.635 108.800 0.251 0.000 2.313 913 G HA2 -0.332 3.628 3.960 -0.001 0.000 0.215 913 G HA3 -0.332 3.628 3.960 -0.001 0.000 0.215 913 G C 0.298 175.480 174.900 0.470 0.000 1.023 913 G CA 0.006 45.268 45.100 0.270 0.000 0.626 913 G HN 0.875 nan 8.290 nan 0.000 0.503 914 F N 0.501 120.577 119.950 0.211 0.000 2.983 914 F HA 0.076 4.602 4.527 -0.001 0.000 0.288 914 F C 1.722 177.584 175.800 0.104 0.000 0.980 914 F CA 2.434 60.550 58.000 0.193 0.000 0.965 914 F CB -1.021 38.102 39.000 0.205 0.000 0.967 914 F HN 2.107 nan 8.300 nan 0.000 0.800 915 G N -0.141 108.654 108.800 -0.008 0.000 2.299 915 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.237 915 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.237 915 G C 1.661 176.460 174.900 -0.168 0.000 1.027 915 G CA 0.809 45.816 45.100 -0.155 0.000 0.619 915 G HN 1.622 nan 8.290 nan 0.000 0.513 916 G N 1.814 110.586 108.800 -0.046 0.000 2.459 916 G HA2 0.014 3.974 3.960 -0.001 0.000 0.217 916 G HA3 0.014 3.974 3.960 -0.001 0.000 0.217 916 G C 0.115 174.970 174.900 -0.075 0.000 1.183 916 G CA 2.057 47.083 45.100 -0.124 0.000 0.776 916 G HN 0.550 nan 8.290 nan 0.000 0.552 917 P HA -0.089 nan 4.420 nan 0.000 0.216 917 P C 1.791 179.157 177.300 0.110 0.000 1.150 917 P CA 1.372 64.574 63.100 0.169 0.000 0.837 917 P CB -0.009 31.776 31.700 0.142 0.000 0.786 918 Q N -0.509 119.191 119.800 -0.167 0.000 2.016 918 Q HA -0.088 4.252 4.340 -0.001 0.000 0.200 918 Q C 2.322 178.232 176.000 -0.150 0.000 0.978 918 Q CA 1.985 57.611 55.803 -0.296 0.000 0.833 918 Q CB -1.400 26.703 28.738 -1.058 0.000 0.895 918 Q HN 0.146 nan 8.270 nan 0.000 0.427 919 A N 0.509 123.193 122.820 -0.226 0.000 1.877 919 A HA -0.159 4.161 4.320 -0.001 0.000 0.216 919 A C 2.098 179.655 177.584 -0.045 0.000 1.186 919 A CA 1.329 53.359 52.037 -0.011 0.000 0.620 919 A CB -0.825 18.177 19.000 0.003 0.000 0.822 919 A HN 0.336 nan 8.150 nan 0.000 0.443 920 L N -2.023 119.069 121.223 -0.220 0.000 2.083 920 L HA -0.147 4.193 4.340 -0.001 0.000 0.209 920 L C 2.459 179.058 176.870 -0.452 0.000 1.083 920 L CA 1.493 55.969 54.840 -0.607 0.000 0.752 920 L CB -0.528 40.666 42.059 -1.441 0.000 0.899 920 L HN 0.529 nan 8.230 nan 0.000 0.433 921 F N 0.835 120.704 119.950 -0.135 0.000 2.146 921 F HA -0.168 4.359 4.527 -0.001 0.000 0.298 921 F C 2.204 177.992 175.800 -0.021 0.000 1.096 921 F CA 1.316 59.418 58.000 0.171 0.000 1.275 921 F CB -0.169 38.948 39.000 0.196 0.000 1.008 921 F HN -0.121 nan 8.300 nan 0.000 0.480 922 I N 0.499 120.998 120.570 -0.119 0.000 2.208 922 I HA -0.317 3.853 4.170 -0.001 0.000 0.245 922 I C 2.723 178.561 176.117 -0.466 0.000 1.097 922 I CA 1.304 62.455 61.300 -0.249 0.000 1.363 922 I CB -0.986 37.029 38.000 0.025 0.000 1.051 922 I HN 0.260 nan 8.210 nan 0.000 0.413 923 A N 0.302 122.866 122.820 -0.426 0.000 1.858 923 A HA -0.193 4.126 4.320 -0.001 0.000 0.216 923 A C 2.241 179.029 177.584 -1.327 0.000 1.190 923 A CA 1.518 53.020 52.037 -0.892 0.000 0.617 923 A CB -0.468 18.300 19.000 -0.387 0.000 0.827 923 A HN 0.321 nan 8.150 nan 0.000 0.443 924 E N -0.138 119.631 120.200 -0.719 0.000 2.204 924 E HA -0.185 4.165 4.350 -0.001 0.000 0.195 924 E C 1.750 177.845 176.600 -0.840 0.000 0.990 924 E CA 1.236 57.199 56.400 -0.729 0.000 0.821 924 E CB -0.492 28.921 29.700 -0.479 0.000 0.750 924 E HN 0.752 nan 8.360 nan 0.000 0.477 925 N N 1.020 119.307 118.700 -0.687 0.000 2.080 925 N HA -0.154 4.585 4.740 -0.001 0.000 0.189 925 N C 1.958 177.221 175.510 -0.412 0.000 1.036 925 N CA 1.951 54.728 53.050 -0.456 0.000 0.846 925 N CB -0.314 37.852 38.487 -0.535 0.000 1.015 925 N HN 0.365 nan 8.380 nan 0.000 0.423 926 W N -0.563 120.465 121.300 -0.453 0.000 2.402 926 W HA -0.044 4.616 4.660 -0.001 0.000 0.286 926 W C 1.701 178.018 176.519 -0.338 0.000 1.221 926 W CA 0.179 57.297 57.345 -0.377 0.000 1.257 926 W CB -0.809 28.421 29.460 -0.383 0.000 1.120 926 W HN 0.155 nan 8.180 nan 0.000 0.551 927 M N 3.310 122.575 119.600 -0.557 0.000 2.213 927 M HA -0.186 4.293 4.480 -0.001 0.000 0.263 927 M C 2.510 178.601 176.300 -0.349 0.000 1.062 927 M CA 2.721 57.727 55.300 -0.491 0.000 1.105 927 M CB -0.663 31.387 32.600 -0.916 0.000 1.385 927 M HN 0.075 nan 8.290 nan 0.000 0.417 928 S N -0.857 114.626 115.700 -0.361 0.000 2.406 928 S HA -0.117 4.353 4.470 -0.001 0.000 0.228 928 S C 1.743 176.274 174.600 -0.115 0.000 1.020 928 S CA 1.320 59.388 58.200 -0.220 0.000 0.965 928 S CB -0.757 62.335 63.200 -0.180 0.000 0.798 928 S HN 0.691 nan 8.310 nan 0.000 0.488 929 E N 0.815 120.960 120.200 -0.091 0.000 2.152 929 E HA -0.022 4.327 4.350 -0.001 0.000 0.192 929 E C 2.077 178.609 176.600 -0.113 0.000 0.983 929 E CA 0.996 57.378 56.400 -0.031 0.000 0.818 929 E CB -0.281 29.458 29.700 0.065 0.000 0.758 929 E HN 0.387 nan 8.360 nan 0.000 0.467 930 V N 1.444 121.187 119.914 -0.285 0.000 2.295 930 V HA -0.281 3.838 4.120 -0.001 0.000 0.246 930 V C 2.336 178.278 176.094 -0.254 0.000 1.049 930 V CA 1.913 63.840 62.300 -0.621 0.000 1.024 930 V CB -0.669 30.709 31.823 -0.741 0.000 0.648 930 V HN 0.326 nan 8.190 nan 0.000 0.447 931 A N -0.364 122.366 122.820 -0.150 0.000 1.877 931 A HA -0.172 4.147 4.320 -0.001 0.000 0.216 931 A C 2.409 180.002 177.584 0.015 0.000 1.186 931 A CA 2.139 54.150 52.037 -0.044 0.000 0.620 931 A CB -0.746 18.233 19.000 -0.035 0.000 0.822 931 A HN 0.318 nan 8.150 nan 0.000 0.443 932 V N -0.288 119.636 119.914 0.016 0.000 2.295 932 V HA -0.243 3.877 4.120 -0.001 0.000 0.246 932 V C 2.769 178.917 176.094 0.091 0.000 1.049 932 V CA 2.553 64.890 62.300 0.062 0.000 1.024 932 V CB -1.176 30.689 31.823 0.070 0.000 0.648 932 V HN 0.620 nan 8.190 nan 0.000 0.447 933 T N -1.506 113.114 114.554 0.110 0.000 2.833 933 T HA -0.208 4.141 4.350 -0.001 0.000 0.269 933 T C 1.763 176.584 174.700 0.202 0.000 1.054 933 T CA 1.838 64.055 62.100 0.195 0.000 1.135 933 T CB -0.428 68.649 68.868 0.348 0.000 0.869 933 T HN 0.542 nan 8.240 nan 0.000 0.466 934 C N 0.712 120.123 119.300 0.185 0.000 2.539 934 C HA 0.422 4.881 4.460 -0.001 0.000 0.268 934 C C 2.075 177.132 174.990 0.112 0.000 1.395 934 C CA -0.245 58.874 59.018 0.170 0.000 1.757 934 C CB -1.309 26.532 27.740 0.167 0.000 1.851 934 C HN 0.797 nan 8.230 nan 0.000 0.545 935 G N 0.952 109.810 108.800 0.097 0.000 2.246 935 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.273 935 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.273 935 G C -0.343 174.603 174.900 0.077 0.000 1.055 935 G CA 0.102 45.250 45.100 0.080 0.000 0.851 935 G HN 0.534 nan 8.290 nan 0.000 0.500 936 L N -0.625 120.645 121.223 0.079 0.000 2.370 936 L HA 0.527 4.866 4.340 -0.001 0.000 0.266 936 L C -2.080 174.846 176.870 0.093 0.000 1.002 936 L CA -2.686 52.205 54.840 0.085 0.000 0.818 936 L CB 2.197 44.307 42.059 0.085 0.000 1.325 936 L HN -0.143 nan 8.230 nan 0.000 0.418 937 P HA -0.035 nan 4.420 nan 0.000 0.261 937 P C 0.141 177.531 177.300 0.150 0.000 1.173 937 P CA 0.130 63.320 63.100 0.149 0.000 0.760 937 P CB 0.803 32.619 31.700 0.194 0.000 0.783 938 A N 4.653 127.559 122.820 0.143 0.000 1.933 938 A HA -0.197 4.123 4.320 -0.001 0.000 0.218 938 A C 1.929 179.607 177.584 0.157 0.000 1.175 938 A CA 1.510 53.608 52.037 0.102 0.000 0.628 938 A CB -0.811 18.236 19.000 0.078 0.000 0.814 938 A HN 0.652 nan 8.150 nan 0.000 0.444 939 E N 0.766 121.103 120.200 0.227 0.000 2.204 939 E HA -0.212 4.138 4.350 -0.001 0.000 0.194 939 E C 1.428 178.289 176.600 0.436 0.000 0.989 939 E CA 1.510 58.116 56.400 0.343 0.000 0.824 939 E CB -0.497 29.240 29.700 0.061 0.000 0.756 939 E HN 0.755 nan 8.360 nan 0.000 0.477 940 E N 0.716 121.103 120.200 0.311 0.000 2.046 940 E HA -0.071 4.279 4.350 -0.001 0.000 0.190 940 E C 2.369 179.111 176.600 0.237 0.000 0.982 940 E CA 1.174 57.755 56.400 0.301 0.000 0.800 940 E CB 0.063 29.898 29.700 0.223 0.000 0.756 940 E HN 0.085 nan 8.360 nan 0.000 0.449 941 V N 1.469 121.465 119.914 0.136 0.000 2.287 941 V HA -0.292 3.827 4.120 -0.001 0.000 0.248 941 V C 2.317 178.378 176.094 -0.055 0.000 1.053 941 V CA 1.835 64.152 62.300 0.029 0.000 1.027 941 V CB -0.484 31.329 31.823 -0.017 0.000 0.646 941 V HN 0.203 nan 8.190 nan 0.000 0.447 942 R N -1.103 119.379 120.500 -0.030 0.000 2.070 942 R HA -0.215 4.125 4.340 -0.001 0.000 0.233 942 R C 2.285 178.524 176.300 -0.102 0.000 1.137 942 R CA 2.101 58.130 56.100 -0.117 0.000 0.945 942 R CB -0.512 29.815 30.300 0.046 0.000 0.845 942 R HN 0.745 nan 8.270 nan 0.000 0.430 943 W N 3.430 124.608 121.300 -0.204 0.000 2.335 943 W HA -0.277 4.383 4.660 -0.001 0.000 0.311 943 W C 1.585 178.025 176.519 -0.132 0.000 1.213 943 W CA 1.983 59.167 57.345 -0.269 0.000 1.274 943 W CB -0.079 29.376 29.460 -0.008 0.000 1.148 943 W HN 0.082 nan 8.180 nan 0.000 0.498 944 K N -0.145 120.160 120.400 -0.160 0.000 2.362 944 K HA -0.119 4.201 4.320 -0.001 0.000 0.200 944 K C 1.271 177.698 176.600 -0.289 0.000 1.046 944 K CA 1.471 57.606 56.287 -0.253 0.000 0.952 944 K CB -0.589 31.906 32.500 -0.008 0.000 0.753 944 K HN 0.026 nan 8.250 nan 0.000 0.466 945 N N 0.481 119.033 118.700 -0.247 0.000 2.280 945 N HA 0.059 4.798 4.740 -0.001 0.000 0.192 945 N C -0.081 175.325 175.510 -0.172 0.000 1.109 945 N CA 0.018 52.948 53.050 -0.199 0.000 0.855 945 N CB 0.293 38.645 38.487 -0.225 0.000 0.974 945 N HN 0.300 nan 8.380 nan 0.000 0.482 946 M N 1.055 120.491 119.600 -0.273 0.000 2.228 946 M HA 0.059 4.539 4.480 -0.001 0.000 0.351 946 M C -0.334 175.748 176.300 -0.364 0.000 1.233 946 M CA -0.293 54.835 55.300 -0.287 0.000 1.129 946 M CB 0.516 32.846 32.600 -0.450 0.000 1.604 946 M HN 0.015 nan 8.290 nan 0.000 0.457 947 Y N 4.338 124.436 120.300 -0.336 0.000 2.741 947 Y HA -0.097 4.453 4.550 -0.001 0.000 0.351 947 Y C 0.565 176.142 175.900 -0.537 0.000 1.274 947 Y CA 0.545 58.309 58.100 -0.560 0.000 1.482 947 Y CB 0.358 38.179 38.460 -1.065 0.000 1.357 947 Y HN 0.480 nan 8.280 nan 0.000 0.657 948 K N 0.136 120.365 120.400 -0.285 0.000 2.433 948 K HA 0.417 4.737 4.320 -0.001 0.000 0.252 948 K C -1.158 175.307 176.600 -0.224 0.000 1.015 948 K CA -1.362 54.806 56.287 -0.198 0.000 0.860 948 K CB 1.221 33.650 32.500 -0.118 0.000 1.359 948 K HN 0.363 nan 8.250 nan 0.000 0.452 949 E N 0.318 120.494 120.200 -0.041 0.000 2.820 949 E HA 0.011 4.360 4.350 -0.001 0.000 0.251 949 E C 0.802 177.347 176.600 -0.093 0.000 0.944 949 E CA 2.268 58.654 56.400 -0.024 0.000 0.955 949 E CB -0.592 29.130 29.700 0.037 0.000 0.904 949 E HN 0.813 nan 8.360 nan 0.000 0.513 950 G N 3.867 112.590 108.800 -0.129 0.000 2.195 950 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.246 950 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.246 950 G C -0.043 174.759 174.900 -0.163 0.000 0.984 950 G CA 0.018 45.048 45.100 -0.116 0.000 0.633 950 G HN 0.625 nan 8.290 nan 0.000 0.525 951 D N 0.390 120.647 120.400 -0.238 0.000 2.368 951 D HA 0.462 5.101 4.640 -0.001 0.000 0.240 951 D C 1.169 177.272 176.300 -0.328 0.000 1.169 951 D CA 0.152 54.014 54.000 -0.231 0.000 0.906 951 D CB 0.655 41.364 40.800 -0.150 0.000 1.187 951 D HN 0.322 nan 8.370 nan 0.000 0.435 952 L N 0.946 122.023 121.223 -0.244 0.000 2.325 952 L HA 0.287 4.627 4.340 -0.001 0.000 0.279 952 L C 1.311 177.988 176.870 -0.321 0.000 1.054 952 L CA -0.755 53.911 54.840 -0.290 0.000 0.804 952 L CB 1.374 43.331 42.059 -0.170 0.000 1.200 952 L HN 0.443 nan 8.230 nan 0.000 0.436 953 T N -2.923 111.300 114.554 -0.553 0.000 2.729 953 T HA 0.049 4.398 4.350 -0.001 0.000 0.298 953 T C 1.332 175.895 174.700 -0.229 0.000 1.013 953 T CA -0.277 61.544 62.100 -0.466 0.000 0.957 953 T CB 0.436 68.623 68.868 -1.134 0.000 1.130 953 T HN 0.733 nan 8.240 nan 0.000 0.526 954 H N -0.008 118.984 119.070 -0.131 0.000 2.524 954 H HA 0.036 4.592 4.556 -0.001 0.000 0.282 954 H C 1.216 176.606 175.328 0.103 0.000 1.016 954 H CA 0.704 56.772 56.048 0.033 0.000 1.270 954 H CB -0.803 29.045 29.762 0.142 0.000 1.394 954 H HN 0.752 nan 8.280 nan 0.000 0.568 955 F N 0.473 120.162 119.950 -0.436 0.000 2.660 955 F HA 0.411 4.938 4.527 -0.001 0.000 0.297 955 F C 0.011 175.794 175.800 -0.029 0.000 1.132 955 F CA -0.922 56.952 58.000 -0.210 0.000 1.372 955 F CB -0.138 38.632 39.000 -0.383 0.000 1.003 955 F HN -0.146 nan 8.300 nan 0.000 0.524 956 N N 0.914 119.457 118.700 -0.261 0.000 2.782 956 N HA -0.260 4.479 4.740 -0.001 0.000 0.251 956 N C -0.116 175.304 175.510 -0.151 0.000 1.101 956 N CA 1.047 54.013 53.050 -0.140 0.000 0.764 956 N CB -1.157 37.328 38.487 -0.003 0.000 1.122 956 N HN 0.769 nan 8.380 nan 0.000 0.561 957 Q N 0.526 120.127 119.800 -0.331 0.000 2.243 957 Q HA 0.333 4.673 4.340 -0.001 0.000 0.252 957 Q C 0.099 175.962 176.000 -0.228 0.000 0.909 957 Q CA -0.591 55.111 55.803 -0.169 0.000 0.922 957 Q CB 1.071 29.827 28.738 0.031 0.000 1.215 957 Q HN 0.207 nan 8.270 nan 0.000 0.427 958 R N 3.706 124.143 120.500 -0.105 0.000 2.389 958 R HA 0.199 4.539 4.340 -0.001 0.000 0.295 958 R C -0.844 175.405 176.300 -0.085 0.000 1.075 958 R CA -0.164 55.863 56.100 -0.121 0.000 1.005 958 R CB 0.333 30.598 30.300 -0.059 0.000 0.987 958 R HN 0.620 nan 8.270 nan 0.000 0.452 959 L N 5.070 126.164 121.223 -0.215 0.000 2.334 959 L HA 0.233 4.573 4.340 -0.001 0.000 0.286 959 L C -0.104 176.765 176.870 -0.003 0.000 1.108 959 L CA 0.160 54.907 54.840 -0.155 0.000 0.875 959 L CB 0.781 42.531 42.059 -0.515 0.000 1.246 959 L HN 0.571 nan 8.230 nan 0.000 0.439 960 E N 2.160 122.434 120.200 0.123 0.000 2.166 960 E HA 0.415 4.765 4.350 -0.001 0.000 0.275 960 E C 0.589 177.301 176.600 0.186 0.000 0.941 960 E CA -0.404 56.063 56.400 0.113 0.000 0.784 960 E CB 1.724 31.471 29.700 0.079 0.000 1.115 960 E HN 0.697 nan 8.360 nan 0.000 0.399 961 G N 3.301 112.185 108.800 0.140 0.000 2.314 961 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.292 961 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.292 961 G C -0.333 174.670 174.900 0.171 0.000 1.059 961 G CA -0.075 45.109 45.100 0.140 0.000 0.982 961 G HN 0.482 nan 8.290 nan 0.000 0.505 962 F N 2.267 122.159 119.950 -0.096 0.000 2.490 962 F HA 0.444 4.971 4.527 -0.001 0.000 0.357 962 F C 1.450 176.978 175.800 -0.454 0.000 1.166 962 F CA -0.356 57.401 58.000 -0.405 0.000 1.116 962 F CB 0.527 39.340 39.000 -0.312 0.000 1.171 962 F HN 0.300 nan 8.300 nan 0.000 0.576 963 S N 2.910 118.020 115.700 -0.985 0.000 2.577 963 S HA 0.029 4.499 4.470 -0.001 0.000 0.219 963 S C 1.557 175.800 174.600 -0.594 0.000 0.962 963 S CA 0.272 58.157 58.200 -0.524 0.000 0.921 963 S CB -0.435 62.663 63.200 -0.170 0.000 0.789 963 S HN 0.402 nan 8.310 nan 0.000 0.497 964 V N 2.754 121.976 119.914 -1.153 0.000 2.324 964 V HA -0.096 4.023 4.120 -0.001 0.000 0.250 964 V C -0.347 175.633 176.094 -0.190 0.000 1.060 964 V CA 1.956 63.859 62.300 -0.662 0.000 1.042 964 V CB -1.801 29.494 31.823 -0.880 0.000 0.650 964 V HN 0.401 nan 8.190 nan 0.000 0.450 965 P HA -0.150 nan 4.420 nan 0.000 0.215 965 P C 1.791 179.218 177.300 0.212 0.000 1.157 965 P CA 1.534 64.774 63.100 0.232 0.000 0.868 965 P CB -0.116 31.759 31.700 0.293 0.000 0.788 966 R N -1.080 119.470 120.500 0.083 0.000 2.073 966 R HA -0.125 4.215 4.340 -0.001 0.000 0.234 966 R C 2.377 178.727 176.300 0.082 0.000 1.134 966 R CA 1.695 57.838 56.100 0.072 0.000 0.952 966 R CB -1.403 28.915 30.300 0.030 0.000 0.850 966 R HN 0.245 nan 8.270 nan 0.000 0.433 967 C N -0.284 119.057 119.300 0.068 0.000 2.413 967 C HA -0.163 4.297 4.460 -0.001 0.000 0.276 967 C C 2.411 177.491 174.990 0.150 0.000 1.248 967 C CA 0.232 59.304 59.018 0.090 0.000 1.742 967 C CB -1.099 26.693 27.740 0.087 0.000 2.017 967 C HN 0.670 nan 8.230 nan 0.000 0.481 968 W N 2.028 123.325 121.300 -0.004 0.000 2.353 968 W HA -0.131 4.529 4.660 -0.001 0.000 0.319 968 W C 1.944 178.442 176.519 -0.035 0.000 1.207 968 W CA 1.818 59.166 57.345 0.004 0.000 1.291 968 W CB -0.647 28.871 29.460 0.097 0.000 1.159 968 W HN 0.366 nan 8.180 nan 0.000 0.478 969 D N 0.289 120.799 120.400 0.183 0.000 2.104 969 D HA -0.223 4.417 4.640 -0.001 0.000 0.194 969 D C 1.946 178.224 176.300 -0.036 0.000 0.994 969 D CA 1.943 55.950 54.000 0.011 0.000 0.830 969 D CB -0.590 40.233 40.800 0.038 0.000 0.959 969 D HN 0.434 nan 8.370 nan 0.000 0.452 970 E N 0.104 120.304 120.200 0.000 0.000 2.051 970 E HA -0.145 4.204 4.350 -0.001 0.000 0.192 970 E C 2.346 178.918 176.600 -0.048 0.000 0.991 970 E CA 0.583 56.975 56.400 -0.014 0.000 0.799 970 E CB -0.373 29.331 29.700 0.007 0.000 0.748 970 E HN 0.250 nan 8.360 nan 0.000 0.449 971 C N 1.252 120.509 119.300 -0.071 0.000 2.413 971 C HA -0.142 4.318 4.460 -0.001 0.000 0.276 971 C C 2.721 177.598 174.990 -0.188 0.000 1.236 971 C CA 0.630 59.577 59.018 -0.117 0.000 1.735 971 C CB -1.157 26.508 27.740 -0.126 0.000 2.031 971 C HN 0.369 nan 8.230 nan 0.000 0.474 972 L N 0.777 121.816 121.223 -0.307 0.000 1.997 972 L HA -0.251 4.089 4.340 -0.001 0.000 0.216 972 L C 2.712 179.510 176.870 -0.120 0.000 1.074 972 L CA 2.478 57.123 54.840 -0.324 0.000 0.763 972 L CB -0.792 41.053 42.059 -0.356 0.000 0.890 972 L HN 0.459 nan 8.230 nan 0.000 0.434 973 K N 0.047 120.406 120.400 -0.069 0.000 1.984 973 K HA -0.176 4.143 4.320 -0.001 0.000 0.209 973 K C 2.269 178.861 176.600 -0.014 0.000 1.046 973 K CA 1.803 58.082 56.287 -0.013 0.000 0.934 973 K CB -0.113 32.381 32.500 -0.010 0.000 0.717 973 K HN 0.332 nan 8.250 nan 0.000 0.438 974 S N -0.013 115.671 115.700 -0.027 0.000 2.481 974 S HA -0.072 4.398 4.470 -0.001 0.000 0.231 974 S C 1.790 176.381 174.600 -0.016 0.000 0.996 974 S CA 1.055 59.245 58.200 -0.017 0.000 0.942 974 S CB -0.152 63.038 63.200 -0.015 0.000 0.768 974 S HN 0.427 nan 8.310 nan 0.000 0.520 975 S N 0.661 116.345 115.700 -0.027 0.000 2.558 975 S HA 0.141 4.611 4.470 -0.001 0.000 0.217 975 S C 0.586 175.181 174.600 -0.009 0.000 0.975 975 S CA -0.028 58.163 58.200 -0.016 0.000 0.912 975 S CB -0.725 62.461 63.200 -0.022 0.000 0.776 975 S HN 0.585 nan 8.310 nan 0.000 0.526 976 Q N -0.591 119.206 119.800 -0.004 0.000 2.468 976 Q HA -0.292 4.047 4.340 -0.001 0.000 0.289 976 Q C 0.245 176.234 176.000 -0.018 0.000 1.299 976 Q CA 0.780 56.587 55.803 0.005 0.000 0.838 976 Q CB -2.550 26.187 28.738 -0.001 0.000 1.195 976 Q HN 0.779 nan 8.270 nan 0.000 0.456 977 Y N -0.210 119.966 120.300 -0.207 0.000 2.069 977 Y HA -0.363 4.186 4.550 -0.001 0.000 0.278 977 Y C 1.707 177.422 175.900 -0.309 0.000 1.175 977 Y CA 2.653 60.550 58.100 -0.339 0.000 1.134 977 Y CB -0.368 37.737 38.460 -0.592 0.000 0.965 977 Y HN 0.381 nan 8.280 nan 0.000 0.498 978 Y N -0.728 119.557 120.300 -0.026 0.000 2.163 978 Y HA -0.173 4.376 4.550 -0.001 0.000 0.288 978 Y C 2.708 178.529 175.900 -0.132 0.000 1.136 978 Y CA 1.067 59.109 58.100 -0.095 0.000 1.147 978 Y CB -0.955 37.514 38.460 0.014 0.000 0.987 978 Y HN 0.210 nan 8.280 nan 0.000 0.509 979 A N 0.430 123.290 122.820 0.066 0.000 1.940 979 A HA -0.212 4.108 4.320 -0.001 0.000 0.219 979 A C 2.196 179.745 177.584 -0.058 0.000 1.176 979 A CA 1.735 53.777 52.037 0.009 0.000 0.631 979 A CB -0.498 18.510 19.000 0.014 0.000 0.814 979 A HN 0.401 nan 8.150 nan 0.000 0.446 980 R N -0.788 119.636 120.500 -0.127 0.000 2.119 980 R HA -0.036 4.303 4.340 -0.001 0.000 0.222 980 R C 2.265 178.447 176.300 -0.196 0.000 1.088 980 R CA 1.136 57.147 56.100 -0.148 0.000 0.984 980 R CB -0.246 29.963 30.300 -0.151 0.000 0.884 980 R HN 0.640 nan 8.270 nan 0.000 0.447 981 K N 0.879 121.086 120.400 -0.322 0.000 2.113 981 K HA -0.138 4.182 4.320 -0.001 0.000 0.208 981 K C 1.759 178.284 176.600 -0.126 0.000 1.047 981 K CA 1.863 57.968 56.287 -0.303 0.000 0.928 981 K CB 0.094 32.325 32.500 -0.449 0.000 0.716 981 K HN 0.017 nan 8.250 nan 0.000 0.446 982 S N 1.060 116.713 115.700 -0.077 0.000 2.355 982 S HA -0.162 4.308 4.470 -0.001 0.000 0.222 982 S C 1.771 176.364 174.600 -0.012 0.000 1.031 982 S CA 1.241 59.425 58.200 -0.027 0.000 0.993 982 S CB -0.327 62.868 63.200 -0.010 0.000 0.859 982 S HN 0.446 nan 8.310 nan 0.000 0.453 983 E N 1.200 121.389 120.200 -0.019 0.000 2.160 983 E HA -0.154 4.195 4.350 -0.001 0.000 0.195 983 E C 1.937 178.560 176.600 0.038 0.000 0.991 983 E CA 1.088 57.494 56.400 0.009 0.000 0.810 983 E CB -0.092 29.602 29.700 -0.010 0.000 0.742 983 E HN 0.323 nan 8.360 nan 0.000 0.466 984 V N 1.634 121.544 119.914 -0.005 0.000 2.323 984 V HA -0.206 3.914 4.120 -0.001 0.000 0.244 984 V C 1.840 177.982 176.094 0.080 0.000 1.041 984 V CA 2.051 64.360 62.300 0.015 0.000 1.025 984 V CB -0.425 31.367 31.823 -0.052 0.000 0.656 984 V HN 0.217 nan 8.190 nan 0.000 0.451 985 D N -0.038 120.384 120.400 0.036 0.000 2.123 985 D HA -0.209 4.430 4.640 -0.001 0.000 0.196 985 D C 2.117 178.446 176.300 0.049 0.000 0.992 985 D CA 1.576 55.599 54.000 0.039 0.000 0.833 985 D CB -0.217 40.592 40.800 0.015 0.000 0.954 985 D HN 0.461 nan 8.370 nan 0.000 0.455 986 K N -0.133 120.298 120.400 0.053 0.000 2.025 986 K HA -0.154 4.166 4.320 -0.001 0.000 0.207 986 K C 2.186 178.823 176.600 0.061 0.000 1.049 986 K CA 0.703 57.016 56.287 0.043 0.000 0.933 986 K CB -0.422 32.100 32.500 0.038 0.000 0.714 986 K HN 0.081 nan 8.250 nan 0.000 0.438 987 F N 2.381 122.318 119.950 -0.021 0.000 2.120 987 F HA -0.268 4.259 4.527 -0.001 0.000 0.300 987 F C 1.700 177.492 175.800 -0.014 0.000 1.095 987 F CA 1.860 59.851 58.000 -0.015 0.000 1.249 987 F CB -0.235 38.754 39.000 -0.017 0.000 0.995 987 F HN 0.179 nan 8.300 nan 0.000 0.480 988 N N 0.662 119.468 118.700 0.177 0.000 2.188 988 N HA -0.142 4.598 4.740 -0.001 0.000 0.184 988 N C 1.657 177.132 175.510 -0.059 0.000 1.018 988 N CA 1.349 54.446 53.050 0.078 0.000 0.858 988 N CB -0.349 38.200 38.487 0.104 0.000 0.989 988 N HN 0.391 nan 8.380 nan 0.000 0.426 989 K N 0.774 121.141 120.400 -0.055 0.000 2.148 989 K HA -0.036 4.284 4.320 -0.001 0.000 0.204 989 K C 1.217 177.749 176.600 -0.112 0.000 1.050 989 K CA 0.904 57.147 56.287 -0.074 0.000 0.942 989 K CB 0.015 32.488 32.500 -0.045 0.000 0.724 989 K HN 0.357 nan 8.250 nan 0.000 0.446 990 E N 0.279 120.380 120.200 -0.165 0.000 2.489 990 E HA 0.052 4.402 4.350 -0.001 0.000 0.193 990 E C -0.183 176.259 176.600 -0.263 0.000 1.057 990 E CA 0.077 56.360 56.400 -0.194 0.000 0.866 990 E CB 0.254 29.832 29.700 -0.203 0.000 0.916 990 E HN 0.212 nan 8.360 nan 0.000 0.500 991 N N -0.005 118.500 118.700 -0.324 0.000 2.371 991 N HA 0.079 4.818 4.740 -0.001 0.000 0.291 991 N C -0.590 174.790 175.510 -0.217 0.000 1.053 991 N CA -0.222 52.640 53.050 -0.314 0.000 0.870 991 N CB 1.947 40.068 38.487 -0.610 0.000 1.503 991 N HN -0.022 nan 8.380 nan 0.000 0.485 992 C N 1.785 120.948 119.300 -0.228 0.000 2.518 992 C HA 0.220 4.679 4.460 -0.001 0.000 0.283 992 C C 1.117 175.747 174.990 -0.600 0.000 1.351 992 C CA -0.056 58.664 59.018 -0.497 0.000 1.745 992 C CB -0.606 26.771 27.740 -0.605 0.000 2.107 992 C HN 0.877 nan 8.230 nan 0.000 0.502 993 W N 1.146 122.488 121.300 0.071 0.000 3.008 993 W HA 0.418 5.077 4.660 -0.001 0.000 0.355 993 W C 0.638 177.231 176.519 0.124 0.000 1.095 993 W CA -0.417 56.993 57.345 0.107 0.000 1.738 993 W CB 0.301 29.801 29.460 0.066 0.000 1.091 993 W HN 0.018 nan 8.180 nan 0.000 0.574 994 K N 1.078 121.639 120.400 0.268 0.000 2.375 994 K HA 0.487 4.807 4.320 -0.001 0.000 0.249 994 K C -0.267 176.546 176.600 0.354 0.000 0.942 994 K CA -0.782 55.696 56.287 0.318 0.000 0.806 994 K CB 1.956 34.696 32.500 0.399 0.000 1.227 994 K HN -0.444 nan 8.250 nan 0.000 0.430 995 K N 1.916 122.521 120.400 0.341 0.000 2.532 995 K HA 0.457 4.777 4.320 -0.001 0.000 0.265 995 K C -0.970 175.720 176.600 0.150 0.000 0.948 995 K CA -0.822 55.646 56.287 0.302 0.000 0.842 995 K CB 2.305 34.898 32.500 0.154 0.000 1.392 995 K HN 0.541 nan 8.250 nan 0.000 0.436 996 R N -0.223 120.328 120.500 0.085 0.000 2.832 996 R HA 0.755 5.094 4.340 -0.001 0.000 0.271 996 R C -0.086 176.208 176.300 -0.009 0.000 0.996 996 R CA -1.004 55.052 56.100 -0.073 0.000 0.977 996 R CB 2.043 32.179 30.300 -0.274 0.000 1.168 996 R HN 0.761 nan 8.270 nan 0.000 0.482 997 G N 0.924 109.710 108.800 -0.024 0.000 2.659 997 G HA2 0.586 4.546 3.960 -0.001 0.000 0.296 997 G HA3 0.586 4.546 3.960 -0.001 0.000 0.296 997 G C -2.107 172.793 174.900 -0.000 0.000 1.369 997 G CA -0.434 44.668 45.100 0.004 0.000 0.937 997 G HN 0.340 nan 8.290 nan 0.000 0.485 998 L N 0.669 121.904 121.223 0.020 0.000 2.436 998 L HA 0.836 5.176 4.340 -0.001 0.000 0.268 998 L C -0.986 175.959 176.870 0.125 0.000 0.974 998 L CA -0.631 54.228 54.840 0.032 0.000 0.826 998 L CB 1.765 43.783 42.059 -0.070 0.000 1.291 998 L HN 0.793 nan 8.230 nan 0.000 0.406 999 C N 5.557 124.956 119.300 0.165 0.000 2.880 999 C HA 0.708 5.168 4.460 -0.001 0.000 0.320 999 C C -1.117 173.953 174.990 0.133 0.000 1.176 999 C CA -0.819 58.312 59.018 0.188 0.000 1.390 999 C CB 1.093 28.947 27.740 0.190 0.000 1.846 999 C HN 0.924 nan 8.230 nan 0.000 0.478 1000 I N 6.999 127.584 120.570 0.025 0.000 2.436 1000 I HA 0.754 4.923 4.170 -0.001 0.000 0.289 1000 I C -0.742 175.402 176.117 0.045 0.000 1.010 1000 I CA -0.632 60.593 61.300 -0.125 0.000 1.098 1000 I CB 1.169 38.800 38.000 -0.615 0.000 1.266 1000 I HN 0.797 nan 8.210 nan 0.000 0.434 1001 I N 6.493 127.149 120.570 0.145 0.000 2.865 1001 I HA 0.791 4.960 4.170 -0.001 0.000 0.302 1001 I C -3.008 173.316 176.117 0.345 0.000 1.140 1001 I CA -2.094 59.373 61.300 0.278 0.000 1.021 1001 I CB 2.503 40.600 38.000 0.162 0.000 1.233 1001 I HN 0.261 nan 8.210 nan 0.000 0.427 1002 P HA 0.515 nan 4.420 nan 0.000 0.288 1002 P C -1.025 176.443 177.300 0.281 0.000 1.297 1002 P CA -0.439 62.841 63.100 0.300 0.000 0.864 1002 P CB 2.389 34.192 31.700 0.171 0.000 1.237 1003 T N -1.297 113.414 114.554 0.262 0.000 2.889 1003 T HA 0.543 4.893 4.350 -0.001 0.000 0.315 1003 T C -1.635 173.239 174.700 0.290 0.000 1.291 1003 T CA -0.686 61.586 62.100 0.288 0.000 1.028 1003 T CB 1.049 70.174 68.868 0.429 0.000 1.235 1003 T HN 0.664 nan 8.240 nan 0.000 0.491 1004 K N 1.915 122.494 120.400 0.298 0.000 2.477 1004 K HA 0.776 5.096 4.320 -0.001 0.000 0.255 1004 K C -1.983 174.865 176.600 0.413 0.000 0.952 1004 K CA -0.894 55.592 56.287 0.332 0.000 0.826 1004 K CB 2.171 34.894 32.500 0.371 0.000 1.331 1004 K HN 0.436 nan 8.250 nan 0.000 0.437 1005 F N 0.770 120.811 119.950 0.152 0.000 2.557 1005 F HA 0.446 4.973 4.527 -0.001 0.000 0.316 1005 F C -0.264 175.493 175.800 -0.071 0.000 1.141 1005 F CA -0.246 57.835 58.000 0.134 0.000 0.922 1005 F CB 2.199 41.174 39.000 -0.042 0.000 1.194 1005 F HN 0.811 nan 8.300 nan 0.000 0.443 1006 G N 6.151 114.519 108.800 -0.720 0.000 2.380 1006 G HA2 0.440 4.400 3.960 -0.001 0.000 0.262 1006 G HA3 0.440 4.400 3.960 -0.001 0.000 0.262 1006 G C -0.784 173.358 174.900 -1.264 0.000 1.243 1006 G CA -0.432 43.573 45.100 -1.825 0.000 0.865 1006 G HN 0.439 nan 8.290 nan 0.000 0.513 1007 I N 2.529 122.556 120.570 -0.905 0.000 2.291 1007 I HA 0.474 4.644 4.170 -0.001 0.000 0.290 1007 I C 0.474 176.392 176.117 -0.331 0.000 1.050 1007 I CA -0.486 60.451 61.300 -0.604 0.000 1.245 1007 I CB -0.415 36.976 38.000 -1.015 0.000 1.405 1007 I HN 0.734 nan 8.210 nan 0.000 0.478 1008 S N 5.149 120.729 115.700 -0.200 0.000 2.716 1008 S HA 0.268 4.737 4.470 -0.001 0.000 0.277 1008 S C -0.969 173.528 174.600 -0.172 0.000 0.874 1008 S CA -0.978 57.128 58.200 -0.157 0.000 1.049 1008 S CB -0.365 62.791 63.200 -0.074 0.000 1.319 1008 S HN 0.127 nan 8.310 nan 0.000 0.457 1009 F N 2.062 121.928 119.950 -0.140 0.000 2.518 1009 F HA 0.378 4.904 4.527 -0.001 0.000 0.359 1009 F C 2.345 178.056 175.800 -0.149 0.000 1.118 1009 F CA 0.654 58.557 58.000 -0.160 0.000 1.287 1009 F CB 1.088 39.955 39.000 -0.222 0.000 1.132 1009 F HN 0.886 nan 8.300 nan 0.000 0.587 1010 T N -1.564 113.050 114.554 0.099 0.000 3.067 1010 T HA 0.047 4.397 4.350 -0.001 0.000 0.261 1010 T C 0.465 175.208 174.700 0.071 0.000 1.110 1010 T CA 0.310 62.409 62.100 -0.002 0.000 1.113 1010 T CB -0.617 68.335 68.868 0.139 0.000 0.917 1010 T HN 0.363 nan 8.240 nan 0.000 0.499 1011 V N 0.399 120.355 119.914 0.070 0.000 2.427 1011 V HA 0.384 4.503 4.120 -0.001 0.000 0.268 1011 V C -1.791 174.229 176.094 -0.123 0.000 1.046 1011 V CA -1.957 60.337 62.300 -0.010 0.000 0.970 1011 V CB 1.030 32.793 31.823 -0.101 0.000 1.001 1011 V HN -0.043 nan 8.190 nan 0.000 0.476 1012 P HA -0.097 nan 4.420 nan 0.000 0.219 1012 P C 1.361 178.625 177.300 -0.058 0.000 1.146 1012 P CA 1.396 64.480 63.100 -0.028 0.000 0.808 1012 P CB -0.082 31.637 31.700 0.032 0.000 0.779 1013 F N -1.633 118.285 119.950 -0.053 0.000 2.546 1013 F HA 0.025 4.552 4.527 -0.001 0.000 0.298 1013 F C 1.488 177.203 175.800 -0.142 0.000 1.120 1013 F CA 0.767 58.721 58.000 -0.077 0.000 1.456 1013 F CB -1.536 37.428 39.000 -0.060 0.000 1.088 1013 F HN -0.199 nan 8.300 nan 0.000 0.572 1014 L N 0.649 121.419 121.223 -0.756 0.000 2.418 1014 L HA 0.008 4.348 4.340 -0.001 0.000 0.218 1014 L C 0.736 177.308 176.870 -0.497 0.000 1.125 1014 L CA 0.298 54.635 54.840 -0.838 0.000 0.835 1014 L CB -0.641 40.494 42.059 -1.540 0.000 0.953 1014 L HN 0.143 nan 8.230 nan 0.000 0.454 1015 N N 2.674 121.238 118.700 -0.226 0.000 3.254 1015 N HA 0.046 4.785 4.740 -0.001 0.000 0.308 1015 N C -0.474 174.930 175.510 -0.177 0.000 1.281 1015 N CA 0.185 53.185 53.050 -0.085 0.000 1.212 1015 N CB 0.208 38.659 38.487 -0.060 0.000 1.478 1015 N HN 0.522 nan 8.380 nan 0.000 0.548 1016 Q N -0.891 118.782 119.800 -0.213 0.000 2.377 1016 Q HA 0.805 5.145 4.340 -0.001 0.000 0.279 1016 Q C -1.857 173.915 176.000 -0.380 0.000 1.049 1016 Q CA -1.263 54.333 55.803 -0.344 0.000 0.825 1016 Q CB 2.217 30.862 28.738 -0.156 0.000 1.401 1016 Q HN 0.087 nan 8.270 nan 0.000 0.404 1017 A N 0.898 123.354 122.820 -0.606 0.000 2.517 1017 A HA 0.865 5.184 4.320 -0.001 0.000 0.297 1017 A C -0.743 176.696 177.584 -0.242 0.000 1.050 1017 A CA -0.159 51.658 52.037 -0.366 0.000 0.694 1017 A CB 1.843 20.450 19.000 -0.655 0.000 1.277 1017 A HN 0.906 nan 8.150 nan 0.000 0.400 1018 G N -0.054 108.879 108.800 0.222 0.000 2.432 1018 G HA2 0.847 4.806 3.960 -0.001 0.000 0.331 1018 G HA3 0.847 4.806 3.960 -0.001 0.000 0.331 1018 G C -0.312 174.784 174.900 0.327 0.000 1.170 1018 G CA 0.055 45.364 45.100 0.350 0.000 0.943 1018 G HN 1.794 nan 8.290 nan 0.000 0.483 1019 A N -0.076 122.895 122.820 0.252 0.000 2.479 1019 A HA 0.864 5.183 4.320 -0.001 0.000 0.296 1019 A C -1.652 175.997 177.584 0.109 0.000 1.121 1019 A CA -0.682 51.467 52.037 0.185 0.000 0.743 1019 A CB 2.132 21.234 19.000 0.169 0.000 1.323 1019 A HN 1.529 nan 8.150 nan 0.000 0.415 1020 L N 0.814 122.056 121.223 0.031 0.000 2.516 1020 L HA 0.738 5.078 4.340 -0.001 0.000 0.267 1020 L C -1.754 175.004 176.870 -0.187 0.000 0.957 1020 L CA -0.003 54.800 54.840 -0.061 0.000 0.860 1020 L CB 1.332 43.347 42.059 -0.073 0.000 1.265 1020 L HN 0.616 nan 8.230 nan 0.000 0.403 1021 I N 4.485 124.937 120.570 -0.198 0.000 2.545 1021 I HA 0.473 4.643 4.170 -0.001 0.000 0.292 1021 I C -0.950 175.024 176.117 -0.239 0.000 1.040 1021 I CA -0.786 60.389 61.300 -0.208 0.000 1.068 1021 I CB 1.863 39.845 38.000 -0.031 0.000 1.251 1021 I HN 0.554 nan 8.210 nan 0.000 0.424 1022 H N 4.887 123.928 119.070 -0.048 0.000 2.524 1022 H HA 0.532 5.087 4.556 -0.001 0.000 0.353 1022 H C -0.792 174.413 175.328 -0.206 0.000 1.136 1022 H CA -0.815 55.106 56.048 -0.212 0.000 1.193 1022 H CB 2.481 31.972 29.762 -0.451 0.000 1.558 1022 H HN 0.165 nan 8.280 nan 0.000 0.515 1023 V N 4.008 123.879 119.914 -0.073 0.000 2.398 1023 V HA 0.205 4.325 4.120 -0.001 0.000 0.286 1023 V C -0.278 175.696 176.094 -0.200 0.000 1.026 1023 V CA -0.734 61.557 62.300 -0.015 0.000 0.868 1023 V CB 0.404 32.286 31.823 0.098 0.000 0.982 1023 V HN 0.582 nan 8.190 nan 0.000 0.443 1024 Y N 1.746 122.092 120.300 0.076 0.000 2.344 1024 Y HA 0.250 4.800 4.550 -0.000 0.000 0.330 1024 Y C 2.046 177.901 175.900 -0.075 0.000 1.330 1024 Y CA 0.131 58.221 58.100 -0.016 0.000 1.479 1024 Y CB 0.847 39.300 38.460 -0.013 0.000 1.428 1024 Y HN 0.723 nan 8.280 nan 0.000 0.544 1025 T N -3.507 111.048 114.554 0.001 0.000 3.118 1025 T HA -0.104 4.245 4.350 -0.001 0.000 0.260 1025 T C 0.730 175.388 174.700 -0.069 0.000 1.139 1025 T CA 0.851 62.868 62.100 -0.138 0.000 1.085 1025 T CB -0.348 68.296 68.868 -0.374 0.000 0.934 1025 T HN 0.699 nan 8.240 nan 0.000 0.518 1026 D N 0.909 121.311 120.400 0.004 0.000 2.328 1026 D HA 0.188 4.827 4.640 -0.001 0.000 0.226 1026 D C 1.695 178.035 176.300 0.065 0.000 1.066 1026 D CA 0.485 54.494 54.000 0.014 0.000 0.861 1026 D CB -0.750 40.058 40.800 0.013 0.000 0.912 1026 D HN 0.526 nan 8.370 nan 0.000 0.521 1027 G N 0.580 109.425 108.800 0.076 0.000 2.245 1027 G HA2 -0.337 3.622 3.960 -0.001 0.000 0.264 1027 G HA3 -0.337 3.622 3.960 -0.001 0.000 0.264 1027 G C 0.489 175.647 174.900 0.431 0.000 0.985 1027 G CA 0.618 45.843 45.100 0.207 0.000 0.625 1027 G HN 0.849 nan 8.290 nan 0.000 0.536 1028 S N -0.575 115.296 115.700 0.286 0.000 2.568 1028 S HA 0.569 5.039 4.470 -0.001 0.000 0.282 1028 S C 0.105 174.918 174.600 0.354 0.000 1.338 1028 S CA 0.060 58.426 58.200 0.276 0.000 1.045 1028 S CB 2.326 65.634 63.200 0.181 0.000 0.873 1028 S HN 1.124 nan 8.310 nan 0.000 0.516 1029 V N 3.089 123.180 119.914 0.296 0.000 2.495 1029 V HA 0.541 4.661 4.120 -0.001 0.000 0.298 1029 V C -0.522 175.730 176.094 0.264 0.000 1.031 1029 V CA -0.815 61.644 62.300 0.266 0.000 0.871 1029 V CB 1.365 33.308 31.823 0.200 0.000 0.988 1029 V HN 0.878 nan 8.190 nan 0.000 0.432 1030 L N 6.123 127.505 121.223 0.266 0.000 2.325 1030 L HA 0.716 5.055 4.340 -0.001 0.000 0.281 1030 L C -0.636 176.276 176.870 0.071 0.000 1.004 1030 L CA 0.027 55.013 54.840 0.244 0.000 0.823 1030 L CB 1.697 44.009 42.059 0.422 0.000 1.236 1030 L HN 0.453 nan 8.230 nan 0.000 0.415 1031 V N 3.917 123.849 119.914 0.031 0.000 2.435 1031 V HA 0.662 4.781 4.120 -0.001 0.000 0.290 1031 V C -0.085 175.976 176.094 -0.055 0.000 1.030 1031 V CA -0.383 61.909 62.300 -0.012 0.000 0.881 1031 V CB 1.711 33.552 31.823 0.031 0.000 0.983 1031 V HN 0.827 nan 8.190 nan 0.000 0.445 1032 S N 3.411 119.070 115.700 -0.068 0.000 2.521 1032 S HA 0.814 5.283 4.470 -0.001 0.000 0.295 1032 S C -0.955 173.625 174.600 -0.034 0.000 1.098 1032 S CA -0.568 57.559 58.200 -0.121 0.000 0.999 1032 S CB 0.919 64.047 63.200 -0.120 0.000 1.034 1032 S HN 1.072 nan 8.310 nan 0.000 0.483 1033 H N 0.086 119.087 119.070 -0.115 0.000 2.977 1033 H HA 0.648 5.203 4.556 -0.001 0.000 0.350 1033 H C 0.954 176.125 175.328 -0.262 0.000 1.238 1033 H CA -0.602 55.370 56.048 -0.127 0.000 1.124 1033 H CB 0.689 30.378 29.762 -0.121 0.000 1.866 1033 H HN 0.552 nan 8.280 nan 0.000 0.550 1034 G N -0.161 108.490 108.800 -0.248 0.000 2.679 1034 G HA2 0.173 4.132 3.960 -0.001 0.000 0.212 1034 G HA3 0.173 4.132 3.960 -0.001 0.000 0.212 1034 G C 0.645 175.191 174.900 -0.590 0.000 1.137 1034 G CA 0.172 45.100 45.100 -0.287 0.000 0.787 1034 G HN 0.872 nan 8.290 nan 0.000 0.534 1035 G N -0.095 108.055 108.800 -1.084 0.000 2.476 1035 G HA2 0.466 4.426 3.960 -0.001 0.000 0.269 1035 G HA3 0.466 4.426 3.960 -0.001 0.000 0.269 1035 G C 0.053 174.801 174.900 -0.253 0.000 1.195 1035 G CA 0.289 45.048 45.100 -0.569 0.000 0.843 1035 G HN 0.338 nan 8.290 nan 0.000 0.545 1036 T N -1.470 112.992 114.554 -0.152 0.000 2.918 1036 T HA 0.555 4.905 4.350 -0.001 0.000 0.286 1036 T C -0.412 174.130 174.700 -0.263 0.000 1.026 1036 T CA -0.812 61.193 62.100 -0.160 0.000 1.031 1036 T CB 2.271 71.072 68.868 -0.112 0.000 1.046 1036 T HN 0.447 nan 8.240 nan 0.000 0.479 1037 E N 2.054 122.042 120.200 -0.354 0.000 2.194 1037 E HA 0.369 4.719 4.350 -0.001 0.000 0.284 1037 E C 0.418 176.929 176.600 -0.148 0.000 1.035 1037 E CA -0.633 55.562 56.400 -0.341 0.000 0.836 1037 E CB 0.670 30.168 29.700 -0.337 0.000 1.070 1037 E HN 0.766 nan 8.360 nan 0.000 0.401 1038 M N 2.501 122.023 119.600 -0.130 0.000 2.502 1038 M HA 0.479 4.958 4.480 -0.001 0.000 0.351 1038 M C 0.770 177.008 176.300 -0.104 0.000 1.118 1038 M CA 0.181 55.396 55.300 -0.142 0.000 0.952 1038 M CB 0.740 33.195 32.600 -0.243 0.000 1.424 1038 M HN 0.585 nan 8.290 nan 0.000 0.529 1039 G N 1.718 110.525 108.800 0.012 0.000 2.231 1039 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.206 1039 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.206 1039 G C 0.808 175.784 174.900 0.127 0.000 0.996 1039 G CA 0.348 45.491 45.100 0.071 0.000 0.645 1039 G HN 0.604 nan 8.290 nan 0.000 0.498 1040 Q N 1.453 121.283 119.800 0.051 0.000 2.451 1040 Q HA 0.339 4.679 4.340 -0.001 0.000 0.206 1040 Q C 1.593 177.609 176.000 0.027 0.000 0.947 1040 Q CA 1.354 57.177 55.803 0.033 0.000 0.937 1040 Q CB -0.150 28.578 28.738 -0.017 0.000 1.025 1040 Q HN 1.907 nan 8.270 nan 0.000 0.511 1041 G N 1.728 110.537 108.800 0.015 0.000 2.137 1041 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.237 1041 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.237 1041 G C 0.352 175.147 174.900 -0.177 0.000 1.002 1041 G CA 0.412 45.410 45.100 -0.170 0.000 0.702 1041 G HN 0.400 nan 8.290 nan 0.000 0.515 1042 L N 0.056 121.177 121.223 -0.171 0.000 2.027 1042 L HA 0.106 4.446 4.340 -0.001 0.000 0.206 1042 L C 2.572 179.384 176.870 -0.096 0.000 1.074 1042 L CA 2.767 57.523 54.840 -0.141 0.000 0.745 1042 L CB -0.466 41.512 42.059 -0.134 0.000 0.898 1042 L HN 0.370 nan 8.230 nan 0.000 0.433 1043 H N -0.824 118.211 119.070 -0.059 0.000 2.352 1043 H HA -0.113 4.442 4.556 -0.001 0.000 0.299 1043 H C 2.160 177.422 175.328 -0.109 0.000 1.097 1043 H CA 1.843 57.868 56.048 -0.038 0.000 1.311 1043 H CB -1.005 28.712 29.762 -0.074 0.000 1.377 1043 H HN 0.366 nan 8.280 nan 0.000 0.504 1044 T N 1.121 115.624 114.554 -0.085 0.000 2.652 1044 T HA -0.127 4.223 4.350 -0.001 0.000 0.267 1044 T C 2.061 176.730 174.700 -0.053 0.000 1.039 1044 T CA 1.471 63.509 62.100 -0.104 0.000 1.153 1044 T CB -0.011 68.732 68.868 -0.209 0.000 0.863 1044 T HN 0.342 nan 8.240 nan 0.000 0.428 1045 K N 0.465 120.827 120.400 -0.063 0.000 2.063 1045 K HA -0.014 4.306 4.320 -0.001 0.000 0.208 1045 K C 2.371 178.961 176.600 -0.018 0.000 1.048 1045 K CA 1.146 57.412 56.287 -0.035 0.000 0.928 1045 K CB -0.157 32.318 32.500 -0.042 0.000 0.713 1045 K HN 0.242 nan 8.250 nan 0.000 0.442 1046 M N 0.294 119.873 119.600 -0.036 0.000 2.229 1046 M HA -0.111 4.369 4.480 -0.001 0.000 0.264 1046 M C 2.174 178.477 176.300 0.004 0.000 1.063 1046 M CA 1.213 56.485 55.300 -0.046 0.000 1.114 1046 M CB -0.505 32.004 32.600 -0.152 0.000 1.387 1046 M HN -0.037 nan 8.290 nan 0.000 0.420 1047 V N 0.061 119.981 119.914 0.009 0.000 2.488 1047 V HA -0.206 3.913 4.120 -0.001 0.000 0.246 1047 V C 2.353 178.456 176.094 0.015 0.000 1.046 1047 V CA 1.235 63.543 62.300 0.013 0.000 1.053 1047 V CB -0.548 31.280 31.823 0.008 0.000 0.679 1047 V HN 0.487 nan 8.190 nan 0.000 0.458 1048 Q N -0.501 119.306 119.800 0.012 0.000 2.061 1048 Q HA -0.189 4.150 4.340 -0.001 0.000 0.204 1048 Q C 2.375 178.400 176.000 0.042 0.000 0.984 1048 Q CA 1.911 57.720 55.803 0.010 0.000 0.846 1048 Q CB -0.351 28.388 28.738 0.002 0.000 0.902 1048 Q HN 0.508 nan 8.270 nan 0.000 0.421 1049 V N 0.866 120.839 119.914 0.098 0.000 2.295 1049 V HA -0.291 3.829 4.120 -0.001 0.000 0.246 1049 V C 2.245 178.464 176.094 0.208 0.000 1.049 1049 V CA 1.933 64.375 62.300 0.238 0.000 1.024 1049 V CB -0.907 31.035 31.823 0.197 0.000 0.648 1049 V HN 0.422 nan 8.190 nan 0.000 0.447 1050 A N -0.612 122.269 122.820 0.102 0.000 1.898 1050 A HA -0.218 4.101 4.320 -0.001 0.000 0.216 1050 A C 2.573 180.168 177.584 0.017 0.000 1.181 1050 A CA 2.140 54.215 52.037 0.063 0.000 0.620 1050 A CB -0.795 18.226 19.000 0.035 0.000 0.819 1050 A HN 0.538 nan 8.150 nan 0.000 0.442 1051 S N -0.092 115.605 115.700 -0.005 0.000 2.359 1051 S HA -0.258 4.212 4.470 -0.001 0.000 0.224 1051 S C 2.138 176.710 174.600 -0.046 0.000 1.035 1051 S CA 2.062 60.229 58.200 -0.055 0.000 1.018 1051 S CB -0.356 62.814 63.200 -0.050 0.000 0.876 1051 S HN 0.631 nan 8.310 nan 0.000 0.448 1052 K N 0.666 121.060 120.400 -0.010 0.000 2.002 1052 K HA 0.000 4.320 4.320 -0.001 0.000 0.209 1052 K C 2.273 178.909 176.600 0.060 0.000 1.048 1052 K CA 1.279 57.547 56.287 -0.031 0.000 0.930 1052 K CB -0.729 31.661 32.500 -0.183 0.000 0.714 1052 K HN 0.406 nan 8.250 nan 0.000 0.438 1053 A N 1.067 123.989 122.820 0.169 0.000 1.978 1053 A HA -0.108 4.211 4.320 -0.001 0.000 0.220 1053 A C 2.008 179.609 177.584 0.028 0.000 1.170 1053 A CA 1.350 53.472 52.037 0.142 0.000 0.636 1053 A CB -0.412 18.636 19.000 0.080 0.000 0.810 1053 A HN 0.390 nan 8.150 nan 0.000 0.448 1054 L N -2.440 118.770 121.223 -0.023 0.000 2.554 1054 L HA 0.090 4.430 4.340 -0.001 0.000 0.225 1054 L C 0.029 176.836 176.870 -0.105 0.000 1.104 1054 L CA 0.023 54.818 54.840 -0.074 0.000 0.866 1054 L CB 0.099 42.034 42.059 -0.207 0.000 1.047 1054 L HN 0.235 nan 8.230 nan 0.000 0.468 1055 K N 1.345 121.700 120.400 -0.075 0.000 3.257 1055 K HA -0.182 4.138 4.320 -0.001 0.000 0.270 1055 K C -0.476 176.035 176.600 -0.148 0.000 0.984 1055 K CA 0.814 57.065 56.287 -0.060 0.000 0.739 1055 K CB -1.768 30.749 32.500 0.028 0.000 1.351 1055 K HN 0.550 nan 8.250 nan 0.000 0.463 1056 I N -4.583 115.829 120.570 -0.263 0.000 3.002 1056 I HA 0.764 4.934 4.170 -0.001 0.000 0.310 1056 I C -2.504 173.487 176.117 -0.210 0.000 1.087 1056 I CA -3.204 57.891 61.300 -0.342 0.000 1.017 1056 I CB 2.599 40.147 38.000 -0.754 0.000 1.226 1056 I HN -0.254 nan 8.210 nan 0.000 0.443 1057 P HA 0.262 nan 4.420 nan 0.000 0.274 1057 P C 1.019 178.272 177.300 -0.078 0.000 1.231 1057 P CA -0.366 62.679 63.100 -0.092 0.000 0.790 1057 P CB 0.737 32.400 31.700 -0.062 0.000 0.951 1058 I N -0.109 120.436 120.570 -0.040 0.000 2.423 1058 I HA -0.257 3.912 4.170 -0.001 0.000 0.254 1058 I C 1.773 177.895 176.117 0.010 0.000 1.151 1058 I CA 2.095 63.387 61.300 -0.013 0.000 1.421 1058 I CB -1.271 36.731 38.000 0.005 0.000 1.079 1058 I HN 0.259 nan 8.210 nan 0.000 0.431 1059 S N 1.445 117.149 115.700 0.005 0.000 2.440 1059 S HA -0.142 4.328 4.470 -0.001 0.000 0.238 1059 S C 1.743 176.358 174.600 0.024 0.000 1.010 1059 S CA 0.964 59.176 58.200 0.021 0.000 0.972 1059 S CB -0.603 62.604 63.200 0.011 0.000 0.774 1059 S HN 0.623 nan 8.310 nan 0.000 0.501 1060 K N 0.419 120.819 120.400 0.000 0.000 2.458 1060 K HA 0.373 4.693 4.320 -0.001 0.000 0.194 1060 K C -0.228 176.412 176.600 0.066 0.000 1.024 1060 K CA 0.148 56.448 56.287 0.023 0.000 1.108 1060 K CB 0.006 32.486 32.500 -0.033 0.000 0.846 1060 K HN 0.468 nan 8.250 nan 0.000 0.518 1061 I N -0.064 120.552 120.570 0.076 0.000 2.608 1061 I HA 0.297 4.466 4.170 -0.001 0.000 0.295 1061 I C -1.188 175.053 176.117 0.206 0.000 1.049 1061 I CA -1.305 60.065 61.300 0.116 0.000 1.063 1061 I CB 1.654 39.684 38.000 0.050 0.000 1.248 1061 I HN -0.139 nan 8.210 nan 0.000 0.424 1062 Y N 5.751 126.070 120.300 0.032 0.000 2.513 1062 Y HA 0.646 5.195 4.550 -0.001 0.000 0.340 1062 Y C -1.496 174.398 175.900 -0.010 0.000 1.055 1062 Y CA -0.920 57.188 58.100 0.013 0.000 1.020 1062 Y CB 1.744 40.217 38.460 0.021 0.000 1.301 1062 Y HN 0.328 nan 8.280 nan 0.000 0.453 1063 I N 4.435 124.613 120.570 -0.654 0.000 2.410 1063 I HA 0.231 4.400 4.170 -0.001 0.000 0.286 1063 I C 0.330 175.895 176.117 -0.921 0.000 1.009 1063 I CA -0.301 60.634 61.300 -0.608 0.000 1.111 1063 I CB 2.087 39.765 38.000 -0.537 0.000 1.262 1063 I HN 0.720 nan 8.210 nan 0.000 0.443 1064 S N 5.274 120.644 115.700 -0.550 0.000 2.387 1064 S HA 0.126 4.595 4.470 -0.001 0.000 0.221 1064 S C 0.404 174.849 174.600 -0.259 0.000 1.041 1064 S CA 0.792 58.795 58.200 -0.327 0.000 0.959 1064 S CB 0.284 63.498 63.200 0.023 0.000 0.843 1064 S HN 0.828 nan 8.310 nan 0.000 0.488 1065 E N -1.402 118.636 120.200 -0.271 0.000 2.388 1065 E HA 0.344 4.694 4.350 -0.001 0.000 0.269 1065 E C -1.690 174.774 176.600 -0.225 0.000 1.172 1065 E CA -1.007 55.283 56.400 -0.184 0.000 0.887 1065 E CB 0.627 30.292 29.700 -0.058 0.000 1.544 1065 E HN -0.004 nan 8.360 nan 0.000 0.451 1066 T N 1.047 115.512 114.554 -0.147 0.000 2.807 1066 T HA 0.682 5.032 4.350 -0.001 0.000 0.279 1066 T C -0.955 173.675 174.700 -0.117 0.000 0.993 1066 T CA -0.496 61.498 62.100 -0.178 0.000 0.970 1066 T CB 1.225 69.994 68.868 -0.165 0.000 0.950 1066 T HN 0.616 nan 8.240 nan 0.000 0.441 1067 S N 0.081 115.715 115.700 -0.109 0.000 2.537 1067 S HA 0.409 4.879 4.470 -0.001 0.000 0.270 1067 S C 0.966 175.525 174.600 -0.068 0.000 1.142 1067 S CA -0.725 57.424 58.200 -0.085 0.000 0.870 1067 S CB 1.274 64.432 63.200 -0.070 0.000 1.112 1067 S HN 0.719 nan 8.310 nan 0.000 0.466 1068 T N -1.072 113.442 114.554 -0.067 0.000 3.072 1068 T HA -0.078 4.272 4.350 -0.001 0.000 0.266 1068 T C 1.091 175.773 174.700 -0.029 0.000 1.127 1068 T CA 1.288 63.359 62.100 -0.047 0.000 1.107 1068 T CB -0.778 68.058 68.868 -0.054 0.000 0.910 1068 T HN 0.743 nan 8.240 nan 0.000 0.513 1069 N N 1.353 120.036 118.700 -0.029 0.000 2.280 1069 N HA 0.002 4.741 4.740 -0.001 0.000 0.192 1069 N C 1.325 176.843 175.510 0.012 0.000 1.109 1069 N CA 0.811 53.855 53.050 -0.009 0.000 0.855 1069 N CB -0.256 38.224 38.487 -0.011 0.000 0.974 1069 N HN 0.620 nan 8.380 nan 0.000 0.482 1070 T N -3.275 111.283 114.554 0.006 0.000 3.056 1070 T HA 0.286 4.635 4.350 -0.001 0.000 0.241 1070 T C 0.366 175.078 174.700 0.019 0.000 1.006 1070 T CA 0.047 62.161 62.100 0.023 0.000 1.115 1070 T CB -0.113 68.760 68.868 0.009 0.000 0.939 1070 T HN -0.112 nan 8.240 nan 0.000 0.462 1071 V N 4.715 124.632 119.914 0.005 0.000 2.409 1071 V HA 0.525 4.644 4.120 -0.001 0.000 0.290 1071 V C -2.566 173.551 176.094 0.038 0.000 1.017 1071 V CA -1.991 60.331 62.300 0.038 0.000 0.841 1071 V CB 1.815 33.668 31.823 0.049 0.000 1.003 1071 V HN 0.356 nan 8.190 nan 0.000 0.426 1072 P HA 0.420 nan 4.420 nan 0.000 0.282 1072 P C -0.369 176.968 177.300 0.062 0.000 1.259 1072 P CA -0.370 62.752 63.100 0.037 0.000 0.826 1072 P CB 0.828 32.545 31.700 0.027 0.000 1.064 1073 N N -1.731 116.992 118.700 0.039 0.000 2.783 1073 N HA -0.112 4.628 4.740 -0.001 0.000 0.247 1073 N C -0.211 175.345 175.510 0.076 0.000 1.089 1073 N CA 0.945 54.025 53.050 0.050 0.000 0.690 1073 N CB -2.287 36.239 38.487 0.064 0.000 0.991 1073 N HN 0.639 nan 8.380 nan 0.000 0.552 1074 S N -1.845 113.892 115.700 0.061 0.000 2.586 1074 S HA 0.590 5.060 4.470 -0.001 0.000 0.274 1074 S C 0.674 175.304 174.600 0.050 0.000 1.281 1074 S CA -0.619 57.642 58.200 0.102 0.000 1.035 1074 S CB 2.070 65.328 63.200 0.096 0.000 0.962 1074 S HN 0.175 nan 8.310 nan 0.000 0.512 1075 S N 3.446 119.172 115.700 0.044 0.000 2.593 1075 S HA 0.367 4.837 4.470 -0.001 0.000 0.269 1075 S C -2.069 172.551 174.600 0.033 0.000 1.334 1075 S CA -0.829 57.325 58.200 -0.078 0.000 1.015 1075 S CB -0.105 62.934 63.200 -0.268 0.000 0.912 1075 S HN 0.727 nan 8.310 nan 0.000 0.541 1076 P HA 0.084 nan 4.420 nan 0.000 0.269 1076 P C -0.790 176.641 177.300 0.219 0.000 1.215 1076 P CA -0.222 62.931 63.100 0.089 0.000 0.780 1076 P CB 0.044 31.791 31.700 0.078 0.000 0.898 1077 T N 1.470 116.112 114.554 0.146 0.000 2.775 1077 T HA 0.508 4.857 4.350 -0.001 0.000 0.287 1077 T C 0.223 174.985 174.700 0.103 0.000 0.909 1077 T CA 0.303 62.496 62.100 0.155 0.000 1.081 1077 T CB -0.511 68.387 68.868 0.050 0.000 0.891 1077 T HN 0.654 nan 8.240 nan 0.000 0.544 1078 A N 2.370 125.248 122.820 0.097 0.000 2.515 1078 A HA 0.790 5.109 4.320 -0.001 0.000 0.292 1078 A C 0.519 177.859 177.584 -0.408 0.000 1.065 1078 A CA -0.327 51.676 52.037 -0.058 0.000 0.641 1078 A CB -0.029 19.012 19.000 0.070 0.000 1.306 1078 A HN 1.625 nan 8.150 nan 0.000 0.441 1079 A N -0.502 122.018 122.820 -0.500 0.000 2.829 1079 A HA 0.065 4.385 4.320 -0.001 0.000 0.267 1079 A C 1.290 178.681 177.584 -0.322 0.000 1.370 1079 A CA 1.942 53.637 52.037 -0.569 0.000 0.900 1079 A CB -2.517 15.795 19.000 -1.146 0.000 1.044 1079 A HN 2.579 nan 8.150 nan 0.000 0.691 1080 S N -4.664 110.916 115.700 -0.200 0.000 3.270 1080 S HA -0.359 4.111 4.470 -0.001 0.000 0.293 1080 S C 1.148 175.675 174.600 -0.122 0.000 1.278 1080 S CA 1.953 60.080 58.200 -0.121 0.000 1.038 1080 S CB -2.601 60.545 63.200 -0.089 0.000 1.218 1080 S HN 2.327 nan 8.310 nan 0.000 0.659 1081 V N -1.770 118.032 119.914 -0.187 0.000 3.647 1081 V HA 0.229 4.348 4.120 -0.001 0.000 0.279 1081 V C 1.708 177.746 176.094 -0.093 0.000 1.314 1081 V CA 0.967 63.179 62.300 -0.147 0.000 1.125 1081 V CB 0.109 31.808 31.823 -0.207 0.000 0.907 1081 V HN 0.409 nan 8.190 nan 0.000 0.434 1082 S N 1.804 117.492 115.700 -0.020 0.000 2.370 1082 S HA -0.208 4.262 4.470 -0.001 0.000 0.226 1082 S C 1.976 176.631 174.600 0.093 0.000 1.033 1082 S CA 2.295 60.572 58.200 0.128 0.000 1.011 1082 S CB -0.700 62.647 63.200 0.246 0.000 0.852 1082 S HN 0.771 nan 8.310 nan 0.000 0.457 1083 T N 2.348 116.912 114.554 0.016 0.000 2.684 1083 T HA -0.126 4.224 4.350 -0.001 0.000 0.267 1083 T C 1.409 176.056 174.700 -0.087 0.000 1.036 1083 T CA 1.644 63.728 62.100 -0.026 0.000 1.148 1083 T CB -0.653 68.200 68.868 -0.025 0.000 0.863 1083 T HN 0.320 nan 8.240 nan 0.000 0.436 1084 D N 1.266 121.611 120.400 -0.090 0.000 2.092 1084 D HA -0.075 4.565 4.640 -0.001 0.000 0.193 1084 D C 2.158 178.275 176.300 -0.304 0.000 0.994 1084 D CA 1.191 55.105 54.000 -0.143 0.000 0.828 1084 D CB -0.391 40.389 40.800 -0.034 0.000 0.963 1084 D HN 0.597 nan 8.370 nan 0.000 0.450 1085 I N -2.735 117.654 120.570 -0.301 0.000 2.429 1085 I HA -0.087 4.082 4.170 -0.001 0.000 0.247 1085 I C 1.832 177.658 176.117 -0.484 0.000 1.099 1085 I CA 0.709 61.765 61.300 -0.407 0.000 1.422 1085 I CB -0.679 37.133 38.000 -0.312 0.000 1.112 1085 I HN -0.083 nan 8.210 nan 0.000 0.430 1086 Y N 2.415 122.639 120.300 -0.128 0.000 2.352 1086 Y HA 0.050 4.600 4.550 -0.001 0.000 0.292 1086 Y C 2.810 178.592 175.900 -0.196 0.000 1.136 1086 Y CA 1.058 59.070 58.100 -0.147 0.000 1.227 1086 Y CB -0.758 37.584 38.460 -0.197 0.000 0.991 1086 Y HN 0.237 nan 8.280 nan 0.000 0.545 1087 G N -0.075 108.653 108.800 -0.121 0.000 2.446 1087 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.217 1087 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.217 1087 G C 1.551 176.337 174.900 -0.190 0.000 1.168 1087 G CA 0.906 45.916 45.100 -0.150 0.000 0.771 1087 G HN 0.246 nan 8.290 nan 0.000 0.551 1088 Q N 0.519 120.103 119.800 -0.359 0.000 2.046 1088 Q HA -0.011 4.329 4.340 -0.001 0.000 0.200 1088 Q C 3.042 178.988 176.000 -0.091 0.000 0.975 1088 Q CA 1.409 56.983 55.803 -0.383 0.000 0.836 1088 Q CB -0.880 27.252 28.738 -1.010 0.000 0.896 1088 Q HN 0.433 nan 8.270 nan 0.000 0.428 1089 A N 0.671 123.453 122.820 -0.063 0.000 1.892 1089 A HA -0.174 4.146 4.320 -0.001 0.000 0.218 1089 A C 2.484 180.131 177.584 0.104 0.000 1.188 1089 A CA 1.963 54.046 52.037 0.076 0.000 0.631 1089 A CB -0.899 18.174 19.000 0.122 0.000 0.822 1089 A HN 0.214 nan 8.150 nan 0.000 0.447 1090 V N -1.520 118.442 119.914 0.080 0.000 2.295 1090 V HA -0.292 3.827 4.120 -0.001 0.000 0.246 1090 V C 2.369 178.515 176.094 0.087 0.000 1.049 1090 V CA 2.166 64.512 62.300 0.076 0.000 1.024 1090 V CB -1.044 30.802 31.823 0.039 0.000 0.648 1090 V HN 0.724 nan 8.190 nan 0.000 0.447 1091 Y N 1.050 121.323 120.300 -0.046 0.000 2.181 1091 Y HA -0.213 4.337 4.550 -0.001 0.000 0.288 1091 Y C 2.627 178.525 175.900 -0.004 0.000 1.146 1091 Y CA 1.946 60.017 58.100 -0.049 0.000 1.164 1091 Y CB 0.009 38.371 38.460 -0.164 0.000 0.982 1091 Y HN 0.242 nan 8.280 nan 0.000 0.515 1092 E N 0.358 120.644 120.200 0.143 0.000 2.072 1092 E HA -0.164 4.185 4.350 -0.001 0.000 0.191 1092 E C 2.451 179.068 176.600 0.029 0.000 0.985 1092 E CA 1.037 57.495 56.400 0.096 0.000 0.801 1092 E CB -0.743 29.061 29.700 0.174 0.000 0.750 1092 E HN 0.578 nan 8.360 nan 0.000 0.452 1093 A N 1.008 123.861 122.820 0.055 0.000 1.908 1093 A HA -0.220 4.100 4.320 -0.001 0.000 0.218 1093 A C 2.633 180.227 177.584 0.016 0.000 1.181 1093 A CA 1.611 53.676 52.037 0.046 0.000 0.627 1093 A CB -0.994 18.042 19.000 0.059 0.000 0.818 1093 A HN 0.348 nan 8.150 nan 0.000 0.445 1094 C N -1.063 118.223 119.300 -0.023 0.000 2.429 1094 C HA -0.097 4.363 4.460 -0.001 0.000 0.277 1094 C C 2.884 177.833 174.990 -0.067 0.000 1.262 1094 C CA 1.093 60.090 59.018 -0.034 0.000 1.733 1094 C CB -1.087 26.611 27.740 -0.070 0.000 2.010 1094 C HN 0.604 nan 8.230 nan 0.000 0.483 1095 Q N 0.702 120.395 119.800 -0.178 0.000 2.045 1095 Q HA -0.157 4.182 4.340 -0.001 0.000 0.206 1095 Q C 2.252 178.236 176.000 -0.028 0.000 0.991 1095 Q CA 2.245 57.964 55.803 -0.139 0.000 0.851 1095 Q CB -1.402 27.232 28.738 -0.172 0.000 0.911 1095 Q HN 0.639 nan 8.270 nan 0.000 0.418 1096 T N 1.943 116.496 114.554 -0.002 0.000 2.720 1096 T HA -0.122 4.228 4.350 -0.001 0.000 0.268 1096 T C 1.866 176.595 174.700 0.049 0.000 1.037 1096 T CA 1.132 63.250 62.100 0.029 0.000 1.144 1096 T CB -0.154 68.738 68.868 0.039 0.000 0.864 1096 T HN 0.136 nan 8.240 nan 0.000 0.444 1097 I N 0.998 121.608 120.570 0.067 0.000 2.179 1097 I HA -0.107 4.062 4.170 -0.001 0.000 0.242 1097 I C 2.405 178.596 176.117 0.123 0.000 1.088 1097 I CA 1.347 62.712 61.300 0.109 0.000 1.357 1097 I CB -1.245 36.855 38.000 0.168 0.000 1.051 1097 I HN 0.282 nan 8.210 nan 0.000 0.409 1098 L N 0.441 121.732 121.223 0.113 0.000 2.042 1098 L HA -0.237 4.102 4.340 -0.001 0.000 0.210 1098 L C 2.613 179.517 176.870 0.057 0.000 1.076 1098 L CA 1.521 56.426 54.840 0.109 0.000 0.749 1098 L CB -0.600 41.507 42.059 0.079 0.000 0.893 1098 L HN 0.195 nan 8.230 nan 0.000 0.432 1099 K N -0.166 120.255 120.400 0.035 0.000 2.063 1099 K HA -0.191 4.128 4.320 -0.001 0.000 0.208 1099 K C 2.248 178.863 176.600 0.026 0.000 1.048 1099 K CA 1.499 57.796 56.287 0.017 0.000 0.928 1099 K CB -0.133 32.376 32.500 0.016 0.000 0.713 1099 K HN 0.275 nan 8.250 nan 0.000 0.442 1100 R N 0.463 120.998 120.500 0.057 0.000 2.092 1100 R HA -0.050 4.289 4.340 -0.001 0.000 0.231 1100 R C 2.183 178.586 176.300 0.172 0.000 1.119 1100 R CA 1.020 57.178 56.100 0.096 0.000 0.970 1100 R CB -0.237 30.118 30.300 0.091 0.000 0.864 1100 R HN 0.170 nan 8.270 nan 0.000 0.440 1101 L N 0.332 121.642 121.223 0.144 0.000 2.418 1101 L HA -0.034 4.306 4.340 -0.001 0.000 0.218 1101 L C 2.265 179.178 176.870 0.071 0.000 1.125 1101 L CA 0.398 55.355 54.840 0.194 0.000 0.835 1101 L CB -0.171 41.951 42.059 0.104 0.000 0.953 1101 L HN 0.112 nan 8.230 nan 0.000 0.454 1102 E N 1.360 121.536 120.200 -0.040 0.000 2.058 1102 E HA -0.192 4.157 4.350 -0.001 0.000 0.194 1102 E C -0.632 175.816 176.600 -0.253 0.000 0.997 1102 E CA 1.674 57.979 56.400 -0.158 0.000 0.801 1102 E CB -0.973 28.663 29.700 -0.107 0.000 0.746 1102 E HN 0.211 nan 8.360 nan 0.000 0.450 1103 P HA -0.124 nan 4.420 nan 0.000 0.219 1103 P C 0.619 177.555 177.300 -0.606 0.000 1.146 1103 P CA 1.239 64.044 63.100 -0.492 0.000 0.808 1103 P CB -0.115 31.185 31.700 -0.667 0.000 0.779 1104 F N -0.646 119.196 119.950 -0.180 0.000 2.335 1104 F HA 0.097 4.624 4.527 -0.001 0.000 0.296 1104 F C 2.379 177.954 175.800 -0.375 0.000 1.091 1104 F CA 0.777 58.676 58.000 -0.169 0.000 1.399 1104 F CB -0.487 38.471 39.000 -0.069 0.000 1.067 1104 F HN -0.219 nan 8.300 nan 0.000 0.520 1105 K N 0.970 121.010 120.400 -0.600 0.000 2.025 1105 K HA -0.177 4.143 4.320 -0.001 0.000 0.207 1105 K C 2.190 178.527 176.600 -0.439 0.000 1.049 1105 K CA 1.240 56.861 56.287 -1.109 0.000 0.933 1105 K CB -0.059 31.760 32.500 -1.135 0.000 0.714 1105 K HN 0.086 nan 8.250 nan 0.000 0.438 1106 K N 0.858 121.072 120.400 -0.310 0.000 1.991 1106 K HA -0.158 4.162 4.320 -0.001 0.000 0.212 1106 K C 1.969 178.501 176.600 -0.112 0.000 1.049 1106 K CA 1.677 57.855 56.287 -0.183 0.000 0.932 1106 K CB 0.026 32.418 32.500 -0.180 0.000 0.717 1106 K HN 0.058 nan 8.250 nan 0.000 0.441 1107 K N 0.020 120.351 120.400 -0.115 0.000 2.211 1107 K HA -0.164 4.156 4.320 -0.001 0.000 0.204 1107 K C 0.841 177.466 176.600 0.041 0.000 1.047 1107 K CA 1.039 57.305 56.287 -0.035 0.000 0.935 1107 K CB -0.108 32.380 32.500 -0.021 0.000 0.728 1107 K HN 0.078 nan 8.250 nan 0.000 0.452 1108 N N -0.539 118.207 118.700 0.078 0.000 2.664 1108 N HA 0.148 4.888 4.740 -0.001 0.000 0.287 1108 N C -2.505 173.201 175.510 0.326 0.000 1.869 1108 N CA -1.684 51.493 53.050 0.211 0.000 0.832 1108 N CB 0.947 39.612 38.487 0.297 0.000 1.293 1108 N HN -0.237 nan 8.380 nan 0.000 0.498 1109 P HA -0.066 nan 4.420 nan 0.000 0.218 1109 P C 0.200 177.697 177.300 0.328 0.000 1.146 1109 P CA 1.211 64.437 63.100 0.210 0.000 0.813 1109 P CB 0.347 32.110 31.700 0.105 0.000 0.778 1110 D N -1.678 118.881 120.400 0.264 0.000 2.339 1110 D HA 0.108 4.747 4.640 -0.001 0.000 0.217 1110 D C 1.351 177.753 176.300 0.169 0.000 1.050 1110 D CA 0.290 54.407 54.000 0.194 0.000 0.856 1110 D CB -0.341 40.531 40.800 0.120 0.000 0.922 1110 D HN 0.052 nan 8.370 nan 0.000 0.518 1111 G N 0.389 109.347 108.800 0.265 0.000 2.651 1111 G HA2 0.313 4.272 3.960 -0.001 0.000 0.260 1111 G HA3 0.313 4.272 3.960 -0.001 0.000 0.260 1111 G C 0.357 175.029 174.900 -0.380 0.000 1.216 1111 G CA -0.269 44.848 45.100 0.029 0.000 0.913 1111 G HN 0.171 nan 8.290 nan 0.000 0.535 1112 S N -0.545 114.868 115.700 -0.478 0.000 2.652 1112 S HA 0.118 4.587 4.470 -0.001 0.000 0.270 1112 S C 1.170 175.193 174.600 -0.962 0.000 1.243 1112 S CA -0.481 57.380 58.200 -0.566 0.000 0.999 1112 S CB 1.071 64.124 63.200 -0.245 0.000 0.973 1112 S HN 0.797 nan 8.310 nan 0.000 0.544 1113 W N 1.789 122.583 121.300 -0.843 0.000 2.302 1113 W HA -0.282 4.377 4.660 -0.001 0.000 0.320 1113 W C 1.288 177.645 176.519 -0.270 0.000 1.241 1113 W CA 2.448 59.499 57.345 -0.490 0.000 1.264 1113 W CB -0.545 28.802 29.460 -0.190 0.000 1.154 1113 W HN 0.873 nan 8.180 nan 0.000 0.483 1114 E N 0.756 120.858 120.200 -0.163 0.000 2.085 1114 E HA -0.242 4.108 4.350 -0.001 0.000 0.194 1114 E C 1.632 178.101 176.600 -0.218 0.000 0.994 1114 E CA 2.166 58.455 56.400 -0.186 0.000 0.801 1114 E CB -0.777 28.890 29.700 -0.055 0.000 0.743 1114 E HN 0.243 nan 8.360 nan 0.000 0.453 1115 D N -0.470 119.786 120.400 -0.240 0.000 2.104 1115 D HA -0.170 4.470 4.640 -0.001 0.000 0.194 1115 D C 1.642 177.919 176.300 -0.039 0.000 0.994 1115 D CA 0.900 54.816 54.000 -0.139 0.000 0.830 1115 D CB -0.311 40.417 40.800 -0.120 0.000 0.959 1115 D HN 0.317 nan 8.370 nan 0.000 0.452 1116 W N 1.041 122.265 121.300 -0.128 0.000 2.388 1116 W HA -0.020 4.640 4.660 -0.000 0.000 0.294 1116 W C 2.329 178.642 176.519 -0.343 0.000 1.212 1116 W CA 0.007 57.260 57.345 -0.154 0.000 1.271 1116 W CB -1.273 28.130 29.460 -0.095 0.000 1.126 1116 W HN -0.126 nan 8.180 nan 0.000 0.535 1117 V N 0.582 120.335 119.914 -0.268 0.000 2.307 1117 V HA -0.315 3.805 4.120 -0.001 0.000 0.245 1117 V C 2.293 178.252 176.094 -0.225 0.000 1.045 1117 V CA 2.068 64.146 62.300 -0.370 0.000 1.024 1117 V CB -0.898 30.604 31.823 -0.535 0.000 0.651 1117 V HN 0.014 nan 8.190 nan 0.000 0.449 1118 M N 0.860 120.364 119.600 -0.160 0.000 2.108 1118 M HA -0.098 4.381 4.480 -0.001 0.000 0.261 1118 M C 2.053 178.295 176.300 -0.096 0.000 1.066 1118 M CA 2.169 57.429 55.300 -0.066 0.000 1.107 1118 M CB -0.840 31.734 32.600 -0.043 0.000 1.356 1118 M HN 0.272 nan 8.290 nan 0.000 0.406 1119 A N -0.365 122.345 122.820 -0.183 0.000 1.877 1119 A HA 0.007 4.326 4.320 -0.001 0.000 0.216 1119 A C 2.388 179.532 177.584 -0.733 0.000 1.186 1119 A CA 2.245 54.097 52.037 -0.309 0.000 0.620 1119 A CB -1.504 17.414 19.000 -0.136 0.000 0.822 1119 A HN 0.634 nan 8.150 nan 0.000 0.443 1120 A N -1.379 120.808 122.820 -1.056 0.000 1.908 1120 A HA -0.140 4.179 4.320 -0.001 0.000 0.218 1120 A C 2.151 179.487 177.584 -0.413 0.000 1.181 1120 A CA 1.819 53.215 52.037 -1.068 0.000 0.627 1120 A CB -0.896 17.714 19.000 -0.650 0.000 0.818 1120 A HN 0.790 nan 8.150 nan 0.000 0.445 1121 Y N 0.572 120.677 120.300 -0.325 0.000 2.070 1121 Y HA -0.264 4.286 4.550 -0.001 0.000 0.280 1121 Y C 2.543 178.356 175.900 -0.144 0.000 1.148 1121 Y CA 2.368 60.357 58.100 -0.185 0.000 1.125 1121 Y CB -0.392 37.983 38.460 -0.140 0.000 0.975 1121 Y HN 0.339 nan 8.280 nan 0.000 0.492 1122 Q N -0.280 119.330 119.800 -0.316 0.000 2.181 1122 Q HA -0.226 4.113 4.340 -0.001 0.000 0.205 1122 Q C 1.399 177.247 176.000 -0.253 0.000 0.980 1122 Q CA 1.906 57.529 55.803 -0.299 0.000 0.862 1122 Q CB -0.523 28.150 28.738 -0.108 0.000 0.905 1122 Q HN 0.568 nan 8.270 nan 0.000 0.429 1123 D N -0.134 120.138 120.400 -0.214 0.000 2.328 1123 D HA 0.027 4.666 4.640 -0.001 0.000 0.226 1123 D C -0.410 175.836 176.300 -0.091 0.000 1.066 1123 D CA -0.067 53.886 54.000 -0.078 0.000 0.861 1123 D CB 0.102 40.979 40.800 0.129 0.000 0.912 1123 D HN 0.078 nan 8.370 nan 0.000 0.521 1124 R N -0.814 119.556 120.500 -0.218 0.000 3.267 1124 R HA -0.134 4.206 4.340 -0.001 0.000 0.254 1124 R C -0.939 175.322 176.300 -0.065 0.000 0.993 1124 R CA -0.007 55.989 56.100 -0.174 0.000 0.670 1124 R CB -2.259 27.961 30.300 -0.134 0.000 1.125 1124 R HN 0.026 nan 8.270 nan 0.000 0.434 1125 V N 0.959 120.839 119.914 -0.057 0.000 2.394 1125 V HA 0.204 4.323 4.120 -0.001 0.000 0.282 1125 V C 0.941 177.038 176.094 0.006 0.000 1.031 1125 V CA -0.295 62.013 62.300 0.013 0.000 0.881 1125 V CB 1.828 33.699 31.823 0.081 0.000 0.982 1125 V HN 0.412 nan 8.190 nan 0.000 0.451 1126 S N 4.879 120.593 115.700 0.023 0.000 2.549 1126 S HA 0.285 4.755 4.470 -0.001 0.000 0.283 1126 S C 0.321 174.940 174.600 0.031 0.000 1.320 1126 S CA -0.201 58.016 58.200 0.029 0.000 1.058 1126 S CB 0.173 63.391 63.200 0.030 0.000 0.882 1126 S HN 0.632 nan 8.310 nan 0.000 0.498 1127 L N 3.719 124.957 121.223 0.025 0.000 3.110 1127 L HA 0.326 4.666 4.340 -0.001 0.000 0.266 1127 L C 0.338 177.228 176.870 0.033 0.000 1.257 1127 L CA -0.175 54.674 54.840 0.014 0.000 1.038 1127 L CB 0.543 42.590 42.059 -0.020 0.000 1.395 1127 L HN 0.584 nan 8.230 nan 0.000 0.566 1128 S N -0.550 115.187 115.700 0.062 0.000 2.521 1128 S HA 0.712 5.182 4.470 -0.001 0.000 0.295 1128 S C -0.591 174.067 174.600 0.095 0.000 1.098 1128 S CA -0.224 58.057 58.200 0.135 0.000 0.999 1128 S CB 2.115 65.423 63.200 0.180 0.000 1.034 1128 S HN 0.119 nan 8.310 nan 0.000 0.483 1129 T N 1.776 116.380 114.554 0.083 0.000 2.821 1129 T HA 0.646 4.996 4.350 -0.001 0.000 0.306 1129 T C -0.256 174.475 174.700 0.052 0.000 1.313 1129 T CA -0.299 61.839 62.100 0.064 0.000 1.012 1129 T CB 1.371 70.274 68.868 0.058 0.000 1.298 1129 T HN 0.846 nan 8.240 nan 0.000 0.502 1130 T N 0.074 114.666 114.554 0.062 0.000 2.824 1130 T HA 0.778 5.127 4.350 -0.001 0.000 0.277 1130 T C 0.457 175.221 174.700 0.106 0.000 0.975 1130 T CA -0.266 61.882 62.100 0.081 0.000 0.966 1130 T CB 1.038 69.958 68.868 0.086 0.000 1.054 1130 T HN 0.997 nan 8.240 nan 0.000 0.533 1131 G N -0.410 108.485 108.800 0.158 0.000 2.706 1131 G HA2 0.612 4.572 3.960 -0.001 0.000 0.297 1131 G HA3 0.612 4.572 3.960 -0.001 0.000 0.297 1131 G C -2.138 172.950 174.900 0.313 0.000 1.403 1131 G CA -0.795 44.419 45.100 0.191 0.000 0.954 1131 G HN 0.737 nan 8.290 nan 0.000 0.500 1132 F N 0.772 120.791 119.950 0.114 0.000 2.678 1132 F HA 0.746 5.273 4.527 -0.001 0.000 0.308 1132 F C -1.981 173.930 175.800 0.185 0.000 1.118 1132 F CA -1.093 56.982 58.000 0.124 0.000 0.959 1132 F CB 2.271 41.318 39.000 0.078 0.000 1.305 1132 F HN 0.628 nan 8.300 nan 0.000 0.443 1133 Y N 4.031 123.951 120.300 -0.633 0.000 2.513 1133 Y HA 0.618 5.167 4.550 -0.001 0.000 0.340 1133 Y C -1.604 173.918 175.900 -0.630 0.000 1.055 1133 Y CA -0.981 56.867 58.100 -0.420 0.000 1.020 1133 Y CB 1.550 39.837 38.460 -0.289 0.000 1.301 1133 Y HN 0.722 nan 8.280 nan 0.000 0.453 1134 R N 3.762 123.694 120.500 -0.946 0.000 2.435 1134 R HA 0.450 4.790 4.340 -0.001 0.000 0.308 1134 R C -1.356 174.319 176.300 -1.041 0.000 0.975 1134 R CA -0.454 55.218 56.100 -0.712 0.000 0.867 1134 R CB 1.243 31.384 30.300 -0.265 0.000 1.171 1134 R HN 0.775 nan 8.270 nan 0.000 0.470 1135 T N 6.916 121.016 114.554 -0.757 0.000 2.867 1135 T HA 0.135 4.484 4.350 -0.001 0.000 0.297 1135 T C -2.177 172.293 174.700 -0.384 0.000 0.989 1135 T CA -0.551 61.199 62.100 -0.583 0.000 1.159 1135 T CB 0.619 69.275 68.868 -0.354 0.000 0.928 1135 T HN 0.475 nan 8.240 nan 0.000 0.538 1136 P HA 0.287 nan 4.420 nan 0.000 0.276 1136 P C -0.009 177.280 177.300 -0.018 0.000 1.244 1136 P CA -0.607 62.428 63.100 -0.109 0.000 0.801 1136 P CB 0.391 32.079 31.700 -0.020 0.000 1.006 1137 N N -0.640 118.056 118.700 -0.006 0.000 2.758 1137 N HA -0.146 4.593 4.740 -0.001 0.000 0.248 1137 N C -0.893 174.628 175.510 0.018 0.000 1.076 1137 N CA 0.781 53.844 53.050 0.022 0.000 0.696 1137 N CB -1.778 36.742 38.487 0.056 0.000 0.979 1137 N HN 0.417 nan 8.380 nan 0.000 0.550 1138 L N -0.454 120.761 121.223 -0.014 0.000 2.330 1138 L HA 0.800 5.139 4.340 -0.001 0.000 0.271 1138 L C 0.931 177.788 176.870 -0.022 0.000 1.013 1138 L CA -0.633 54.188 54.840 -0.032 0.000 0.816 1138 L CB 2.077 44.098 42.059 -0.064 0.000 1.287 1138 L HN 0.248 nan 8.230 nan 0.000 0.435 1139 G N 1.387 110.175 108.800 -0.020 0.000 2.246 1139 G HA2 -0.037 3.923 3.960 -0.001 0.000 0.196 1139 G HA3 -0.037 3.923 3.960 -0.001 0.000 0.196 1139 G C -1.625 173.292 174.900 0.028 0.000 2.264 1139 G CA -0.789 44.317 45.100 0.010 0.000 1.089 1139 G HN 0.401 nan 8.290 nan 0.000 0.599 1140 Y N 2.293 122.535 120.300 -0.096 0.000 2.299 1140 Y HA 0.719 5.269 4.550 -0.001 0.000 0.326 1140 Y C 0.412 176.303 175.900 -0.014 0.000 1.164 1140 Y CA -0.039 58.005 58.100 -0.094 0.000 1.234 1140 Y CB 1.888 40.227 38.460 -0.202 0.000 1.219 1140 Y HN 0.594 nan 8.280 nan 0.000 0.497 1141 S N 5.425 120.613 115.700 -0.854 0.000 2.478 1141 S HA 0.323 4.793 4.470 -0.001 0.000 0.312 1141 S C 0.254 174.313 174.600 -0.902 0.000 1.094 1141 S CA -0.670 57.199 58.200 -0.550 0.000 1.081 1141 S CB 0.164 63.209 63.200 -0.259 0.000 1.007 1141 S HN 0.719 nan 8.310 nan 0.000 0.475 1142 F N 2.534 122.311 119.950 -0.289 0.000 2.269 1142 F HA 0.004 4.530 4.527 -0.001 0.000 0.301 1142 F C 2.257 178.016 175.800 -0.069 0.000 1.082 1142 F CA 0.892 58.864 58.000 -0.047 0.000 1.360 1142 F CB 0.046 39.107 39.000 0.102 0.000 1.041 1142 F HN 0.549 nan 8.300 nan 0.000 0.512 1143 E N -0.447 119.788 120.200 0.059 0.000 2.051 1143 E HA -0.158 4.191 4.350 -0.001 0.000 0.192 1143 E C 2.300 178.892 176.600 -0.014 0.000 0.991 1143 E CA 2.002 58.423 56.400 0.034 0.000 0.799 1143 E CB -1.229 28.480 29.700 0.015 0.000 0.748 1143 E HN 0.418 nan 8.360 nan 0.000 0.449 1144 T N -2.774 111.725 114.554 -0.092 0.000 3.054 1144 T HA 0.094 4.443 4.350 -0.001 0.000 0.255 1144 T C 0.579 175.217 174.700 -0.104 0.000 1.035 1144 T CA 0.229 62.277 62.100 -0.087 0.000 0.941 1144 T CB -0.427 68.386 68.868 -0.091 0.000 1.026 1144 T HN 0.242 nan 8.240 nan 0.000 0.533 1145 N N 1.379 119.973 118.700 -0.177 0.000 2.705 1145 N HA -0.214 4.526 4.740 -0.001 0.000 0.255 1145 N C -0.558 174.935 175.510 -0.028 0.000 1.008 1145 N CA 0.457 53.465 53.050 -0.070 0.000 0.742 1145 N CB -0.956 37.583 38.487 0.086 0.000 0.906 1145 N HN 0.838 nan 8.380 nan 0.000 0.541 1146 S N -0.831 114.735 115.700 -0.224 0.000 2.596 1146 S HA 0.862 5.332 4.470 -0.001 0.000 0.270 1146 S C -0.008 174.535 174.600 -0.094 0.000 1.155 1146 S CA 0.003 58.166 58.200 -0.061 0.000 0.827 1146 S CB 2.142 65.307 63.200 -0.058 0.000 1.130 1146 S HN 1.057 nan 8.310 nan 0.000 0.467 1147 G N 1.247 110.071 108.800 0.040 0.000 2.663 1147 G HA2 -0.023 3.937 3.960 -0.001 0.000 0.686 1147 G HA3 -0.023 3.937 3.960 -0.001 0.000 0.686 1147 G C -1.436 173.547 174.900 0.138 0.000 1.246 1147 G CA -1.050 44.079 45.100 0.048 0.000 0.795 1147 G HN 0.887 nan 8.290 nan 0.000 0.627 1148 N N 0.804 119.539 118.700 0.058 0.000 2.405 1148 N HA 0.434 5.174 4.740 -0.001 0.000 0.260 1148 N C 1.384 176.806 175.510 -0.147 0.000 1.152 1148 N CA 0.561 53.615 53.050 0.007 0.000 0.948 1148 N CB 1.451 39.942 38.487 0.008 0.000 1.111 1148 N HN 1.005 nan 8.380 nan 0.000 0.485 1149 A N 3.088 125.667 122.820 -0.401 0.000 1.930 1149 A HA 0.039 4.359 4.320 -0.001 0.000 0.217 1149 A C 0.263 177.086 177.584 -1.269 0.000 1.175 1149 A CA 1.080 52.418 52.037 -1.165 0.000 0.627 1149 A CB -0.054 17.476 19.000 -2.450 0.000 0.815 1149 A HN 0.567 nan 8.150 nan 0.000 0.443 1150 F N -4.143 115.571 119.950 -0.392 0.000 2.593 1150 F HA 0.492 5.019 4.527 -0.001 0.000 0.320 1150 F C 0.995 176.615 175.800 -0.299 0.000 1.060 1150 F CA -0.659 57.056 58.000 -0.475 0.000 0.940 1150 F CB 1.250 39.726 39.000 -0.873 0.000 1.268 1150 F HN 0.129 nan 8.300 nan 0.000 0.475 1151 H N 0.445 119.401 119.070 -0.191 0.000 2.415 1151 H HA 0.125 4.680 4.556 -0.001 0.000 0.297 1151 H C -0.898 174.452 175.328 0.036 0.000 1.048 1151 H CA 1.330 57.340 56.048 -0.062 0.000 1.365 1151 H CB 0.277 30.040 29.762 0.000 0.000 1.421 1151 H HN 0.517 nan 8.280 nan 0.000 0.533 1152 Y N -3.935 116.217 120.300 -0.248 0.000 2.818 1152 Y HA 0.434 4.984 4.550 -0.001 0.000 0.341 1152 Y C -1.972 173.601 175.900 -0.545 0.000 1.283 1152 Y CA -2.085 55.850 58.100 -0.275 0.000 1.075 1152 Y CB 0.511 38.872 38.460 -0.165 0.000 1.370 1152 Y HN -0.188 nan 8.280 nan 0.000 0.448 1153 F N 0.324 120.259 119.950 -0.024 0.000 2.532 1153 F HA 0.700 5.227 4.527 -0.001 0.000 0.321 1153 F C -0.123 175.358 175.800 -0.532 0.000 1.089 1153 F CA -0.868 56.896 58.000 -0.394 0.000 0.926 1153 F CB 2.602 41.301 39.000 -0.501 0.000 1.168 1153 F HN 0.499 nan 8.300 nan 0.000 0.459 1154 T N 2.108 116.515 114.554 -0.246 0.000 2.875 1154 T HA 0.534 4.883 4.350 -0.001 0.000 0.284 1154 T C -1.065 173.483 174.700 -0.254 0.000 0.995 1154 T CA -0.390 61.609 62.100 -0.169 0.000 1.060 1154 T CB 0.530 69.422 68.868 0.040 0.000 0.967 1154 T HN 0.327 nan 8.240 nan 0.000 0.476 1155 Y N 0.069 120.460 120.300 0.151 0.000 2.598 1155 Y HA 0.762 5.312 4.550 -0.001 0.000 0.340 1155 Y C 0.707 176.654 175.900 0.079 0.000 1.038 1155 Y CA -0.950 57.201 58.100 0.084 0.000 1.100 1155 Y CB 2.541 40.978 38.460 -0.039 0.000 1.281 1155 Y HN 0.922 nan 8.280 nan 0.000 0.488 1156 G N -0.216 108.740 108.800 0.261 0.000 2.489 1156 G HA2 0.521 4.480 3.960 -0.001 0.000 0.291 1156 G HA3 0.521 4.480 3.960 -0.001 0.000 0.291 1156 G C -2.499 172.521 174.900 0.201 0.000 1.487 1156 G CA -0.684 44.532 45.100 0.194 0.000 0.795 1156 G HN 0.482 nan 8.290 nan 0.000 0.513 1157 V N -0.185 119.833 119.914 0.173 0.000 2.760 1157 V HA 0.870 4.989 4.120 -0.001 0.000 0.309 1157 V C 0.029 176.195 176.094 0.121 0.000 1.077 1157 V CA -0.245 62.167 62.300 0.186 0.000 0.910 1157 V CB 1.617 33.566 31.823 0.211 0.000 1.008 1157 V HN 1.748 nan 8.190 nan 0.000 0.424 1158 A N 2.706 125.601 122.820 0.125 0.000 2.393 1158 A HA 0.788 5.107 4.320 -0.001 0.000 0.306 1158 A C -0.860 176.758 177.584 0.055 0.000 1.050 1158 A CA -0.478 51.613 52.037 0.090 0.000 0.724 1158 A CB 1.683 20.793 19.000 0.182 0.000 1.248 1158 A HN 1.102 nan 8.150 nan 0.000 0.424 1159 C N 2.201 121.510 119.300 0.016 0.000 2.345 1159 C HA 0.850 5.310 4.460 -0.001 0.000 0.323 1159 C C -0.070 174.958 174.990 0.064 0.000 1.276 1159 C CA -0.109 58.921 59.018 0.020 0.000 1.543 1159 C CB 0.021 27.748 27.740 -0.021 0.000 2.211 1159 C HN 0.846 nan 8.230 nan 0.000 0.493 1160 S N 3.753 119.514 115.700 0.102 0.000 2.568 1160 S HA 0.608 5.078 4.470 -0.001 0.000 0.293 1160 S C -1.230 173.417 174.600 0.077 0.000 1.089 1160 S CA -0.534 57.726 58.200 0.100 0.000 0.945 1160 S CB 1.768 65.068 63.200 0.166 0.000 1.077 1160 S HN 0.881 nan 8.310 nan 0.000 0.485 1161 E N 1.402 121.630 120.200 0.048 0.000 2.222 1161 E HA 0.640 4.989 4.350 -0.001 0.000 0.267 1161 E C -1.235 175.379 176.600 0.023 0.000 0.884 1161 E CA -0.793 55.615 56.400 0.014 0.000 0.764 1161 E CB 1.546 31.229 29.700 -0.028 0.000 1.169 1161 E HN 0.539 nan 8.360 nan 0.000 0.413 1162 V N 0.433 120.357 119.914 0.015 0.000 3.074 1162 V HA 0.656 4.775 4.120 -0.001 0.000 0.314 1162 V C -0.796 175.292 176.094 -0.011 0.000 1.117 1162 V CA -0.837 61.498 62.300 0.057 0.000 1.014 1162 V CB 1.873 33.758 31.823 0.104 0.000 1.057 1162 V HN 0.792 nan 8.190 nan 0.000 0.438 1163 E N 2.051 122.264 120.200 0.022 0.000 2.199 1163 E HA 0.611 4.960 4.350 -0.001 0.000 0.265 1163 E C -0.845 175.822 176.600 0.111 0.000 0.882 1163 E CA -0.883 55.505 56.400 -0.021 0.000 0.759 1163 E CB 1.938 31.573 29.700 -0.108 0.000 1.148 1163 E HN 0.926 nan 8.360 nan 0.000 0.412 1164 I N 0.648 121.291 120.570 0.121 0.000 2.676 1164 I HA 0.522 4.692 4.170 -0.001 0.000 0.309 1164 I C -0.387 175.843 176.117 0.189 0.000 0.990 1164 I CA -0.774 60.627 61.300 0.167 0.000 1.168 1164 I CB 1.684 39.752 38.000 0.113 0.000 1.343 1164 I HN 0.390 nan 8.210 nan 0.000 0.482 1165 D N 4.410 124.928 120.400 0.197 0.000 2.396 1165 D HA 0.254 4.894 4.640 -0.001 0.000 0.225 1165 D C 0.453 176.872 176.300 0.198 0.000 1.121 1165 D CA -0.457 53.667 54.000 0.207 0.000 0.853 1165 D CB 1.390 42.307 40.800 0.196 0.000 1.043 1165 D HN 0.716 nan 8.370 nan 0.000 0.500 1166 C N 3.461 122.905 119.300 0.240 0.000 2.472 1166 C HA 0.053 4.512 4.460 -0.001 0.000 0.278 1166 C C 2.414 177.543 174.990 0.233 0.000 1.447 1166 C CA -0.041 59.125 59.018 0.246 0.000 1.773 1166 C CB -0.902 27.037 27.740 0.330 0.000 1.793 1166 C HN 0.654 nan 8.230 nan 0.000 0.544 1167 L N 0.527 121.861 121.223 0.185 0.000 2.463 1167 L HA 0.032 4.372 4.340 -0.001 0.000 0.219 1167 L C 2.468 179.332 176.870 -0.010 0.000 1.088 1167 L CA 1.488 56.351 54.840 0.039 0.000 0.849 1167 L CB -0.186 41.835 42.059 -0.064 0.000 1.012 1167 L HN 0.495 nan 8.230 nan 0.000 0.468 1168 T N -6.126 108.477 114.554 0.082 0.000 2.958 1168 T HA 0.272 4.622 4.350 -0.001 0.000 0.256 1168 T C 1.427 176.268 174.700 0.235 0.000 0.983 1168 T CA 0.581 62.746 62.100 0.108 0.000 0.924 1168 T CB 1.115 70.085 68.868 0.169 0.000 1.136 1168 T HN 0.256 nan 8.240 nan 0.000 0.506 1169 G N 1.563 110.477 108.800 0.189 0.000 2.199 1169 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.254 1169 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.254 1169 G C -0.113 174.879 174.900 0.152 0.000 0.982 1169 G CA 0.242 45.431 45.100 0.148 0.000 0.632 1169 G HN 0.832 nan 8.290 nan 0.000 0.529 1170 D N 1.062 121.561 120.400 0.166 0.000 2.363 1170 D HA 0.510 5.150 4.640 -0.001 0.000 0.240 1170 D C 0.631 177.058 176.300 0.213 0.000 1.236 1170 D CA 0.677 54.760 54.000 0.139 0.000 0.927 1170 D CB 0.270 41.110 40.800 0.066 0.000 1.150 1170 D HN 0.664 nan 8.370 nan 0.000 0.458 1171 H N -1.375 117.733 119.070 0.063 0.000 3.037 1171 H HA 0.384 4.939 4.556 -0.001 0.000 0.336 1171 H C -1.377 174.020 175.328 0.115 0.000 1.323 1171 H CA -0.948 55.148 56.048 0.081 0.000 1.159 1171 H CB 0.596 30.378 29.762 0.033 0.000 1.882 1171 H HN 0.304 nan 8.280 nan 0.000 0.535 1172 K N 1.813 122.242 120.400 0.047 0.000 2.221 1172 K HA 0.285 4.605 4.320 -0.001 0.000 0.258 1172 K C -0.621 176.042 176.600 0.105 0.000 0.944 1172 K CA -1.127 55.186 56.287 0.044 0.000 0.823 1172 K CB 1.420 34.021 32.500 0.167 0.000 1.113 1172 K HN 0.429 nan 8.250 nan 0.000 0.431 1173 N N 3.532 122.270 118.700 0.064 0.000 2.439 1173 N HA 0.110 4.849 4.740 -0.001 0.000 0.243 1173 N C 0.751 176.325 175.510 0.107 0.000 1.088 1173 N CA 0.038 53.153 53.050 0.107 0.000 0.940 1173 N CB 0.679 39.209 38.487 0.072 0.000 1.180 1173 N HN 0.453 nan 8.380 nan 0.000 0.505 1174 L N 1.058 122.335 121.223 0.091 0.000 2.102 1174 L HA 0.142 4.481 4.340 -0.001 0.000 0.202 1174 L C 1.019 177.926 176.870 0.062 0.000 1.076 1174 L CA 0.817 55.705 54.840 0.080 0.000 0.761 1174 L CB 0.139 42.171 42.059 -0.046 0.000 0.921 1174 L HN 0.354 nan 8.230 nan 0.000 0.444 1175 R N -0.976 119.544 120.500 0.033 0.000 2.536 1175 R HA 0.375 4.715 4.340 -0.001 0.000 0.269 1175 R C -1.639 174.674 176.300 0.021 0.000 1.113 1175 R CA -0.239 55.879 56.100 0.031 0.000 0.948 1175 R CB 2.072 32.382 30.300 0.017 0.000 1.237 1175 R HN -0.191 nan 8.270 nan 0.000 0.441 1176 T N 2.443 117.002 114.554 0.009 0.000 2.893 1176 T HA 0.416 4.766 4.350 -0.001 0.000 0.293 1176 T C -1.668 173.053 174.700 0.034 0.000 1.027 1176 T CA -0.623 61.464 62.100 -0.022 0.000 0.988 1176 T CB 1.705 70.452 68.868 -0.202 0.000 1.043 1176 T HN 0.509 nan 8.240 nan 0.000 0.461 1177 D N 1.538 121.941 120.400 0.004 0.000 2.787 1177 D HA 0.608 5.247 4.640 -0.001 0.000 0.246 1177 D C -0.779 175.509 176.300 -0.020 0.000 1.150 1177 D CA -0.312 53.694 54.000 0.009 0.000 0.864 1177 D CB 1.624 42.424 40.800 -0.000 0.000 1.481 1177 D HN 0.345 nan 8.370 nan 0.000 0.509 1178 I N 1.615 122.172 120.570 -0.021 0.000 2.498 1178 I HA 0.445 4.615 4.170 -0.001 0.000 0.290 1178 I C -0.888 175.232 176.117 0.006 0.000 1.032 1178 I CA -1.108 60.184 61.300 -0.013 0.000 1.073 1178 I CB 2.100 40.076 38.000 -0.039 0.000 1.251 1178 I HN 0.016 nan 8.210 nan 0.000 0.426 1179 V N 6.428 126.360 119.914 0.030 0.000 2.409 1179 V HA 0.484 4.603 4.120 -0.001 0.000 0.291 1179 V C -0.309 175.826 176.094 0.067 0.000 1.020 1179 V CA -0.470 61.854 62.300 0.040 0.000 0.848 1179 V CB 1.708 33.553 31.823 0.037 0.000 0.990 1179 V HN 0.642 nan 8.190 nan 0.000 0.430 1180 M N 4.005 123.644 119.600 0.064 0.000 2.393 1180 M HA 0.525 5.004 4.480 -0.001 0.000 0.316 1180 M C -0.953 175.399 176.300 0.087 0.000 1.087 1180 M CA -0.415 54.935 55.300 0.084 0.000 0.937 1180 M CB 1.787 34.427 32.600 0.067 0.000 1.668 1180 M HN 0.674 nan 8.290 nan 0.000 0.438 1181 D N 3.308 123.779 120.400 0.119 0.000 2.396 1181 D HA 0.344 4.984 4.640 -0.001 0.000 0.225 1181 D C -0.071 176.296 176.300 0.112 0.000 1.121 1181 D CA -0.318 53.756 54.000 0.124 0.000 0.853 1181 D CB 0.806 41.720 40.800 0.190 0.000 1.043 1181 D HN 0.420 nan 8.370 nan 0.000 0.500 1182 V N 2.093 122.053 119.914 0.076 0.000 3.006 1182 V HA 0.626 4.745 4.120 -0.001 0.000 0.357 1182 V C 1.072 177.189 176.094 0.038 0.000 1.377 1182 V CA 0.343 62.679 62.300 0.059 0.000 1.198 1182 V CB -0.358 31.486 31.823 0.037 0.000 1.216 1182 V HN 0.691 nan 8.190 nan 0.000 0.520 1183 G N 1.491 110.313 108.800 0.038 0.000 2.564 1183 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.273 1183 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.273 1183 G C 0.019 174.928 174.900 0.014 0.000 1.242 1183 G CA -0.004 45.101 45.100 0.007 0.000 0.951 1183 G HN 1.087 nan 8.290 nan 0.000 0.564 1184 S N 0.384 116.087 115.700 0.004 0.000 2.405 1184 S HA 0.506 4.976 4.470 -0.001 0.000 0.291 1184 S C 0.626 175.236 174.600 0.018 0.000 1.137 1184 S CA 0.613 58.823 58.200 0.018 0.000 1.061 1184 S CB 1.188 64.398 63.200 0.017 0.000 1.001 1184 S HN 1.295 nan 8.310 nan 0.000 0.507 1185 S N 3.187 118.900 115.700 0.021 0.000 2.558 1185 S HA 0.141 4.611 4.470 -0.001 0.000 0.288 1185 S C 1.239 175.839 174.600 -0.001 0.000 1.318 1185 S CA -0.558 57.644 58.200 0.004 0.000 1.056 1185 S CB 0.107 63.299 63.200 -0.014 0.000 0.853 1185 S HN 0.671 nan 8.310 nan 0.000 0.505 1186 L N 3.067 124.288 121.223 -0.003 0.000 2.240 1186 L HA 0.140 4.479 4.340 -0.001 0.000 0.211 1186 L C 0.964 177.817 176.870 -0.028 0.000 1.106 1186 L CA 0.503 55.343 54.840 0.001 0.000 0.793 1186 L CB -0.170 41.902 42.059 0.022 0.000 0.927 1186 L HN 0.657 nan 8.230 nan 0.000 0.446 1187 N N -0.995 117.672 118.700 -0.055 0.000 2.747 1187 N HA 0.116 4.856 4.740 -0.001 0.000 0.262 1187 N C -2.399 173.008 175.510 -0.171 0.000 1.261 1187 N CA -1.133 51.860 53.050 -0.095 0.000 0.809 1187 N CB 1.504 39.944 38.487 -0.078 0.000 1.450 1187 N HN -0.286 nan 8.380 nan 0.000 0.560 1188 P HA 0.004 nan 4.420 nan 0.000 0.223 1188 P C 1.057 178.052 177.300 -0.508 0.000 1.151 1188 P CA 0.744 63.599 63.100 -0.409 0.000 0.787 1188 P CB 0.380 31.668 31.700 -0.687 0.000 0.788 1189 A N 0.262 122.758 122.820 -0.541 0.000 1.855 1189 A HA -0.139 4.181 4.320 -0.001 0.000 0.215 1189 A C 2.296 179.631 177.584 -0.415 0.000 1.191 1189 A CA 1.308 52.952 52.037 -0.655 0.000 0.613 1189 A CB -1.534 16.763 19.000 -1.172 0.000 0.829 1189 A HN 0.087 nan 8.150 nan 0.000 0.442 1190 I N -0.105 120.303 120.570 -0.270 0.000 2.226 1190 I HA -0.231 3.939 4.170 -0.001 0.000 0.245 1190 I C 1.677 177.731 176.117 -0.106 0.000 1.100 1190 I CA 1.492 62.714 61.300 -0.130 0.000 1.374 1190 I CB -0.397 37.560 38.000 -0.071 0.000 1.057 1190 I HN 0.252 nan 8.210 nan 0.000 0.413 1191 D N 0.693 121.017 120.400 -0.127 0.000 2.183 1191 D HA -0.061 4.579 4.640 -0.001 0.000 0.203 1191 D C 2.228 178.477 176.300 -0.085 0.000 0.969 1191 D CA 1.120 55.069 54.000 -0.085 0.000 0.842 1191 D CB -0.017 40.739 40.800 -0.073 0.000 0.957 1191 D HN 0.329 nan 8.370 nan 0.000 0.484 1192 I N 0.658 121.145 120.570 -0.139 0.000 2.353 1192 I HA -0.098 4.072 4.170 -0.001 0.000 0.248 1192 I C 2.438 178.493 176.117 -0.102 0.000 1.119 1192 I CA 0.954 62.177 61.300 -0.129 0.000 1.417 1192 I CB -0.233 37.659 38.000 -0.180 0.000 1.078 1192 I HN 0.004 nan 8.210 nan 0.000 0.421 1193 G N 0.054 108.796 108.800 -0.097 0.000 2.422 1193 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.218 1193 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.218 1193 G C 1.569 176.469 174.900 0.000 0.000 1.146 1193 G CA 0.357 45.431 45.100 -0.042 0.000 0.769 1193 G HN 0.264 nan 8.290 nan 0.000 0.547 1194 Q N 0.233 120.034 119.800 0.001 0.000 2.020 1194 Q HA -0.067 4.272 4.340 -0.001 0.000 0.202 1194 Q C 3.020 179.050 176.000 0.050 0.000 0.982 1194 Q CA 1.170 56.992 55.803 0.031 0.000 0.838 1194 Q CB -0.926 27.820 28.738 0.013 0.000 0.899 1194 Q HN 0.387 nan 8.270 nan 0.000 0.423 1195 V N 1.532 121.464 119.914 0.029 0.000 2.282 1195 V HA -0.272 3.848 4.120 -0.001 0.000 0.249 1195 V C 2.155 178.328 176.094 0.131 0.000 1.057 1195 V CA 2.136 64.475 62.300 0.064 0.000 1.032 1195 V CB -0.531 31.303 31.823 0.019 0.000 0.645 1195 V HN 0.404 nan 8.190 nan 0.000 0.447 1196 E N -0.026 120.217 120.200 0.072 0.000 2.107 1196 E HA -0.092 4.257 4.350 -0.001 0.000 0.191 1196 E C 2.312 179.076 176.600 0.273 0.000 0.982 1196 E CA 1.056 57.556 56.400 0.167 0.000 0.809 1196 E CB -0.425 29.240 29.700 -0.058 0.000 0.756 1196 E HN 0.652 nan 8.360 nan 0.000 0.459 1197 G N 1.080 109.968 108.800 0.147 0.000 2.394 1197 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.215 1197 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.215 1197 G C 1.671 176.644 174.900 0.121 0.000 1.165 1197 G CA 0.702 45.868 45.100 0.111 0.000 0.784 1197 G HN 0.323 nan 8.290 nan 0.000 0.535 1198 A N 0.638 123.543 122.820 0.140 0.000 1.877 1198 A HA 0.052 4.372 4.320 -0.001 0.000 0.216 1198 A C 2.176 179.843 177.584 0.139 0.000 1.186 1198 A CA 1.583 53.690 52.037 0.117 0.000 0.620 1198 A CB -0.638 18.419 19.000 0.096 0.000 0.822 1198 A HN 0.437 nan 8.150 nan 0.000 0.443 1199 F N 0.655 120.659 119.950 0.091 0.000 2.126 1199 F HA -0.163 4.364 4.527 -0.001 0.000 0.299 1199 F C 2.112 177.959 175.800 0.078 0.000 1.096 1199 F CA 2.045 60.110 58.000 0.109 0.000 1.255 1199 F CB -0.153 38.961 39.000 0.188 0.000 0.997 1199 F HN 0.026 nan 8.300 nan 0.000 0.479 1200 V N 0.166 120.203 119.914 0.207 0.000 2.453 1200 V HA -0.270 3.850 4.120 -0.001 0.000 0.247 1200 V C 2.331 178.369 176.094 -0.093 0.000 1.048 1200 V CA 2.029 64.363 62.300 0.057 0.000 1.049 1200 V CB -0.667 31.269 31.823 0.189 0.000 0.672 1200 V HN 0.403 nan 8.190 nan 0.000 0.457 1201 Q N -0.117 119.633 119.800 -0.083 0.000 2.124 1201 Q HA -0.147 4.193 4.340 -0.001 0.000 0.202 1201 Q C 2.298 178.157 176.000 -0.235 0.000 0.977 1201 Q CA 1.656 57.374 55.803 -0.140 0.000 0.850 1201 Q CB -0.406 28.273 28.738 -0.099 0.000 0.901 1201 Q HN 0.715 nan 8.270 nan 0.000 0.429 1202 G N 0.960 109.615 108.800 -0.242 0.000 2.402 1202 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.216 1202 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.216 1202 G C 1.351 176.082 174.900 -0.282 0.000 1.162 1202 G CA 0.521 45.436 45.100 -0.308 0.000 0.777 1202 G HN 0.366 nan 8.290 nan 0.000 0.539 1203 L N 0.749 121.769 121.223 -0.338 0.000 2.013 1203 L HA -0.022 4.318 4.340 -0.001 0.000 0.212 1203 L C 2.876 179.639 176.870 -0.178 0.000 1.073 1203 L CA 2.010 56.694 54.840 -0.259 0.000 0.753 1203 L CB -0.691 41.159 42.059 -0.348 0.000 0.890 1203 L HN 0.270 nan 8.230 nan 0.000 0.432 1204 G N 0.222 108.895 108.800 -0.212 0.000 2.514 1204 G HA2 -0.375 3.585 3.960 -0.001 0.000 0.217 1204 G HA3 -0.375 3.585 3.960 -0.001 0.000 0.217 1204 G C 1.487 176.211 174.900 -0.293 0.000 1.198 1204 G CA 1.072 46.038 45.100 -0.223 0.000 0.780 1204 G HN 0.405 nan 8.290 nan 0.000 0.565 1205 L N -0.111 120.845 121.223 -0.446 0.000 2.021 1205 L HA -0.056 4.284 4.340 -0.001 0.000 0.215 1205 L C 2.505 179.012 176.870 -0.605 0.000 1.074 1205 L CA 1.873 56.322 54.840 -0.652 0.000 0.760 1205 L CB -0.689 40.735 42.059 -1.059 0.000 0.889 1205 L HN 0.289 nan 8.230 nan 0.000 0.433 1206 F N -1.572 118.201 119.950 -0.296 0.000 2.664 1206 F HA 0.029 4.556 4.527 -0.001 0.000 0.296 1206 F C 1.928 177.679 175.800 -0.082 0.000 1.125 1206 F CA 0.750 58.577 58.000 -0.289 0.000 1.444 1206 F CB -0.169 38.640 39.000 -0.319 0.000 1.114 1206 F HN 0.316 nan 8.300 nan 0.000 0.576 1207 T N -4.978 109.599 114.554 0.038 0.000 3.028 1207 T HA 0.195 4.545 4.350 -0.001 0.000 0.262 1207 T C 1.043 175.734 174.700 -0.015 0.000 0.916 1207 T CA 0.092 62.206 62.100 0.023 0.000 0.873 1207 T CB 0.171 69.064 68.868 0.042 0.000 1.232 1207 T HN 0.004 nan 8.240 nan 0.000 0.529 1208 L N 0.683 121.855 121.223 -0.084 0.000 2.663 1208 L HA 0.560 4.899 4.340 -0.001 0.000 0.218 1208 L C 0.291 177.032 176.870 -0.216 0.000 1.043 1208 L CA 0.593 55.357 54.840 -0.127 0.000 0.876 1208 L CB -0.032 41.936 42.059 -0.153 0.000 1.263 1208 L HN 0.280 nan 8.230 nan 0.000 0.486 1209 E N 1.312 121.346 120.200 -0.278 0.000 2.223 1209 E HA 0.251 4.601 4.350 -0.001 0.000 0.282 1209 E C -0.436 176.056 176.600 -0.179 0.000 1.046 1209 E CA 0.117 56.274 56.400 -0.405 0.000 0.857 1209 E CB 0.858 30.339 29.700 -0.365 0.000 1.055 1209 E HN 0.082 nan 8.360 nan 0.000 0.409 1210 E N 3.950 124.077 120.200 -0.121 0.000 2.274 1210 E HA 0.253 4.603 4.350 -0.001 0.000 0.269 1210 E C -1.375 175.209 176.600 -0.027 0.000 0.891 1210 E CA -0.506 55.851 56.400 -0.071 0.000 0.784 1210 E CB 1.003 30.599 29.700 -0.172 0.000 1.225 1210 E HN 0.372 nan 8.360 nan 0.000 0.412 1211 L N 3.861 125.073 121.223 -0.018 0.000 2.334 1211 L HA 0.493 4.833 4.340 -0.001 0.000 0.277 1211 L C -0.431 176.270 176.870 -0.283 0.000 1.075 1211 L CA -0.545 54.229 54.840 -0.110 0.000 0.804 1211 L CB 1.032 43.063 42.059 -0.046 0.000 1.174 1211 L HN 0.591 nan 8.230 nan 0.000 0.438 1212 H N 1.302 120.320 119.070 -0.088 0.000 2.637 1212 H HA 0.564 5.120 4.556 -0.001 0.000 0.363 1212 H C -1.479 173.713 175.328 -0.226 0.000 1.131 1212 H CA -0.460 55.608 56.048 0.033 0.000 1.183 1212 H CB 1.831 31.696 29.762 0.171 0.000 1.637 1212 H HN 0.329 nan 8.280 nan 0.000 0.531 1213 Y N 0.320 120.743 120.300 0.205 0.000 2.477 1213 Y HA 0.282 4.832 4.550 -0.000 0.000 0.347 1213 Y C 0.254 176.120 175.900 -0.057 0.000 0.981 1213 Y CA -1.066 57.007 58.100 -0.046 0.000 1.033 1213 Y CB 1.924 40.381 38.460 -0.004 0.000 1.245 1213 Y HN 0.684 nan 8.280 nan 0.000 0.455 1214 S N 1.658 117.251 115.700 -0.179 0.000 2.589 1214 S HA 0.169 4.639 4.470 -0.001 0.000 0.265 1214 S C -2.048 172.603 174.600 0.085 0.000 1.342 1214 S CA -0.869 57.353 58.200 0.037 0.000 1.005 1214 S CB 0.971 64.149 63.200 -0.036 0.000 0.909 1214 S HN 0.490 nan 8.310 nan 0.000 0.555 1215 P HA 0.011 nan 4.420 nan 0.000 0.222 1215 P C 0.541 177.859 177.300 0.031 0.000 1.147 1215 P CA 0.916 64.048 63.100 0.054 0.000 0.790 1215 P CB -0.060 31.667 31.700 0.045 0.000 0.780 1216 E N -1.263 118.954 120.200 0.028 0.000 2.511 1216 E HA 0.219 4.568 4.350 -0.001 0.000 0.196 1216 E C 1.324 177.933 176.600 0.014 0.000 1.066 1216 E CA 0.698 57.107 56.400 0.015 0.000 0.871 1216 E CB -0.805 28.901 29.700 0.009 0.000 0.863 1216 E HN 0.170 nan 8.360 nan 0.000 0.520 1217 G N 0.454 109.271 108.800 0.029 0.000 2.131 1217 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.201 1217 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.201 1217 G C 0.164 175.133 174.900 0.115 0.000 1.000 1217 G CA 0.225 45.352 45.100 0.045 0.000 0.680 1217 G HN 0.249 nan 8.290 nan 0.000 0.514 1218 S N -0.086 115.652 115.700 0.063 0.000 2.422 1218 S HA 0.614 5.083 4.470 -0.001 0.000 0.298 1218 S C 0.431 174.989 174.600 -0.071 0.000 1.118 1218 S CA -0.636 57.572 58.200 0.013 0.000 1.083 1218 S CB 0.807 63.977 63.200 -0.050 0.000 0.971 1218 S HN 1.243 nan 8.310 nan 0.000 0.478 1219 L N 7.127 128.337 121.223 -0.022 0.000 2.534 1219 L HA 0.215 4.554 4.340 -0.001 0.000 0.271 1219 L C 1.186 177.911 176.870 -0.240 0.000 1.178 1219 L CA 0.770 55.428 54.840 -0.304 0.000 0.907 1219 L CB 0.200 42.115 42.059 -0.240 0.000 1.164 1219 L HN 0.799 nan 8.230 nan 0.000 0.482 1220 H N 1.924 120.916 119.070 -0.130 0.000 2.415 1220 H HA 0.056 4.612 4.556 -0.001 0.000 0.297 1220 H C 0.295 175.614 175.328 -0.016 0.000 1.048 1220 H CA 1.103 57.136 56.048 -0.025 0.000 1.365 1220 H CB -0.189 29.587 29.762 0.022 0.000 1.421 1220 H HN 0.674 nan 8.280 nan 0.000 0.533 1221 T N 0.458 115.058 114.554 0.077 0.000 2.747 1221 T HA 0.418 4.768 4.350 -0.001 0.000 0.301 1221 T C 0.777 175.491 174.700 0.022 0.000 0.952 1221 T CA -0.648 61.505 62.100 0.088 0.000 0.983 1221 T CB 0.864 69.816 68.868 0.139 0.000 0.930 1221 T HN 0.221 nan 8.240 nan 0.000 0.494 1222 R N 1.918 122.452 120.500 0.058 0.000 2.629 1222 R HA 0.442 4.781 4.340 -0.001 0.000 0.408 1222 R C 0.609 176.961 176.300 0.087 0.000 1.057 1222 R CA -0.550 55.583 56.100 0.055 0.000 1.119 1222 R CB 1.266 31.606 30.300 0.067 0.000 1.403 1222 R HN 0.831 nan 8.270 nan 0.000 0.576 1223 G N 0.522 109.405 108.800 0.139 0.000 2.495 1223 G HA2 0.180 4.139 3.960 -0.001 0.000 0.294 1223 G HA3 0.180 4.139 3.960 -0.001 0.000 0.294 1223 G C -2.676 172.398 174.900 0.291 0.000 1.397 1223 G CA -0.694 44.527 45.100 0.202 0.000 0.790 1223 G HN -0.298 nan 8.290 nan 0.000 0.486 1224 P HA -0.004 nan 4.420 nan 0.000 0.237 1224 P C 1.743 179.088 177.300 0.074 0.000 1.178 1224 P CA 1.410 64.616 63.100 0.178 0.000 0.766 1224 P CB 0.259 32.069 31.700 0.185 0.000 0.876 1225 S N -0.067 115.669 115.700 0.060 0.000 2.399 1225 S HA -0.107 4.363 4.470 -0.001 0.000 0.231 1225 S C 1.765 176.380 174.600 0.025 0.000 1.022 1225 S CA 1.955 60.164 58.200 0.015 0.000 0.983 1225 S CB -1.733 61.454 63.200 -0.021 0.000 0.803 1225 S HN 0.339 nan 8.310 nan 0.000 0.480 1226 T N -3.712 110.884 114.554 0.070 0.000 2.975 1226 T HA 0.283 4.633 4.350 -0.001 0.000 0.257 1226 T C -0.154 174.636 174.700 0.150 0.000 1.003 1226 T CA -0.408 61.749 62.100 0.094 0.000 0.932 1226 T CB -0.274 68.655 68.868 0.102 0.000 1.087 1226 T HN 0.395 nan 8.240 nan 0.000 0.512 1227 Y N 2.692 122.998 120.300 0.010 0.000 2.338 1227 Y HA 0.554 5.104 4.550 -0.001 0.000 0.328 1227 Y C -1.177 174.665 175.900 -0.097 0.000 0.965 1227 Y CA -1.496 56.596 58.100 -0.015 0.000 1.208 1227 Y CB 1.096 39.580 38.460 0.041 0.000 1.132 1227 Y HN -0.195 nan 8.280 nan 0.000 0.469 1228 K N 8.906 128.947 120.400 -0.599 0.000 2.299 1228 K HA 0.303 4.622 4.320 -0.001 0.000 0.268 1228 K C -0.154 176.123 176.600 -0.537 0.000 1.075 1228 K CA -0.350 55.678 56.287 -0.431 0.000 0.936 1228 K CB 0.515 32.862 32.500 -0.255 0.000 1.228 1228 K HN 0.847 nan 8.250 nan 0.000 0.454 1229 I N -0.820 119.459 120.570 -0.486 0.000 2.834 1229 I HA 0.424 4.593 4.170 -0.001 0.000 0.305 1229 I C -2.153 173.852 176.117 -0.188 0.000 1.008 1229 I CA -2.617 58.470 61.300 -0.356 0.000 1.273 1229 I CB 0.417 38.215 38.000 -0.338 0.000 1.432 1229 I HN 0.136 nan 8.210 nan 0.000 0.557 1230 P HA 0.070 nan 4.420 nan 0.000 0.264 1230 P C -0.746 176.611 177.300 0.095 0.000 1.183 1230 P CA 0.210 63.313 63.100 0.004 0.000 0.763 1230 P CB 0.571 32.316 31.700 0.075 0.000 0.807 1231 A N 2.727 125.515 122.820 -0.053 0.000 2.256 1231 A HA 0.418 4.738 4.320 -0.001 0.000 0.318 1231 A C 0.883 178.011 177.584 -0.759 0.000 1.103 1231 A CA -0.448 51.462 52.037 -0.211 0.000 0.860 1231 A CB -0.184 18.776 19.000 -0.067 0.000 1.182 1231 A HN 0.458 nan 8.150 nan 0.000 0.501 1232 F N 0.788 120.045 119.950 -1.156 0.000 2.085 1232 F HA -0.211 4.315 4.527 -0.000 0.000 0.299 1232 F C 2.488 178.087 175.800 -0.334 0.000 1.096 1232 F CA 2.668 60.120 58.000 -0.913 0.000 1.227 1232 F CB -0.334 38.481 39.000 -0.308 0.000 0.983 1232 F HN 0.633 nan 8.300 nan 0.000 0.482 1233 G N -2.159 106.650 108.800 0.015 0.000 2.848 1233 G HA2 -0.043 3.917 3.960 -0.001 0.000 0.208 1233 G HA3 -0.043 3.917 3.960 -0.001 0.000 0.208 1233 G C 1.471 176.371 174.900 -0.000 0.000 1.152 1233 G CA 0.655 45.792 45.100 0.061 0.000 0.789 1233 G HN 0.319 nan 8.290 nan 0.000 0.531 1234 S N 0.013 115.675 115.700 -0.063 0.000 2.501 1234 S HA 0.169 4.639 4.470 -0.001 0.000 0.220 1234 S C 1.219 175.807 174.600 -0.019 0.000 0.997 1234 S CA -0.351 57.812 58.200 -0.060 0.000 0.919 1234 S CB -0.086 63.077 63.200 -0.062 0.000 0.778 1234 S HN 0.604 nan 8.310 nan 0.000 0.523 1235 I N 0.419 120.997 120.570 0.014 0.000 2.823 1235 I HA 0.368 4.537 4.170 -0.001 0.000 0.290 1235 I C -2.910 173.183 176.117 -0.040 0.000 1.091 1235 I CA -2.583 58.720 61.300 0.006 0.000 1.365 1235 I CB -0.088 37.982 38.000 0.116 0.000 1.427 1235 I HN -0.196 nan 8.210 nan 0.000 0.583 1236 P HA 0.059 nan 4.420 nan 0.000 0.264 1236 P C 0.315 177.630 177.300 0.025 0.000 1.193 1236 P CA 0.071 63.105 63.100 -0.111 0.000 0.763 1236 P CB 0.612 32.141 31.700 -0.285 0.000 0.810 1237 T N 0.927 115.548 114.554 0.112 0.000 2.821 1237 T HA -0.145 4.205 4.350 -0.001 0.000 0.267 1237 T C 0.608 175.421 174.700 0.189 0.000 1.046 1237 T CA 1.269 63.471 62.100 0.170 0.000 1.139 1237 T CB -0.182 68.832 68.868 0.243 0.000 0.871 1237 T HN 0.491 nan 8.240 nan 0.000 0.454 1238 E N 0.260 120.557 120.200 0.162 0.000 2.113 1238 E HA 0.426 4.776 4.350 -0.001 0.000 0.273 1238 E C -1.673 175.061 176.600 0.222 0.000 0.924 1238 E CA -0.537 55.964 56.400 0.168 0.000 0.764 1238 E CB 0.604 30.372 29.700 0.113 0.000 1.104 1238 E HN 0.333 nan 8.360 nan 0.000 0.406 1239 F N 5.739 125.714 119.950 0.042 0.000 2.610 1239 F HA 0.456 4.983 4.527 -0.001 0.000 0.355 1239 F C -0.771 175.024 175.800 -0.009 0.000 1.140 1239 F CA -0.945 57.058 58.000 0.005 0.000 1.037 1239 F CB 0.762 39.783 39.000 0.036 0.000 1.287 1239 F HN 0.354 nan 8.300 nan 0.000 0.457 1240 R N 5.164 125.785 120.500 0.202 0.000 2.494 1240 R HA 0.692 5.031 4.340 -0.001 0.000 0.305 1240 R C -1.521 174.752 176.300 -0.044 0.000 0.959 1240 R CA -1.020 55.095 56.100 0.025 0.000 0.864 1240 R CB 2.860 33.186 30.300 0.042 0.000 1.159 1240 R HN 0.312 nan 8.270 nan 0.000 0.446 1241 V N 1.755 121.608 119.914 -0.101 0.000 2.638 1241 V HA 0.400 4.520 4.120 -0.001 0.000 0.306 1241 V C -0.505 175.573 176.094 -0.028 0.000 1.052 1241 V CA -0.677 61.566 62.300 -0.094 0.000 0.885 1241 V CB 2.192 33.908 31.823 -0.179 0.000 0.999 1241 V HN 0.795 nan 8.190 nan 0.000 0.424 1242 S N 4.961 120.660 115.700 -0.002 0.000 2.526 1242 S HA 0.749 5.218 4.470 -0.001 0.000 0.293 1242 S C -0.752 173.872 174.600 0.041 0.000 1.092 1242 S CA -0.667 57.551 58.200 0.030 0.000 0.980 1242 S CB 1.721 64.934 63.200 0.022 0.000 1.048 1242 S HN 0.534 nan 8.310 nan 0.000 0.483 1243 L N 2.687 123.953 121.223 0.072 0.000 2.272 1243 L HA 0.455 4.794 4.340 -0.001 0.000 0.289 1243 L C -0.290 176.620 176.870 0.066 0.000 1.032 1243 L CA -0.979 53.903 54.840 0.070 0.000 0.810 1243 L CB 0.776 42.886 42.059 0.083 0.000 1.205 1243 L HN 0.492 nan 8.230 nan 0.000 0.422 1244 L N 4.525 125.783 121.223 0.058 0.000 2.601 1244 L HA -0.002 4.337 4.340 -0.001 0.000 0.277 1244 L C 0.530 177.427 176.870 0.045 0.000 1.219 1244 L CA 0.788 55.657 54.840 0.049 0.000 0.915 1244 L CB 0.004 42.096 42.059 0.055 0.000 1.160 1244 L HN 0.507 nan 8.230 nan 0.000 0.494 1245 R N 4.360 124.879 120.500 0.032 0.000 2.539 1245 R HA 0.168 4.507 4.340 -0.001 0.000 0.275 1245 R C -0.193 176.120 176.300 0.021 0.000 1.077 1245 R CA -0.302 55.812 56.100 0.024 0.000 1.097 1245 R CB 0.321 30.625 30.300 0.008 0.000 1.018 1245 R HN 0.746 nan 8.270 nan 0.000 0.483 1246 D N 0.697 121.108 120.400 0.019 0.000 2.697 1246 D HA -0.138 4.501 4.640 -0.001 0.000 0.238 1246 D C -0.326 175.985 176.300 0.018 0.000 1.152 1246 D CA 0.955 54.964 54.000 0.015 0.000 0.666 1246 D CB -1.348 39.458 40.800 0.011 0.000 1.037 1246 D HN 0.722 nan 8.370 nan 0.000 0.423 1247 C N -1.799 117.513 119.300 0.021 0.000 3.206 1247 C HA 0.364 4.823 4.460 -0.001 0.000 0.206 1247 C C -2.110 172.887 174.990 0.012 0.000 1.836 1247 C CA -1.791 57.242 59.018 0.024 0.000 1.382 1247 C CB 0.090 27.853 27.740 0.039 0.000 2.405 1247 C HN 0.119 nan 8.230 nan 0.000 0.516 1248 P HA 0.037 nan 4.420 nan 0.000 0.265 1248 P C -0.484 176.792 177.300 -0.040 0.000 1.187 1248 P CA 0.932 64.023 63.100 -0.015 0.000 0.766 1248 P CB 0.665 32.361 31.700 -0.008 0.000 0.820 1249 N N 2.410 121.059 118.700 -0.084 0.000 2.501 1249 N HA 0.067 4.807 4.740 -0.001 0.000 0.245 1249 N C 1.079 176.490 175.510 -0.165 0.000 0.974 1249 N CA -0.645 52.307 53.050 -0.163 0.000 0.941 1249 N CB 0.711 39.019 38.487 -0.299 0.000 1.122 1249 N HN 0.292 nan 8.380 nan 0.000 0.507 1250 K N 2.566 122.891 120.400 -0.125 0.000 2.439 1250 K HA 0.033 4.352 4.320 -0.001 0.000 0.197 1250 K C 0.315 176.849 176.600 -0.110 0.000 1.041 1250 K CA 0.640 56.870 56.287 -0.095 0.000 0.970 1250 K CB 0.173 32.640 32.500 -0.055 0.000 0.773 1250 K HN 0.254 nan 8.250 nan 0.000 0.479 1251 K N 0.673 120.958 120.400 -0.191 0.000 2.487 1251 K HA 0.164 4.484 4.320 -0.001 0.000 0.192 1251 K C 0.318 176.931 176.600 0.022 0.000 1.027 1251 K CA 0.356 56.565 56.287 -0.130 0.000 1.054 1251 K CB 0.705 32.965 32.500 -0.399 0.000 0.824 1251 K HN 0.343 nan 8.250 nan 0.000 0.510 1252 A N 0.643 123.386 122.820 -0.130 0.000 2.593 1252 A HA 0.419 4.738 4.320 -0.001 0.000 0.290 1252 A C -1.004 176.467 177.584 -0.189 0.000 1.126 1252 A CA -0.909 51.062 52.037 -0.111 0.000 0.695 1252 A CB 0.767 19.730 19.000 -0.062 0.000 1.290 1252 A HN 0.090 nan 8.150 nan 0.000 0.414 1253 I N 0.951 121.366 120.570 -0.258 0.000 2.906 1253 I HA 0.086 4.256 4.170 -0.001 0.000 0.301 1253 I C 0.253 176.240 176.117 -0.218 0.000 1.221 1253 I CA 1.228 62.292 61.300 -0.393 0.000 1.435 1253 I CB -1.258 36.498 38.000 -0.407 0.000 1.345 1253 I HN 0.631 nan 8.210 nan 0.000 0.558 1254 Y N 5.983 126.182 120.300 -0.169 0.000 3.396 1254 Y HA -0.275 4.274 4.550 -0.001 0.000 0.214 1254 Y C 1.441 177.287 175.900 -0.091 0.000 1.203 1254 Y CA 0.521 58.554 58.100 -0.110 0.000 1.401 1254 Y CB -1.747 36.667 38.460 -0.076 0.000 1.409 1254 Y HN 1.031 nan 8.280 nan 0.000 0.594 1255 A N -1.475 121.346 122.820 0.000 0.000 2.979 1255 A HA -0.274 4.046 4.320 -0.001 0.000 0.260 1255 A C 1.020 178.574 177.584 -0.050 0.000 1.282 1255 A CA 1.079 53.095 52.037 -0.035 0.000 0.971 1255 A CB -2.002 16.998 19.000 0.001 0.000 1.124 1255 A HN 1.244 nan 8.150 nan 0.000 0.826 1256 S N -0.924 114.751 115.700 -0.042 0.000 2.661 1256 S HA 0.750 5.219 4.470 -0.001 0.000 0.265 1256 S C -0.041 174.511 174.600 -0.080 0.000 1.225 1256 S CA -0.111 58.068 58.200 -0.035 0.000 0.986 1256 S CB 1.288 64.488 63.200 0.001 0.000 1.008 1256 S HN 0.548 nan 8.310 nan 0.000 0.565 1257 K N -0.295 120.097 120.400 -0.013 0.000 2.426 1257 K HA 0.629 4.949 4.320 -0.001 0.000 0.251 1257 K C -0.678 176.006 176.600 0.139 0.000 0.941 1257 K CA -0.867 55.465 56.287 0.075 0.000 0.808 1257 K CB 2.150 34.711 32.500 0.101 0.000 1.265 1257 K HN 0.840 nan 8.250 nan 0.000 0.432 1258 A N 1.208 124.172 122.820 0.241 0.000 2.565 1258 A HA 0.070 4.390 4.320 -0.001 0.000 0.237 1258 A C 0.624 178.238 177.584 0.050 0.000 1.053 1258 A CA 0.159 52.255 52.037 0.097 0.000 0.755 1258 A CB 0.307 19.323 19.000 0.027 0.000 0.980 1258 A HN 0.547 nan 8.150 nan 0.000 0.506 1259 V N 2.803 122.721 119.914 0.005 0.000 3.426 1259 V HA 0.225 4.345 4.120 -0.001 0.000 0.279 1259 V C 1.757 177.824 176.094 -0.044 0.000 1.544 1259 V CA 1.433 63.727 62.300 -0.010 0.000 1.017 1259 V CB -0.266 31.558 31.823 0.001 0.000 0.821 1259 V HN 1.135 nan 8.190 nan 0.000 0.432 1260 G N 0.586 109.355 108.800 -0.051 0.000 2.553 1260 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.218 1260 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.218 1260 G C 1.199 176.048 174.900 -0.085 0.000 1.195 1260 G CA 1.634 46.708 45.100 -0.044 0.000 0.779 1260 G HN 0.614 nan 8.290 nan 0.000 0.577 1261 E N 0.277 120.339 120.200 -0.230 0.000 2.251 1261 E HA 0.032 4.382 4.350 -0.001 0.000 0.194 1261 E C -0.302 175.900 176.600 -0.663 0.000 0.964 1261 E CA -0.100 56.042 56.400 -0.430 0.000 0.868 1261 E CB 0.068 29.389 29.700 -0.632 0.000 0.828 1261 E HN 0.299 nan 8.360 nan 0.000 0.481 1262 P HA -0.142 nan 4.420 nan 0.000 0.217 1262 P C -1.677 175.551 177.300 -0.120 0.000 1.151 1262 P CA 1.721 64.543 63.100 -0.464 0.000 0.849 1262 P CB -0.876 30.750 31.700 -0.124 0.000 0.787 1263 P HA -0.011 nan 4.420 nan 0.000 0.236 1263 P C 1.591 178.980 177.300 0.147 0.000 1.177 1263 P CA 0.492 63.656 63.100 0.107 0.000 0.773 1263 P CB -0.429 31.346 31.700 0.125 0.000 0.878 1264 L N -1.210 120.051 121.223 0.063 0.000 2.012 1264 L HA -0.184 4.156 4.340 -0.001 0.000 0.210 1264 L C 2.203 179.170 176.870 0.162 0.000 1.073 1264 L CA 1.661 56.547 54.840 0.076 0.000 0.748 1264 L CB -0.762 41.306 42.059 0.016 0.000 0.891 1264 L HN -0.112 nan 8.230 nan 0.000 0.431 1265 F N 0.261 120.280 119.950 0.114 0.000 2.236 1265 F HA -0.254 4.273 4.527 -0.001 0.000 0.302 1265 F C 1.986 177.916 175.800 0.216 0.000 1.073 1265 F CA 1.486 59.618 58.000 0.220 0.000 1.336 1265 F CB -0.308 38.810 39.000 0.197 0.000 1.040 1265 F HN 0.032 nan 8.300 nan 0.000 0.507 1266 L N -0.287 121.010 121.223 0.124 0.000 2.261 1266 L HA -0.198 4.142 4.340 -0.001 0.000 0.216 1266 L C 2.680 179.592 176.870 0.070 0.000 1.114 1266 L CA 1.073 56.000 54.840 0.145 0.000 0.777 1266 L CB -1.569 40.708 42.059 0.363 0.000 0.910 1266 L HN 0.335 nan 8.230 nan 0.000 0.440 1267 G N -0.254 108.426 108.800 -0.200 0.000 2.479 1267 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.220 1267 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.220 1267 G C 1.718 176.446 174.900 -0.285 0.000 1.115 1267 G CA 0.764 45.501 45.100 -0.605 0.000 0.757 1267 G HN 0.496 nan 8.290 nan 0.000 0.560 1268 A N 1.306 123.819 122.820 -0.510 0.000 2.067 1268 A HA 0.023 4.342 4.320 -0.001 0.000 0.219 1268 A C 2.683 180.171 177.584 -0.160 0.000 1.158 1268 A CA 2.068 53.619 52.037 -0.811 0.000 0.661 1268 A CB -0.600 17.505 19.000 -1.492 0.000 0.801 1268 A HN 0.746 nan 8.150 nan 0.000 0.452 1269 S N -0.160 115.517 115.700 -0.037 0.000 2.402 1269 S HA -0.153 4.317 4.470 -0.001 0.000 0.233 1269 S C 1.680 176.366 174.600 0.143 0.000 1.030 1269 S CA 1.560 59.847 58.200 0.145 0.000 1.003 1269 S CB -0.907 62.398 63.200 0.175 0.000 0.813 1269 S HN 0.276 nan 8.310 nan 0.000 0.477 1270 V N 0.840 120.800 119.914 0.077 0.000 2.427 1270 V HA -0.047 4.073 4.120 -0.001 0.000 0.248 1270 V C 2.073 178.153 176.094 -0.024 0.000 1.051 1270 V CA 1.920 64.249 62.300 0.050 0.000 1.048 1270 V CB -1.025 30.820 31.823 0.035 0.000 0.666 1270 V HN 0.607 nan 8.190 nan 0.000 0.456 1271 F N 0.303 120.105 119.950 -0.246 0.000 2.146 1271 F HA -0.145 4.381 4.527 -0.001 0.000 0.298 1271 F C 1.955 177.497 175.800 -0.430 0.000 1.096 1271 F CA 1.690 59.449 58.000 -0.402 0.000 1.275 1271 F CB -0.209 38.404 39.000 -0.645 0.000 1.008 1271 F HN 0.136 nan 8.300 nan 0.000 0.480 1272 F N -0.101 119.933 119.950 0.141 0.000 2.512 1272 F HA 0.103 4.630 4.527 -0.001 0.000 0.296 1272 F C 2.409 178.201 175.800 -0.014 0.000 1.110 1272 F CA 0.538 58.576 58.000 0.065 0.000 1.446 1272 F CB -0.783 38.276 39.000 0.097 0.000 1.092 1272 F HN 0.057 nan 8.300 nan 0.000 0.554 1273 A N 0.710 123.605 122.820 0.125 0.000 1.898 1273 A HA -0.135 4.184 4.320 -0.001 0.000 0.216 1273 A C 2.169 179.736 177.584 -0.027 0.000 1.181 1273 A CA 1.423 53.495 52.037 0.059 0.000 0.620 1273 A CB -0.960 18.072 19.000 0.054 0.000 0.819 1273 A HN 0.360 nan 8.150 nan 0.000 0.442 1274 I N -0.478 120.003 120.570 -0.147 0.000 2.163 1274 I HA -0.295 3.875 4.170 -0.001 0.000 0.243 1274 I C 2.577 178.590 176.117 -0.172 0.000 1.085 1274 I CA 1.937 63.100 61.300 -0.229 0.000 1.347 1274 I CB -0.216 37.521 38.000 -0.438 0.000 1.044 1274 I HN 0.368 nan 8.210 nan 0.000 0.408 1275 K N 0.712 120.976 120.400 -0.227 0.000 2.057 1275 K HA -0.267 4.053 4.320 -0.001 0.000 0.207 1275 K C 1.803 178.472 176.600 0.114 0.000 1.049 1275 K CA 2.070 58.318 56.287 -0.065 0.000 0.931 1275 K CB -0.139 32.285 32.500 -0.126 0.000 0.714 1275 K HN 0.160 nan 8.250 nan 0.000 0.440 1276 D N 0.021 120.476 120.400 0.091 0.000 2.106 1276 D HA -0.185 4.454 4.640 -0.001 0.000 0.191 1276 D C 1.657 178.007 176.300 0.083 0.000 0.997 1276 D CA 1.801 55.862 54.000 0.102 0.000 0.834 1276 D CB -0.105 40.748 40.800 0.088 0.000 0.956 1276 D HN 0.347 nan 8.370 nan 0.000 0.448 1277 A N -0.097 122.752 122.820 0.048 0.000 1.902 1277 A HA -0.111 4.209 4.320 -0.001 0.000 0.217 1277 A C 2.457 180.069 177.584 0.047 0.000 1.181 1277 A CA 1.189 53.252 52.037 0.044 0.000 0.623 1277 A CB -0.775 18.240 19.000 0.025 0.000 0.818 1277 A HN 0.366 nan 8.150 nan 0.000 0.443 1278 I N -0.878 119.721 120.570 0.049 0.000 2.286 1278 I HA -0.277 3.893 4.170 -0.001 0.000 0.248 1278 I C 2.762 178.861 176.117 -0.029 0.000 1.115 1278 I CA 1.240 62.548 61.300 0.013 0.000 1.392 1278 I CB -0.307 37.730 38.000 0.063 0.000 1.065 1278 I HN 0.295 nan 8.210 nan 0.000 0.418 1279 R N 0.607 121.175 120.500 0.114 0.000 2.081 1279 R HA -0.157 4.183 4.340 -0.001 0.000 0.235 1279 R C 2.479 178.797 176.300 0.030 0.000 1.131 1279 R CA 1.526 57.695 56.100 0.115 0.000 0.960 1279 R CB -0.469 29.964 30.300 0.221 0.000 0.856 1279 R HN 0.379 nan 8.270 nan 0.000 0.436 1280 A N 1.256 124.097 122.820 0.035 0.000 1.883 1280 A HA -0.161 4.159 4.320 -0.001 0.000 0.217 1280 A C 2.387 179.952 177.584 -0.031 0.000 1.186 1280 A CA 1.806 53.847 52.037 0.008 0.000 0.624 1280 A CB -0.708 18.312 19.000 0.032 0.000 0.822 1280 A HN 0.416 nan 8.150 nan 0.000 0.444 1281 A N -0.241 122.568 122.820 -0.019 0.000 1.883 1281 A HA -0.212 4.107 4.320 -0.001 0.000 0.217 1281 A C 2.254 179.808 177.584 -0.049 0.000 1.186 1281 A CA 1.740 53.766 52.037 -0.020 0.000 0.624 1281 A CB -0.494 18.525 19.000 0.032 0.000 0.822 1281 A HN 0.566 nan 8.150 nan 0.000 0.444 1282 R N -0.769 119.679 120.500 -0.087 0.000 2.115 1282 R HA -0.012 4.328 4.340 -0.001 0.000 0.230 1282 R C 2.364 178.617 176.300 -0.078 0.000 1.111 1282 R CA 1.059 57.096 56.100 -0.105 0.000 0.976 1282 R CB -0.368 29.800 30.300 -0.221 0.000 0.870 1282 R HN 0.520 nan 8.270 nan 0.000 0.445 1283 A N 0.543 123.320 122.820 -0.072 0.000 2.014 1283 A HA -0.178 4.141 4.320 -0.001 0.000 0.218 1283 A C 2.041 179.546 177.584 -0.132 0.000 1.163 1283 A CA 0.984 52.979 52.037 -0.069 0.000 0.652 1283 A CB -0.216 18.760 19.000 -0.040 0.000 0.808 1283 A HN 0.207 nan 8.150 nan 0.000 0.449 1284 Q N -0.405 119.268 119.800 -0.212 0.000 2.020 1284 Q HA -0.180 4.159 4.340 -0.001 0.000 0.202 1284 Q C 1.251 176.919 176.000 -0.554 0.000 0.982 1284 Q CA 2.305 57.845 55.803 -0.439 0.000 0.838 1284 Q CB -0.272 28.099 28.738 -0.611 0.000 0.899 1284 Q HN 0.825 nan 8.270 nan 0.000 0.423 1285 H N -2.022 116.981 119.070 -0.111 0.000 2.755 1285 H HA 0.283 4.838 4.556 -0.001 0.000 0.273 1285 H C 0.314 175.607 175.328 -0.057 0.000 1.055 1285 H CA 0.619 56.614 56.048 -0.087 0.000 1.191 1285 H CB 0.959 30.677 29.762 -0.073 0.000 1.536 1285 H HN 0.282 nan 8.280 nan 0.000 0.529 1286 T N -2.369 112.200 114.554 0.025 0.000 2.977 1286 T HA 0.033 4.383 4.350 -0.001 0.000 0.152 1286 T C 1.417 176.111 174.700 -0.010 0.000 0.867 1286 T CA -0.282 61.822 62.100 0.007 0.000 0.917 1286 T CB -0.051 68.816 68.868 -0.001 0.000 2.051 1286 T HN 0.123 nan 8.240 nan 0.000 0.350 1287 N N 2.110 120.802 118.700 -0.012 0.000 2.094 1287 N HA -0.139 4.601 4.740 -0.001 0.000 0.191 1287 N C 0.115 175.623 175.510 -0.003 0.000 1.023 1287 N CA 1.057 54.106 53.050 -0.002 0.000 0.857 1287 N CB -0.332 38.161 38.487 0.010 0.000 1.013 1287 N HN 0.447 nan 8.380 nan 0.000 0.426 1288 N N 0.340 119.032 118.700 -0.014 0.000 2.681 1288 N HA -0.229 4.510 4.740 -0.001 0.000 0.250 1288 N C 0.267 175.779 175.510 0.003 0.000 1.133 1288 N CA 0.390 53.432 53.050 -0.013 0.000 0.732 1288 N CB -0.983 37.494 38.487 -0.018 0.000 1.107 1288 N HN 0.526 nan 8.380 nan 0.000 0.559 1289 N N 0.377 119.086 118.700 0.015 0.000 2.319 1289 N HA -0.052 4.687 4.740 -0.001 0.000 0.189 1289 N C 0.808 176.342 175.510 0.039 0.000 1.042 1289 N CA 2.479 55.546 53.050 0.028 0.000 0.879 1289 N CB 0.236 38.745 38.487 0.036 0.000 1.052 1289 N HN 0.284 nan 8.380 nan 0.000 0.446 1290 T N -1.137 113.448 114.554 0.051 0.000 6.066 1290 T HA -0.074 4.276 4.350 -0.001 0.000 0.276 1290 T C 0.615 175.363 174.700 0.080 0.000 2.189 1290 T CA 0.825 62.961 62.100 0.060 0.000 3.734 1290 T CB -0.971 67.925 68.868 0.047 0.000 0.731 1290 T HN 0.340 nan 8.240 nan 0.000 0.693 1291 K N 1.052 121.502 120.400 0.083 0.000 2.387 1291 K HA 0.213 4.533 4.320 -0.001 0.000 0.203 1291 K C 0.406 177.073 176.600 0.113 0.000 1.030 1291 K CA -0.224 56.120 56.287 0.097 0.000 1.099 1291 K CB 0.844 33.397 32.500 0.089 0.000 0.863 1291 K HN 0.488 nan 8.250 nan 0.000 0.529 1292 E N 2.150 122.422 120.200 0.119 0.000 2.465 1292 E HA -0.017 4.333 4.350 -0.001 0.000 0.260 1292 E C -0.878 175.838 176.600 0.195 0.000 0.980 1292 E CA 0.172 56.659 56.400 0.146 0.000 0.927 1292 E CB 0.470 30.255 29.700 0.141 0.000 0.934 1292 E HN 0.144 nan 8.360 nan 0.000 0.459 1293 L N 6.789 128.117 121.223 0.175 0.000 2.265 1293 L HA 0.363 4.703 4.340 -0.001 0.000 0.289 1293 L C -0.141 176.852 176.870 0.205 0.000 1.033 1293 L CA -0.906 54.026 54.840 0.153 0.000 0.814 1293 L CB 0.202 42.332 42.059 0.119 0.000 1.203 1293 L HN 0.434 nan 8.230 nan 0.000 0.423 1294 F N 1.146 121.154 119.950 0.097 0.000 2.480 1294 F HA 0.652 5.178 4.527 -0.001 0.000 0.329 1294 F C -0.024 175.848 175.800 0.120 0.000 1.091 1294 F CA -1.210 56.846 58.000 0.093 0.000 0.972 1294 F CB 1.005 40.048 39.000 0.072 0.000 1.150 1294 F HN 0.337 nan 8.300 nan 0.000 0.467 1295 R N 3.428 124.002 120.500 0.125 0.000 2.298 1295 R HA 0.542 4.882 4.340 -0.001 0.000 0.310 1295 R C -1.742 174.626 176.300 0.113 0.000 1.068 1295 R CA -0.675 55.475 56.100 0.083 0.000 0.957 1295 R CB 0.889 31.285 30.300 0.160 0.000 1.003 1295 R HN 0.871 nan 8.270 nan 0.000 0.454 1296 L N 5.066 126.329 121.223 0.067 0.000 2.372 1296 L HA 0.373 4.712 4.340 -0.001 0.000 0.273 1296 L C -1.241 175.872 176.870 0.405 0.000 0.989 1296 L CA -0.454 54.509 54.840 0.204 0.000 0.841 1296 L CB 1.489 43.595 42.059 0.079 0.000 1.225 1296 L HN 0.640 nan 8.230 nan 0.000 0.414 1297 D N 1.532 122.159 120.400 0.378 0.000 2.383 1297 D HA 0.338 4.978 4.640 -0.001 0.000 0.248 1297 D C -0.394 176.162 176.300 0.428 0.000 1.170 1297 D CA 0.014 54.269 54.000 0.426 0.000 0.977 1297 D CB 1.718 42.742 40.800 0.373 0.000 1.120 1297 D HN 0.446 nan 8.370 nan 0.000 0.481 1298 S N 0.209 116.041 115.700 0.220 0.000 2.501 1298 S HA 0.570 5.040 4.470 -0.001 0.000 0.301 1298 S C -2.750 171.863 174.600 0.022 0.000 1.096 1298 S CA -1.517 56.681 58.200 -0.003 0.000 1.063 1298 S CB 1.434 64.228 63.200 -0.678 0.000 1.042 1298 S HN 0.123 nan 8.310 nan 0.000 0.494 1299 P HA 0.262 nan 4.420 nan 0.000 0.279 1299 P C -1.118 176.258 177.300 0.127 0.000 1.239 1299 P CA -0.471 62.650 63.100 0.035 0.000 0.789 1299 P CB 0.800 32.477 31.700 -0.038 0.000 0.933 1300 A N 2.903 125.834 122.820 0.186 0.000 2.915 1300 A HA 0.393 4.713 4.320 -0.001 0.000 0.292 1300 A C 0.937 178.493 177.584 -0.046 0.000 1.632 1300 A CA -0.139 51.922 52.037 0.039 0.000 1.337 1300 A CB -1.267 17.618 19.000 -0.191 0.000 1.111 1300 A HN 0.601 nan 8.150 nan 0.000 0.569 1301 T N -0.344 114.183 114.554 -0.044 0.000 2.810 1301 T HA 0.426 4.775 4.350 -0.001 0.000 0.277 1301 T C -1.862 172.763 174.700 -0.125 0.000 0.973 1301 T CA -1.574 60.487 62.100 -0.065 0.000 0.949 1301 T CB 0.486 69.315 68.868 -0.065 0.000 1.075 1301 T HN 0.146 nan 8.240 nan 0.000 0.537 1302 P HA -0.077 nan 4.420 nan 0.000 0.216 1302 P C 1.537 178.461 177.300 -0.627 0.000 1.150 1302 P CA 0.963 63.973 63.100 -0.151 0.000 0.837 1302 P CB 0.052 31.789 31.700 0.061 0.000 0.786 1303 E N 0.371 119.983 120.200 -0.980 0.000 2.049 1303 E HA -0.251 4.098 4.350 -0.001 0.000 0.198 1303 E C 1.771 178.012 176.600 -0.599 0.000 1.007 1303 E CA 1.532 57.106 56.400 -1.376 0.000 0.809 1303 E CB -0.153 29.140 29.700 -0.678 0.000 0.749 1303 E HN 0.174 nan 8.360 nan 0.000 0.450 1304 K N -0.002 120.221 120.400 -0.294 0.000 2.103 1304 K HA -0.066 4.254 4.320 -0.001 0.000 0.204 1304 K C 2.284 178.828 176.600 -0.093 0.000 1.052 1304 K CA 0.970 57.187 56.287 -0.117 0.000 0.945 1304 K CB -0.055 32.434 32.500 -0.019 0.000 0.722 1304 K HN 0.251 nan 8.250 nan 0.000 0.443 1305 I N 0.660 121.153 120.570 -0.128 0.000 2.179 1305 I HA -0.277 3.893 4.170 -0.001 0.000 0.242 1305 I C 2.593 178.685 176.117 -0.041 0.000 1.088 1305 I CA 1.052 62.306 61.300 -0.078 0.000 1.357 1305 I CB -0.194 37.761 38.000 -0.076 0.000 1.051 1305 I HN 0.068 nan 8.210 nan 0.000 0.409 1306 R N 1.684 122.151 120.500 -0.055 0.000 2.073 1306 R HA -0.138 4.202 4.340 -0.001 0.000 0.234 1306 R C 1.943 178.273 176.300 0.050 0.000 1.134 1306 R CA 1.741 57.875 56.100 0.057 0.000 0.952 1306 R CB -0.627 29.813 30.300 0.234 0.000 0.850 1306 R HN 0.276 nan 8.270 nan 0.000 0.433 1307 N N 0.349 119.048 118.700 -0.001 0.000 2.149 1307 N HA -0.114 4.625 4.740 -0.001 0.000 0.188 1307 N C 1.366 176.881 175.510 0.009 0.000 1.019 1307 N CA 1.648 54.712 53.050 0.022 0.000 0.857 1307 N CB -0.440 38.048 38.487 0.002 0.000 0.997 1307 N HN 0.385 nan 8.380 nan 0.000 0.426 1308 A N -0.303 122.509 122.820 -0.013 0.000 2.066 1308 A HA -0.022 4.297 4.320 -0.001 0.000 0.218 1308 A C 1.164 178.668 177.584 -0.134 0.000 1.157 1308 A CA 0.415 52.407 52.037 -0.076 0.000 0.670 1308 A CB -0.342 18.627 19.000 -0.052 0.000 0.804 1308 A HN 0.357 nan 8.150 nan 0.000 0.453 1309 C N 1.816 121.091 119.300 -0.041 0.000 2.861 1309 C HA 0.391 4.850 4.460 -0.001 0.000 0.542 1309 C C 0.686 175.702 174.990 0.043 0.000 1.074 1309 C CA -1.097 57.923 59.018 0.004 0.000 1.232 1309 C CB -2.267 25.521 27.740 0.080 0.000 1.433 1309 C HN 0.317 nan 8.230 nan 0.000 0.606 1310 V N 4.294 124.205 119.914 -0.005 0.000 2.617 1310 V HA 0.178 4.298 4.120 -0.001 0.000 0.304 1310 V C 0.340 176.462 176.094 0.047 0.000 1.040 1310 V CA 1.108 63.416 62.300 0.012 0.000 1.149 1310 V CB 0.132 31.943 31.823 -0.020 0.000 0.914 1310 V HN 0.889 nan 8.190 nan 0.000 0.487 1311 D N 3.027 123.444 120.400 0.028 0.000 2.970 1311 D HA 0.184 4.824 4.640 -0.001 0.000 0.344 1311 D C 0.590 176.808 176.300 -0.136 0.000 1.365 1311 D CA -0.413 53.574 54.000 -0.021 0.000 0.910 1311 D CB 0.621 41.419 40.800 -0.005 0.000 1.445 1311 D HN 0.338 nan 8.370 nan 0.000 0.532 1312 K N -0.318 119.880 120.400 -0.337 0.000 2.362 1312 K HA 0.000 4.320 4.320 -0.001 0.000 0.200 1312 K C 1.037 177.303 176.600 -0.558 0.000 1.046 1312 K CA 0.924 56.927 56.287 -0.474 0.000 0.952 1312 K CB -0.443 31.703 32.500 -0.589 0.000 0.753 1312 K HN 0.323 nan 8.250 nan 0.000 0.466 1313 F N 2.513 122.362 119.950 -0.168 0.000 2.188 1313 F HA -0.080 4.446 4.527 -0.000 0.000 0.289 1313 F C 2.999 178.735 175.800 -0.106 0.000 1.082 1313 F CA 1.306 59.207 58.000 -0.165 0.000 1.282 1313 F CB -0.869 38.001 39.000 -0.218 0.000 1.060 1313 F HN 0.126 nan 8.300 nan 0.000 0.493 1314 T N -2.935 111.678 114.554 0.098 0.000 2.746 1314 T HA -0.191 4.159 4.350 -0.001 0.000 0.267 1314 T C 1.878 176.582 174.700 0.007 0.000 1.039 1314 T CA 1.945 64.075 62.100 0.050 0.000 1.142 1314 T CB -1.200 67.699 68.868 0.051 0.000 0.866 1314 T HN 0.155 nan 8.240 nan 0.000 0.444 1315 T N 1.381 115.921 114.554 -0.023 0.000 3.025 1315 T HA 0.116 4.466 4.350 -0.001 0.000 0.270 1315 T C 1.230 175.901 174.700 -0.049 0.000 1.126 1315 T CA 0.607 62.682 62.100 -0.040 0.000 1.105 1315 T CB -0.323 68.508 68.868 -0.060 0.000 0.884 1315 T HN 0.188 nan 8.240 nan 0.000 0.522 1316 L N -0.189 121.002 121.223 -0.053 0.000 2.590 1316 L HA 0.226 4.566 4.340 -0.001 0.000 0.227 1316 L C 1.571 178.423 176.870 -0.030 0.000 1.099 1316 L CA 0.526 55.336 54.840 -0.049 0.000 0.872 1316 L CB 0.075 42.092 42.059 -0.071 0.000 1.088 1316 L HN 0.320 nan 8.230 nan 0.000 0.479 1317 C N -1.283 118.007 119.300 -0.018 0.000 2.688 1317 C HA 0.439 4.899 4.460 -0.001 0.000 0.297 1317 C C 1.280 176.263 174.990 -0.012 0.000 1.308 1317 C CA -1.179 57.827 59.018 -0.020 0.000 1.726 1317 C CB -1.742 25.983 27.740 -0.025 0.000 1.982 1317 C HN 0.208 nan 8.230 nan 0.000 0.604 1325 C N 0.078 119.391 119.300 0.023 0.000 4.904 1325 C HA -0.044 4.416 4.460 -0.001 0.000 0.248 1325 C C 0.085 175.086 174.990 0.018 0.000 1.108 1325 C CA 0.386 59.417 59.018 0.021 0.000 1.848 1325 C CB -2.352 25.394 27.740 0.011 0.000 1.702 1325 C HN 1.062 nan 8.230 nan 0.000 0.655 1326 K N -1.035 119.376 120.400 0.018 0.000 4.326 1326 K HA -0.168 4.152 4.320 -0.001 0.000 0.299 1326 K C -1.616 175.013 176.600 0.049 0.000 1.005 1326 K CA 0.841 57.142 56.287 0.023 0.000 0.935 1326 K CB -0.234 32.275 32.500 0.015 0.000 1.551 1326 K HN 0.620 nan 8.250 nan 0.000 0.438 1327 P HA -0.053 nan 4.420 nan 0.000 0.271 1327 P C 0.723 178.108 177.300 0.142 0.000 1.218 1327 P CA -0.382 62.778 63.100 0.100 0.000 0.780 1327 P CB 0.478 32.228 31.700 0.083 0.000 0.901 1328 W N 3.443 124.740 121.300 -0.005 0.000 2.290 1328 W HA -0.206 4.453 4.660 -0.001 0.000 0.318 1328 W C 0.600 177.117 176.519 -0.004 0.000 1.248 1328 W CA 2.452 59.795 57.345 -0.004 0.000 1.263 1328 W CB -0.228 29.230 29.460 -0.004 0.000 1.147 1328 W HN 0.524 nan 8.180 nan 0.000 0.494 1329 S N -0.552 115.214 115.700 0.109 0.000 2.570 1329 S HA 0.638 5.108 4.470 -0.001 0.000 0.286 1329 S C -1.246 173.351 174.600 -0.005 0.000 1.099 1329 S CA -1.048 57.097 58.200 -0.091 0.000 0.913 1329 S CB 2.060 65.243 63.200 -0.028 0.000 1.085 1329 S HN 0.143 nan 8.310 nan 0.000 0.480 1330 L N 2.024 123.218 121.223 -0.048 0.000 2.438 1330 L HA 0.555 4.895 4.340 -0.001 0.000 0.270 1330 L C -0.200 176.656 176.870 -0.023 0.000 0.972 1330 L CA -0.811 54.018 54.840 -0.018 0.000 0.831 1330 L CB 1.900 43.945 42.059 -0.024 0.000 1.273 1330 L HN 0.858 nan 8.230 nan 0.000 0.405 1331 R N 2.940 123.438 120.500 -0.003 0.000 2.638 1331 R HA 0.386 4.726 4.340 -0.001 0.000 0.268 1331 R C -0.523 175.769 176.300 -0.013 0.000 1.006 1331 R CA 0.431 56.528 56.100 -0.005 0.000 1.088 1331 R CB 0.413 30.717 30.300 0.006 0.000 0.950 1331 R HN 0.537 nan 8.270 nan 0.000 0.419 1332 V N 0.000 119.905 119.914 -0.016 0.000 2.409 1332 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 1332 V CA 0.000 62.290 62.300 -0.017 0.000 1.235 1332 V CB 0.000 31.816 31.823 -0.013 0.000 1.184 1332 V HN 0.000 nan 8.190 nan 0.000 0.556