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 3gtj_1_A DATA FIRST_RESID 3 DATA SEQUENCE GQQYSSAPLR TVKEVQFGLF SPEEVRAISV AKIRFPETMD ETQTRAKIGG DATA SEQUENCE LNDPRLGSID RNLKCQTCQE GMNECPGHFG HIDLAKPVFH VGFIAKIKKV DATA SEQUENCE CECVCMHCGK LLLDEHNELM RQALAIKDSK KRFAAIWTLC KTKMVCETDV DATA SEQUENCE PSEXXXXQLV SRGGCGNTQP TIRKDGLKLV GSWKKDRATG DADEPELRVL DATA SEQUENCE STEEILNIFK HISVKDFTSL GFNEVFSRPE WMILTCLPVP PPPVRPSISF DATA SEQUENCE NESQRGEDDL TFKLADILKA NISLETLEHN GAPHHAIEEA ESLLQFHVAT DATA SEQUENCE YMDNDIAGQP QALQKSGRPV KSIRARLKGK EGRIRGNLMG KRVDFSARTV DATA SEQUENCE ISGDPNLELD QVGVPKSIAK TLTYPEVVTP YNIDRLTQLV RNGPNEHPGA DATA SEQUENCE KYVIRDSGDR IDLRYSKRAG DIQLQYGWKV ERHIMDNDPV LFNRQPSLHK DATA SEQUENCE MSMMAHRVKV IPYSTFRLNL SVTSPYNADF DGDEMNLHVP QSEETRAELS DATA SEQUENCE QLCAVPLQIV SPQSNKPCMG IVQDTLCGIR KLTLRDTFIE LDQVLNMLYW DATA SEQUENCE VPDWDGVIPT PAIIKPKPLW SGKQILSVAI PNGIHLQRFD EGTTLLSPKD DATA SEQUENCE NGMLIIDGQI IFGVVEKKTV GSSNGGLIHV VTREKGPQVC AKLFGNIQKV DATA SEQUENCE VNFWLLHNGF STGIGDTIAD GPTMREITET IAEAKKKVLD VTKEAQANLL DATA SEQUENCE TAKHGMTLRE SFEDNVVRFL NEARDKAGRL AEVNLKDLNN VKQMVMAGSK DATA SEQUENCE GSFINIAQMS ACVGQQSVEG KRIAFGFVDR TLPHFSKDDY SPESKGFVEN DATA SEQUENCE SYLRGLTPQE FFFHAMGGRE GLIDTAVKTA ETGYIQRRLV KALEDIMVHY DATA SEQUENCE DNTTRNSLGN VIQFIYGEDG MDAAHIEKQS LDTIGGSDAA FEKRYRVDLL DATA SEQUENCE NTDHTLDPSL LESGSEILGD LKLQVLLDEE YKQLVKDRKF LREVFVDGEA DATA SEQUENCE NWPLPVNIRR IIQNAQQTFH IDHTKPSDLT IKDIVLGVKD LQENLLVLRG DATA SEQUENCE KNEIIQNAQR DAVTLFCCLL RSRLATRRVL QEYRLTKQAF DWVLSNIEAQ DATA SEQUENCE FLRSVVHPGE MVGVLAAQSI GEPATQMTLN TFHXXXVASK KVTSGVPRLK DATA SEQUENCE EILNVAKNMK TPSLTVYLEP GHAADQEQAK LIRSAIEHTT LKSVTIASEI DATA SEQUENCE YYDPDPRSTV IPEDEEIIQL HFSLLDEXXX XXXXQQSPWL LRLELDRAAM DATA SEQUENCE NDKDLTMGQV GERIKQTFKN DLFVIWSEDN DEKLIIRCRV VRPKXXXXXX DATA SEQUENCE EAEEDHMLKK IENTMLENIT LRGVENIERV VMMKYDRKVP SPTGEYVKEP DATA SEQUENCE EWVLETDGVN LSEVMTVPGI DPTRIYTNSF IDIMEVLGIE AGRAALYKEV DATA SEQUENCE YNVIASDGSY VNYRHMALLV DVMTTQGGLT SVTRHGFNRS NTGALMRCSF DATA SEQUENCE EETVEILFEA GASAELDDCR GVSENVILGQ MAPIGTGAFD VMIDEESLV 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.962 3.960 0.003 0.000 0.244 3 G C 0.000 174.901 174.900 0.002 0.000 0.946 3 G CA 0.000 45.100 45.100 -0.000 0.000 0.502 4 Q N -0.597 119.206 119.800 0.005 0.000 2.345 4 Q HA 0.584 4.926 4.340 0.003 0.000 0.176 4 Q C -0.048 175.962 176.000 0.017 0.000 0.723 4 Q CA 0.112 55.919 55.803 0.006 0.000 0.743 4 Q CB 0.884 29.621 28.738 -0.002 0.000 1.260 4 Q HN 0.285 nan 8.270 nan 0.000 0.535 5 Q N -0.733 119.082 119.800 0.025 0.000 2.527 5 Q HA 0.279 4.621 4.340 0.003 0.000 0.280 5 Q C -1.947 174.100 176.000 0.078 0.000 0.977 5 Q CA -0.543 55.294 55.803 0.056 0.000 0.837 5 Q CB 2.064 30.831 28.738 0.049 0.000 1.454 5 Q HN 0.267 nan 8.270 nan 0.000 0.387 6 Y N 0.870 121.169 120.300 -0.002 0.000 2.497 6 Y HA 0.294 4.846 4.550 0.002 0.000 0.334 6 Y C -0.312 175.590 175.900 0.003 0.000 1.199 6 Y CA 0.998 59.098 58.100 0.000 0.000 1.425 6 Y CB 0.978 39.438 38.460 0.001 0.000 1.291 6 Y HN 0.453 nan 8.280 nan 0.000 0.562 7 S N 2.740 118.249 115.700 -0.318 0.000 2.536 7 S HA 0.293 4.765 4.470 0.003 0.000 0.287 7 S C -0.140 174.321 174.600 -0.233 0.000 1.101 7 S CA -0.338 57.768 58.200 -0.156 0.000 0.950 7 S CB 0.979 64.106 63.200 -0.122 0.000 1.056 7 S HN 0.794 nan 8.310 nan 0.000 0.481 8 S N 2.917 118.610 115.700 -0.013 0.000 2.871 8 S HA 0.496 4.967 4.470 0.003 0.000 0.254 8 S C 0.228 174.816 174.600 -0.020 0.000 1.088 8 S CA -0.187 58.029 58.200 0.026 0.000 1.166 8 S CB -0.611 62.645 63.200 0.093 0.000 0.826 8 S HN 1.025 nan 8.310 nan 0.000 0.471 9 A N 2.104 124.881 122.820 -0.071 0.000 2.310 9 A HA 0.696 5.017 4.320 0.003 0.000 0.304 9 A C -2.556 174.984 177.584 -0.073 0.000 1.231 9 A CA -1.582 50.424 52.037 -0.053 0.000 0.799 9 A CB 0.173 19.148 19.000 -0.041 0.000 1.162 9 A HN 0.439 nan 8.150 nan 0.000 0.486 10 P HA 0.217 nan 4.420 nan 0.000 0.264 10 P C -0.374 176.897 177.300 -0.048 0.000 1.193 10 P CA -0.157 62.915 63.100 -0.048 0.000 0.763 10 P CB 0.354 32.040 31.700 -0.023 0.000 0.810 11 L N 4.557 125.746 121.223 -0.057 0.000 2.361 11 L HA 0.322 4.664 4.340 0.003 0.000 0.278 11 L C -0.036 176.815 176.870 -0.031 0.000 1.113 11 L CA 0.519 55.330 54.840 -0.047 0.000 0.849 11 L CB -0.073 41.953 42.059 -0.054 0.000 1.155 11 L HN 0.314 nan 8.230 nan 0.000 0.452 12 R N 2.807 123.291 120.500 -0.026 0.000 2.888 12 R HA 0.632 4.973 4.340 0.003 0.000 0.264 12 R C -0.427 175.862 176.300 -0.019 0.000 1.045 12 R CA -0.980 55.108 56.100 -0.019 0.000 0.962 12 R CB 1.719 32.010 30.300 -0.015 0.000 1.210 12 R HN 0.623 nan 8.270 nan 0.000 0.479 13 T N 0.439 114.983 114.554 -0.016 0.000 2.847 13 T HA 0.239 4.590 4.350 0.003 0.000 0.279 13 T C -0.120 174.569 174.700 -0.017 0.000 0.984 13 T CA -0.534 61.556 62.100 -0.017 0.000 0.988 13 T CB 1.257 70.115 68.868 -0.016 0.000 1.040 13 T HN 0.089 nan 8.240 nan 0.000 0.528 14 V N 2.865 122.768 119.914 -0.019 0.000 2.406 14 V HA 0.245 4.366 4.120 0.003 0.000 0.272 14 V C 0.773 176.856 176.094 -0.019 0.000 1.043 14 V CA -0.083 62.203 62.300 -0.022 0.000 0.915 14 V CB 1.247 33.054 31.823 -0.026 0.000 0.988 14 V HN 0.736 nan 8.190 nan 0.000 0.466 15 K N 2.716 123.104 120.400 -0.020 0.000 2.325 15 K HA 0.348 4.669 4.320 0.003 0.000 0.203 15 K C 0.381 176.970 176.600 -0.018 0.000 1.128 15 K CA 0.410 56.688 56.287 -0.015 0.000 0.931 15 K CB 0.717 33.211 32.500 -0.009 0.000 1.125 15 K HN 0.632 nan 8.250 nan 0.000 0.487 16 E N 0.778 120.961 120.200 -0.029 0.000 2.227 16 E HA 0.402 4.753 4.350 0.003 0.000 0.268 16 E C -1.264 175.292 176.600 -0.073 0.000 0.907 16 E CA -0.658 55.718 56.400 -0.041 0.000 0.786 16 E CB 2.898 32.575 29.700 -0.038 0.000 1.191 16 E HN -0.272 nan 8.360 nan 0.000 0.411 17 V N 3.174 123.031 119.914 -0.094 0.000 2.409 17 V HA 0.179 4.301 4.120 0.003 0.000 0.290 17 V C -0.613 175.337 176.094 -0.240 0.000 1.017 17 V CA -0.724 61.460 62.300 -0.194 0.000 0.841 17 V CB 1.483 33.188 31.823 -0.198 0.000 1.003 17 V HN 0.553 nan 8.190 nan 0.000 0.426 18 Q N 4.233 123.859 119.800 -0.290 0.000 2.425 18 Q HA 0.459 4.801 4.340 0.003 0.000 0.254 18 Q C -1.091 174.724 176.000 -0.307 0.000 1.032 18 Q CA -0.413 55.218 55.803 -0.287 0.000 0.798 18 Q CB 1.174 29.718 28.738 -0.322 0.000 1.210 18 Q HN 0.587 nan 8.270 nan 0.000 0.491 19 F N 0.968 120.822 119.950 -0.160 0.000 2.443 19 F HA 0.547 5.076 4.527 0.003 0.000 0.353 19 F C 1.301 177.050 175.800 -0.084 0.000 1.101 19 F CA 0.581 58.526 58.000 -0.091 0.000 1.226 19 F CB 1.293 40.256 39.000 -0.062 0.000 1.140 19 F HN 0.542 nan 8.300 nan 0.000 0.557 20 G N 2.528 111.427 108.800 0.165 0.000 2.871 20 G HA2 0.748 4.710 3.960 0.003 0.000 0.282 20 G HA3 0.748 4.710 3.960 0.003 0.000 0.282 20 G C -1.727 173.244 174.900 0.118 0.000 1.212 20 G CA -0.822 44.381 45.100 0.171 0.000 0.812 20 G HN 0.479 nan 8.290 nan 0.000 0.547 21 L N -0.648 120.635 121.223 0.100 0.000 2.376 21 L HA 0.564 4.905 4.340 0.003 0.000 0.258 21 L C -1.300 175.533 176.870 -0.061 0.000 1.013 21 L CA -0.749 54.144 54.840 0.090 0.000 0.822 21 L CB 2.719 44.894 42.059 0.193 0.000 1.388 21 L HN 0.421 nan 8.230 nan 0.000 0.413 22 F N 0.689 120.646 119.950 0.012 0.000 2.404 22 F HA 0.351 4.880 4.527 0.003 0.000 0.345 22 F C 0.685 176.277 175.800 -0.347 0.000 1.110 22 F CA -0.134 57.775 58.000 -0.151 0.000 1.130 22 F CB 1.881 40.828 39.000 -0.088 0.000 1.129 22 F HN 0.384 nan 8.300 nan 0.000 0.500 23 S N 4.878 120.285 115.700 -0.489 0.000 2.509 23 S HA 0.420 4.891 4.470 0.003 0.000 0.297 23 S C -1.946 172.401 174.600 -0.422 0.000 1.118 23 S CA -1.643 56.014 58.200 -0.905 0.000 1.074 23 S CB 1.855 63.954 63.200 -1.836 0.000 1.038 23 S HN 0.302 nan 8.310 nan 0.000 0.498 24 P HA -0.219 nan 4.420 nan 0.000 0.219 24 P C 1.178 178.360 177.300 -0.197 0.000 1.153 24 P CA 1.563 64.557 63.100 -0.177 0.000 0.865 24 P CB 0.098 31.736 31.700 -0.103 0.000 0.788 25 E N -0.698 119.353 120.200 -0.248 0.000 2.072 25 E HA -0.182 4.169 4.350 0.003 0.000 0.191 25 E C 2.027 178.509 176.600 -0.196 0.000 0.985 25 E CA 0.976 57.260 56.400 -0.194 0.000 0.801 25 E CB -0.071 29.527 29.700 -0.170 0.000 0.750 25 E HN 0.325 nan 8.360 nan 0.000 0.452 26 E N -0.404 119.647 120.200 -0.247 0.000 2.021 26 E HA -0.128 4.223 4.350 0.003 0.000 0.189 26 E C 2.222 178.755 176.600 -0.112 0.000 0.980 26 E CA 1.041 57.341 56.400 -0.167 0.000 0.803 26 E CB 0.127 29.720 29.700 -0.179 0.000 0.766 26 E HN 0.074 nan 8.360 nan 0.000 0.449 27 V N 1.533 121.391 119.914 -0.092 0.000 2.231 27 V HA -0.332 3.789 4.120 0.003 0.000 0.250 27 V C 2.434 178.396 176.094 -0.219 0.000 1.058 27 V CA 2.174 64.398 62.300 -0.126 0.000 1.022 27 V CB -0.609 31.119 31.823 -0.159 0.000 0.640 27 V HN 0.247 nan 8.190 nan 0.000 0.445 28 R N -0.051 120.270 120.500 -0.297 0.000 2.200 28 R HA -0.104 4.237 4.340 0.003 0.000 0.234 28 R C 1.831 177.913 176.300 -0.363 0.000 1.127 28 R CA 1.345 57.137 56.100 -0.514 0.000 0.989 28 R CB -0.212 29.882 30.300 -0.345 0.000 0.869 28 R HN 0.564 nan 8.270 nan 0.000 0.459 29 A N -0.661 122.038 122.820 -0.202 0.000 2.348 29 A HA 0.148 4.470 4.320 0.003 0.000 0.224 29 A C 1.455 178.995 177.584 -0.073 0.000 1.227 29 A CA -0.199 51.766 52.037 -0.120 0.000 0.885 29 A CB 0.223 19.165 19.000 -0.096 0.000 0.933 29 A HN 0.320 nan 8.150 nan 0.000 0.506 30 I N -0.308 120.221 120.570 -0.068 0.000 3.854 30 I HA 0.076 4.247 4.170 0.003 0.000 0.312 30 I C 0.828 176.966 176.117 0.035 0.000 1.273 30 I CA 0.751 62.042 61.300 -0.014 0.000 1.298 30 I CB 0.438 38.435 38.000 -0.005 0.000 1.071 30 I HN 0.345 nan 8.210 nan 0.000 0.428 31 S N -0.743 114.997 115.700 0.066 0.000 2.638 31 S HA 0.410 4.882 4.470 0.003 0.000 0.302 31 S C 0.246 174.925 174.600 0.132 0.000 1.096 31 S CA -0.310 57.978 58.200 0.147 0.000 0.953 31 S CB 1.761 65.109 63.200 0.245 0.000 1.107 31 S HN 0.003 nan 8.310 nan 0.000 0.503 32 V N -1.925 118.042 119.914 0.089 0.000 3.249 32 V HA 0.717 4.839 4.120 0.003 0.000 0.338 32 V C 0.394 176.499 176.094 0.019 0.000 1.363 32 V CA 0.001 62.319 62.300 0.030 0.000 1.205 32 V CB -1.044 30.749 31.823 -0.050 0.000 1.164 32 V HN 1.039 nan 8.190 nan 0.000 0.458 33 A N 0.070 122.910 122.820 0.034 0.000 2.356 33 A HA 0.749 5.071 4.320 0.003 0.000 0.310 33 A C 0.601 178.035 177.584 -0.251 0.000 1.075 33 A CA -0.655 51.337 52.037 -0.074 0.000 0.746 33 A CB 1.861 20.814 19.000 -0.078 0.000 1.221 33 A HN 0.252 nan 8.150 nan 0.000 0.443 34 K N 1.346 121.637 120.400 -0.183 0.000 2.044 34 K HA 0.186 4.508 4.320 0.003 0.000 0.204 34 K C -0.129 176.327 176.600 -0.240 0.000 1.049 34 K CA 0.903 57.068 56.287 -0.204 0.000 0.945 34 K CB -0.037 32.427 32.500 -0.061 0.000 0.724 34 K HN 0.626 nan 8.250 nan 0.000 0.440 35 I N 1.427 121.912 120.570 -0.142 0.000 6.132 35 I HA -0.284 3.888 4.170 0.003 0.000 0.126 35 I C 0.526 176.625 176.117 -0.029 0.000 1.821 35 I CA 0.506 61.747 61.300 -0.097 0.000 2.038 35 I CB -1.931 35.977 38.000 -0.154 0.000 3.442 35 I HN 0.276 nan 8.210 nan 0.000 0.169 36 R N 0.462 121.002 120.500 0.068 0.000 2.064 36 R HA 0.187 4.528 4.340 0.003 0.000 0.221 36 R C 0.469 176.819 176.300 0.085 0.000 1.136 36 R CA 1.094 57.263 56.100 0.116 0.000 0.980 36 R CB 0.202 30.672 30.300 0.285 0.000 0.876 36 R HN 0.151 nan 8.270 nan 0.000 0.437 37 F N 1.358 121.272 119.950 -0.060 0.000 2.394 37 F HA 0.270 4.799 4.527 0.003 0.000 0.340 37 F C -1.528 174.234 175.800 -0.063 0.000 1.105 37 F CA -2.866 55.101 58.000 -0.054 0.000 1.124 37 F CB 1.207 40.178 39.000 -0.048 0.000 1.145 37 F HN -0.060 nan 8.300 nan 0.000 0.505 38 P HA 0.104 nan 4.420 nan 0.000 0.262 38 P C -0.292 177.012 177.300 0.008 0.000 1.304 38 P CA 0.205 63.303 63.100 -0.002 0.000 0.859 38 P CB 0.229 31.904 31.700 -0.041 0.000 1.310 39 E N -0.737 119.500 120.200 0.061 0.000 2.421 39 E HA 0.180 4.531 4.350 0.003 0.000 0.253 39 E C 1.267 177.859 176.600 -0.013 0.000 1.277 39 E CA 0.415 56.836 56.400 0.034 0.000 0.968 39 E CB 0.143 29.889 29.700 0.077 0.000 1.040 39 E HN -0.142 nan 8.360 nan 0.000 0.512 40 T N -0.625 113.908 114.554 -0.034 0.000 2.988 40 T HA 0.239 4.591 4.350 0.003 0.000 0.240 40 T C 0.251 174.920 174.700 -0.052 0.000 1.014 40 T CA 0.505 62.568 62.100 -0.060 0.000 1.155 40 T CB 0.159 68.979 68.868 -0.081 0.000 0.872 40 T HN 0.296 nan 8.240 nan 0.000 0.440 41 M N -0.697 118.877 119.600 -0.043 0.000 3.748 41 M HA 0.340 4.822 4.480 0.003 0.000 0.354 41 M C -2.349 173.935 176.300 -0.028 0.000 1.543 41 M CA -0.753 54.530 55.300 -0.030 0.000 0.907 41 M CB 1.418 34.011 32.600 -0.012 0.000 2.192 41 M HN -0.156 nan 8.290 nan 0.000 0.508 42 D N 0.749 121.139 120.400 -0.018 0.000 2.269 42 D HA 0.397 5.038 4.640 0.003 0.000 0.244 42 D C -1.254 175.037 176.300 -0.016 0.000 0.992 42 D CA -0.037 53.952 54.000 -0.018 0.000 0.894 42 D CB 1.528 42.322 40.800 -0.010 0.000 1.248 42 D HN 0.587 nan 8.370 nan 0.000 0.468 43 E N 0.892 121.079 120.200 -0.022 0.000 2.490 43 E HA 0.193 4.544 4.350 0.003 0.000 0.232 43 E C -0.752 175.840 176.600 -0.013 0.000 1.091 43 E CA -0.282 56.105 56.400 -0.022 0.000 1.050 43 E CB 0.287 29.964 29.700 -0.038 0.000 1.342 43 E HN 0.373 nan 8.360 nan 0.000 0.454 44 T N 2.071 116.622 114.554 -0.005 0.000 3.501 44 T HA -0.264 4.088 4.350 0.003 0.000 0.411 44 T C 0.034 174.732 174.700 -0.004 0.000 0.766 44 T CA 0.696 62.795 62.100 -0.002 0.000 2.129 44 T CB -1.462 67.406 68.868 -0.000 0.000 1.711 44 T HN 0.774 nan 8.240 nan 0.000 0.712 45 Q N -1.626 118.172 119.800 -0.004 0.000 2.459 45 Q HA -0.183 4.159 4.340 0.003 0.000 0.322 45 Q C 0.443 176.437 176.000 -0.009 0.000 1.427 45 Q CA 1.122 56.922 55.803 -0.005 0.000 0.861 45 Q CB -1.913 26.824 28.738 -0.002 0.000 1.137 45 Q HN 0.862 nan 8.270 nan 0.000 0.394 46 T N -2.443 112.104 114.554 -0.013 0.000 3.328 46 T HA 0.273 4.625 4.350 0.003 0.000 0.305 46 T C 0.562 175.249 174.700 -0.021 0.000 0.939 46 T CA -0.049 62.041 62.100 -0.017 0.000 0.950 46 T CB 0.493 69.349 68.868 -0.020 0.000 1.182 46 T HN 0.359 nan 8.240 nan 0.000 0.545 47 R N 1.062 121.551 120.500 -0.019 0.000 3.793 47 R HA -0.277 4.065 4.340 0.003 0.000 0.318 47 R C 1.263 177.547 176.300 -0.028 0.000 0.729 47 R CA 1.942 58.029 56.100 -0.022 0.000 1.731 47 R CB -2.289 27.997 30.300 -0.022 0.000 1.879 47 R HN 0.901 nan 8.270 nan 0.000 0.498 48 A N -1.112 121.689 122.820 -0.032 0.000 5.778 48 A HA -0.376 3.946 4.320 0.003 0.000 0.313 48 A C 1.022 178.579 177.584 -0.045 0.000 1.849 48 A CA 2.231 54.242 52.037 -0.042 0.000 0.746 48 A CB -0.894 18.079 19.000 -0.046 0.000 1.308 48 A HN 0.284 nan 8.150 nan 0.000 0.397 49 K N -1.990 118.378 120.400 -0.054 0.000 2.638 49 K HA 0.463 4.784 4.320 0.003 0.000 0.207 49 K C 1.000 177.566 176.600 -0.056 0.000 1.429 49 K CA 0.792 57.047 56.287 -0.054 0.000 0.957 49 K CB -0.182 32.283 32.500 -0.058 0.000 1.733 49 K HN 0.807 nan 8.250 nan 0.000 0.474 50 I N 0.536 121.066 120.570 -0.066 0.000 2.707 50 I HA 0.337 4.508 4.170 0.003 0.000 0.309 50 I C 0.521 176.573 176.117 -0.108 0.000 1.001 50 I CA -0.497 60.750 61.300 -0.088 0.000 1.129 50 I CB 2.059 40.002 38.000 -0.095 0.000 1.308 50 I HN 0.329 nan 8.210 nan 0.000 0.466 51 G N 3.266 111.981 108.800 -0.142 0.000 3.262 51 G HA2 0.133 4.094 3.960 0.003 0.000 0.222 51 G HA3 0.133 4.094 3.960 0.003 0.000 0.222 51 G C 0.678 175.458 174.900 -0.199 0.000 1.269 51 G CA 0.516 45.525 45.100 -0.152 0.000 1.032 51 G HN 0.901 nan 8.290 nan 0.000 0.502 52 G N -0.384 108.302 108.800 -0.190 0.000 2.881 52 G HA2 0.165 4.126 3.960 0.003 0.000 0.198 52 G HA3 0.165 4.126 3.960 0.003 0.000 0.198 52 G C 1.204 176.108 174.900 0.006 0.000 1.081 52 G CA 0.395 45.410 45.100 -0.141 0.000 0.787 52 G HN 0.344 nan 8.290 nan 0.000 0.622 53 L N 0.839 122.057 121.223 -0.009 0.000 2.228 53 L HA 0.303 4.645 4.340 0.003 0.000 0.196 53 L C 0.541 177.379 176.870 -0.054 0.000 1.162 53 L CA 0.850 55.677 54.840 -0.021 0.000 0.801 53 L CB 0.222 42.264 42.059 -0.029 0.000 0.983 53 L HN 0.320 nan 8.230 nan 0.000 0.471 54 N N -1.417 117.246 118.700 -0.063 0.000 2.735 54 N HA 0.118 4.860 4.740 0.003 0.000 0.312 54 N C -0.576 174.899 175.510 -0.059 0.000 1.843 54 N CA -0.189 52.819 53.050 -0.069 0.000 0.945 54 N CB 0.877 39.316 38.487 -0.081 0.000 1.299 54 N HN 0.265 nan 8.380 nan 0.000 0.489 55 D N -0.357 120.010 120.400 -0.054 0.000 2.218 55 D HA 0.214 4.855 4.640 0.003 0.000 0.307 55 D C -2.247 174.030 176.300 -0.039 0.000 1.086 55 D CA -0.200 53.773 54.000 -0.045 0.000 0.886 55 D CB -0.247 40.521 40.800 -0.053 0.000 1.645 55 D HN 0.136 nan 8.370 nan 0.000 0.523 56 P HA -0.046 nan 4.420 nan 0.000 0.252 56 P C -0.145 177.132 177.300 -0.038 0.000 1.147 56 P CA 0.520 63.592 63.100 -0.048 0.000 0.779 56 P CB 0.134 31.802 31.700 -0.053 0.000 0.733 57 R N 1.746 122.222 120.500 -0.040 0.000 3.782 57 R HA -0.200 4.141 4.340 0.003 0.000 0.276 57 R C 0.394 176.679 176.300 -0.026 0.000 1.178 57 R CA 0.856 56.926 56.100 -0.050 0.000 0.783 57 R CB -2.004 28.245 30.300 -0.085 0.000 1.146 57 R HN 0.587 nan 8.270 nan 0.000 0.507 58 L N -1.413 119.824 121.223 0.023 0.000 2.869 58 L HA 0.359 4.701 4.340 0.003 0.000 0.320 58 L C -0.506 176.387 176.870 0.038 0.000 1.306 58 L CA 0.129 55.029 54.840 0.098 0.000 0.731 58 L CB 0.677 42.787 42.059 0.086 0.000 1.123 58 L HN 0.159 nan 8.230 nan 0.000 0.553 59 G N 0.608 109.422 108.800 0.023 0.000 2.478 59 G HA2 0.580 4.541 3.960 0.003 0.000 0.317 59 G HA3 0.580 4.541 3.960 0.003 0.000 0.317 59 G C -0.806 174.090 174.900 -0.007 0.000 1.259 59 G CA -0.307 44.789 45.100 -0.008 0.000 0.933 59 G HN 0.423 nan 8.290 nan 0.000 0.478 60 S N 1.945 117.633 115.700 -0.021 0.000 2.614 60 S HA 0.441 4.912 4.470 0.003 0.000 0.259 60 S C -0.014 174.567 174.600 -0.033 0.000 1.118 60 S CA -0.740 57.445 58.200 -0.024 0.000 1.065 60 S CB 0.980 64.164 63.200 -0.026 0.000 1.121 60 S HN 0.381 nan 8.310 nan 0.000 0.458 61 I N 0.848 121.400 120.570 -0.031 0.000 4.770 61 I HA 0.298 4.470 4.170 0.003 0.000 0.327 61 I C 0.219 176.318 176.117 -0.030 0.000 1.271 61 I CA 0.262 61.542 61.300 -0.032 0.000 1.320 61 I CB 0.084 38.063 38.000 -0.034 0.000 1.319 61 I HN 0.677 nan 8.210 nan 0.000 0.462 62 D N 1.685 122.068 120.400 -0.028 0.000 2.963 62 D HA 0.267 4.909 4.640 0.003 0.000 0.361 62 D C 0.097 176.382 176.300 -0.025 0.000 1.317 62 D CA -0.400 53.584 54.000 -0.028 0.000 0.832 62 D CB 0.121 40.904 40.800 -0.029 0.000 1.135 62 D HN -0.144 nan 8.370 nan 0.000 0.476 63 R N 0.203 120.689 120.500 -0.024 0.000 3.405 63 R HA -0.225 4.117 4.340 0.003 0.000 0.258 63 R C -0.862 175.428 176.300 -0.018 0.000 1.030 63 R CA 0.547 56.635 56.100 -0.021 0.000 0.691 63 R CB -2.450 27.838 30.300 -0.020 0.000 1.093 63 R HN 0.423 nan 8.270 nan 0.000 0.448 64 N N 0.826 119.515 118.700 -0.018 0.000 2.462 64 N HA 0.085 4.827 4.740 0.003 0.000 0.242 64 N C 0.665 176.170 175.510 -0.007 0.000 1.010 64 N CA -0.677 52.365 53.050 -0.014 0.000 0.939 64 N CB 0.706 39.183 38.487 -0.017 0.000 1.127 64 N HN -0.057 nan 8.380 nan 0.000 0.509 65 L N 1.976 123.197 121.223 -0.003 0.000 2.549 65 L HA -0.081 4.260 4.340 0.003 0.000 0.229 65 L C 1.550 178.429 176.870 0.015 0.000 1.158 65 L CA 1.143 55.986 54.840 0.005 0.000 0.842 65 L CB -1.071 40.991 42.059 0.005 0.000 0.952 65 L HN 0.507 nan 8.230 nan 0.000 0.452 66 K N 1.118 121.522 120.400 0.007 0.000 2.643 66 K HA -0.035 4.287 4.320 0.003 0.000 0.193 66 K C 0.669 177.280 176.600 0.018 0.000 1.027 66 K CA 0.106 56.397 56.287 0.006 0.000 1.033 66 K CB -0.771 31.725 32.500 -0.006 0.000 0.827 66 K HN 0.531 nan 8.250 nan 0.000 0.500 67 C N 1.780 121.108 119.300 0.047 0.000 2.428 67 C HA 0.203 4.664 4.460 0.003 0.000 0.362 67 C C 0.732 175.764 174.990 0.071 0.000 1.114 67 C CA -1.142 57.934 59.018 0.097 0.000 1.473 67 C CB -1.595 26.260 27.740 0.191 0.000 2.003 67 C HN 0.672 nan 8.230 nan 0.000 0.526 68 Q N 1.359 121.158 119.800 -0.002 0.000 2.437 68 Q HA -0.253 4.089 4.340 0.003 0.000 0.274 68 Q C 0.318 176.309 176.000 -0.015 0.000 1.165 68 Q CA 1.464 57.241 55.803 -0.043 0.000 0.925 68 Q CB -3.150 25.509 28.738 -0.131 0.000 1.327 68 Q HN 1.469 nan 8.270 nan 0.000 0.505 69 T N -4.085 110.474 114.554 0.008 0.000 4.039 69 T HA -0.340 4.012 4.350 0.003 0.000 0.352 69 T C 1.017 175.737 174.700 0.032 0.000 0.756 69 T CA 0.747 62.856 62.100 0.015 0.000 1.923 69 T CB -2.179 66.691 68.868 0.003 0.000 1.848 69 T HN 0.748 nan 8.240 nan 0.000 0.835 70 C N 0.374 119.713 119.300 0.065 0.000 2.432 70 C HA -0.004 4.457 4.460 0.003 0.000 0.280 70 C C 1.899 176.922 174.990 0.055 0.000 1.353 70 C CA 1.318 60.393 59.018 0.095 0.000 1.766 70 C CB -1.116 26.732 27.740 0.181 0.000 1.924 70 C HN 0.898 nan 8.230 nan 0.000 0.509 71 Q N -1.697 118.126 119.800 0.038 0.000 0.903 71 Q HA -0.255 4.087 4.340 0.003 0.000 0.328 71 Q C 0.760 176.770 176.000 0.017 0.000 1.052 71 Q CA 1.231 57.047 55.803 0.022 0.000 0.518 71 Q CB -0.798 27.952 28.738 0.019 0.000 5.039 71 Q HN 0.534 nan 8.270 nan 0.000 0.421 72 E N -2.199 118.008 120.200 0.012 0.000 4.052 72 E HA -0.329 4.023 4.350 0.003 0.000 0.197 72 E C 0.528 177.127 176.600 -0.001 0.000 1.231 72 E CA 2.271 58.675 56.400 0.006 0.000 2.254 72 E CB -1.747 27.956 29.700 0.006 0.000 1.844 72 E HN 1.297 nan 8.360 nan 0.000 0.340 73 G N -0.276 108.520 108.800 -0.006 0.000 2.351 73 G HA2 0.331 4.292 3.960 0.003 0.000 0.279 73 G HA3 0.331 4.292 3.960 0.003 0.000 0.279 73 G C 0.288 175.174 174.900 -0.023 0.000 1.297 73 G CA 0.348 45.440 45.100 -0.012 0.000 0.886 73 G HN 0.398 nan 8.290 nan 0.000 0.493 74 M N -0.104 119.480 119.600 -0.027 0.000 2.561 74 M HA 0.365 4.846 4.480 0.003 0.000 0.238 74 M C 1.199 177.476 176.300 -0.039 0.000 1.131 74 M CA 1.330 56.607 55.300 -0.038 0.000 1.046 74 M CB -0.034 32.544 32.600 -0.036 0.000 1.532 74 M HN 0.325 nan 8.290 nan 0.000 0.497 75 N N 0.629 119.311 118.700 -0.029 0.000 2.412 75 N HA -0.063 4.678 4.740 0.003 0.000 0.184 75 N C 1.377 176.871 175.510 -0.027 0.000 1.101 75 N CA 0.911 53.945 53.050 -0.026 0.000 0.881 75 N CB 0.352 38.829 38.487 -0.018 0.000 0.969 75 N HN 0.561 nan 8.380 nan 0.000 0.459 76 E N -0.937 119.244 120.200 -0.032 0.000 2.406 76 E HA 0.212 4.564 4.350 0.003 0.000 0.204 76 E C -0.434 176.134 176.600 -0.052 0.000 0.820 76 E CA -0.145 56.236 56.400 -0.031 0.000 1.136 76 E CB -0.110 29.580 29.700 -0.017 0.000 1.129 76 E HN 0.223 nan 8.360 nan 0.000 0.530 77 C N 3.560 122.811 119.300 -0.081 0.000 2.255 77 C HA -0.016 4.446 4.460 0.003 0.000 0.401 77 C C -1.047 173.837 174.990 -0.177 0.000 1.529 77 C CA -1.097 57.818 59.018 -0.172 0.000 1.418 77 C CB -0.077 27.518 27.740 -0.243 0.000 2.522 77 C HN 0.385 nan 8.230 nan 0.000 0.616 78 P HA 0.178 nan 4.420 nan 0.000 0.202 78 P C 0.257 177.505 177.300 -0.086 0.000 1.189 78 P CA 1.492 64.550 63.100 -0.071 0.000 0.921 78 P CB 0.029 31.723 31.700 -0.009 0.000 0.756 79 G N -1.351 107.407 108.800 -0.069 0.000 2.552 79 G HA2 0.328 4.290 3.960 0.003 0.000 0.288 79 G HA3 0.328 4.290 3.960 0.003 0.000 0.288 79 G C -1.725 173.244 174.900 0.114 0.000 1.358 79 G CA -0.222 44.867 45.100 -0.018 0.000 1.305 79 G HN 0.074 nan 8.290 nan 0.000 0.602 80 H N 2.338 121.422 119.070 0.024 0.000 2.690 80 H HA 0.394 4.951 4.556 0.003 0.000 0.289 80 H C -0.436 174.894 175.328 0.004 0.000 1.089 80 H CA -1.017 55.054 56.048 0.038 0.000 1.299 80 H CB 0.668 30.431 29.762 0.002 0.000 1.405 80 H HN 0.348 nan 8.280 nan 0.000 0.463 81 F N 0.947 120.970 119.950 0.121 0.000 2.380 81 F HA 0.464 4.993 4.527 0.003 0.000 0.325 81 F C 1.323 177.148 175.800 0.043 0.000 1.136 81 F CA 0.453 58.488 58.000 0.058 0.000 1.171 81 F CB 1.294 40.312 39.000 0.030 0.000 1.230 81 F HN 0.528 nan 8.300 nan 0.000 0.554 82 G N 0.298 109.214 108.800 0.193 0.000 2.816 82 G HA2 0.603 4.565 3.960 0.003 0.000 0.288 82 G HA3 0.603 4.565 3.960 0.003 0.000 0.288 82 G C -2.102 172.920 174.900 0.202 0.000 1.334 82 G CA -0.675 44.499 45.100 0.123 0.000 0.978 82 G HN 0.833 nan 8.290 nan 0.000 0.493 83 H N -1.823 117.274 119.070 0.044 0.000 2.894 83 H HA 0.680 5.238 4.556 0.003 0.000 0.367 83 H C -1.584 173.746 175.328 0.002 0.000 1.144 83 H CA -1.112 54.949 56.048 0.021 0.000 1.180 83 H CB 2.003 31.766 29.762 0.001 0.000 1.758 83 H HN 0.515 nan 8.280 nan 0.000 0.541 84 I N 2.873 123.472 120.570 0.048 0.000 2.362 84 I HA 0.224 4.396 4.170 0.003 0.000 0.289 84 I C -0.838 175.319 176.117 0.066 0.000 0.994 84 I CA -0.561 60.733 61.300 -0.009 0.000 1.158 84 I CB 1.270 39.248 38.000 -0.037 0.000 1.315 84 I HN 0.826 nan 8.210 nan 0.000 0.451 85 D N 8.717 129.152 120.400 0.058 0.000 2.342 85 D HA 0.193 4.835 4.640 0.003 0.000 0.260 85 D C 0.055 176.379 176.300 0.040 0.000 1.278 85 D CA 0.145 54.189 54.000 0.074 0.000 0.910 85 D CB 1.079 41.920 40.800 0.069 0.000 1.079 85 D HN 0.428 nan 8.370 nan 0.000 0.496 86 L N 1.841 123.089 121.223 0.042 0.000 2.371 86 L HA 0.221 4.562 4.340 0.003 0.000 0.272 86 L C 1.593 178.482 176.870 0.032 0.000 1.124 86 L CA -0.513 54.346 54.840 0.032 0.000 0.816 86 L CB 1.435 43.514 42.059 0.033 0.000 1.129 86 L HN 0.374 nan 8.230 nan 0.000 0.448 87 A N 4.036 126.873 122.820 0.030 0.000 1.832 87 A HA -0.003 4.318 4.320 0.003 0.000 0.214 87 A C 0.838 178.435 177.584 0.021 0.000 1.200 87 A CA 1.153 53.208 52.037 0.031 0.000 0.610 87 A CB -0.001 19.018 19.000 0.031 0.000 0.842 87 A HN 0.676 nan 8.150 nan 0.000 0.444 88 K N 0.044 120.454 120.400 0.016 0.000 2.270 88 K HA 0.464 4.785 4.320 0.003 0.000 0.255 88 K C -2.853 173.746 176.600 -0.002 0.000 0.936 88 K CA -2.278 54.012 56.287 0.005 0.000 0.809 88 K CB 1.487 33.988 32.500 0.000 0.000 1.131 88 K HN 0.040 nan 8.250 nan 0.000 0.427 89 P HA -0.110 nan 4.420 nan 0.000 0.264 89 P C -1.074 176.168 177.300 -0.097 0.000 1.179 89 P CA -0.163 62.906 63.100 -0.052 0.000 0.763 89 P CB 0.411 32.067 31.700 -0.074 0.000 0.806 90 V N -0.156 119.703 119.914 -0.092 0.000 3.007 90 V HA 0.545 4.667 4.120 0.003 0.000 0.311 90 V C -0.117 175.933 176.094 -0.074 0.000 1.120 90 V CA -1.060 61.195 62.300 -0.074 0.000 0.980 90 V CB 1.321 33.179 31.823 0.058 0.000 1.033 90 V HN 0.222 nan 8.190 nan 0.000 0.429 91 F N 0.892 120.902 119.950 0.101 0.000 2.331 91 F HA 0.545 5.073 4.527 0.003 0.000 0.293 91 F C 0.583 176.478 175.800 0.157 0.000 1.277 91 F CA 0.428 58.502 58.000 0.123 0.000 1.204 91 F CB 0.219 39.282 39.000 0.105 0.000 1.374 91 F HN 0.874 nan 8.300 nan 0.000 0.520 92 H N -0.953 118.292 119.070 0.292 0.000 2.667 92 H HA 0.361 4.918 4.556 0.003 0.000 0.353 92 H C 0.398 175.735 175.328 0.015 0.000 1.072 92 H CA -0.817 55.319 56.048 0.147 0.000 1.214 92 H CB 1.496 31.394 29.762 0.227 0.000 1.600 92 H HN 0.348 nan 8.280 nan 0.000 0.527 93 V N 2.224 122.050 119.914 -0.147 0.000 2.332 93 V HA -0.111 4.011 4.120 0.003 0.000 0.248 93 V C 1.965 177.957 176.094 -0.169 0.000 1.055 93 V CA 2.043 64.270 62.300 -0.121 0.000 1.038 93 V CB -0.940 30.787 31.823 -0.161 0.000 0.651 93 V HN 0.838 nan 8.190 nan 0.000 0.450 94 G N -1.787 106.756 108.800 -0.428 0.000 2.920 94 G HA2 0.140 4.102 3.960 0.003 0.000 0.208 94 G HA3 0.140 4.102 3.960 0.003 0.000 0.208 94 G C 1.034 175.477 174.900 -0.761 0.000 1.159 94 G CA 0.161 44.764 45.100 -0.828 0.000 0.784 94 G HN 0.584 nan 8.290 nan 0.000 0.535 95 F N -0.470 119.391 119.950 -0.147 0.000 2.728 95 F HA 0.316 4.844 4.527 0.003 0.000 0.314 95 F C 2.014 177.795 175.800 -0.032 0.000 1.094 95 F CA -0.788 57.138 58.000 -0.123 0.000 1.217 95 F CB 0.460 39.352 39.000 -0.180 0.000 1.056 95 F HN -0.059 nan 8.300 nan 0.000 0.577 96 I N 1.240 121.878 120.570 0.113 0.000 2.087 96 I HA -0.376 3.795 4.170 0.003 0.000 0.240 96 I C 2.781 178.922 176.117 0.040 0.000 1.054 96 I CA 1.851 63.179 61.300 0.047 0.000 1.311 96 I CB -1.476 36.510 38.000 -0.023 0.000 1.024 96 I HN 0.143 nan 8.210 nan 0.000 0.402 97 A N 0.529 123.362 122.820 0.022 0.000 1.884 97 A HA -0.276 4.046 4.320 0.003 0.000 0.219 97 A C 2.397 180.000 177.584 0.031 0.000 1.197 97 A CA 2.172 54.216 52.037 0.011 0.000 0.637 97 A CB -0.655 18.340 19.000 -0.009 0.000 0.827 97 A HN 0.404 nan 8.150 nan 0.000 0.450 98 K N -0.893 119.543 120.400 0.060 0.000 2.057 98 K HA -0.014 4.308 4.320 0.003 0.000 0.206 98 K C 1.929 178.620 176.600 0.153 0.000 1.050 98 K CA 1.300 57.630 56.287 0.070 0.000 0.935 98 K CB -0.376 32.130 32.500 0.010 0.000 0.715 98 K HN 0.559 nan 8.250 nan 0.000 0.439 99 I N 1.550 122.218 120.570 0.162 0.000 2.194 99 I HA -0.362 3.809 4.170 0.003 0.000 0.246 99 I C 2.592 178.873 176.117 0.274 0.000 1.093 99 I CA 1.396 62.837 61.300 0.234 0.000 1.355 99 I CB -0.218 37.912 38.000 0.217 0.000 1.046 99 I HN 0.188 nan 8.210 nan 0.000 0.413 100 K N 1.405 121.909 120.400 0.174 0.000 2.009 100 K HA -0.235 4.086 4.320 0.003 0.000 0.210 100 K C 2.113 178.842 176.600 0.216 0.000 1.049 100 K CA 1.707 58.089 56.287 0.158 0.000 0.929 100 K CB -0.049 32.505 32.500 0.090 0.000 0.714 100 K HN 0.167 nan 8.250 nan 0.000 0.440 101 K N 0.096 120.595 120.400 0.164 0.000 2.147 101 K HA -0.098 4.224 4.320 0.003 0.000 0.205 101 K C 1.987 178.832 176.600 0.408 0.000 1.049 101 K CA 1.205 57.566 56.287 0.123 0.000 0.936 101 K CB 0.067 32.434 32.500 -0.221 0.000 0.722 101 K HN 0.049 nan 8.250 nan 0.000 0.446 102 V N 0.618 120.802 119.914 0.449 0.000 2.407 102 V HA -0.227 3.895 4.120 0.003 0.000 0.245 102 V C 2.267 178.570 176.094 0.348 0.000 1.041 102 V CA 1.283 63.882 62.300 0.498 0.000 1.040 102 V CB -0.239 31.930 31.823 0.576 0.000 0.671 102 V HN 0.401 nan 8.190 nan 0.000 0.455 103 C N 0.148 119.635 119.300 0.312 0.000 2.410 103 C HA -0.138 4.324 4.460 0.003 0.000 0.281 103 C C 2.035 177.116 174.990 0.151 0.000 1.318 103 C CA 0.710 59.832 59.018 0.172 0.000 1.776 103 C CB -1.213 26.640 27.740 0.188 0.000 1.942 103 C HN 0.583 nan 8.230 nan 0.000 0.508 104 E N -1.525 118.809 120.200 0.224 0.000 2.320 104 E HA 0.031 4.382 4.350 0.003 0.000 0.189 104 E C 1.032 177.724 176.600 0.153 0.000 1.100 104 E CA -0.144 56.370 56.400 0.191 0.000 1.009 104 E CB 0.012 29.877 29.700 0.275 0.000 1.145 104 E HN 0.636 nan 8.360 nan 0.000 0.454 105 C N -0.516 118.871 119.300 0.144 0.000 4.259 105 C HA 0.240 4.702 4.460 0.003 0.000 0.404 105 C C -0.206 174.823 174.990 0.066 0.000 1.673 105 C CA -0.255 58.832 59.018 0.115 0.000 2.002 105 C CB 0.331 28.187 27.740 0.193 0.000 3.094 105 C HN 0.039 nan 8.230 nan 0.000 0.681 106 V N 1.064 121.003 119.914 0.042 0.000 2.735 106 V HA 0.426 4.548 4.120 0.003 0.000 0.310 106 V C 0.351 176.439 176.094 -0.009 0.000 1.061 106 V CA -0.712 61.581 62.300 -0.012 0.000 0.913 106 V CB 1.213 32.985 31.823 -0.085 0.000 1.005 106 V HN 0.405 nan 8.190 nan 0.000 0.428 107 C N 4.270 123.565 119.300 -0.008 0.000 2.639 107 C HA 0.326 4.787 4.460 0.003 0.000 0.360 107 C C 1.598 176.583 174.990 -0.009 0.000 1.351 107 C CA 0.100 59.129 59.018 0.018 0.000 2.408 107 C CB 0.605 28.359 27.740 0.024 0.000 2.517 107 C HN 0.934 nan 8.230 nan 0.000 0.696 108 M N 0.723 120.331 119.600 0.014 0.000 2.718 108 M HA 0.168 4.650 4.480 0.003 0.000 0.259 108 M C 1.825 178.008 176.300 -0.196 0.000 1.240 108 M CA 1.511 56.754 55.300 -0.095 0.000 1.210 108 M CB -0.689 31.852 32.600 -0.097 0.000 1.281 108 M HN 0.703 nan 8.290 nan 0.000 0.515 109 H N -1.503 117.544 119.070 -0.037 0.000 2.539 109 H HA 0.188 4.745 4.556 0.003 0.000 0.267 109 H C 1.328 176.620 175.328 -0.060 0.000 0.982 109 H CA 1.036 57.050 56.048 -0.056 0.000 1.146 109 H CB 0.584 30.303 29.762 -0.072 0.000 1.382 109 H HN 0.561 nan 8.280 nan 0.000 0.577 110 C N -3.366 115.947 119.300 0.021 0.000 4.160 110 C HA 0.494 4.956 4.460 0.003 0.000 0.545 110 C C 1.357 176.326 174.990 -0.036 0.000 1.470 110 C CA 0.336 59.344 59.018 -0.015 0.000 2.412 110 C CB 0.160 27.896 27.740 -0.006 0.000 3.601 110 C HN 0.469 nan 8.230 nan 0.000 0.589 111 G N 2.141 110.916 108.800 -0.042 0.000 2.462 111 G HA2 -0.069 3.892 3.960 0.003 0.000 0.283 111 G HA3 -0.069 3.892 3.960 0.003 0.000 0.283 111 G C -0.637 174.225 174.900 -0.064 0.000 1.043 111 G CA 0.744 45.805 45.100 -0.064 0.000 1.300 111 G HN 1.045 nan 8.290 nan 0.000 0.518 112 K N 0.348 120.715 120.400 -0.055 0.000 2.533 112 K HA 0.632 4.954 4.320 0.003 0.000 0.272 112 K C 0.383 176.960 176.600 -0.037 0.000 0.985 112 K CA -1.218 55.037 56.287 -0.053 0.000 0.876 112 K CB 1.535 34.011 32.500 -0.040 0.000 1.452 112 K HN 0.209 nan 8.250 nan 0.000 0.439 113 L N 3.262 124.465 121.223 -0.033 0.000 2.483 113 L HA 0.013 4.355 4.340 0.003 0.000 0.275 113 L C 1.513 178.379 176.870 -0.008 0.000 1.220 113 L CA 0.084 54.918 54.840 -0.009 0.000 0.833 113 L CB 0.417 42.475 42.059 -0.002 0.000 1.102 113 L HN 0.652 nan 8.230 nan 0.000 0.490 114 L N 2.685 123.908 121.223 0.000 0.000 2.095 114 L HA 0.017 4.358 4.340 0.003 0.000 0.204 114 L C 0.314 177.175 176.870 -0.015 0.000 1.080 114 L CA 0.860 55.696 54.840 -0.006 0.000 0.759 114 L CB -0.293 41.763 42.059 -0.006 0.000 0.914 114 L HN 0.436 nan 8.230 nan 0.000 0.439 115 L N 0.176 121.391 121.223 -0.014 0.000 2.329 115 L HA 0.445 4.787 4.340 0.003 0.000 0.279 115 L C -1.024 175.834 176.870 -0.021 0.000 1.014 115 L CA -0.560 54.267 54.840 -0.022 0.000 0.814 115 L CB 1.832 43.878 42.059 -0.022 0.000 1.257 115 L HN -0.024 nan 8.230 nan 0.000 0.424 116 D N 1.089 121.467 120.400 -0.036 0.000 2.585 116 D HA 0.465 5.107 4.640 0.003 0.000 0.254 116 D C 0.093 176.359 176.300 -0.057 0.000 1.067 116 D CA -0.478 53.501 54.000 -0.034 0.000 1.090 116 D CB 1.818 42.594 40.800 -0.039 0.000 1.408 116 D HN 0.535 nan 8.370 nan 0.000 0.554 117 E N -0.461 119.714 120.200 -0.042 0.000 3.304 117 E HA -0.297 4.055 4.350 0.003 0.000 0.365 117 E C 1.310 177.915 176.600 0.008 0.000 1.512 117 E CA 1.973 58.348 56.400 -0.042 0.000 1.642 117 E CB -0.862 28.760 29.700 -0.130 0.000 1.738 117 E HN 0.787 nan 8.360 nan 0.000 0.483 118 H N 0.608 119.681 119.070 0.005 0.000 2.557 118 H HA 0.305 4.862 4.556 0.003 0.000 0.281 118 H C 0.508 175.838 175.328 0.003 0.000 0.990 118 H CA 0.742 56.793 56.048 0.005 0.000 1.278 118 H CB -0.106 29.659 29.762 0.006 0.000 1.451 118 H HN 0.529 nan 8.280 nan 0.000 0.516 119 N N 2.431 120.964 118.700 -0.277 0.000 2.677 119 N HA -0.184 4.558 4.740 0.003 0.000 0.249 119 N C -1.059 174.451 175.510 -0.000 0.000 1.073 119 N CA 0.702 53.669 53.050 -0.138 0.000 0.737 119 N CB -0.440 37.990 38.487 -0.094 0.000 0.999 119 N HN 0.485 nan 8.380 nan 0.000 0.543 120 E N -0.161 120.110 120.200 0.120 0.000 6.839 120 E HA -0.226 4.126 4.350 0.003 0.000 0.448 120 E C 1.078 177.711 176.600 0.056 0.000 0.321 120 E CA 1.333 57.802 56.400 0.114 0.000 0.792 120 E CB -0.128 29.625 29.700 0.088 0.000 0.879 120 E HN 0.508 nan 8.360 nan 0.000 0.364 121 L N -0.640 120.612 121.223 0.050 0.000 3.858 121 L HA -0.291 4.050 4.340 0.003 0.000 0.425 121 L C 0.542 177.428 176.870 0.026 0.000 1.177 121 L CA 2.386 57.244 54.840 0.030 0.000 0.943 121 L CB -2.147 39.922 42.059 0.016 0.000 1.861 121 L HN 0.776 nan 8.230 nan 0.000 0.985 122 M N 1.042 120.665 119.600 0.038 0.000 2.180 122 M HA 0.230 4.712 4.480 0.003 0.000 0.266 122 M C 1.717 178.045 176.300 0.047 0.000 1.200 122 M CA 1.495 56.814 55.300 0.031 0.000 1.101 122 M CB -0.002 32.607 32.600 0.016 0.000 1.769 122 M HN 0.348 nan 8.290 nan 0.000 0.609 123 R N 0.248 120.790 120.500 0.071 0.000 2.341 123 R HA 0.055 4.396 4.340 0.003 0.000 0.213 123 R C 1.418 177.750 176.300 0.054 0.000 1.082 123 R CA 1.463 57.609 56.100 0.076 0.000 1.017 123 R CB -1.315 29.052 30.300 0.112 0.000 0.860 123 R HN 0.577 nan 8.270 nan 0.000 0.473 124 Q N -0.172 119.655 119.800 0.046 0.000 2.354 124 Q HA 0.230 4.572 4.340 0.003 0.000 0.203 124 Q C 1.729 177.754 176.000 0.040 0.000 0.933 124 Q CA 0.931 56.757 55.803 0.038 0.000 0.901 124 Q CB 0.316 29.073 28.738 0.031 0.000 1.007 124 Q HN 0.531 nan 8.270 nan 0.000 0.495 125 A N 0.638 123.484 122.820 0.043 0.000 1.909 125 A HA 0.063 4.385 4.320 0.003 0.000 0.209 125 A C 1.776 179.396 177.584 0.060 0.000 1.247 125 A CA 0.136 52.204 52.037 0.051 0.000 0.660 125 A CB -0.425 18.603 19.000 0.047 0.000 0.910 125 A HN 0.223 nan 8.150 nan 0.000 0.465 126 L N -0.317 120.941 121.223 0.059 0.000 2.651 126 L HA -0.112 4.229 4.340 0.003 0.000 0.236 126 L C 1.975 178.882 176.870 0.062 0.000 1.173 126 L CA 0.735 55.614 54.840 0.064 0.000 0.843 126 L CB -0.224 41.870 42.059 0.057 0.000 0.964 126 L HN 0.511 nan 8.230 nan 0.000 0.454 127 A N -1.059 121.795 122.820 0.056 0.000 2.498 127 A HA 0.260 4.582 4.320 0.003 0.000 0.238 127 A C 0.644 178.257 177.584 0.048 0.000 1.225 127 A CA -0.383 51.684 52.037 0.050 0.000 0.978 127 A CB 0.420 19.445 19.000 0.043 0.000 1.142 127 A HN 0.195 nan 8.150 nan 0.000 0.552 128 I N 1.262 121.863 120.570 0.052 0.000 2.575 128 I HA 0.172 4.344 4.170 0.003 0.000 0.285 128 I C 0.217 176.366 176.117 0.053 0.000 1.085 128 I CA -0.371 60.959 61.300 0.049 0.000 1.403 128 I CB 0.825 38.855 38.000 0.050 0.000 1.409 128 I HN 0.161 nan 8.210 nan 0.000 0.557 129 K N 4.651 125.078 120.400 0.046 0.000 2.156 129 K HA 0.118 4.439 4.320 0.003 0.000 0.242 129 K C -0.874 175.754 176.600 0.047 0.000 1.033 129 K CA -0.092 56.221 56.287 0.044 0.000 0.878 129 K CB 0.147 32.668 32.500 0.036 0.000 1.057 129 K HN 0.664 nan 8.250 nan 0.000 0.505 130 D N 0.064 120.489 120.400 0.041 0.000 4.669 130 D HA -0.103 4.538 4.640 0.003 0.000 0.240 130 D C 0.134 176.464 176.300 0.049 0.000 1.111 130 D CA 0.404 54.426 54.000 0.037 0.000 1.179 130 D CB -1.086 39.736 40.800 0.036 0.000 0.750 130 D HN 0.413 nan 8.370 nan 0.000 0.360 131 S N 1.157 116.880 115.700 0.037 0.000 2.440 131 S HA -0.241 4.231 4.470 0.003 0.000 0.240 131 S C 1.756 176.386 174.600 0.050 0.000 1.014 131 S CA 1.314 59.540 58.200 0.043 0.000 0.980 131 S CB 0.157 63.357 63.200 0.001 0.000 0.775 131 S HN 0.475 nan 8.310 nan 0.000 0.499 132 K N 0.310 120.732 120.400 0.036 0.000 2.262 132 K HA 0.055 4.377 4.320 0.003 0.000 0.200 132 K C 1.451 178.117 176.600 0.111 0.000 1.049 132 K CA 0.767 57.081 56.287 0.044 0.000 0.979 132 K CB 0.114 32.616 32.500 0.004 0.000 0.773 132 K HN 0.067 nan 8.250 nan 0.000 0.474 133 K N -0.034 120.426 120.400 0.100 0.000 2.308 133 K HA 0.103 4.425 4.320 0.003 0.000 0.197 133 K C 1.814 178.489 176.600 0.125 0.000 1.049 133 K CA 0.183 56.533 56.287 0.106 0.000 0.991 133 K CB 0.134 32.678 32.500 0.073 0.000 0.836 133 K HN -0.006 nan 8.250 nan 0.000 0.500 134 R N -0.056 120.525 120.500 0.134 0.000 2.094 134 R HA -0.152 4.190 4.340 0.003 0.000 0.239 134 R C 1.927 178.342 176.300 0.191 0.000 1.137 134 R CA 1.843 58.029 56.100 0.144 0.000 0.943 134 R CB -0.389 29.999 30.300 0.147 0.000 0.850 134 R HN 0.197 nan 8.270 nan 0.000 0.433 135 F N 0.886 120.889 119.950 0.089 0.000 2.171 135 F HA -0.120 4.409 4.527 0.003 0.000 0.300 135 F C 2.049 177.935 175.800 0.144 0.000 1.090 135 F CA 1.374 59.444 58.000 0.116 0.000 1.293 135 F CB -0.345 38.700 39.000 0.077 0.000 1.013 135 F HN 0.113 nan 8.300 nan 0.000 0.486 136 A N -0.297 122.635 122.820 0.187 0.000 2.131 136 A HA 0.008 4.330 4.320 0.003 0.000 0.220 136 A C 2.189 179.835 177.584 0.104 0.000 1.158 136 A CA 1.709 53.823 52.037 0.129 0.000 0.665 136 A CB -1.169 17.912 19.000 0.134 0.000 0.795 136 A HN 0.498 nan 8.150 nan 0.000 0.460 137 A N -0.297 122.565 122.820 0.070 0.000 1.944 137 A HA 0.272 4.593 4.320 0.003 0.000 0.209 137 A C 1.882 179.473 177.584 0.012 0.000 1.328 137 A CA 0.650 52.716 52.037 0.049 0.000 0.693 137 A CB -0.546 18.480 19.000 0.044 0.000 0.994 137 A HN 0.327 nan 8.150 nan 0.000 0.485 138 I N -1.278 119.292 120.570 0.001 0.000 2.103 138 I HA -0.391 3.780 4.170 0.003 0.000 0.241 138 I C 2.438 178.530 176.117 -0.041 0.000 1.036 138 I CA 2.420 63.715 61.300 -0.010 0.000 1.300 138 I CB -0.505 37.517 38.000 0.037 0.000 1.010 138 I HN 0.758 nan 8.210 nan 0.000 0.406 139 W N 1.822 122.916 121.300 -0.344 0.000 2.318 139 W HA -0.275 4.386 4.660 0.003 0.000 0.313 139 W C 2.571 178.993 176.519 -0.163 0.000 1.221 139 W CA 2.416 59.573 57.345 -0.314 0.000 1.266 139 W CB -0.782 28.344 29.460 -0.556 0.000 1.150 139 W HN -0.033 nan 8.180 nan 0.000 0.496 140 T N 1.607 115.972 114.554 -0.316 0.000 2.897 140 T HA -0.175 4.177 4.350 0.003 0.000 0.271 140 T C 1.521 176.011 174.700 -0.350 0.000 1.084 140 T CA 1.605 63.404 62.100 -0.501 0.000 1.123 140 T CB -0.377 68.381 68.868 -0.183 0.000 0.865 140 T HN 0.185 nan 8.240 nan 0.000 0.496 141 L N -0.172 120.919 121.223 -0.220 0.000 2.628 141 L HA 0.219 4.560 4.340 0.003 0.000 0.229 141 L C 0.978 177.759 176.870 -0.149 0.000 1.137 141 L CA -0.040 54.711 54.840 -0.149 0.000 0.909 141 L CB 0.165 42.177 42.059 -0.078 0.000 1.137 141 L HN 0.332 nan 8.230 nan 0.000 0.470 142 C N -1.708 117.461 119.300 -0.219 0.000 3.911 142 C HA 0.041 4.503 4.460 0.003 0.000 0.318 142 C C 2.117 176.976 174.990 -0.218 0.000 1.643 142 C CA -0.617 58.304 59.018 -0.162 0.000 1.845 142 C CB -0.144 27.546 27.740 -0.083 0.000 2.981 142 C HN 0.479 nan 8.230 nan 0.000 0.656 143 K N 1.090 121.248 120.400 -0.404 0.000 2.459 143 K HA 0.056 4.378 4.320 0.003 0.000 0.193 143 K C 1.093 177.557 176.600 -0.227 0.000 1.030 143 K CA 1.239 57.289 56.287 -0.395 0.000 1.026 143 K CB -0.307 31.736 32.500 -0.760 0.000 0.809 143 K HN 0.317 nan 8.250 nan 0.000 0.504 144 T N 0.726 115.166 114.554 -0.190 0.000 3.021 144 T HA 0.060 4.412 4.350 0.003 0.000 0.245 144 T C 0.259 174.914 174.700 -0.074 0.000 1.028 144 T CA 0.056 62.086 62.100 -0.118 0.000 1.139 144 T CB 0.172 68.974 68.868 -0.110 0.000 0.884 144 T HN 0.049 nan 8.240 nan 0.000 0.457 145 K N 2.494 122.850 120.400 -0.072 0.000 2.319 145 K HA 0.140 4.461 4.320 0.003 0.000 0.277 145 K C 0.332 176.924 176.600 -0.014 0.000 1.111 145 K CA 0.365 56.629 56.287 -0.039 0.000 1.093 145 K CB 0.093 32.570 32.500 -0.038 0.000 0.910 145 K HN 0.423 nan 8.250 nan 0.000 0.452 146 M N 1.365 120.967 119.600 0.002 0.000 2.371 146 M HA -0.014 4.468 4.480 0.003 0.000 0.246 146 M C 0.506 176.841 176.300 0.058 0.000 1.103 146 M CA -0.057 55.263 55.300 0.033 0.000 1.010 146 M CB 0.633 33.252 32.600 0.031 0.000 1.457 146 M HN 0.242 nan 8.290 nan 0.000 0.486 147 V N -3.717 116.218 119.914 0.036 0.000 2.630 147 V HA 0.264 4.386 4.120 0.003 0.000 0.305 147 V C 0.752 176.862 176.094 0.028 0.000 1.046 147 V CA -1.104 61.217 62.300 0.035 0.000 0.934 147 V CB 1.583 33.415 31.823 0.016 0.000 1.003 147 V HN 0.372 nan 8.190 nan 0.000 0.451 148 C N 2.091 121.408 119.300 0.028 0.000 2.450 148 C HA 0.189 4.651 4.460 0.003 0.000 0.279 148 C C 0.960 175.951 174.990 0.002 0.000 1.335 148 C CA 1.077 60.108 59.018 0.021 0.000 1.749 148 C CB -1.916 25.839 27.740 0.024 0.000 1.963 148 C HN 1.140 nan 8.230 nan 0.000 0.501 149 E N -0.951 119.246 120.200 -0.005 0.000 7.681 149 E HA -0.160 4.191 4.350 0.003 0.000 0.461 149 E C 0.689 177.279 176.600 -0.018 0.000 0.454 149 E CA 0.434 56.826 56.400 -0.013 0.000 0.808 149 E CB -0.808 28.882 29.700 -0.016 0.000 0.972 149 E HN 0.679 nan 8.360 nan 0.000 0.263 150 T N -1.221 113.321 114.554 -0.021 0.000 2.990 150 T HA 0.061 4.413 4.350 0.003 0.000 0.237 150 T C 0.392 175.078 174.700 -0.023 0.000 1.009 150 T CA 1.049 63.135 62.100 -0.023 0.000 1.195 150 T CB 0.058 68.911 68.868 -0.024 0.000 0.885 150 T HN 0.553 nan 8.240 nan 0.000 0.424 151 D N 0.106 120.492 120.400 -0.023 0.000 2.732 151 D HA 0.617 5.259 4.640 0.003 0.000 0.229 151 D C -1.623 174.660 176.300 -0.028 0.000 1.152 151 D CA -0.996 52.989 54.000 -0.025 0.000 0.854 151 D CB 2.072 42.859 40.800 -0.022 0.000 1.590 151 D HN 0.262 nan 8.370 nan 0.000 0.468 152 V N 1.060 120.954 119.914 -0.034 0.000 2.577 152 V HA 0.480 4.602 4.120 0.003 0.000 0.303 152 V C -2.602 173.467 176.094 -0.042 0.000 1.042 152 V CA -2.000 60.275 62.300 -0.041 0.000 0.872 152 V CB 1.869 33.658 31.823 -0.056 0.000 0.998 152 V HN 0.489 nan 8.190 nan 0.000 0.423 153 P HA -0.027 nan 4.420 nan 0.000 0.263 153 P C 0.949 178.234 177.300 -0.025 0.000 1.162 153 P CA 0.679 63.766 63.100 -0.022 0.000 0.758 153 P CB 0.408 32.099 31.700 -0.015 0.000 0.773 154 S N 0.703 116.397 115.700 -0.011 0.000 2.559 154 S HA -0.128 4.344 4.470 0.003 0.000 0.250 154 S C 0.542 175.156 174.600 0.024 0.000 0.977 154 S CA 0.750 58.951 58.200 0.001 0.000 0.958 154 S CB -0.630 62.575 63.200 0.009 0.000 0.751 154 S HN 0.602 nan 8.310 nan 0.000 0.534 161 L N 0.619 121.840 121.223 -0.004 0.000 3.976 161 L HA 0.433 4.774 4.340 0.003 0.000 0.253 161 L C -1.347 175.518 176.870 -0.009 0.000 1.011 161 L CA -0.365 54.471 54.840 -0.008 0.000 1.069 161 L CB 1.071 43.124 42.059 -0.009 0.000 1.791 161 L HN 0.809 nan 8.230 nan 0.000 0.481 162 V N 1.461 121.368 119.914 -0.012 0.000 3.285 162 V HA 0.872 4.993 4.120 0.003 0.000 0.302 162 V C 0.325 176.409 176.094 -0.016 0.000 1.247 162 V CA 0.564 62.857 62.300 -0.012 0.000 1.035 162 V CB 1.444 33.261 31.823 -0.010 0.000 1.223 162 V HN 0.952 nan 8.190 nan 0.000 0.475 163 S N -1.771 113.919 115.700 -0.016 0.000 4.198 163 S HA 0.350 4.821 4.470 0.003 0.000 0.202 163 S C 0.829 175.418 174.600 -0.019 0.000 1.124 163 S CA 0.738 58.927 58.200 -0.019 0.000 1.050 163 S CB -0.170 63.020 63.200 -0.018 0.000 1.401 163 S HN 1.086 nan 8.310 nan 0.000 0.589 164 R N 0.694 121.184 120.500 -0.016 0.000 3.952 164 R HA -0.110 4.232 4.340 0.003 0.000 0.406 164 R C 0.495 176.785 176.300 -0.017 0.000 0.241 164 R CA 1.551 57.642 56.100 -0.015 0.000 1.300 164 R CB -1.929 28.362 30.300 -0.015 0.000 1.045 164 R HN 0.754 nan 8.270 nan 0.000 0.542 165 G N -0.195 108.594 108.800 -0.018 0.000 2.441 165 G HA2 0.477 4.439 3.960 0.003 0.000 0.243 165 G HA3 0.477 4.439 3.960 0.003 0.000 0.243 165 G C 0.071 174.959 174.900 -0.020 0.000 1.281 165 G CA 0.475 45.564 45.100 -0.019 0.000 0.854 165 G HN 0.860 nan 8.290 nan 0.000 0.560 166 G N -0.713 108.075 108.800 -0.020 0.000 2.547 166 G HA2 0.406 4.367 3.960 0.003 0.000 0.291 166 G HA3 0.406 4.367 3.960 0.003 0.000 0.291 166 G C -0.429 174.459 174.900 -0.020 0.000 1.471 166 G CA 0.279 45.368 45.100 -0.019 0.000 0.798 166 G HN 0.779 nan 8.290 nan 0.000 0.504 167 C N -1.453 117.836 119.300 -0.018 0.000 2.662 167 C HA 0.781 5.243 4.460 0.003 0.000 0.307 167 C C 2.180 177.143 174.990 -0.046 0.000 1.796 167 C CA 1.687 60.691 59.018 -0.022 0.000 2.153 167 C CB 0.073 27.816 27.740 0.006 0.000 1.725 167 C HN 2.092 nan 8.230 nan 0.000 0.733 168 G N 0.590 109.365 108.800 -0.042 0.000 2.909 168 G HA2 -0.138 3.823 3.960 0.003 0.000 0.198 168 G HA3 -0.138 3.823 3.960 0.003 0.000 0.198 168 G C 0.130 174.992 174.900 -0.064 0.000 1.124 168 G CA 0.372 45.438 45.100 -0.055 0.000 0.796 168 G HN 0.551 nan 8.290 nan 0.000 0.489 169 N N 1.645 120.285 118.700 -0.100 0.000 2.207 169 N HA 0.442 5.184 4.740 0.003 0.000 0.223 169 N C 0.867 176.360 175.510 -0.029 0.000 1.339 169 N CA 1.368 54.347 53.050 -0.118 0.000 0.889 169 N CB 0.397 38.746 38.487 -0.230 0.000 1.128 169 N HN 0.738 nan 8.380 nan 0.000 0.456 170 T N -1.872 112.676 114.554 -0.010 0.000 2.945 170 T HA 0.329 4.680 4.350 0.003 0.000 0.286 170 T C -0.355 174.491 174.700 0.243 0.000 1.025 170 T CA -0.865 61.293 62.100 0.096 0.000 1.039 170 T CB 1.247 70.185 68.868 0.117 0.000 1.068 170 T HN 0.470 nan 8.240 nan 0.000 0.497 171 Q N 1.536 121.497 119.800 0.268 0.000 2.241 171 Q HA 0.441 4.783 4.340 0.003 0.000 0.254 171 Q C -2.476 173.707 176.000 0.306 0.000 0.917 171 Q CA -2.514 53.480 55.803 0.319 0.000 0.919 171 Q CB 1.349 30.180 28.738 0.156 0.000 1.237 171 Q HN 0.452 nan 8.270 nan 0.000 0.434 172 P HA 0.090 nan 4.420 nan 0.000 0.276 172 P C -0.974 176.200 177.300 -0.209 0.000 1.244 172 P CA -0.330 62.508 63.100 -0.437 0.000 0.801 172 P CB 0.758 31.733 31.700 -1.209 0.000 1.006 173 T N 2.550 116.973 114.554 -0.218 0.000 2.863 173 T HA 0.318 4.669 4.350 0.003 0.000 0.299 173 T C 0.645 175.270 174.700 -0.124 0.000 0.973 173 T CA -0.035 61.996 62.100 -0.116 0.000 0.994 173 T CB -0.972 67.848 68.868 -0.080 0.000 0.961 173 T HN 0.208 nan 8.240 nan 0.000 0.552 174 I N 3.436 123.962 120.570 -0.073 0.000 2.474 174 I HA 0.436 4.607 4.170 0.003 0.000 0.287 174 I C 0.723 176.833 176.117 -0.011 0.000 1.048 174 I CA -0.347 60.923 61.300 -0.050 0.000 1.383 174 I CB 0.777 38.776 38.000 -0.002 0.000 1.412 174 I HN 0.328 nan 8.210 nan 0.000 0.531 175 R N 5.225 125.710 120.500 -0.024 0.000 2.668 175 R HA 0.316 4.658 4.340 0.003 0.000 0.272 175 R C -1.129 175.158 176.300 -0.021 0.000 1.019 175 R CA -0.929 55.165 56.100 -0.011 0.000 0.894 175 R CB 1.981 32.271 30.300 -0.018 0.000 1.228 175 R HN 0.522 nan 8.270 nan 0.000 0.460 176 K N 2.038 122.430 120.400 -0.014 0.000 2.322 176 K HA 0.045 4.366 4.320 0.003 0.000 0.283 176 K C -1.247 175.334 176.600 -0.031 0.000 1.042 176 K CA 0.191 56.460 56.287 -0.030 0.000 0.958 176 K CB 0.640 33.129 32.500 -0.019 0.000 0.984 176 K HN 0.472 nan 8.250 nan 0.000 0.473 177 D N 3.446 123.819 120.400 -0.045 0.000 2.364 177 D HA 0.293 4.935 4.640 0.003 0.000 0.251 177 D C 0.417 176.695 176.300 -0.037 0.000 1.282 177 D CA 0.745 54.725 54.000 -0.033 0.000 0.927 177 D CB 0.634 41.419 40.800 -0.026 0.000 1.267 177 D HN 0.778 nan 8.370 nan 0.000 0.531 178 G N 2.553 111.337 108.800 -0.027 0.000 3.181 178 G HA2 -0.341 3.621 3.960 0.003 0.000 0.322 178 G HA3 -0.341 3.621 3.960 0.003 0.000 0.322 178 G C 0.813 175.698 174.900 -0.025 0.000 1.246 178 G CA 0.647 45.739 45.100 -0.014 0.000 0.989 178 G HN 0.507 nan 8.290 nan 0.000 0.607 179 L N 0.222 121.431 121.223 -0.023 0.000 2.672 179 L HA 0.384 4.726 4.340 0.003 0.000 0.236 179 L C 0.940 177.715 176.870 -0.159 0.000 1.092 179 L CA 0.177 54.993 54.840 -0.040 0.000 0.887 179 L CB 0.326 42.426 42.059 0.068 0.000 1.168 179 L HN 0.179 nan 8.230 nan 0.000 0.502 180 K N 0.721 121.053 120.400 -0.112 0.000 2.139 180 K HA 0.675 4.996 4.320 0.003 0.000 0.243 180 K C -0.822 175.676 176.600 -0.169 0.000 0.983 180 K CA -0.182 56.022 56.287 -0.138 0.000 0.890 180 K CB 1.710 34.214 32.500 0.007 0.000 1.090 180 K HN -0.108 nan 8.250 nan 0.000 0.445 181 L N 1.141 122.277 121.223 -0.146 0.000 2.362 181 L HA 0.531 4.872 4.340 0.003 0.000 0.275 181 L C -0.997 175.848 176.870 -0.042 0.000 0.998 181 L CA -1.290 53.494 54.840 -0.093 0.000 0.820 181 L CB 1.924 43.924 42.059 -0.099 0.000 1.270 181 L HN 0.229 nan 8.230 nan 0.000 0.415 182 V N 1.469 121.351 119.914 -0.053 0.000 2.483 182 V HA 0.759 4.880 4.120 0.003 0.000 0.295 182 V C 0.441 176.457 176.094 -0.129 0.000 1.035 182 V CA -0.430 61.826 62.300 -0.073 0.000 0.896 182 V CB 1.649 33.438 31.823 -0.058 0.000 0.986 182 V HN 0.885 nan 8.190 nan 0.000 0.447 183 G N 1.616 110.278 108.800 -0.230 0.000 2.519 183 G HA2 0.602 4.564 3.960 0.003 0.000 0.307 183 G HA3 0.602 4.564 3.960 0.003 0.000 0.307 183 G C -1.070 173.492 174.900 -0.563 0.000 1.266 183 G CA -0.560 44.293 45.100 -0.412 0.000 0.970 183 G HN 0.688 nan 8.290 nan 0.000 0.481 184 S N 0.633 116.006 115.700 -0.545 0.000 2.776 184 S HA 0.523 4.995 4.470 0.003 0.000 0.284 184 S C -0.324 174.088 174.600 -0.314 0.000 1.160 184 S CA -0.827 57.140 58.200 -0.388 0.000 1.051 184 S CB 0.386 63.490 63.200 -0.159 0.000 1.037 184 S HN 0.516 nan 8.310 nan 0.000 0.485 185 W N 3.174 124.492 121.300 0.030 0.000 1.779 185 W HA 0.588 5.250 4.660 0.003 0.000 0.531 185 W C 0.239 176.770 176.519 0.019 0.000 2.111 185 W CA -0.639 56.722 57.345 0.027 0.000 2.396 185 W CB 0.101 29.582 29.460 0.034 0.000 1.997 185 W HN 0.424 nan 8.180 nan 0.000 0.791 186 K N 0.938 121.519 120.400 0.300 0.000 2.212 186 K HA -0.026 4.296 4.320 0.003 0.000 0.388 186 K C -0.610 176.054 176.600 0.107 0.000 1.624 186 K CA -0.196 56.184 56.287 0.155 0.000 1.232 186 K CB 0.472 33.034 32.500 0.103 0.000 1.420 186 K HN 0.542 nan 8.250 nan 0.000 0.461 187 K N -0.419 120.025 120.400 0.074 0.000 1.841 187 K HA 0.388 4.710 4.320 0.003 0.000 0.259 187 K C -0.140 176.472 176.600 0.021 0.000 0.999 187 K CA -0.707 55.602 56.287 0.037 0.000 1.053 187 K CB -0.017 32.489 32.500 0.011 0.000 2.249 187 K HN 0.195 nan 8.250 nan 0.000 0.894 188 D N 0.681 121.084 120.400 0.004 0.000 2.662 188 D HA -0.084 4.557 4.640 0.003 0.000 0.233 188 D C -0.408 175.895 176.300 0.005 0.000 1.129 188 D CA 0.788 54.788 54.000 0.000 0.000 0.851 188 D CB 0.369 41.163 40.800 -0.010 0.000 1.152 188 D HN 0.550 nan 8.370 nan 0.000 0.507 189 R N 2.108 122.613 120.500 0.008 0.000 2.464 189 R HA 0.189 4.530 4.340 0.003 0.000 0.282 189 R C -0.280 176.025 176.300 0.009 0.000 0.670 189 R CA -0.543 55.563 56.100 0.010 0.000 0.910 189 R CB 0.027 30.338 30.300 0.019 0.000 1.533 189 R HN 0.323 nan 8.270 nan 0.000 0.536 190 A N 1.322 124.145 122.820 0.005 0.000 2.492 190 A HA 0.518 4.840 4.320 0.003 0.000 0.254 190 A C 0.760 178.346 177.584 0.003 0.000 1.091 190 A CA 1.083 53.123 52.037 0.004 0.000 0.768 190 A CB 0.110 19.112 19.000 0.002 0.000 1.028 190 A HN 0.462 nan 8.150 nan 0.000 0.498 191 T N 0.442 114.999 114.554 0.004 0.000 2.964 191 T HA 0.010 4.361 4.350 0.003 0.000 0.138 191 T C 1.735 176.438 174.700 0.004 0.000 1.019 191 T CA 0.324 62.426 62.100 0.003 0.000 0.732 191 T CB -0.922 67.948 68.868 0.003 0.000 1.723 191 T HN 1.324 nan 8.240 nan 0.000 0.265 192 G N 2.429 111.232 108.800 0.005 0.000 2.450 192 G HA2 0.130 4.092 3.960 0.003 0.000 0.220 192 G HA3 0.130 4.092 3.960 0.003 0.000 0.220 192 G C 0.616 175.520 174.900 0.006 0.000 1.130 192 G CA 2.566 47.669 45.100 0.006 0.000 0.760 192 G HN 1.650 nan 8.290 nan 0.000 0.557 193 D N -5.078 115.327 120.400 0.007 0.000 4.432 193 D HA 0.273 4.915 4.640 0.003 0.000 0.097 193 D C 0.640 176.946 176.300 0.010 0.000 0.397 193 D CA 1.426 55.430 54.000 0.008 0.000 0.575 193 D CB -1.058 39.747 40.800 0.007 0.000 1.639 193 D HN 1.527 nan 8.370 nan 0.000 0.031 194 A N -0.056 122.771 122.820 0.012 0.000 4.356 194 A HA 0.300 4.621 4.320 0.003 0.000 0.226 194 A C -0.291 177.304 177.584 0.018 0.000 2.214 194 A CA 1.366 53.413 52.037 0.016 0.000 0.847 194 A CB -1.911 17.099 19.000 0.017 0.000 0.820 194 A HN 1.312 nan 8.150 nan 0.000 0.316 195 D N -0.775 119.637 120.400 0.020 0.000 4.488 195 D HA 0.103 4.744 4.640 0.003 0.000 0.303 195 D C 0.086 176.403 176.300 0.027 0.000 2.374 195 D CA 1.606 55.619 54.000 0.021 0.000 1.117 195 D CB -0.895 39.915 40.800 0.017 0.000 1.102 195 D HN 1.887 nan 8.370 nan 0.000 1.284 196 E N -2.147 118.070 120.200 0.028 0.000 2.222 196 E HA -0.169 4.183 4.350 0.003 0.000 0.189 196 E C -2.501 174.128 176.600 0.049 0.000 1.415 196 E CA 0.498 56.919 56.400 0.034 0.000 0.689 196 E CB -1.039 28.678 29.700 0.028 0.000 1.107 196 E HN 0.208 nan 8.360 nan 0.000 0.350 197 P HA 0.238 nan 4.420 nan 0.000 0.287 197 P C -0.923 176.437 177.300 0.098 0.000 1.292 197 P CA -0.732 62.413 63.100 0.075 0.000 0.879 197 P CB 0.996 32.730 31.700 0.057 0.000 1.214 198 E N 1.035 121.322 120.200 0.146 0.000 2.207 198 E HA 0.568 4.919 4.350 0.003 0.000 0.270 198 E C -1.132 175.537 176.600 0.116 0.000 0.927 198 E CA -0.792 55.724 56.400 0.192 0.000 0.799 198 E CB 0.836 30.770 29.700 0.389 0.000 1.172 198 E HN 0.226 nan 8.360 nan 0.000 0.404 199 L N 1.425 122.700 121.223 0.088 0.000 2.457 199 L HA 0.359 4.701 4.340 0.003 0.000 0.259 199 L C -0.106 176.776 176.870 0.020 0.000 1.377 199 L CA -0.337 54.504 54.840 0.002 0.000 0.887 199 L CB 1.032 43.090 42.059 -0.002 0.000 1.085 199 L HN 0.365 nan 8.230 nan 0.000 0.509 200 R N 1.161 121.660 120.500 -0.002 0.000 2.357 200 R HA 0.567 4.908 4.340 0.003 0.000 0.296 200 R C -0.800 175.500 176.300 -0.001 0.000 1.052 200 R CA -0.498 55.646 56.100 0.074 0.000 0.988 200 R CB 1.567 32.035 30.300 0.279 0.000 1.025 200 R HN 0.167 nan 8.270 nan 0.000 0.469 201 V N 6.527 126.472 119.914 0.052 0.000 2.368 201 V HA 0.154 4.276 4.120 0.003 0.000 0.266 201 V C 0.133 176.277 176.094 0.083 0.000 1.045 201 V CA -0.644 61.684 62.300 0.046 0.000 0.899 201 V CB 0.939 32.796 31.823 0.057 0.000 1.006 201 V HN 0.634 nan 8.190 nan 0.000 0.470 202 L N 4.973 126.243 121.223 0.078 0.000 2.500 202 L HA 0.161 4.503 4.340 0.003 0.000 0.272 202 L C 1.025 178.011 176.870 0.195 0.000 1.149 202 L CA 1.186 56.107 54.840 0.135 0.000 0.897 202 L CB 0.722 42.858 42.059 0.128 0.000 1.178 202 L HN 0.770 nan 8.230 nan 0.000 0.473 203 S N 1.758 117.566 115.700 0.179 0.000 2.562 203 S HA 0.225 4.696 4.470 0.003 0.000 0.256 203 S C 1.219 175.949 174.600 0.217 0.000 1.248 203 S CA 0.284 58.591 58.200 0.179 0.000 0.988 203 S CB 0.646 63.912 63.200 0.110 0.000 1.035 203 S HN 0.756 nan 8.310 nan 0.000 0.548 204 T N 0.604 115.210 114.554 0.086 0.000 3.026 204 T HA 0.145 4.497 4.350 0.003 0.000 0.245 204 T C 1.608 176.276 174.700 -0.054 0.000 1.004 204 T CA 0.440 62.477 62.100 -0.105 0.000 1.069 204 T CB -0.377 68.284 68.868 -0.344 0.000 1.005 204 T HN 0.600 nan 8.240 nan 0.000 0.472 205 E N 2.199 122.393 120.200 -0.010 0.000 2.204 205 E HA -0.090 4.261 4.350 0.003 0.000 0.195 205 E C 1.511 178.139 176.600 0.046 0.000 0.990 205 E CA 1.036 57.444 56.400 0.015 0.000 0.821 205 E CB -0.031 29.678 29.700 0.014 0.000 0.750 205 E HN 0.505 nan 8.360 nan 0.000 0.477 206 E N -0.720 119.516 120.200 0.061 0.000 2.349 206 E HA 0.164 4.516 4.350 0.003 0.000 0.201 206 E C 0.627 177.285 176.600 0.098 0.000 1.087 206 E CA -0.129 56.312 56.400 0.068 0.000 1.128 206 E CB 0.119 29.856 29.700 0.063 0.000 1.188 206 E HN 0.354 nan 8.360 nan 0.000 0.445 207 I N -0.263 120.386 120.570 0.132 0.000 3.878 207 I HA -0.071 4.101 4.170 0.003 0.000 0.273 207 I C 1.818 178.136 176.117 0.335 0.000 1.165 207 I CA 0.034 61.470 61.300 0.226 0.000 1.360 207 I CB -0.120 38.081 38.000 0.335 0.000 1.539 207 I HN 0.202 nan 8.210 nan 0.000 0.447 208 L N 1.352 122.729 121.223 0.257 0.000 2.131 208 L HA -0.139 4.202 4.340 0.003 0.000 0.210 208 L C 1.836 178.836 176.870 0.217 0.000 1.092 208 L CA 2.294 57.290 54.840 0.259 0.000 0.759 208 L CB -2.092 40.028 42.059 0.101 0.000 0.903 208 L HN 0.346 nan 8.230 nan 0.000 0.435 209 N N 0.783 119.573 118.700 0.151 0.000 2.166 209 N HA -0.189 4.553 4.740 0.003 0.000 0.186 209 N C 1.824 177.417 175.510 0.138 0.000 1.019 209 N CA 1.955 55.088 53.050 0.139 0.000 0.856 209 N CB -0.340 38.207 38.487 0.100 0.000 0.993 209 N HN 0.537 nan 8.380 nan 0.000 0.426 210 I N -0.746 119.866 120.570 0.071 0.000 2.142 210 I HA -0.239 3.932 4.170 0.003 0.000 0.240 210 I C 1.471 177.541 176.117 -0.079 0.000 1.078 210 I CA 1.040 62.308 61.300 -0.054 0.000 1.343 210 I CB -0.382 37.505 38.000 -0.188 0.000 1.046 210 I HN 0.071 nan 8.210 nan 0.000 0.405 211 F N 1.091 121.063 119.950 0.037 0.000 2.161 211 F HA -0.227 4.301 4.527 0.003 0.000 0.300 211 F C 2.517 178.312 175.800 -0.009 0.000 1.089 211 F CA 1.490 59.493 58.000 0.005 0.000 1.282 211 F CB -0.551 38.443 39.000 -0.010 0.000 1.010 211 F HN -0.069 nan 8.300 nan 0.000 0.485 212 K N -0.809 119.692 120.400 0.167 0.000 2.147 212 K HA -0.142 4.180 4.320 0.003 0.000 0.205 212 K C 0.813 177.345 176.600 -0.113 0.000 1.049 212 K CA 1.149 57.454 56.287 0.029 0.000 0.936 212 K CB -0.131 32.382 32.500 0.021 0.000 0.722 212 K HN 0.298 nan 8.250 nan 0.000 0.446 213 H N 0.191 119.267 119.070 0.010 0.000 2.539 213 H HA 0.125 4.683 4.556 0.003 0.000 0.293 213 H C -0.588 174.689 175.328 -0.084 0.000 1.156 213 H CA -0.237 55.794 56.048 -0.029 0.000 1.012 213 H CB 0.221 29.966 29.762 -0.028 0.000 1.600 213 H HN 0.020 nan 8.280 nan 0.000 0.538 214 I N 1.483 122.014 120.570 -0.065 0.000 2.325 214 I HA 0.003 4.174 4.170 0.003 0.000 0.291 214 I C 1.169 177.045 176.117 -0.402 0.000 1.019 214 I CA -0.088 61.080 61.300 -0.221 0.000 1.302 214 I CB 1.188 39.022 38.000 -0.276 0.000 1.401 214 I HN 0.112 nan 8.210 nan 0.000 0.485 215 S N 4.258 119.771 115.700 -0.311 0.000 2.561 215 S HA 0.044 4.516 4.470 0.003 0.000 0.294 215 S C 1.549 175.865 174.600 -0.472 0.000 1.294 215 S CA -0.535 57.497 58.200 -0.281 0.000 1.055 215 S CB 0.732 63.832 63.200 -0.166 0.000 0.819 215 S HN 0.383 nan 8.310 nan 0.000 0.503 216 V N 5.591 125.341 119.914 -0.273 0.000 2.490 216 V HA -0.136 3.986 4.120 0.003 0.000 0.250 216 V C 2.198 178.235 176.094 -0.095 0.000 1.061 216 V CA 1.695 63.898 62.300 -0.161 0.000 1.064 216 V CB -0.701 31.139 31.823 0.028 0.000 0.670 216 V HN 0.789 nan 8.190 nan 0.000 0.461 217 K N 0.044 120.388 120.400 -0.094 0.000 2.288 217 K HA -0.090 4.232 4.320 0.003 0.000 0.201 217 K C 1.548 178.110 176.600 -0.063 0.000 1.048 217 K CA 1.070 57.339 56.287 -0.030 0.000 0.956 217 K CB -0.168 32.324 32.500 -0.014 0.000 0.746 217 K HN 0.415 nan 8.250 nan 0.000 0.461 218 D N 0.002 120.277 120.400 -0.208 0.000 2.378 218 D HA -0.072 4.569 4.640 0.003 0.000 0.227 218 D C 1.057 177.259 176.300 -0.164 0.000 1.012 218 D CA 0.774 54.655 54.000 -0.198 0.000 0.905 218 D CB -0.013 40.629 40.800 -0.262 0.000 0.895 218 D HN 0.171 nan 8.370 nan 0.000 0.532 219 F N 0.721 120.678 119.950 0.011 0.000 2.092 219 F HA -0.100 4.428 4.527 0.003 0.000 0.286 219 F C 2.605 178.495 175.800 0.151 0.000 1.116 219 F CA 0.752 58.768 58.000 0.027 0.000 1.185 219 F CB -0.783 38.196 39.000 -0.035 0.000 1.034 219 F HN -0.140 nan 8.300 nan 0.000 0.479 220 T N 0.311 115.068 114.554 0.338 0.000 2.649 220 T HA -0.305 4.046 4.350 0.003 0.000 0.268 220 T C 2.110 176.934 174.700 0.207 0.000 1.036 220 T CA 1.930 64.170 62.100 0.233 0.000 1.157 220 T CB -0.928 68.036 68.868 0.161 0.000 0.861 220 T HN 0.398 nan 8.240 nan 0.000 0.445 221 S N 3.199 119.009 115.700 0.183 0.000 2.369 221 S HA -0.172 4.299 4.470 0.003 0.000 0.225 221 S C 1.665 176.410 174.600 0.240 0.000 1.043 221 S CA 1.651 59.953 58.200 0.171 0.000 1.074 221 S CB -0.902 62.375 63.200 0.128 0.000 0.962 221 S HN 0.541 nan 8.310 nan 0.000 0.433 222 L N 0.082 121.503 121.223 0.329 0.000 2.737 222 L HA 0.674 5.016 4.340 0.003 0.000 0.236 222 L C 0.954 178.073 176.870 0.415 0.000 1.219 222 L CA -0.056 55.082 54.840 0.496 0.000 1.021 222 L CB -1.086 41.343 42.059 0.617 0.000 1.291 222 L HN 0.504 nan 8.230 nan 0.000 0.470 223 G N -1.113 107.847 108.800 0.267 0.000 2.546 223 G HA2 -0.251 3.710 3.960 0.003 0.000 0.285 223 G HA3 -0.251 3.710 3.960 0.003 0.000 0.285 223 G C -0.381 174.451 174.900 -0.113 0.000 1.105 223 G CA 0.017 45.151 45.100 0.057 0.000 1.189 223 G HN 0.276 nan 8.290 nan 0.000 0.534 224 F N -0.094 119.866 119.950 0.016 0.000 3.231 224 F HA 0.723 5.252 4.527 0.003 0.000 0.338 224 F C 0.617 176.393 175.800 -0.041 0.000 1.331 224 F CA -0.502 57.470 58.000 -0.046 0.000 1.035 224 F CB 1.315 40.290 39.000 -0.042 0.000 1.578 224 F HN 0.323 nan 8.300 nan 0.000 0.500 225 N N -0.850 117.965 118.700 0.191 0.000 3.621 225 N HA 0.197 4.939 4.740 0.003 0.000 0.345 225 N C -0.361 175.097 175.510 -0.087 0.000 1.646 225 N CA -0.140 52.961 53.050 0.084 0.000 0.731 225 N CB 1.844 40.408 38.487 0.128 0.000 2.435 225 N HN 0.615 nan 8.380 nan 0.000 0.613 226 E N -0.248 119.923 120.200 -0.048 0.000 3.635 226 E HA 0.084 4.435 4.350 0.003 0.000 0.183 226 E C 1.498 177.999 176.600 -0.164 0.000 1.263 226 E CA 0.658 56.963 56.400 -0.158 0.000 1.427 226 E CB -0.163 29.528 29.700 -0.015 0.000 1.724 226 E HN 0.331 nan 8.360 nan 0.000 0.520 227 V N 0.019 119.886 119.914 -0.079 0.000 3.217 227 V HA 0.072 4.194 4.120 0.003 0.000 0.264 227 V C 1.783 177.717 176.094 -0.265 0.000 1.135 227 V CA 1.029 63.216 62.300 -0.188 0.000 1.142 227 V CB -0.766 30.855 31.823 -0.337 0.000 0.754 227 V HN 0.086 nan 8.190 nan 0.000 0.484 228 F N 0.399 120.389 119.950 0.066 0.000 2.484 228 F HA 0.398 4.926 4.527 0.003 0.000 0.268 228 F C 1.426 177.302 175.800 0.128 0.000 0.965 228 F CA 0.405 58.460 58.000 0.092 0.000 1.119 228 F CB -0.451 38.563 39.000 0.024 0.000 1.153 228 F HN -0.108 nan 8.300 nan 0.000 0.689 229 S N 1.114 116.944 115.700 0.217 0.000 2.433 229 S HA 0.574 5.045 4.470 0.003 0.000 0.310 229 S C -0.579 173.944 174.600 -0.130 0.000 1.097 229 S CA -0.583 57.670 58.200 0.087 0.000 1.103 229 S CB 1.285 64.520 63.200 0.059 0.000 0.992 229 S HN 0.186 nan 8.310 nan 0.000 0.469 230 R N 3.420 123.650 120.500 -0.450 0.000 2.574 230 R HA 0.367 4.708 4.340 0.003 0.000 0.288 230 R C -2.565 173.281 176.300 -0.757 0.000 1.004 230 R CA -2.090 53.410 56.100 -1.000 0.000 0.895 230 R CB 1.403 30.720 30.300 -1.639 0.000 1.191 230 R HN 0.256 nan 8.270 nan 0.000 0.444 231 P HA -0.174 nan 4.420 nan 0.000 0.221 231 P C 0.479 177.471 177.300 -0.512 0.000 1.145 231 P CA 0.982 63.725 63.100 -0.595 0.000 0.795 231 P CB 0.225 31.548 31.700 -0.628 0.000 0.775 232 E N -1.570 118.405 120.200 -0.375 0.000 2.427 232 E HA -0.135 4.216 4.350 0.003 0.000 0.196 232 E C 0.830 177.471 176.600 0.067 0.000 1.028 232 E CA 0.780 57.093 56.400 -0.145 0.000 0.864 232 E CB -0.795 28.888 29.700 -0.029 0.000 0.813 232 E HN 0.346 nan 8.360 nan 0.000 0.514 233 W N 0.511 121.714 121.300 -0.162 0.000 3.211 233 W HA 0.354 5.016 4.660 0.003 0.000 0.292 233 W C 1.829 178.251 176.519 -0.163 0.000 1.268 233 W CA -0.642 56.632 57.345 -0.118 0.000 1.702 233 W CB -0.572 28.831 29.460 -0.095 0.000 1.092 233 W HN 0.064 nan 8.180 nan 0.000 0.643 234 M N 1.073 120.613 119.600 -0.100 0.000 2.557 234 M HA -0.006 4.475 4.480 0.003 0.000 0.259 234 M C 0.002 176.240 176.300 -0.104 0.000 1.086 234 M CA 1.075 56.188 55.300 -0.311 0.000 1.096 234 M CB -0.007 32.300 32.600 -0.488 0.000 1.424 234 M HN -0.183 nan 8.290 nan 0.000 0.488 235 I N -1.295 119.254 120.570 -0.034 0.000 2.603 235 I HA 0.448 4.620 4.170 0.003 0.000 0.300 235 I C -1.273 174.882 176.117 0.063 0.000 1.017 235 I CA -1.071 60.246 61.300 0.028 0.000 1.098 235 I CB 1.248 39.194 38.000 -0.090 0.000 1.279 235 I HN -0.120 nan 8.210 nan 0.000 0.437 236 L N 4.406 125.677 121.223 0.080 0.000 2.282 236 L HA 0.544 4.885 4.340 0.003 0.000 0.288 236 L C 0.496 177.398 176.870 0.053 0.000 1.033 236 L CA -0.220 54.680 54.840 0.101 0.000 0.807 236 L CB 1.422 43.577 42.059 0.159 0.000 1.209 236 L HN 0.851 nan 8.230 nan 0.000 0.423 237 T N -0.954 113.629 114.554 0.049 0.000 3.018 237 T HA 0.100 4.452 4.350 0.003 0.000 0.246 237 T C 0.235 174.955 174.700 0.033 0.000 1.026 237 T CA 0.038 62.156 62.100 0.030 0.000 1.081 237 T CB 0.266 69.148 68.868 0.023 0.000 0.970 237 T HN 0.749 nan 8.240 nan 0.000 0.475 238 C N 1.238 120.559 119.300 0.036 0.000 2.871 238 C HA 0.732 5.193 4.460 0.003 0.000 0.378 238 C C -0.865 174.153 174.990 0.046 0.000 1.052 238 C CA -1.666 57.380 59.018 0.046 0.000 1.250 238 C CB 0.251 28.022 27.740 0.052 0.000 1.689 238 C HN 0.265 nan 8.230 nan 0.000 0.506 239 L N 3.895 125.154 121.223 0.059 0.000 2.326 239 L HA 0.605 4.946 4.340 0.003 0.000 0.278 239 L C -2.163 174.746 176.870 0.065 0.000 1.092 239 L CA -1.453 53.427 54.840 0.067 0.000 0.810 239 L CB 1.770 43.873 42.059 0.072 0.000 1.153 239 L HN 0.573 nan 8.230 nan 0.000 0.439 240 P HA 0.106 nan 4.420 nan 0.000 0.276 240 P C -0.787 176.675 177.300 0.271 0.000 1.243 240 P CA -0.277 62.904 63.100 0.134 0.000 0.768 240 P CB 0.724 32.361 31.700 -0.106 0.000 0.856 241 V N 6.383 126.420 119.914 0.205 0.000 2.385 241 V HA 0.258 4.380 4.120 0.003 0.000 0.269 241 V C -2.013 173.921 176.094 -0.267 0.000 1.043 241 V CA -1.954 60.351 62.300 0.008 0.000 0.906 241 V CB 0.664 32.456 31.823 -0.051 0.000 0.995 241 V HN 0.487 nan 8.190 nan 0.000 0.467 242 P HA 0.358 nan 4.420 nan 0.000 0.281 242 P C -2.606 174.407 177.300 -0.478 0.000 1.252 242 P CA -1.861 60.819 63.100 -0.700 0.000 0.778 242 P CB 0.325 31.896 31.700 -0.214 0.000 0.895 243 P HA 0.037 nan 4.420 nan 0.000 0.271 243 P C -1.769 175.423 177.300 -0.179 0.000 1.238 243 P CA -1.025 61.903 63.100 -0.286 0.000 0.794 243 P CB -0.810 30.750 31.700 -0.234 0.000 0.959 244 P HA -0.148 nan 4.420 nan 0.000 0.215 244 P C -1.211 176.041 177.300 -0.081 0.000 1.163 244 P CA 2.693 65.737 63.100 -0.093 0.000 0.894 244 P CB -1.958 29.697 31.700 -0.075 0.000 0.791 245 P HA -0.140 nan 4.420 nan 0.000 0.219 245 P C 1.380 178.651 177.300 -0.049 0.000 1.145 245 P CA 1.102 64.165 63.100 -0.062 0.000 0.813 245 P CB -0.485 31.175 31.700 -0.067 0.000 0.771 246 V N -0.491 119.385 119.914 -0.064 0.000 2.488 246 V HA -0.103 4.019 4.120 0.003 0.000 0.246 246 V C 1.367 177.447 176.094 -0.024 0.000 1.046 246 V CA 1.510 63.787 62.300 -0.039 0.000 1.053 246 V CB -0.810 30.980 31.823 -0.055 0.000 0.679 246 V HN 0.255 nan 8.190 nan 0.000 0.458 247 R N -0.249 120.229 120.500 -0.036 0.000 2.738 247 R HA 0.404 4.746 4.340 0.003 0.000 0.280 247 R C -3.048 173.231 176.300 -0.035 0.000 1.456 247 R CA -1.562 54.524 56.100 -0.023 0.000 1.612 247 R CB -0.105 30.186 30.300 -0.015 0.000 1.286 247 R HN 0.203 nan 8.270 nan 0.000 0.660 248 P HA -0.055 nan 4.420 nan 0.000 0.269 248 P C -0.029 177.255 177.300 -0.027 0.000 1.211 248 P CA 0.276 63.359 63.100 -0.029 0.000 0.781 248 P CB 1.021 32.711 31.700 -0.018 0.000 0.877 249 S N 1.694 117.377 115.700 -0.028 0.000 3.012 249 S HA 0.720 5.191 4.470 0.003 0.000 0.254 249 S C 0.837 175.434 174.600 -0.005 0.000 1.030 249 S CA 0.077 58.263 58.200 -0.024 0.000 1.053 249 S CB -0.345 62.831 63.200 -0.040 0.000 1.286 249 S HN 0.514 nan 8.310 nan 0.000 0.633 250 I N -2.608 117.963 120.570 0.001 0.000 4.907 250 I HA -0.356 3.815 4.170 0.003 0.000 0.038 250 I C 0.978 177.130 176.117 0.057 0.000 0.635 250 I CA 1.617 62.929 61.300 0.020 0.000 0.206 250 I CB -2.262 35.739 38.000 0.002 0.000 0.320 250 I HN 1.382 nan 8.210 nan 0.000 0.150 251 S N -0.820 114.916 115.700 0.061 0.000 2.524 251 S HA -0.205 4.266 4.470 0.003 0.000 0.254 251 S C -0.136 174.589 174.600 0.209 0.000 1.258 251 S CA 1.648 59.907 58.200 0.098 0.000 1.448 251 S CB -1.549 61.699 63.200 0.080 0.000 1.806 251 S HN 1.648 nan 8.310 nan 0.000 0.630 252 F N 0.602 120.548 119.950 -0.007 0.000 2.769 252 F HA 0.489 5.018 4.527 0.003 0.000 0.313 252 F C -1.548 174.247 175.800 -0.008 0.000 1.146 252 F CA -0.667 57.329 58.000 -0.006 0.000 0.934 252 F CB 1.029 40.028 39.000 -0.002 0.000 1.283 252 F HN 0.013 nan 8.300 nan 0.000 0.443 253 N N 2.423 120.647 118.700 -0.793 0.000 2.249 253 N HA 0.312 5.054 4.740 0.003 0.000 0.296 253 N C -1.885 173.252 175.510 -0.621 0.000 1.051 253 N CA -0.897 51.853 53.050 -0.500 0.000 0.815 253 N CB 2.019 40.310 38.487 -0.327 0.000 1.487 253 N HN 0.370 nan 8.380 nan 0.000 0.475 254 E N 1.636 121.709 120.200 -0.212 0.000 2.373 254 E HA 0.211 4.563 4.350 0.003 0.000 0.233 254 E C -0.883 175.734 176.600 0.029 0.000 1.035 254 E CA -0.167 56.183 56.400 -0.083 0.000 0.930 254 E CB 0.568 30.230 29.700 -0.063 0.000 1.278 254 E HN 0.604 nan 8.360 nan 0.000 0.452 255 S N 1.930 117.687 115.700 0.096 0.000 3.030 255 S HA -0.239 4.233 4.470 0.003 0.000 0.855 255 S C 0.225 174.919 174.600 0.157 0.000 0.973 255 S CA 0.666 58.944 58.200 0.130 0.000 1.342 255 S CB -0.361 62.873 63.200 0.057 0.000 0.961 255 S HN 0.785 nan 8.310 nan 0.000 0.275 256 Q N 0.828 120.719 119.800 0.151 0.000 2.434 256 Q HA -0.307 4.034 4.340 0.003 0.000 0.366 256 Q C 1.035 177.097 176.000 0.103 0.000 1.398 256 Q CA 1.275 57.161 55.803 0.139 0.000 1.074 256 Q CB -0.328 28.549 28.738 0.232 0.000 1.236 256 Q HN 0.658 nan 8.270 nan 0.000 0.329 257 R N 1.509 122.044 120.500 0.057 0.000 2.133 257 R HA -0.163 4.179 4.340 0.003 0.000 0.245 257 R C 0.823 177.132 176.300 0.015 0.000 1.137 257 R CA 1.910 58.024 56.100 0.024 0.000 0.947 257 R CB -0.426 29.878 30.300 0.006 0.000 0.865 257 R HN 0.981 nan 8.270 nan 0.000 0.437 258 G N 1.268 110.082 108.800 0.024 0.000 2.686 258 G HA2 -0.202 3.760 3.960 0.003 0.000 0.211 258 G HA3 -0.202 3.760 3.960 0.003 0.000 0.211 258 G C -1.016 173.873 174.900 -0.019 0.000 0.829 258 G CA 0.231 45.346 45.100 0.024 0.000 0.993 258 G HN 0.363 nan 8.290 nan 0.000 0.330 259 E N 1.761 121.938 120.200 -0.038 0.000 2.340 259 E HA 0.404 4.755 4.350 0.003 0.000 0.273 259 E C -0.507 176.075 176.600 -0.031 0.000 0.891 259 E CA -0.977 55.356 56.400 -0.113 0.000 0.757 259 E CB 1.807 31.312 29.700 -0.325 0.000 1.231 259 E HN 0.416 nan 8.360 nan 0.000 0.439 260 D N 1.099 121.483 120.400 -0.025 0.000 2.399 260 D HA 0.030 4.672 4.640 0.003 0.000 0.241 260 D C 0.744 177.120 176.300 0.126 0.000 1.133 260 D CA 0.038 54.066 54.000 0.047 0.000 0.890 260 D CB 0.707 41.522 40.800 0.023 0.000 1.201 260 D HN 0.231 nan 8.370 nan 0.000 0.432 261 D N 0.945 121.461 120.400 0.193 0.000 2.190 261 D HA -0.143 4.498 4.640 0.003 0.000 0.200 261 D C 1.940 178.391 176.300 0.251 0.000 0.992 261 D CA 0.811 54.981 54.000 0.283 0.000 0.854 261 D CB 0.111 41.002 40.800 0.152 0.000 0.936 261 D HN 0.378 nan 8.370 nan 0.000 0.462 262 L N 0.323 121.641 121.223 0.158 0.000 2.156 262 L HA -0.088 4.253 4.340 0.003 0.000 0.208 262 L C 2.089 179.011 176.870 0.087 0.000 1.095 262 L CA 1.041 55.979 54.840 0.165 0.000 0.770 262 L CB -0.645 41.511 42.059 0.161 0.000 0.914 262 L HN 0.015 nan 8.230 nan 0.000 0.439 263 T N -0.360 114.195 114.554 0.002 0.000 3.025 263 T HA -0.119 4.233 4.350 0.003 0.000 0.270 263 T C 1.410 175.994 174.700 -0.194 0.000 1.126 263 T CA 1.051 63.074 62.100 -0.127 0.000 1.105 263 T CB -0.226 68.519 68.868 -0.204 0.000 0.884 263 T HN 0.086 nan 8.240 nan 0.000 0.522 264 F N 1.314 121.246 119.950 -0.031 0.000 2.092 264 F HA 0.249 4.777 4.527 0.003 0.000 0.286 264 F C 2.346 178.093 175.800 -0.088 0.000 1.116 264 F CA 0.682 58.654 58.000 -0.046 0.000 1.185 264 F CB -0.258 38.729 39.000 -0.022 0.000 1.034 264 F HN -0.121 nan 8.300 nan 0.000 0.479 265 K N 0.292 120.774 120.400 0.136 0.000 2.281 265 K HA -0.151 4.170 4.320 0.003 0.000 0.203 265 K C 2.018 178.516 176.600 -0.170 0.000 1.046 265 K CA 0.614 56.886 56.287 -0.025 0.000 0.938 265 K CB -0.265 32.260 32.500 0.042 0.000 0.737 265 K HN 0.190 nan 8.250 nan 0.000 0.458 266 L N 0.332 121.441 121.223 -0.189 0.000 1.989 266 L HA -0.220 4.122 4.340 0.003 0.000 0.211 266 L C 2.480 179.245 176.870 -0.175 0.000 1.071 266 L CA 1.961 56.651 54.840 -0.251 0.000 0.749 266 L CB -1.226 40.699 42.059 -0.224 0.000 0.890 266 L HN 0.222 nan 8.230 nan 0.000 0.431 267 A N -0.518 122.228 122.820 -0.123 0.000 1.933 267 A HA -0.216 4.105 4.320 0.003 0.000 0.218 267 A C 1.931 179.446 177.584 -0.116 0.000 1.175 267 A CA 1.836 53.817 52.037 -0.094 0.000 0.628 267 A CB -0.422 18.544 19.000 -0.058 0.000 0.814 267 A HN 0.398 nan 8.150 nan 0.000 0.444 268 D N -0.035 120.262 120.400 -0.171 0.000 2.097 268 D HA -0.077 4.565 4.640 0.003 0.000 0.197 268 D C 1.927 177.952 176.300 -0.457 0.000 0.984 268 D CA 0.916 54.699 54.000 -0.362 0.000 0.826 268 D CB -0.329 40.146 40.800 -0.542 0.000 0.973 268 D HN 0.482 nan 8.370 nan 0.000 0.460 269 I N 0.732 121.095 120.570 -0.346 0.000 2.069 269 I HA -0.270 3.901 4.170 0.003 0.000 0.237 269 I C 2.551 178.610 176.117 -0.097 0.000 1.053 269 I CA 0.916 62.119 61.300 -0.162 0.000 1.311 269 I CB -0.226 37.677 38.000 -0.161 0.000 1.030 269 I HN 0.005 nan 8.210 nan 0.000 0.398 270 L N 0.436 121.591 121.223 -0.114 0.000 2.265 270 L HA -0.232 4.109 4.340 0.003 0.000 0.215 270 L C 2.533 179.362 176.870 -0.069 0.000 1.117 270 L CA 1.330 56.120 54.840 -0.083 0.000 0.782 270 L CB -0.235 41.770 42.059 -0.088 0.000 0.914 270 L HN 0.217 nan 8.230 nan 0.000 0.441 271 K N -0.580 119.777 120.400 -0.072 0.000 2.098 271 K HA -0.032 4.290 4.320 0.003 0.000 0.203 271 K C 1.747 178.339 176.600 -0.014 0.000 1.051 271 K CA 0.953 57.211 56.287 -0.049 0.000 0.957 271 K CB 0.034 32.508 32.500 -0.043 0.000 0.738 271 K HN 0.301 nan 8.250 nan 0.000 0.447 272 A N 0.881 123.706 122.820 0.009 0.000 2.238 272 A HA -0.013 4.309 4.320 0.003 0.000 0.208 272 A C 1.438 179.062 177.584 0.066 0.000 1.177 272 A CA 0.466 52.553 52.037 0.082 0.000 0.804 272 A CB -0.397 18.741 19.000 0.230 0.000 0.823 272 A HN 0.355 nan 8.150 nan 0.000 0.482 273 N N -0.135 118.580 118.700 0.025 0.000 2.432 273 N HA 0.051 4.793 4.740 0.003 0.000 0.174 273 N C 1.390 176.902 175.510 0.004 0.000 1.037 273 N CA 0.517 53.576 53.050 0.016 0.000 0.892 273 N CB 0.087 38.574 38.487 -0.001 0.000 1.049 273 N HN 0.484 nan 8.380 nan 0.000 0.442 274 I N 0.661 121.222 120.570 -0.015 0.000 2.756 274 I HA -0.167 4.005 4.170 0.003 0.000 0.262 274 I C 2.462 178.576 176.117 -0.004 0.000 1.225 274 I CA 0.292 61.576 61.300 -0.027 0.000 1.472 274 I CB -0.247 37.714 38.000 -0.065 0.000 1.094 274 I HN 0.094 nan 8.210 nan 0.000 0.454 275 S N 1.551 117.257 115.700 0.010 0.000 2.372 275 S HA -0.223 4.248 4.470 0.003 0.000 0.227 275 S C 1.942 176.554 174.600 0.021 0.000 1.044 275 S CA 1.790 60.003 58.200 0.021 0.000 1.050 275 S CB -0.152 63.070 63.200 0.036 0.000 0.901 275 S HN 0.329 nan 8.310 nan 0.000 0.447 276 L N 1.282 122.519 121.223 0.024 0.000 2.209 276 L HA 0.215 4.557 4.340 0.003 0.000 0.207 276 L C 2.463 179.357 176.870 0.040 0.000 1.094 276 L CA 1.387 56.240 54.840 0.021 0.000 0.790 276 L CB -0.761 41.309 42.059 0.018 0.000 0.932 276 L HN 0.333 nan 8.230 nan 0.000 0.447 277 E N -0.878 119.359 120.200 0.061 0.000 2.171 277 E HA -0.218 4.133 4.350 0.003 0.000 0.197 277 E C 1.674 178.383 176.600 0.182 0.000 0.997 277 E CA 1.773 58.249 56.400 0.127 0.000 0.810 277 E CB -0.186 29.548 29.700 0.057 0.000 0.738 277 E HN 0.474 nan 8.360 nan 0.000 0.467 278 T N 0.585 115.192 114.554 0.088 0.000 3.054 278 T HA 0.090 4.441 4.350 0.003 0.000 0.259 278 T C 1.274 176.011 174.700 0.060 0.000 1.092 278 T CA 0.419 62.564 62.100 0.075 0.000 1.121 278 T CB 0.200 69.087 68.868 0.032 0.000 0.912 278 T HN 0.069 nan 8.240 nan 0.000 0.489 279 L N 0.849 122.093 121.223 0.034 0.000 2.912 279 L HA 0.423 4.764 4.340 0.003 0.000 0.240 279 L C 1.234 178.076 176.870 -0.047 0.000 1.262 279 L CA 0.265 55.106 54.840 0.001 0.000 1.058 279 L CB -0.086 41.973 42.059 -0.001 0.000 1.383 279 L HN 0.199 nan 8.230 nan 0.000 0.512 280 E N -1.600 118.541 120.200 -0.099 0.000 2.550 280 E HA 0.089 4.440 4.350 0.003 0.000 0.206 280 E C 1.153 177.523 176.600 -0.383 0.000 0.845 280 E CA -0.033 56.199 56.400 -0.281 0.000 1.461 280 E CB 0.663 30.103 29.700 -0.433 0.000 1.452 280 E HN 0.477 nan 8.360 nan 0.000 0.780 281 H N -0.776 118.294 119.070 0.001 0.000 3.058 281 H HA 0.304 4.861 4.556 0.003 0.000 0.258 281 H C 0.898 176.227 175.328 0.002 0.000 1.015 281 H CA 0.107 56.156 56.048 0.002 0.000 1.210 281 H CB 0.819 30.581 29.762 -0.000 0.000 1.481 281 H HN -0.011 nan 8.280 nan 0.000 0.492 282 N N 0.866 119.637 118.700 0.119 0.000 2.604 282 N HA 0.084 4.825 4.740 0.003 0.000 0.234 282 N C 1.264 176.798 175.510 0.040 0.000 1.064 282 N CA 0.595 53.687 53.050 0.070 0.000 1.202 282 N CB -0.512 38.011 38.487 0.059 0.000 1.575 282 N HN 0.164 nan 8.380 nan 0.000 0.619 283 G N -1.048 107.770 108.800 0.031 0.000 2.528 283 G HA2 0.544 4.506 3.960 0.003 0.000 0.289 283 G HA3 0.544 4.506 3.960 0.003 0.000 0.289 283 G C -0.819 174.087 174.900 0.011 0.000 1.192 283 G CA 0.068 45.181 45.100 0.022 0.000 0.921 283 G HN 0.442 nan 8.290 nan 0.000 0.512 284 A N 0.985 123.814 122.820 0.014 0.000 3.464 284 A HA 0.569 4.890 4.320 0.003 0.000 0.243 284 A C -2.051 175.551 177.584 0.030 0.000 1.100 284 A CA -0.706 51.336 52.037 0.009 0.000 0.957 284 A CB -0.014 18.986 19.000 -0.000 0.000 1.340 284 A HN 0.544 nan 8.150 nan 0.000 0.645 285 P HA 0.284 nan 4.420 nan 0.000 0.286 285 P C 1.053 178.417 177.300 0.106 0.000 1.293 285 P CA -0.414 62.735 63.100 0.081 0.000 0.770 285 P CB 0.575 32.322 31.700 0.080 0.000 1.206 286 H N -0.319 118.799 119.070 0.079 0.000 2.276 286 H HA -0.062 4.495 4.556 0.003 0.000 0.307 286 H C -0.094 175.290 175.328 0.095 0.000 1.061 286 H CA 1.121 57.236 56.048 0.112 0.000 1.336 286 H CB -0.253 29.600 29.762 0.152 0.000 1.396 286 H HN 0.365 nan 8.280 nan 0.000 0.503 287 H N -0.877 118.260 119.070 0.113 0.000 3.074 287 H HA -0.109 4.449 4.556 0.003 0.000 0.321 287 H C -0.625 174.771 175.328 0.114 0.000 0.981 287 H CA 0.533 56.690 56.048 0.181 0.000 1.019 287 H CB -1.287 28.639 29.762 0.273 0.000 1.593 287 H HN 0.520 nan 8.280 nan 0.000 0.355 288 A N 4.301 127.192 122.820 0.119 0.000 2.690 288 A HA 0.488 4.809 4.320 0.003 0.000 0.342 288 A C 1.000 178.560 177.584 -0.041 0.000 1.410 288 A CA -0.460 51.582 52.037 0.008 0.000 0.958 288 A CB 0.152 19.169 19.000 0.029 0.000 1.153 288 A HN 0.577 nan 8.150 nan 0.000 0.497 289 I N -0.154 120.361 120.570 -0.092 0.000 4.033 289 I HA 0.025 4.196 4.170 0.003 0.000 0.296 289 I C 1.715 177.768 176.117 -0.108 0.000 1.210 289 I CA 0.299 61.551 61.300 -0.080 0.000 1.341 289 I CB 0.223 38.180 38.000 -0.071 0.000 1.369 289 I HN 0.599 nan 8.210 nan 0.000 0.453 290 E N 1.400 121.494 120.200 -0.177 0.000 2.455 290 E HA -0.218 4.134 4.350 0.003 0.000 0.202 290 E C 1.161 177.672 176.600 -0.149 0.000 1.045 290 E CA 0.952 57.255 56.400 -0.162 0.000 0.872 290 E CB 0.014 29.595 29.700 -0.198 0.000 0.792 290 E HN 0.527 nan 8.360 nan 0.000 0.542 291 E N -0.359 119.741 120.200 -0.166 0.000 2.431 291 E HA 0.114 4.465 4.350 0.003 0.000 0.200 291 E C 1.704 178.272 176.600 -0.053 0.000 0.995 291 E CA 0.409 56.745 56.400 -0.107 0.000 0.915 291 E CB 0.440 30.074 29.700 -0.110 0.000 0.930 291 E HN 0.205 nan 8.360 nan 0.000 0.496 292 A N 1.280 124.077 122.820 -0.039 0.000 1.943 292 A HA -0.062 4.260 4.320 0.003 0.000 0.213 292 A C 1.756 179.351 177.584 0.018 0.000 1.181 292 A CA 0.535 52.570 52.037 -0.003 0.000 0.653 292 A CB -0.100 18.901 19.000 0.002 0.000 0.833 292 A HN 0.048 nan 8.150 nan 0.000 0.451 293 E N 0.755 120.960 120.200 0.009 0.000 2.401 293 E HA -0.128 4.223 4.350 0.003 0.000 0.199 293 E C 2.024 178.660 176.600 0.059 0.000 1.023 293 E CA 1.107 57.527 56.400 0.034 0.000 0.859 293 E CB -0.075 29.640 29.700 0.024 0.000 0.780 293 E HN 0.812 nan 8.360 nan 0.000 0.523 294 S N 0.125 115.848 115.700 0.039 0.000 2.398 294 S HA -0.008 4.464 4.470 0.003 0.000 0.220 294 S C 1.251 175.892 174.600 0.069 0.000 1.046 294 S CA -0.011 58.218 58.200 0.048 0.000 0.953 294 S CB 0.037 63.236 63.200 -0.001 0.000 0.856 294 S HN 0.048 nan 8.310 nan 0.000 0.506 295 L N 2.023 123.263 121.223 0.029 0.000 2.939 295 L HA 0.502 4.844 4.340 0.003 0.000 0.239 295 L C 0.551 177.485 176.870 0.106 0.000 1.325 295 L CA 0.213 55.076 54.840 0.039 0.000 1.170 295 L CB 0.115 42.138 42.059 -0.059 0.000 1.538 295 L HN 0.429 nan 8.230 nan 0.000 0.452 296 L N -1.585 119.719 121.223 0.135 0.000 3.406 296 L HA 0.188 4.529 4.340 0.003 0.000 0.309 296 L C 1.693 178.651 176.870 0.147 0.000 1.159 296 L CA 0.666 55.602 54.840 0.159 0.000 1.122 296 L CB 0.181 42.309 42.059 0.115 0.000 1.633 296 L HN 0.289 nan 8.230 nan 0.000 0.607 297 Q N -1.075 118.816 119.800 0.151 0.000 2.302 297 Q HA -0.044 4.298 4.340 0.003 0.000 0.202 297 Q C 1.833 177.932 176.000 0.165 0.000 0.936 297 Q CA 1.564 57.465 55.803 0.162 0.000 0.886 297 Q CB -0.215 28.640 28.738 0.195 0.000 0.986 297 Q HN 0.468 nan 8.270 nan 0.000 0.487 298 F N -0.082 119.872 119.950 0.006 0.000 2.163 298 F HA -0.073 4.456 4.527 0.003 0.000 0.297 298 F C 1.587 177.378 175.800 -0.015 0.000 1.094 298 F CA 1.913 59.886 58.000 -0.044 0.000 1.290 298 F CB -0.231 38.688 39.000 -0.135 0.000 1.017 298 F HN 0.216 nan 8.300 nan 0.000 0.483 299 H N -1.178 117.841 119.070 -0.085 0.000 2.389 299 H HA -0.071 4.487 4.556 0.003 0.000 0.299 299 H C 2.102 177.376 175.328 -0.091 0.000 1.081 299 H CA 1.477 57.426 56.048 -0.164 0.000 1.345 299 H CB 0.012 29.764 29.762 -0.016 0.000 1.393 299 H HN 0.172 nan 8.280 nan 0.000 0.520 300 V N 0.416 120.391 119.914 0.101 0.000 3.041 300 V HA -0.078 4.044 4.120 0.003 0.000 0.260 300 V C 2.301 178.434 176.094 0.066 0.000 1.105 300 V CA 0.965 63.336 62.300 0.119 0.000 1.125 300 V CB -0.527 31.361 31.823 0.107 0.000 0.730 300 V HN 0.482 nan 8.190 nan 0.000 0.479 301 A N 1.093 123.905 122.820 -0.014 0.000 1.825 301 A HA -0.164 4.158 4.320 0.003 0.000 0.214 301 A C 2.434 179.961 177.584 -0.096 0.000 1.206 301 A CA 2.398 54.397 52.037 -0.062 0.000 0.609 301 A CB -1.266 17.705 19.000 -0.049 0.000 0.851 301 A HN 0.431 nan 8.150 nan 0.000 0.445 302 T N -0.820 113.622 114.554 -0.186 0.000 2.624 302 T HA -0.284 4.067 4.350 0.003 0.000 0.268 302 T C 1.805 176.481 174.700 -0.039 0.000 1.041 302 T CA 2.049 64.055 62.100 -0.158 0.000 1.159 302 T CB -0.674 68.017 68.868 -0.293 0.000 0.863 302 T HN 0.554 nan 8.240 nan 0.000 0.434 303 Y N 1.108 121.350 120.300 -0.095 0.000 2.193 303 Y HA -0.202 4.349 4.550 0.002 0.000 0.285 303 Y C 2.365 178.249 175.900 -0.027 0.000 1.166 303 Y CA 1.427 59.501 58.100 -0.043 0.000 1.181 303 Y CB -0.443 38.002 38.460 -0.026 0.000 0.976 303 Y HN 0.092 nan 8.280 nan 0.000 0.520 304 M N -0.007 119.456 119.600 -0.228 0.000 2.123 304 M HA 0.042 4.524 4.480 0.003 0.000 0.263 304 M C -0.365 175.840 176.300 -0.158 0.000 1.069 304 M CA 1.737 56.864 55.300 -0.288 0.000 1.133 304 M CB 0.039 32.493 32.600 -0.244 0.000 1.356 304 M HN 0.397 nan 8.290 nan 0.000 0.415 305 D N -0.871 119.467 120.400 -0.103 0.000 2.706 305 D HA 0.261 4.903 4.640 0.003 0.000 0.225 305 D C -1.782 174.488 176.300 -0.051 0.000 1.241 305 D CA -0.620 53.350 54.000 -0.050 0.000 0.784 305 D CB 0.792 41.595 40.800 0.006 0.000 1.521 305 D HN 0.396 nan 8.370 nan 0.000 0.461 306 N N 1.507 120.185 118.700 -0.036 0.000 2.558 306 N HA 0.543 5.284 4.740 0.003 0.000 0.285 306 N C -1.816 173.688 175.510 -0.010 0.000 1.112 306 N CA -0.713 52.321 53.050 -0.026 0.000 0.857 306 N CB 1.696 40.162 38.487 -0.035 0.000 1.376 306 N HN 0.206 nan 8.380 nan 0.000 0.526 307 D N 2.277 122.676 120.400 -0.000 0.000 3.204 307 D HA 0.201 4.842 4.640 0.003 0.000 0.220 307 D C -1.367 174.937 176.300 0.006 0.000 1.451 307 D CA -0.137 53.864 54.000 0.002 0.000 1.183 307 D CB 0.069 40.865 40.800 -0.006 0.000 1.348 307 D HN 0.533 nan 8.370 nan 0.000 0.664 308 I N -0.865 119.713 120.570 0.013 0.000 3.710 308 I HA 0.895 5.066 4.170 0.003 0.000 0.293 308 I C -0.448 175.679 176.117 0.017 0.000 1.170 308 I CA -1.464 59.844 61.300 0.014 0.000 1.186 308 I CB 0.184 38.193 38.000 0.016 0.000 1.308 308 I HN 0.080 nan 8.210 nan 0.000 0.437 309 A N 0.465 123.295 122.820 0.016 0.000 2.260 309 A HA 0.702 5.024 4.320 0.003 0.000 0.314 309 A C 0.364 177.960 177.584 0.021 0.000 1.257 309 A CA -0.034 52.012 52.037 0.015 0.000 0.871 309 A CB -0.417 18.588 19.000 0.008 0.000 1.166 309 A HN 2.141 nan 8.150 nan 0.000 0.522 310 G N 1.555 110.368 108.800 0.022 0.000 2.851 310 G HA2 0.355 4.316 3.960 0.003 0.000 0.272 310 G HA3 0.355 4.316 3.960 0.003 0.000 0.272 310 G C -0.253 174.682 174.900 0.059 0.000 1.100 310 G CA 0.674 45.789 45.100 0.024 0.000 1.197 310 G HN 2.593 nan 8.290 nan 0.000 0.561 311 Q N -0.130 119.708 119.800 0.064 0.000 2.205 311 Q HA 0.047 4.389 4.340 0.003 0.000 0.245 311 Q C -2.539 173.477 176.000 0.025 0.000 0.934 311 Q CA 0.726 56.551 55.803 0.037 0.000 0.423 311 Q CB -0.985 27.765 28.738 0.021 0.000 0.509 311 Q HN 0.737 nan 8.270 nan 0.000 0.320 312 P HA 0.184 nan 4.420 nan 0.000 0.215 312 P C -0.375 176.956 177.300 0.051 0.000 1.872 312 P CA -0.413 62.707 63.100 0.033 0.000 0.996 312 P CB 0.576 32.287 31.700 0.018 0.000 1.772 313 Q N 1.696 121.550 119.800 0.090 0.000 2.793 313 Q HA 0.160 4.501 4.340 0.003 0.000 0.220 313 Q C -0.770 175.282 176.000 0.086 0.000 1.123 313 Q CA 0.293 56.180 55.803 0.140 0.000 1.073 313 Q CB 0.351 29.275 28.738 0.310 0.000 1.315 313 Q HN 0.207 nan 8.270 nan 0.000 0.619 314 A N 3.041 125.905 122.820 0.073 0.000 3.204 314 A HA 0.346 4.668 4.320 0.003 0.000 0.327 314 A C -0.245 177.379 177.584 0.067 0.000 0.998 314 A CA -0.707 51.399 52.037 0.115 0.000 0.891 314 A CB 0.067 19.093 19.000 0.044 0.000 1.061 314 A HN 0.545 nan 8.150 nan 0.000 0.478 315 L N 0.404 121.657 121.223 0.051 0.000 2.536 315 L HA -0.056 4.286 4.340 0.003 0.000 0.294 315 L C 1.320 178.189 176.870 -0.001 0.000 1.257 315 L CA 0.794 55.643 54.840 0.014 0.000 0.850 315 L CB -0.082 41.983 42.059 0.010 0.000 1.105 315 L HN 0.654 nan 8.230 nan 0.000 0.517 316 Q N 1.800 121.567 119.800 -0.055 0.000 2.389 316 Q HA 0.022 4.364 4.340 0.003 0.000 0.198 316 Q C 1.356 177.275 176.000 -0.135 0.000 0.967 316 Q CA 1.032 56.763 55.803 -0.121 0.000 0.863 316 Q CB 0.414 29.004 28.738 -0.247 0.000 0.987 316 Q HN 0.700 nan 8.270 nan 0.000 0.557 317 K N -2.136 118.180 120.400 -0.141 0.000 2.763 317 K HA 0.256 4.577 4.320 0.003 0.000 0.207 317 K C 1.658 178.215 176.600 -0.071 0.000 1.532 317 K CA 0.905 57.126 56.287 -0.110 0.000 1.059 317 K CB -0.132 32.284 32.500 -0.140 0.000 1.854 317 K HN 0.030 nan 8.250 nan 0.000 0.497 318 S N 0.012 115.666 115.700 -0.076 0.000 2.918 318 S HA 0.289 4.761 4.470 0.003 0.000 0.264 318 S C 0.884 175.457 174.600 -0.045 0.000 1.078 318 S CA 0.395 58.566 58.200 -0.049 0.000 0.918 318 S CB -0.177 62.998 63.200 -0.042 0.000 0.882 318 S HN 0.545 nan 8.310 nan 0.000 0.466 319 G N 2.283 111.049 108.800 -0.057 0.000 2.744 319 G HA2 0.299 4.261 3.960 0.003 0.000 0.257 319 G HA3 0.299 4.261 3.960 0.003 0.000 0.257 319 G C 0.119 174.998 174.900 -0.036 0.000 1.244 319 G CA -0.351 44.723 45.100 -0.043 0.000 0.916 319 G HN 0.343 nan 8.290 nan 0.000 0.564 320 R N 0.036 120.521 120.500 -0.025 0.000 3.064 320 R HA 0.137 4.479 4.340 0.003 0.000 0.280 320 R C -1.780 174.509 176.300 -0.018 0.000 1.182 320 R CA -0.966 55.124 56.100 -0.018 0.000 1.155 320 R CB -0.940 29.352 30.300 -0.013 0.000 1.112 320 R HN 0.307 nan 8.270 nan 0.000 0.564 321 P HA -0.057 nan 4.420 nan 0.000 0.273 321 P C 0.773 178.068 177.300 -0.008 0.000 1.258 321 P CA 0.048 63.145 63.100 -0.006 0.000 0.802 321 P CB 0.248 31.949 31.700 0.001 0.000 1.040 322 V N -3.952 115.960 119.914 -0.002 0.000 3.306 322 V HA 0.022 4.144 4.120 0.003 0.000 0.264 322 V C 1.423 177.523 176.094 0.010 0.000 1.149 322 V CA 0.889 63.195 62.300 0.011 0.000 1.143 322 V CB -1.401 30.440 31.823 0.030 0.000 0.767 322 V HN 0.501 nan 8.190 nan 0.000 0.476 323 K N 0.340 120.738 120.400 -0.003 0.000 3.553 323 K HA -0.308 4.013 4.320 0.003 0.000 0.280 323 K C 0.521 177.108 176.600 -0.022 0.000 1.061 323 K CA 1.551 57.831 56.287 -0.012 0.000 1.101 323 K CB -1.673 30.820 32.500 -0.012 0.000 1.421 323 K HN 1.483 nan 8.250 nan 0.000 0.440 324 S N -2.014 113.675 115.700 -0.018 0.000 3.986 324 S HA -0.193 4.279 4.470 0.003 0.000 0.642 324 S C 1.002 175.557 174.600 -0.075 0.000 1.599 324 S CA 0.463 58.633 58.200 -0.051 0.000 1.760 324 S CB -1.281 61.876 63.200 -0.072 0.000 0.326 324 S HN 0.321 nan 8.310 nan 0.000 1.784 325 I N 1.473 121.953 120.570 -0.150 0.000 2.617 325 I HA -0.042 4.130 4.170 0.003 0.000 0.256 325 I C 2.702 178.763 176.117 -0.093 0.000 1.167 325 I CA 0.996 62.217 61.300 -0.132 0.000 1.469 325 I CB -0.532 37.339 38.000 -0.215 0.000 1.098 325 I HN 0.554 nan 8.210 nan 0.000 0.436 326 R N 1.962 122.410 120.500 -0.087 0.000 2.105 326 R HA -0.143 4.199 4.340 0.003 0.000 0.239 326 R C 1.675 177.931 176.300 -0.073 0.000 1.135 326 R CA 1.859 57.915 56.100 -0.073 0.000 0.967 326 R CB -0.048 30.230 30.300 -0.036 0.000 0.861 326 R HN 0.365 nan 8.270 nan 0.000 0.442 327 A N -0.246 122.539 122.820 -0.057 0.000 2.500 327 A HA 0.206 4.528 4.320 0.003 0.000 0.267 327 A C 1.561 179.122 177.584 -0.039 0.000 1.290 327 A CA -0.363 51.645 52.037 -0.048 0.000 0.928 327 A CB 0.044 19.021 19.000 -0.039 0.000 1.066 327 A HN 0.179 nan 8.150 nan 0.000 0.516 328 R N -0.681 119.795 120.500 -0.040 0.000 2.200 328 R HA 0.179 4.520 4.340 0.003 0.000 0.208 328 R C 1.104 177.384 176.300 -0.033 0.000 1.033 328 R CA 0.799 56.882 56.100 -0.029 0.000 1.000 328 R CB -0.013 30.273 30.300 -0.022 0.000 0.906 328 R HN 0.531 nan 8.270 nan 0.000 0.462 329 L N -0.150 121.044 121.223 -0.049 0.000 2.470 329 L HA 0.125 4.466 4.340 0.003 0.000 0.219 329 L C 0.923 177.756 176.870 -0.063 0.000 1.071 329 L CA -0.013 54.794 54.840 -0.056 0.000 0.850 329 L CB -0.030 41.982 42.059 -0.078 0.000 1.040 329 L HN -0.041 nan 8.230 nan 0.000 0.475 330 K N 2.147 122.506 120.400 -0.068 0.000 2.491 330 K HA 0.031 4.353 4.320 0.003 0.000 0.279 330 K C 0.495 177.059 176.600 -0.061 0.000 1.026 330 K CA 0.114 56.358 56.287 -0.071 0.000 1.070 330 K CB 0.566 33.026 32.500 -0.067 0.000 0.887 330 K HN 0.104 nan 8.250 nan 0.000 0.481 331 G N 2.870 111.630 108.800 -0.067 0.000 2.771 331 G HA2 -0.014 3.947 3.960 0.003 0.000 0.242 331 G HA3 -0.014 3.947 3.960 0.003 0.000 0.242 331 G C -0.486 174.383 174.900 -0.052 0.000 1.233 331 G CA -0.181 44.885 45.100 -0.058 0.000 0.858 331 G HN 0.720 nan 8.290 nan 0.000 0.591 332 K N 0.182 120.558 120.400 -0.040 0.000 6.692 332 K HA -0.169 4.152 4.320 0.003 0.000 0.775 332 K C 0.751 177.334 176.600 -0.028 0.000 2.128 332 K CA 1.101 57.368 56.287 -0.033 0.000 1.684 332 K CB -1.073 31.401 32.500 -0.042 0.000 1.997 332 K HN 1.016 nan 8.250 nan 0.000 0.306 333 E N -1.657 118.531 120.200 -0.020 0.000 3.547 333 E HA -0.266 4.086 4.350 0.003 0.000 0.300 333 E C 0.857 177.446 176.600 -0.017 0.000 0.857 333 E CA 1.786 58.176 56.400 -0.016 0.000 1.039 333 E CB -1.561 28.128 29.700 -0.017 0.000 1.524 333 E HN 0.784 nan 8.360 nan 0.000 0.457 334 G N 0.395 109.182 108.800 -0.022 0.000 2.531 334 G HA2 0.267 4.228 3.960 0.003 0.000 0.253 334 G HA3 0.267 4.228 3.960 0.003 0.000 0.253 334 G C 0.706 175.596 174.900 -0.017 0.000 1.439 334 G CA 0.276 45.361 45.100 -0.024 0.000 1.056 334 G HN 0.069 nan 8.290 nan 0.000 0.555 335 R N -1.489 119.001 120.500 -0.018 0.000 2.246 335 R HA 0.290 4.631 4.340 0.003 0.000 0.199 335 R C 1.967 178.264 176.300 -0.006 0.000 0.984 335 R CA 0.818 56.912 56.100 -0.010 0.000 1.015 335 R CB -0.179 30.116 30.300 -0.009 0.000 0.930 335 R HN 0.536 nan 8.270 nan 0.000 0.475 336 I N -1.377 119.186 120.570 -0.011 0.000 3.132 336 I HA 0.133 4.305 4.170 0.003 0.000 0.255 336 I C 1.113 177.230 176.117 -0.000 0.000 1.118 336 I CA -0.184 61.114 61.300 -0.004 0.000 1.463 336 I CB 0.058 38.053 38.000 -0.008 0.000 1.356 336 I HN -0.072 nan 8.210 nan 0.000 0.463 337 R N 1.594 122.090 120.500 -0.007 0.000 4.680 337 R HA 0.194 4.535 4.340 0.003 0.000 0.222 337 R C 0.330 176.627 176.300 -0.004 0.000 1.803 337 R CA 0.475 56.573 56.100 -0.003 0.000 1.560 337 R CB -0.274 30.019 30.300 -0.011 0.000 1.412 337 R HN 0.538 nan 8.270 nan 0.000 0.815 338 G N 0.126 108.925 108.800 -0.001 0.000 4.142 338 G HA2 -0.114 3.848 3.960 0.003 0.000 0.200 338 G HA3 -0.114 3.848 3.960 0.003 0.000 0.200 338 G C 0.480 175.381 174.900 0.002 0.000 0.811 338 G CA -0.400 44.700 45.100 -0.001 0.000 0.855 338 G HN 0.356 nan 8.290 nan 0.000 0.455 339 N N -0.277 118.424 118.700 0.003 0.000 2.145 339 N HA 0.369 5.111 4.740 0.003 0.000 0.219 339 N C 1.401 176.916 175.510 0.008 0.000 1.266 339 N CA 0.176 53.230 53.050 0.005 0.000 0.902 339 N CB 1.221 39.710 38.487 0.004 0.000 1.078 339 N HN 0.341 nan 8.380 nan 0.000 0.513 340 L N -0.441 120.787 121.223 0.009 0.000 2.678 340 L HA 0.294 4.636 4.340 0.003 0.000 0.211 340 L C 1.562 178.438 176.870 0.011 0.000 1.043 340 L CA 0.154 55.001 54.840 0.011 0.000 0.881 340 L CB 0.043 42.109 42.059 0.013 0.000 1.361 340 L HN -0.073 nan 8.230 nan 0.000 0.484 341 M N -0.023 119.584 119.600 0.012 0.000 2.557 341 M HA 0.193 4.675 4.480 0.003 0.000 0.259 341 M C 0.564 176.870 176.300 0.010 0.000 1.086 341 M CA 0.618 55.926 55.300 0.013 0.000 1.096 341 M CB -0.556 32.055 32.600 0.019 0.000 1.424 341 M HN 0.248 nan 8.290 nan 0.000 0.488 342 G N 1.219 110.025 108.800 0.010 0.000 2.107 342 G HA2 0.351 4.313 3.960 0.003 0.000 0.297 342 G HA3 0.351 4.313 3.960 0.003 0.000 0.297 342 G C -0.839 174.070 174.900 0.014 0.000 1.543 342 G CA -0.748 44.358 45.100 0.010 0.000 1.115 342 G HN 0.133 nan 8.290 nan 0.000 0.550 343 K N 1.277 121.688 120.400 0.019 0.000 2.106 343 K HA 0.569 4.890 4.320 0.003 0.000 0.246 343 K C 0.404 177.023 176.600 0.032 0.000 0.987 343 K CA -0.844 55.457 56.287 0.023 0.000 0.904 343 K CB 1.806 34.321 32.500 0.025 0.000 1.071 343 K HN 0.342 nan 8.250 nan 0.000 0.453 344 R N 0.787 121.303 120.500 0.027 0.000 2.539 344 R HA 0.284 4.626 4.340 0.003 0.000 0.275 344 R C -0.141 176.184 176.300 0.041 0.000 1.077 344 R CA -0.512 55.607 56.100 0.032 0.000 1.097 344 R CB 0.637 30.945 30.300 0.014 0.000 1.018 344 R HN 0.464 nan 8.270 nan 0.000 0.483 345 V N -1.780 118.167 119.914 0.056 0.000 3.114 345 V HA 0.414 4.535 4.120 0.003 0.000 0.308 345 V C -0.893 175.222 176.094 0.035 0.000 1.168 345 V CA -1.282 61.063 62.300 0.074 0.000 1.015 345 V CB 2.215 34.130 31.823 0.153 0.000 1.050 345 V HN 0.633 nan 8.190 nan 0.000 0.433 346 D N 1.051 121.459 120.400 0.014 0.000 2.478 346 D HA 0.615 5.256 4.640 0.003 0.000 0.269 346 D C -0.184 176.109 176.300 -0.011 0.000 1.232 346 D CA -0.314 53.591 54.000 -0.158 0.000 1.059 346 D CB -0.104 40.430 40.800 -0.444 0.000 1.104 346 D HN 0.739 nan 8.370 nan 0.000 0.566 347 F N -0.849 119.107 119.950 0.011 0.000 2.773 347 F HA -0.196 4.332 4.527 0.002 0.000 0.251 347 F C 0.101 175.899 175.800 -0.003 0.000 1.020 347 F CA 0.225 58.238 58.000 0.023 0.000 0.924 347 F CB -1.894 37.136 39.000 0.052 0.000 0.919 347 F HN 0.302 nan 8.300 nan 0.000 0.846 348 S N -0.844 114.869 115.700 0.021 0.000 2.570 348 S HA 1.009 5.481 4.470 0.003 0.000 0.270 348 S C -0.534 174.040 174.600 -0.043 0.000 1.149 348 S CA -0.360 57.774 58.200 -0.109 0.000 0.837 348 S CB 2.520 65.558 63.200 -0.270 0.000 1.124 348 S HN 1.306 nan 8.310 nan 0.000 0.465 349 A N 0.739 123.545 122.820 -0.025 0.000 2.533 349 A HA 1.000 5.321 4.320 0.003 0.000 0.293 349 A C -0.766 176.898 177.584 0.132 0.000 1.228 349 A CA -0.993 51.115 52.037 0.117 0.000 0.689 349 A CB 1.538 20.720 19.000 0.303 0.000 1.303 349 A HN 1.304 nan 8.150 nan 0.000 0.444 350 R N -1.051 119.625 120.500 0.294 0.000 3.513 350 R HA 0.553 4.894 4.340 0.003 0.000 0.243 350 R C -1.775 174.750 176.300 0.376 0.000 1.033 350 R CA 0.228 56.495 56.100 0.278 0.000 1.083 350 R CB 1.274 31.627 30.300 0.088 0.000 1.246 350 R HN 1.059 nan 8.270 nan 0.000 0.526 351 T N 1.454 116.280 114.554 0.454 0.000 2.733 351 T HA 0.240 4.592 4.350 0.003 0.000 0.312 351 T C -1.148 173.715 174.700 0.272 0.000 1.590 351 T CA -0.465 61.806 62.100 0.284 0.000 1.005 351 T CB 1.364 70.315 68.868 0.139 0.000 1.528 351 T HN 0.300 nan 8.240 nan 0.000 0.496 352 V N 2.556 122.566 119.914 0.159 0.000 2.814 352 V HA 0.211 4.333 4.120 0.003 0.000 0.307 352 V C 0.485 176.697 176.094 0.197 0.000 1.089 352 V CA 0.384 62.770 62.300 0.143 0.000 1.212 352 V CB -0.233 31.647 31.823 0.095 0.000 0.912 352 V HN 0.651 nan 8.190 nan 0.000 0.497 353 I N 2.049 122.746 120.570 0.211 0.000 2.648 353 I HA 0.933 5.105 4.170 0.003 0.000 0.304 353 I C -0.089 176.158 176.117 0.216 0.000 1.009 353 I CA -0.260 61.194 61.300 0.257 0.000 1.114 353 I CB 2.328 40.514 38.000 0.309 0.000 1.293 353 I HN 0.634 nan 8.210 nan 0.000 0.449 354 S N 2.177 117.838 115.700 -0.065 0.000 2.579 354 S HA 0.789 5.260 4.470 0.003 0.000 0.272 354 S C -0.285 173.752 174.600 -0.938 0.000 1.141 354 S CA -0.693 57.138 58.200 -0.615 0.000 0.843 354 S CB 1.054 64.068 63.200 -0.311 0.000 1.122 354 S HN 1.127 nan 8.310 nan 0.000 0.468 355 G N -0.195 107.771 108.800 -1.390 0.000 2.507 355 G HA2 0.535 4.497 3.960 0.003 0.000 0.271 355 G HA3 0.535 4.497 3.960 0.003 0.000 0.271 355 G C -1.278 173.408 174.900 -0.357 0.000 1.189 355 G CA -0.189 44.402 45.100 -0.849 0.000 0.859 355 G HN 0.667 nan 8.290 nan 0.000 0.542 356 D N 1.174 121.468 120.400 -0.176 0.000 2.375 356 D HA 0.289 4.930 4.640 0.003 0.000 0.241 356 D C -1.909 174.365 176.300 -0.043 0.000 1.361 356 D CA -1.462 52.474 54.000 -0.107 0.000 0.995 356 D CB 2.309 43.050 40.800 -0.098 0.000 1.312 356 D HN -0.004 nan 8.370 nan 0.000 0.576 357 P HA -0.000 nan 4.420 nan 0.000 0.223 357 P C 0.417 177.715 177.300 -0.004 0.000 1.144 357 P CA 0.753 63.845 63.100 -0.012 0.000 0.783 357 P CB 0.383 32.069 31.700 -0.024 0.000 0.771 358 N N -1.475 117.228 118.700 0.005 0.000 2.235 358 N HA 0.168 4.910 4.740 0.003 0.000 0.231 358 N C 0.101 175.631 175.510 0.033 0.000 1.177 358 N CA -0.038 53.036 53.050 0.040 0.000 0.874 358 N CB 0.675 39.207 38.487 0.075 0.000 1.097 358 N HN 0.214 nan 8.380 nan 0.000 0.518 359 L N 0.589 121.821 121.223 0.015 0.000 2.387 359 L HA 0.297 4.639 4.340 0.003 0.000 0.266 359 L C 0.585 177.475 176.870 0.034 0.000 1.059 359 L CA -0.567 54.282 54.840 0.015 0.000 0.801 359 L CB 1.227 43.283 42.059 -0.005 0.000 1.223 359 L HN -0.114 nan 8.230 nan 0.000 0.456 360 E N 0.790 121.011 120.200 0.035 0.000 2.283 360 E HA 0.085 4.437 4.350 0.003 0.000 0.267 360 E C 0.541 177.166 176.600 0.042 0.000 1.045 360 E CA -0.398 56.029 56.400 0.045 0.000 0.884 360 E CB 1.735 31.459 29.700 0.041 0.000 1.106 360 E HN 0.394 nan 8.360 nan 0.000 0.408 361 L N 2.428 123.670 121.223 0.031 0.000 1.989 361 L HA -0.210 4.132 4.340 0.003 0.000 0.211 361 L C 1.461 178.317 176.870 -0.023 0.000 1.071 361 L CA 2.175 57.004 54.840 -0.019 0.000 0.749 361 L CB -0.321 41.686 42.059 -0.087 0.000 0.890 361 L HN 0.535 nan 8.230 nan 0.000 0.431 362 D N -1.419 118.948 120.400 -0.054 0.000 2.363 362 D HA -0.095 4.546 4.640 0.003 0.000 0.226 362 D C 0.742 177.044 176.300 0.002 0.000 1.020 362 D CA 0.217 54.131 54.000 -0.143 0.000 0.892 362 D CB -0.251 40.471 40.800 -0.131 0.000 0.900 362 D HN 0.524 nan 8.370 nan 0.000 0.531 363 Q N -0.525 119.337 119.800 0.103 0.000 2.162 363 Q HA 0.580 4.922 4.340 0.003 0.000 0.197 363 Q C -0.962 175.107 176.000 0.115 0.000 1.013 363 Q CA -0.926 54.940 55.803 0.106 0.000 1.040 363 Q CB 2.361 31.122 28.738 0.038 0.000 1.114 363 Q HN -0.003 nan 8.270 nan 0.000 0.547 364 V N -0.180 119.705 119.914 -0.048 0.000 2.809 364 V HA 0.368 4.490 4.120 0.003 0.000 0.290 364 V C -1.108 174.916 176.094 -0.117 0.000 1.305 364 V CA -0.447 61.716 62.300 -0.229 0.000 0.939 364 V CB 1.738 33.253 31.823 -0.514 0.000 1.081 364 V HN 0.817 nan 8.190 nan 0.000 0.439 365 G N 4.949 113.698 108.800 -0.085 0.000 2.358 365 G HA2 0.515 4.477 3.960 0.003 0.000 0.273 365 G HA3 0.515 4.477 3.960 0.003 0.000 0.273 365 G C -0.716 174.166 174.900 -0.030 0.000 1.215 365 G CA -0.142 44.926 45.100 -0.054 0.000 0.910 365 G HN 0.887 nan 8.290 nan 0.000 0.467 366 V N 6.081 125.957 119.914 -0.064 0.000 2.380 366 V HA 0.246 4.368 4.120 0.003 0.000 0.286 366 V C -2.099 173.902 176.094 -0.156 0.000 1.015 366 V CA -1.599 60.634 62.300 -0.112 0.000 0.834 366 V CB 2.079 33.913 31.823 0.020 0.000 1.009 366 V HN 0.576 nan 8.190 nan 0.000 0.428 367 P HA 0.096 nan 4.420 nan 0.000 0.264 367 P C 0.691 177.929 177.300 -0.104 0.000 1.183 367 P CA 0.090 63.095 63.100 -0.157 0.000 0.763 367 P CB 0.678 32.263 31.700 -0.192 0.000 0.807 368 K N 1.570 121.921 120.400 -0.083 0.000 2.052 368 K HA -0.251 4.071 4.320 0.003 0.000 0.215 368 K C 2.163 178.778 176.600 0.025 0.000 1.053 368 K CA 2.172 58.428 56.287 -0.051 0.000 0.934 368 K CB -0.932 31.545 32.500 -0.039 0.000 0.717 368 K HN 0.365 nan 8.250 nan 0.000 0.450 369 S N 0.755 116.454 115.700 -0.002 0.000 2.412 369 S HA -0.262 4.209 4.470 0.003 0.000 0.246 369 S C 1.861 176.470 174.600 0.015 0.000 1.073 369 S CA 1.968 60.171 58.200 0.004 0.000 1.186 369 S CB -0.397 62.784 63.200 -0.031 0.000 1.084 369 S HN 0.277 nan 8.310 nan 0.000 0.434 370 I N 1.395 121.954 120.570 -0.019 0.000 2.163 370 I HA -0.156 4.015 4.170 0.003 0.000 0.240 370 I C 2.801 178.952 176.117 0.058 0.000 1.081 370 I CA 1.193 62.494 61.300 0.001 0.000 1.353 370 I CB -0.829 37.145 38.000 -0.044 0.000 1.054 370 I HN 0.417 nan 8.210 nan 0.000 0.407 371 A N 0.593 123.463 122.820 0.083 0.000 2.084 371 A HA -0.248 4.073 4.320 0.003 0.000 0.221 371 A C 2.298 180.036 177.584 0.255 0.000 1.161 371 A CA 1.702 53.850 52.037 0.186 0.000 0.653 371 A CB -0.564 18.564 19.000 0.213 0.000 0.802 371 A HN 0.375 nan 8.150 nan 0.000 0.457 372 K N -1.290 119.240 120.400 0.216 0.000 2.228 372 K HA -0.050 4.271 4.320 0.003 0.000 0.202 372 K C 1.592 178.102 176.600 -0.150 0.000 1.051 372 K CA 1.547 57.955 56.287 0.201 0.000 0.960 372 K CB 0.020 32.648 32.500 0.212 0.000 0.743 372 K HN 0.617 nan 8.250 nan 0.000 0.458 373 T N 0.375 114.900 114.554 -0.048 0.000 3.033 373 T HA 0.158 4.509 4.350 0.003 0.000 0.248 373 T C 0.707 175.394 174.700 -0.022 0.000 1.040 373 T CA -0.059 62.009 62.100 -0.054 0.000 1.133 373 T CB 0.152 69.013 68.868 -0.011 0.000 0.895 373 T HN -0.045 nan 8.240 nan 0.000 0.465 374 L N 2.239 123.486 121.223 0.041 0.000 2.410 374 L HA 0.420 4.761 4.340 0.003 0.000 0.273 374 L C 0.454 177.403 176.870 0.131 0.000 1.152 374 L CA -0.133 54.787 54.840 0.134 0.000 0.855 374 L CB 0.657 42.820 42.059 0.172 0.000 1.129 374 L HN 0.063 nan 8.230 nan 0.000 0.463 375 T N 2.138 116.824 114.554 0.221 0.000 2.863 375 T HA 0.415 4.766 4.350 0.003 0.000 0.285 375 T C -1.295 173.492 174.700 0.146 0.000 1.009 375 T CA -0.405 61.792 62.100 0.162 0.000 0.989 375 T CB 0.779 69.718 68.868 0.118 0.000 1.004 375 T HN 0.384 nan 8.240 nan 0.000 0.455 376 Y N 6.055 126.359 120.300 0.007 0.000 2.388 376 Y HA 0.507 5.058 4.550 0.002 0.000 0.328 376 Y C -2.528 173.352 175.900 -0.034 0.000 0.963 376 Y CA -2.628 55.439 58.100 -0.054 0.000 1.240 376 Y CB 1.279 39.728 38.460 -0.018 0.000 1.118 376 Y HN 0.489 nan 8.280 nan 0.000 0.484 377 P HA -0.127 nan 4.420 nan 0.000 0.252 377 P C -0.956 175.824 177.300 -0.867 0.000 1.147 377 P CA 0.950 63.692 63.100 -0.597 0.000 0.779 377 P CB 0.190 31.585 31.700 -0.508 0.000 0.733 378 E N 2.727 122.713 120.200 -0.358 0.000 2.275 378 E HA 0.369 4.720 4.350 0.003 0.000 0.270 378 E C -1.152 175.454 176.600 0.009 0.000 0.882 378 E CA -0.893 55.442 56.400 -0.109 0.000 0.758 378 E CB 1.392 31.172 29.700 0.133 0.000 1.195 378 E HN -0.011 nan 8.360 nan 0.000 0.419 379 V N 3.407 123.353 119.914 0.053 0.000 2.686 379 V HA 0.184 4.306 4.120 0.003 0.000 0.295 379 V C 0.103 176.275 176.094 0.130 0.000 1.057 379 V CA -0.774 61.582 62.300 0.092 0.000 1.012 379 V CB 1.571 33.450 31.823 0.092 0.000 1.006 379 V HN 0.553 nan 8.190 nan 0.000 0.477 380 V N 3.634 123.636 119.914 0.147 0.000 2.439 380 V HA 0.281 4.403 4.120 0.003 0.000 0.271 380 V C 0.469 176.676 176.094 0.188 0.000 1.040 380 V CA 0.436 62.821 62.300 0.140 0.000 1.002 380 V CB 0.864 32.743 31.823 0.095 0.000 1.000 380 V HN 1.017 nan 8.190 nan 0.000 0.477 381 T N 6.675 121.340 114.554 0.185 0.000 2.876 381 T HA 0.467 4.819 4.350 0.003 0.000 0.289 381 T C -2.009 172.754 174.700 0.106 0.000 1.014 381 T CA -1.931 60.263 62.100 0.158 0.000 0.986 381 T CB 2.138 71.115 68.868 0.182 0.000 1.021 381 T HN 0.396 nan 8.240 nan 0.000 0.458 382 P HA -0.057 nan 4.420 nan 0.000 0.222 382 P C 0.468 177.714 177.300 -0.090 0.000 1.142 382 P CA 1.174 64.270 63.100 -0.006 0.000 0.788 382 P CB -0.166 31.345 31.700 -0.314 0.000 0.767 383 Y N 0.261 120.615 120.300 0.090 0.000 2.293 383 Y HA -0.160 4.392 4.550 0.002 0.000 0.291 383 Y C 2.050 177.989 175.900 0.064 0.000 1.137 383 Y CA 1.077 59.214 58.100 0.063 0.000 1.202 383 Y CB -0.892 37.598 38.460 0.049 0.000 0.990 383 Y HN 0.169 nan 8.280 nan 0.000 0.537 384 N N -0.705 118.113 118.700 0.195 0.000 2.273 384 N HA 0.005 4.746 4.740 0.003 0.000 0.192 384 N C 1.202 176.762 175.510 0.083 0.000 1.132 384 N CA 0.218 53.350 53.050 0.136 0.000 0.887 384 N CB -0.865 37.707 38.487 0.142 0.000 1.048 384 N HN 0.276 nan 8.380 nan 0.000 0.490 385 I N 1.304 121.912 120.570 0.063 0.000 2.113 385 I HA -0.366 3.806 4.170 0.003 0.000 0.242 385 I C 1.228 177.346 176.117 0.003 0.000 1.057 385 I CA 1.912 63.214 61.300 0.004 0.000 1.314 385 I CB -0.341 37.630 38.000 -0.049 0.000 1.022 385 I HN 0.112 nan 8.210 nan 0.000 0.408 386 D N 0.065 120.476 120.400 0.018 0.000 2.116 386 D HA -0.221 4.421 4.640 0.003 0.000 0.193 386 D C 2.217 178.524 176.300 0.013 0.000 0.998 386 D CA 1.305 55.312 54.000 0.011 0.000 0.836 386 D CB -0.355 40.457 40.800 0.021 0.000 0.951 386 D HN 0.309 nan 8.370 nan 0.000 0.449 387 R N 0.196 120.713 120.500 0.028 0.000 2.062 387 R HA -0.014 4.327 4.340 0.003 0.000 0.229 387 R C 2.530 178.843 176.300 0.020 0.000 1.128 387 R CA 0.503 56.618 56.100 0.025 0.000 0.960 387 R CB -0.322 30.000 30.300 0.037 0.000 0.855 387 R HN 0.160 nan 8.270 nan 0.000 0.432 388 L N 0.130 121.372 121.223 0.031 0.000 1.970 388 L HA -0.210 4.132 4.340 0.003 0.000 0.212 388 L C 2.430 179.307 176.870 0.012 0.000 1.071 388 L CA 2.092 56.951 54.840 0.032 0.000 0.751 388 L CB -0.741 41.346 42.059 0.047 0.000 0.889 388 L HN 0.310 nan 8.230 nan 0.000 0.432 389 T N -1.279 113.272 114.554 -0.006 0.000 2.737 389 T HA -0.315 4.036 4.350 0.003 0.000 0.269 389 T C 1.708 176.399 174.700 -0.014 0.000 1.040 389 T CA 1.724 63.812 62.100 -0.020 0.000 1.142 389 T CB -0.257 68.584 68.868 -0.045 0.000 0.861 389 T HN 0.295 nan 8.240 nan 0.000 0.456 390 Q N 0.856 120.649 119.800 -0.012 0.000 2.050 390 Q HA -0.038 4.303 4.340 0.003 0.000 0.202 390 Q C 2.073 178.059 176.000 -0.023 0.000 0.980 390 Q CA 1.423 57.216 55.803 -0.016 0.000 0.840 390 Q CB -0.592 28.139 28.738 -0.013 0.000 0.898 390 Q HN 0.516 nan 8.270 nan 0.000 0.424 391 L N -0.764 120.447 121.223 -0.021 0.000 1.976 391 L HA -0.191 4.151 4.340 0.003 0.000 0.209 391 L C 2.363 179.217 176.870 -0.027 0.000 1.071 391 L CA 1.184 56.001 54.840 -0.038 0.000 0.746 391 L CB -0.854 41.191 42.059 -0.024 0.000 0.890 391 L HN 0.113 nan 8.230 nan 0.000 0.432 392 V N 0.070 119.987 119.914 0.004 0.000 2.223 392 V HA -0.442 3.680 4.120 0.003 0.000 0.253 392 V C 2.669 178.761 176.094 -0.004 0.000 1.061 392 V CA 2.396 64.706 62.300 0.017 0.000 1.035 392 V CB -0.697 31.144 31.823 0.030 0.000 0.653 392 V HN 0.435 nan 8.190 nan 0.000 0.454 393 R N -0.218 120.275 120.500 -0.011 0.000 2.127 393 R HA -0.180 4.161 4.340 0.003 0.000 0.238 393 R C 2.230 178.514 176.300 -0.028 0.000 1.134 393 R CA 1.433 57.522 56.100 -0.018 0.000 0.975 393 R CB -0.588 29.701 30.300 -0.018 0.000 0.865 393 R HN 0.522 nan 8.270 nan 0.000 0.447 394 N N 0.602 119.279 118.700 -0.039 0.000 2.272 394 N HA -0.100 4.642 4.740 0.003 0.000 0.185 394 N C 0.483 175.957 175.510 -0.061 0.000 1.014 394 N CA 1.456 54.474 53.050 -0.055 0.000 0.870 394 N CB -0.006 38.433 38.487 -0.080 0.000 0.975 394 N HN 0.352 nan 8.380 nan 0.000 0.433 395 G N -0.305 108.463 108.800 -0.054 0.000 2.716 395 G HA2 -0.150 3.811 3.960 0.003 0.000 0.686 395 G HA3 -0.150 3.811 3.960 0.003 0.000 0.686 395 G C -2.288 172.589 174.900 -0.039 0.000 1.337 395 G CA -0.407 44.667 45.100 -0.043 0.000 0.829 395 G HN 0.112 nan 8.290 nan 0.000 0.599 396 P HA 0.064 nan 4.420 nan 0.000 0.259 396 P C 0.946 178.329 177.300 0.138 0.000 1.307 396 P CA 0.759 63.952 63.100 0.155 0.000 0.768 396 P CB 0.045 31.794 31.700 0.081 0.000 1.199 397 N N -1.245 117.474 118.700 0.032 0.000 2.419 397 N HA 0.027 4.768 4.740 0.003 0.000 0.216 397 N C 0.310 175.830 175.510 0.017 0.000 1.118 397 N CA 0.125 53.197 53.050 0.037 0.000 0.850 397 N CB 0.507 38.999 38.487 0.008 0.000 1.292 397 N HN 0.202 nan 8.380 nan 0.000 0.467 398 E N 0.570 120.750 120.200 -0.033 0.000 2.289 398 E HA 0.010 4.362 4.350 0.003 0.000 0.278 398 E C 0.795 177.345 176.600 -0.084 0.000 1.032 398 E CA -0.155 56.226 56.400 -0.032 0.000 0.854 398 E CB 1.060 30.735 29.700 -0.042 0.000 1.046 398 E HN 0.188 nan 8.360 nan 0.000 0.409 399 H N 4.878 123.903 119.070 -0.074 0.000 2.255 399 H HA -0.113 4.444 4.556 0.002 0.000 0.290 399 H C -1.449 173.758 175.328 -0.201 0.000 1.087 399 H CA 1.716 57.716 56.048 -0.081 0.000 1.213 399 H CB -0.820 28.934 29.762 -0.012 0.000 1.349 399 H HN 0.397 nan 8.280 nan 0.000 0.487 400 P HA 0.205 nan 4.420 nan 0.000 0.259 400 P C -0.431 176.614 177.300 -0.425 0.000 1.635 400 P CA 0.771 63.573 63.100 -0.496 0.000 1.199 400 P CB 0.538 32.128 31.700 -0.183 0.000 1.850 401 G N 0.933 109.301 108.800 -0.721 0.000 2.975 401 G HA2 0.835 4.796 3.960 0.003 0.000 0.291 401 G HA3 0.835 4.796 3.960 0.003 0.000 0.291 401 G C -1.813 172.847 174.900 -0.400 0.000 1.334 401 G CA -0.831 43.892 45.100 -0.629 0.000 0.843 401 G HN 0.373 nan 8.290 nan 0.000 0.548 402 A N 0.167 123.029 122.820 0.070 0.000 2.560 402 A HA 0.621 4.943 4.320 0.003 0.000 0.300 402 A C -1.000 176.734 177.584 0.249 0.000 1.062 402 A CA -0.718 51.525 52.037 0.342 0.000 0.767 402 A CB 1.479 20.592 19.000 0.189 0.000 1.288 402 A HN 0.931 nan 8.150 nan 0.000 0.396 403 K N 1.691 122.250 120.400 0.264 0.000 2.164 403 K HA 0.739 5.061 4.320 0.003 0.000 0.258 403 K C -1.088 175.740 176.600 0.380 0.000 0.951 403 K CA -0.320 56.091 56.287 0.207 0.000 0.844 403 K CB 0.953 33.588 32.500 0.226 0.000 1.099 403 K HN 1.162 nan 8.250 nan 0.000 0.435 404 Y N -1.753 118.573 120.300 0.043 0.000 2.545 404 Y HA -0.198 4.356 4.550 0.006 0.000 0.022 404 Y C -0.840 175.083 175.900 0.040 0.000 1.744 404 Y CA -0.309 57.813 58.100 0.037 0.000 1.392 404 Y CB -0.882 37.598 38.460 0.032 0.000 2.040 404 Y HN 0.427 nan 8.280 nan 0.000 0.260 405 V N 5.116 125.130 119.914 0.167 0.000 2.612 405 V HA 0.537 4.659 4.120 0.003 0.000 0.301 405 V C -0.471 175.626 176.094 0.005 0.000 1.059 405 V CA -0.830 61.541 62.300 0.118 0.000 0.886 405 V CB 1.920 33.835 31.823 0.154 0.000 1.007 405 V HN 0.521 nan 8.190 nan 0.000 0.426 406 I N 5.694 126.238 120.570 -0.043 0.000 2.321 406 I HA 0.497 4.669 4.170 0.003 0.000 0.291 406 I C 0.648 176.482 176.117 -0.471 0.000 0.998 406 I CA -0.007 61.184 61.300 -0.181 0.000 1.227 406 I CB 1.066 39.006 38.000 -0.099 0.000 1.368 406 I HN 0.508 nan 8.210 nan 0.000 0.466 407 R N 3.772 123.827 120.500 -0.742 0.000 2.549 407 R HA 0.267 4.609 4.340 0.003 0.000 0.259 407 R C 0.472 176.354 176.300 -0.697 0.000 1.095 407 R CA -0.866 54.409 56.100 -1.375 0.000 1.148 407 R CB 0.581 30.141 30.300 -1.232 0.000 1.181 407 R HN 0.491 nan 8.270 nan 0.000 0.571 408 D N 0.307 120.389 120.400 -0.531 0.000 2.106 408 D HA -0.131 4.511 4.640 0.003 0.000 0.191 408 D C 1.389 177.626 176.300 -0.106 0.000 0.997 408 D CA 1.792 55.717 54.000 -0.125 0.000 0.834 408 D CB -0.158 40.687 40.800 0.075 0.000 0.956 408 D HN 0.312 nan 8.370 nan 0.000 0.448 409 S N -1.163 114.466 115.700 -0.120 0.000 2.607 409 S HA 0.202 4.673 4.470 0.003 0.000 0.224 409 S C 1.246 175.793 174.600 -0.087 0.000 0.969 409 S CA 0.717 58.871 58.200 -0.077 0.000 0.927 409 S CB 0.355 63.522 63.200 -0.055 0.000 0.772 409 S HN 0.507 nan 8.310 nan 0.000 0.533 410 G N 2.265 110.984 108.800 -0.135 0.000 2.203 410 G HA2 -0.153 3.809 3.960 0.003 0.000 0.231 410 G HA3 -0.153 3.809 3.960 0.003 0.000 0.231 410 G C -0.738 174.102 174.900 -0.100 0.000 1.058 410 G CA -0.296 44.740 45.100 -0.107 0.000 0.781 410 G HN 0.416 nan 8.290 nan 0.000 0.496 411 D N -0.660 119.651 120.400 -0.148 0.000 2.388 411 D HA 0.627 5.269 4.640 0.003 0.000 0.254 411 D C 0.688 176.935 176.300 -0.087 0.000 1.111 411 D CA -0.416 53.518 54.000 -0.109 0.000 0.993 411 D CB 0.889 41.609 40.800 -0.133 0.000 1.118 411 D HN 0.259 nan 8.370 nan 0.000 0.502 412 R N 0.664 121.149 120.500 -0.024 0.000 2.472 412 R HA 0.296 4.637 4.340 0.003 0.000 0.294 412 R C -1.125 175.209 176.300 0.057 0.000 1.243 412 R CA -0.677 55.455 56.100 0.054 0.000 1.023 412 R CB 0.195 30.572 30.300 0.128 0.000 1.157 412 R HN 0.194 nan 8.270 nan 0.000 0.530 413 I N 3.124 123.711 120.570 0.028 0.000 2.294 413 I HA 0.061 4.233 4.170 0.003 0.000 0.295 413 I C 0.236 176.305 176.117 -0.080 0.000 1.098 413 I CA -0.311 60.986 61.300 -0.005 0.000 1.277 413 I CB 0.648 38.656 38.000 0.014 0.000 1.434 413 I HN 0.318 nan 8.210 nan 0.000 0.498 414 D N 6.563 126.876 120.400 -0.144 0.000 2.344 414 D HA 0.096 4.737 4.640 0.003 0.000 0.253 414 D C 0.946 177.115 176.300 -0.219 0.000 1.255 414 D CA 0.032 53.819 54.000 -0.355 0.000 0.894 414 D CB 0.901 41.589 40.800 -0.187 0.000 1.067 414 D HN 0.427 nan 8.370 nan 0.000 0.492 415 L N 3.538 124.586 121.223 -0.291 0.000 2.610 415 L HA 0.081 4.423 4.340 0.003 0.000 0.232 415 L C 2.213 178.927 176.870 -0.261 0.000 1.149 415 L CA 0.114 54.846 54.840 -0.181 0.000 0.872 415 L CB -0.065 41.935 42.059 -0.100 0.000 0.992 415 L HN 0.264 nan 8.230 nan 0.000 0.447 416 R N -0.761 119.446 120.500 -0.488 0.000 2.275 416 R HA -0.004 4.337 4.340 0.003 0.000 0.199 416 R C 0.142 175.816 176.300 -1.044 0.000 0.989 416 R CA 0.764 56.351 56.100 -0.854 0.000 1.016 416 R CB 0.368 29.923 30.300 -1.242 0.000 0.918 416 R HN 0.314 nan 8.270 nan 0.000 0.473 417 Y N -2.531 117.728 120.300 -0.069 0.000 2.519 417 Y HA 0.196 4.744 4.550 -0.004 0.000 0.205 417 Y C 0.354 176.227 175.900 -0.045 0.000 2.245 417 Y CA -0.318 57.753 58.100 -0.048 0.000 1.053 417 Y CB -0.569 37.863 38.460 -0.045 0.000 2.351 417 Y HN 0.010 nan 8.280 nan 0.000 0.340 418 S N 0.988 116.811 115.700 0.206 0.000 3.716 418 S HA -0.245 4.227 4.470 0.003 0.000 0.741 418 S C 0.455 175.089 174.600 0.056 0.000 1.683 418 S CA 1.018 59.270 58.200 0.087 0.000 1.667 418 S CB -0.629 62.606 63.200 0.059 0.000 0.373 418 S HN 1.035 nan 8.310 nan 0.000 0.933 419 K N 0.896 121.317 120.400 0.035 0.000 2.202 419 K HA 0.195 4.517 4.320 0.003 0.000 0.201 419 K C 1.692 178.304 176.600 0.021 0.000 1.051 419 K CA 0.536 56.838 56.287 0.025 0.000 0.977 419 K CB -0.067 32.445 32.500 0.019 0.000 0.792 419 K HN 0.582 nan 8.250 nan 0.000 0.469 420 R N 0.826 121.341 120.500 0.024 0.000 2.752 420 R HA 0.255 4.597 4.340 0.003 0.000 0.279 420 R C 1.074 177.388 176.300 0.024 0.000 1.212 420 R CA 0.078 56.192 56.100 0.025 0.000 1.169 420 R CB 0.510 30.831 30.300 0.034 0.000 1.286 420 R HN 0.322 nan 8.270 nan 0.000 0.564 421 A N -0.054 122.775 122.820 0.015 0.000 2.066 421 A HA 0.001 4.322 4.320 0.003 0.000 0.218 421 A C 1.969 179.554 177.584 0.000 0.000 1.157 421 A CA 1.380 53.420 52.037 0.005 0.000 0.670 421 A CB -0.042 18.952 19.000 -0.011 0.000 0.804 421 A HN 0.456 nan 8.150 nan 0.000 0.453 422 G N -0.922 107.878 108.800 0.000 0.000 2.662 422 G HA2 0.165 4.126 3.960 0.003 0.000 0.212 422 G HA3 0.165 4.126 3.960 0.003 0.000 0.212 422 G C 0.581 175.480 174.900 -0.002 0.000 1.141 422 G CA 0.735 45.833 45.100 -0.004 0.000 0.797 422 G HN 0.547 nan 8.290 nan 0.000 0.531 423 D N -0.932 119.470 120.400 0.003 0.000 2.430 423 D HA 0.539 5.180 4.640 0.003 0.000 0.285 423 D C 0.043 176.348 176.300 0.009 0.000 1.210 423 D CA -0.302 53.700 54.000 0.002 0.000 1.080 423 D CB 0.833 41.638 40.800 0.008 0.000 1.134 423 D HN 0.010 nan 8.370 nan 0.000 0.562 424 I N -0.395 120.181 120.570 0.010 0.000 6.757 424 I HA -0.144 4.028 4.170 0.003 0.000 0.310 424 I C -1.712 174.383 176.117 -0.036 0.000 1.830 424 I CA -0.167 61.147 61.300 0.024 0.000 2.037 424 I CB -0.071 37.963 38.000 0.056 0.000 3.539 424 I HN 0.335 nan 8.210 nan 0.000 0.169 425 Q N 7.916 127.660 119.800 -0.093 0.000 2.425 425 Q HA 0.511 4.853 4.340 0.003 0.000 0.254 425 Q C -0.769 175.001 176.000 -0.383 0.000 1.032 425 Q CA -0.561 55.124 55.803 -0.196 0.000 0.798 425 Q CB 1.887 30.514 28.738 -0.186 0.000 1.210 425 Q HN 0.515 nan 8.270 nan 0.000 0.491 426 L N 4.375 125.403 121.223 -0.325 0.000 2.433 426 L HA 0.045 4.386 4.340 0.003 0.000 0.275 426 L C 0.968 177.475 176.870 -0.606 0.000 1.128 426 L CA 0.014 54.598 54.840 -0.428 0.000 0.875 426 L CB 0.168 42.105 42.059 -0.204 0.000 1.171 426 L HN 0.450 nan 8.230 nan 0.000 0.463 427 Q N 3.707 122.959 119.800 -0.914 0.000 2.252 427 Q HA 0.331 4.672 4.340 0.003 0.000 0.256 427 Q C -0.956 174.652 176.000 -0.653 0.000 1.020 427 Q CA -0.878 54.412 55.803 -0.854 0.000 0.913 427 Q CB 0.745 29.069 28.738 -0.690 0.000 1.286 427 Q HN 0.354 nan 8.270 nan 0.000 0.480 428 Y N -0.611 119.579 120.300 -0.183 0.000 2.497 428 Y HA 0.372 4.925 4.550 0.004 0.000 0.334 428 Y C 1.670 177.594 175.900 0.041 0.000 1.199 428 Y CA 1.250 59.313 58.100 -0.061 0.000 1.425 428 Y CB 0.411 38.836 38.460 -0.059 0.000 1.291 428 Y HN 0.938 nan 8.280 nan 0.000 0.562 429 G N -0.088 108.868 108.800 0.260 0.000 2.254 429 G HA2 -0.252 3.710 3.960 0.003 0.000 0.225 429 G HA3 -0.252 3.710 3.960 0.003 0.000 0.225 429 G C -0.138 174.968 174.900 0.342 0.000 1.003 429 G CA -0.528 44.731 45.100 0.265 0.000 0.622 429 G HN 0.531 nan 8.290 nan 0.000 0.507 430 W N 1.326 122.645 121.300 0.031 0.000 2.086 430 W HA 0.716 5.376 4.660 0.000 0.000 0.355 430 W C 0.833 177.361 176.519 0.016 0.000 1.313 430 W CA -0.333 57.021 57.345 0.015 0.000 1.358 430 W CB 0.400 29.858 29.460 -0.003 0.000 1.166 430 W HN 0.029 nan 8.180 nan 0.000 0.630 431 K N 0.548 121.066 120.400 0.196 0.000 2.316 431 K HA 0.600 4.921 4.320 0.003 0.000 0.251 431 K C -1.370 175.299 176.600 0.115 0.000 0.934 431 K CA -1.005 55.347 56.287 0.107 0.000 0.802 431 K CB 2.474 34.985 32.500 0.018 0.000 1.171 431 K HN 0.055 nan 8.250 nan 0.000 0.426 432 V N 2.336 122.308 119.914 0.098 0.000 2.459 432 V HA 0.157 4.278 4.120 0.003 0.000 0.295 432 V C -0.314 175.826 176.094 0.076 0.000 1.029 432 V CA -0.635 61.728 62.300 0.107 0.000 0.874 432 V CB 1.606 33.495 31.823 0.111 0.000 0.985 432 V HN 0.724 nan 8.190 nan 0.000 0.438 433 E N 5.187 125.448 120.200 0.102 0.000 2.127 433 E HA 0.197 4.549 4.350 0.003 0.000 0.262 433 E C 0.099 176.790 176.600 0.151 0.000 1.144 433 E CA -0.356 56.094 56.400 0.084 0.000 1.144 433 E CB 0.333 30.075 29.700 0.070 0.000 1.297 433 E HN 0.594 nan 8.360 nan 0.000 0.469 434 R N 0.751 121.351 120.500 0.167 0.000 2.801 434 R HA 0.218 4.560 4.340 0.003 0.000 0.273 434 R C 0.260 176.723 176.300 0.271 0.000 1.080 434 R CA -0.290 55.944 56.100 0.224 0.000 1.197 434 R CB 0.482 30.890 30.300 0.179 0.000 1.109 434 R HN 0.367 nan 8.270 nan 0.000 0.535 435 H N -0.339 118.760 119.070 0.049 0.000 2.671 435 H HA 0.085 4.642 4.556 0.001 0.000 0.372 435 H C 0.097 175.473 175.328 0.079 0.000 1.227 435 H CA -0.624 55.455 56.048 0.052 0.000 1.426 435 H CB 0.731 30.462 29.762 -0.052 0.000 1.480 435 H HN 0.235 nan 8.280 nan 0.000 0.611 436 I N 1.730 122.448 120.570 0.247 0.000 2.556 436 I HA -0.035 4.137 4.170 0.003 0.000 0.284 436 I C 0.307 176.575 176.117 0.251 0.000 1.114 436 I CA 0.978 62.400 61.300 0.204 0.000 1.418 436 I CB 0.189 38.294 38.000 0.175 0.000 1.394 436 I HN 0.348 nan 8.210 nan 0.000 0.552 437 M N 3.584 123.285 119.600 0.168 0.000 2.821 437 M HA 0.369 4.851 4.480 0.003 0.000 0.304 437 M C -0.385 175.986 176.300 0.117 0.000 1.233 437 M CA -0.966 54.451 55.300 0.196 0.000 0.851 437 M CB 1.148 33.822 32.600 0.124 0.000 1.723 437 M HN 0.361 nan 8.290 nan 0.000 0.493 438 D N 1.723 122.186 120.400 0.106 0.000 2.478 438 D HA 0.023 4.664 4.640 0.003 0.000 0.234 438 D C -0.497 175.822 176.300 0.031 0.000 1.154 438 D CA 1.193 55.224 54.000 0.052 0.000 0.874 438 D CB 0.097 40.922 40.800 0.041 0.000 1.198 438 D HN 0.488 nan 8.370 nan 0.000 0.455 439 N N 1.657 120.367 118.700 0.018 0.000 2.573 439 N HA -0.190 4.552 4.740 0.003 0.000 0.280 439 N C -1.382 174.123 175.510 -0.008 0.000 1.187 439 N CA 0.799 53.852 53.050 0.006 0.000 0.717 439 N CB -0.603 37.886 38.487 0.004 0.000 0.899 439 N HN 0.393 nan 8.380 nan 0.000 0.546 440 D N -0.487 119.907 120.400 -0.010 0.000 2.552 440 D HA 0.507 5.148 4.640 0.003 0.000 0.239 440 D C -2.576 173.710 176.300 -0.023 0.000 1.139 440 D CA -1.412 52.565 54.000 -0.040 0.000 0.914 440 D CB 1.569 42.339 40.800 -0.050 0.000 1.461 440 D HN -0.067 nan 8.370 nan 0.000 0.462 441 P HA 0.184 nan 4.420 nan 0.000 0.275 441 P C -0.928 176.393 177.300 0.035 0.000 1.276 441 P CA -0.342 62.754 63.100 -0.007 0.000 0.782 441 P CB 0.387 32.070 31.700 -0.029 0.000 0.851 442 V N 2.470 122.431 119.914 0.078 0.000 2.656 442 V HA 0.476 4.598 4.120 0.003 0.000 0.307 442 V C -0.380 175.823 176.094 0.181 0.000 1.051 442 V CA -1.097 61.279 62.300 0.125 0.000 0.893 442 V CB 2.276 34.169 31.823 0.118 0.000 0.999 442 V HN 0.311 nan 8.190 nan 0.000 0.426 443 L N 4.598 125.946 121.223 0.209 0.000 2.276 443 L HA 0.618 4.959 4.340 0.003 0.000 0.286 443 L C -1.296 175.767 176.870 0.323 0.000 1.061 443 L CA -0.504 54.477 54.840 0.236 0.000 0.807 443 L CB 1.308 43.459 42.059 0.154 0.000 1.177 443 L HN 0.834 nan 8.230 nan 0.000 0.429 444 F N 6.577 126.602 119.950 0.125 0.000 2.810 444 F HA 0.341 4.870 4.527 0.002 0.000 0.373 444 F C -0.225 175.606 175.800 0.051 0.000 1.174 444 F CA -0.890 57.109 58.000 -0.001 0.000 1.141 444 F CB 0.539 39.465 39.000 -0.125 0.000 1.420 444 F HN 0.525 nan 8.300 nan 0.000 0.518 445 N N 4.508 123.073 118.700 -0.226 0.000 2.563 445 N HA 0.565 5.306 4.740 0.003 0.000 0.288 445 N C -1.440 173.878 175.510 -0.321 0.000 1.246 445 N CA -0.682 52.300 53.050 -0.112 0.000 0.946 445 N CB 2.260 40.763 38.487 0.027 0.000 1.213 445 N HN 0.684 nan 8.380 nan 0.000 0.578 446 R N 0.736 121.178 120.500 -0.097 0.000 2.508 446 R HA 0.167 4.509 4.340 0.003 0.000 0.283 446 R C -1.348 174.934 176.300 -0.030 0.000 1.120 446 R CA -0.416 55.609 56.100 -0.125 0.000 0.958 446 R CB 1.311 31.536 30.300 -0.125 0.000 1.215 446 R HN 0.634 nan 8.270 nan 0.000 0.427 447 Q N 3.063 122.834 119.800 -0.047 0.000 2.260 447 Q HA 0.380 4.722 4.340 0.003 0.000 0.242 447 Q C -2.219 173.766 176.000 -0.024 0.000 0.932 447 Q CA -1.494 54.293 55.803 -0.026 0.000 0.891 447 Q CB 0.869 29.592 28.738 -0.025 0.000 1.222 447 Q HN 0.422 nan 8.270 nan 0.000 0.453 448 P HA 0.109 nan 4.420 nan 0.000 0.282 448 P C -1.192 176.090 177.300 -0.030 0.000 1.274 448 P CA -0.516 62.567 63.100 -0.028 0.000 0.770 448 P CB 0.867 32.546 31.700 -0.035 0.000 0.867 449 S N 2.853 118.538 115.700 -0.024 0.000 2.701 449 S HA 0.251 4.723 4.470 0.003 0.000 0.317 449 S C 0.459 175.027 174.600 -0.052 0.000 1.149 449 S CA -0.576 57.614 58.200 -0.017 0.000 1.052 449 S CB -0.732 62.466 63.200 -0.004 0.000 1.257 449 S HN 0.327 nan 8.310 nan 0.000 0.532 450 L N -0.201 120.955 121.223 -0.111 0.000 3.141 450 L HA 0.644 4.985 4.340 0.003 0.000 0.267 450 L C -0.163 176.531 176.870 -0.293 0.000 1.281 450 L CA -0.364 54.358 54.840 -0.197 0.000 1.037 450 L CB -1.123 40.790 42.059 -0.242 0.000 1.407 450 L HN 0.666 nan 8.230 nan 0.000 0.566 451 H N -1.107 117.921 119.070 -0.070 0.000 2.966 451 H HA 0.399 4.956 4.556 0.003 0.000 0.330 451 H C 0.163 175.442 175.328 -0.082 0.000 1.292 451 H CA -0.757 55.239 56.048 -0.086 0.000 1.127 451 H CB 1.774 31.475 29.762 -0.102 0.000 1.863 451 H HN 0.012 nan 8.280 nan 0.000 0.543 452 K N 0.151 120.593 120.400 0.071 0.000 2.076 452 K HA -0.016 4.306 4.320 0.003 0.000 0.204 452 K C 1.302 177.878 176.600 -0.039 0.000 1.051 452 K CA 1.489 57.773 56.287 -0.004 0.000 0.949 452 K CB -0.024 32.456 32.500 -0.033 0.000 0.726 452 K HN 0.301 nan 8.250 nan 0.000 0.443 453 M N 1.775 121.307 119.600 -0.113 0.000 2.530 453 M HA -0.053 4.428 4.480 0.003 0.000 0.261 453 M C 1.719 177.850 176.300 -0.282 0.000 1.067 453 M CA 1.065 56.213 55.300 -0.254 0.000 1.071 453 M CB -0.271 32.072 32.600 -0.429 0.000 1.405 453 M HN 0.145 nan 8.290 nan 0.000 0.478 454 S N -0.647 115.018 115.700 -0.059 0.000 2.453 454 S HA 0.153 4.625 4.470 0.003 0.000 0.231 454 S C 0.795 175.440 174.600 0.075 0.000 1.005 454 S CA 0.719 58.919 58.200 -0.000 0.000 0.949 454 S CB -0.000 63.251 63.200 0.085 0.000 0.774 454 S HN 0.394 nan 8.310 nan 0.000 0.510 455 M N 1.773 121.396 119.600 0.039 0.000 2.043 455 M HA 0.448 4.930 4.480 0.003 0.000 0.322 455 M C -1.174 175.185 176.300 0.098 0.000 0.962 455 M CA 0.228 55.586 55.300 0.098 0.000 0.927 455 M CB 1.379 34.004 32.600 0.040 0.000 1.466 455 M HN 0.119 nan 8.290 nan 0.000 0.412 456 M N 1.687 121.425 119.600 0.230 0.000 2.619 456 M HA 0.686 5.168 4.480 0.003 0.000 0.297 456 M C -0.445 176.031 176.300 0.293 0.000 1.229 456 M CA -0.890 54.531 55.300 0.201 0.000 0.860 456 M CB 2.404 35.105 32.600 0.168 0.000 1.741 456 M HN 0.622 nan 8.290 nan 0.000 0.462 457 A N 1.243 124.151 122.820 0.146 0.000 2.331 457 A HA 0.602 4.923 4.320 0.003 0.000 0.283 457 A C -0.825 176.799 177.584 0.067 0.000 1.142 457 A CA -0.212 51.907 52.037 0.136 0.000 0.812 457 A CB 0.244 19.275 19.000 0.050 0.000 1.074 457 A HN 0.876 nan 8.150 nan 0.000 0.497 458 H N 0.729 119.828 119.070 0.049 0.000 2.864 458 H HA 0.481 5.039 4.556 0.003 0.000 0.354 458 H C -0.571 174.741 175.328 -0.026 0.000 1.208 458 H CA -0.769 55.272 56.048 -0.011 0.000 1.191 458 H CB 1.687 31.387 29.762 -0.104 0.000 1.889 458 H HN 0.693 nan 8.280 nan 0.000 0.574 459 R N 0.681 121.233 120.500 0.085 0.000 2.460 459 R HA 0.358 4.699 4.340 0.003 0.000 0.303 459 R C -0.827 175.490 176.300 0.028 0.000 0.968 459 R CA -0.750 55.371 56.100 0.035 0.000 0.889 459 R CB 1.690 32.000 30.300 0.016 0.000 1.123 459 R HN 0.215 nan 8.270 nan 0.000 0.455 460 V N 2.802 122.728 119.914 0.019 0.000 2.583 460 V HA 0.227 4.348 4.120 0.003 0.000 0.287 460 V C -0.030 176.067 176.094 0.006 0.000 1.051 460 V CA -0.315 61.993 62.300 0.014 0.000 1.010 460 V CB 1.108 32.952 31.823 0.034 0.000 0.988 460 V HN 0.596 nan 8.190 nan 0.000 0.478 461 K N 4.174 124.567 120.400 -0.012 0.000 2.616 461 K HA 0.463 4.785 4.320 0.003 0.000 0.241 461 K C -1.123 175.448 176.600 -0.049 0.000 0.961 461 K CA -0.415 55.859 56.287 -0.022 0.000 0.942 461 K CB 1.346 33.834 32.500 -0.021 0.000 1.153 461 K HN 0.449 nan 8.250 nan 0.000 0.452 462 V N 5.926 125.796 119.914 -0.072 0.000 2.599 462 V HA 0.170 4.291 4.120 0.003 0.000 0.300 462 V C 0.423 176.437 176.094 -0.134 0.000 1.034 462 V CA 0.136 62.349 62.300 -0.145 0.000 1.115 462 V CB -0.527 31.093 31.823 -0.339 0.000 0.934 462 V HN 0.694 nan 8.190 nan 0.000 0.485 463 I N 3.737 124.238 120.570 -0.115 0.000 3.174 463 I HA 0.757 4.928 4.170 0.003 0.000 0.313 463 I C -2.742 173.355 176.117 -0.033 0.000 1.155 463 I CA -2.831 58.425 61.300 -0.073 0.000 0.977 463 I CB 1.248 39.205 38.000 -0.070 0.000 1.248 463 I HN 0.300 nan 8.210 nan 0.000 0.453 464 P HA 0.288 nan 4.420 nan 0.000 0.282 464 P C -1.055 176.417 177.300 0.286 0.000 1.286 464 P CA 0.289 63.488 63.100 0.165 0.000 0.777 464 P CB 0.067 31.956 31.700 0.314 0.000 1.184 465 Y N -2.409 117.851 120.300 -0.067 0.000 2.930 465 Y HA -0.283 4.269 4.550 0.004 0.000 0.460 465 Y C 1.357 177.203 175.900 -0.089 0.000 1.220 465 Y CA 1.294 59.353 58.100 -0.068 0.000 2.375 465 Y CB -2.158 36.264 38.460 -0.064 0.000 1.258 465 Y HN 0.439 nan 8.280 nan 0.000 0.628 466 S N -2.640 113.112 115.700 0.088 0.000 2.937 466 S HA 0.355 4.827 4.470 0.003 0.000 0.252 466 S C -0.147 174.398 174.600 -0.092 0.000 1.022 466 S CA 0.045 58.224 58.200 -0.036 0.000 1.079 466 S CB 0.171 63.347 63.200 -0.039 0.000 1.035 466 S HN 0.903 nan 8.310 nan 0.000 0.594 467 T N -0.092 114.421 114.554 -0.068 0.000 2.934 467 T HA 0.711 5.063 4.350 0.003 0.000 0.283 467 T C -0.431 174.188 174.700 -0.136 0.000 1.005 467 T CA -0.658 61.405 62.100 -0.061 0.000 1.041 467 T CB 0.477 69.336 68.868 -0.015 0.000 1.042 467 T HN 0.118 nan 8.240 nan 0.000 0.505 468 F N 1.516 121.476 119.950 0.017 0.000 2.420 468 F HA 0.430 4.959 4.527 0.004 0.000 0.352 468 F C 1.393 177.167 175.800 -0.043 0.000 1.108 468 F CA -0.745 57.254 58.000 -0.001 0.000 1.162 468 F CB 0.985 40.054 39.000 0.114 0.000 1.118 468 F HN 0.315 nan 8.300 nan 0.000 0.510 469 R N 4.591 125.131 120.500 0.067 0.000 2.664 469 R HA 0.864 5.206 4.340 0.003 0.000 0.286 469 R C -1.450 174.817 176.300 -0.054 0.000 0.967 469 R CA -1.083 54.993 56.100 -0.040 0.000 0.933 469 R CB 1.795 32.038 30.300 -0.096 0.000 1.146 469 R HN 0.524 nan 8.270 nan 0.000 0.468 470 L N -1.118 120.078 121.223 -0.045 0.000 2.600 470 L HA 0.492 4.833 4.340 0.003 0.000 0.257 470 L C -0.745 176.154 176.870 0.048 0.000 1.048 470 L CA -1.221 53.614 54.840 -0.010 0.000 0.869 470 L CB 0.935 42.995 42.059 0.001 0.000 1.482 470 L HN 0.346 nan 8.230 nan 0.000 0.408 471 N N 0.061 118.810 118.700 0.082 0.000 2.475 471 N HA 0.345 5.086 4.740 0.003 0.000 0.267 471 N C 0.855 176.437 175.510 0.119 0.000 1.169 471 N CA -0.048 53.047 53.050 0.075 0.000 0.947 471 N CB 0.697 39.211 38.487 0.046 0.000 1.061 471 N HN 0.778 nan 8.380 nan 0.000 0.466 472 L N 1.715 123.016 121.223 0.130 0.000 2.103 472 L HA -0.271 4.071 4.340 0.003 0.000 0.215 472 L C 1.645 178.591 176.870 0.126 0.000 1.080 472 L CA 1.296 56.249 54.840 0.188 0.000 0.764 472 L CB -0.320 41.835 42.059 0.160 0.000 0.890 472 L HN 0.548 nan 8.230 nan 0.000 0.435 473 S N -1.565 114.167 115.700 0.052 0.000 2.650 473 S HA 0.027 4.498 4.470 0.003 0.000 0.219 473 S C 1.151 175.687 174.600 -0.107 0.000 0.960 473 S CA 0.073 58.255 58.200 -0.031 0.000 0.925 473 S CB 0.424 63.596 63.200 -0.047 0.000 0.775 473 S HN 0.205 nan 8.310 nan 0.000 0.525 474 V N 1.230 121.156 119.914 0.020 0.000 3.342 474 V HA 0.102 4.223 4.120 0.003 0.000 0.322 474 V C 1.661 177.903 176.094 0.246 0.000 1.370 474 V CA 0.530 62.902 62.300 0.120 0.000 1.170 474 V CB -0.268 31.713 31.823 0.263 0.000 1.101 474 V HN 0.394 nan 8.190 nan 0.000 0.442 475 T N 0.043 114.686 114.554 0.148 0.000 2.701 475 T HA -0.133 4.218 4.350 0.003 0.000 0.263 475 T C 2.070 176.823 174.700 0.089 0.000 1.040 475 T CA 2.254 64.424 62.100 0.117 0.000 1.147 475 T CB 0.035 68.924 68.868 0.036 0.000 0.865 475 T HN 0.616 nan 8.240 nan 0.000 0.426 476 S N 1.610 117.330 115.700 0.034 0.000 2.368 476 S HA -0.037 4.434 4.470 0.003 0.000 0.225 476 S C -0.433 174.150 174.600 -0.029 0.000 1.030 476 S CA 1.124 59.325 58.200 0.001 0.000 0.999 476 S CB -1.230 61.964 63.200 -0.010 0.000 0.844 476 S HN 0.461 nan 8.310 nan 0.000 0.459 477 P HA -0.042 nan 4.420 nan 0.000 0.220 477 P C 0.534 177.690 177.300 -0.240 0.000 1.148 477 P CA 1.036 63.979 63.100 -0.261 0.000 0.803 477 P CB -0.087 31.371 31.700 -0.404 0.000 0.782 478 Y N -2.086 118.217 120.300 0.005 0.000 2.448 478 Y HA 0.085 4.637 4.550 0.003 0.000 0.289 478 Y C 1.135 177.032 175.900 -0.006 0.000 1.114 478 Y CA 0.356 58.458 58.100 0.004 0.000 1.235 478 Y CB -0.487 37.960 38.460 -0.022 0.000 1.045 478 Y HN -0.108 nan 8.280 nan 0.000 0.554 479 N N -0.700 118.070 118.700 0.117 0.000 2.829 479 N HA -0.177 4.564 4.740 0.003 0.000 0.250 479 N C -0.418 175.090 175.510 -0.004 0.000 1.090 479 N CA 0.379 53.454 53.050 0.042 0.000 0.781 479 N CB -1.166 37.340 38.487 0.032 0.000 1.124 479 N HN 0.343 nan 8.380 nan 0.000 0.559 480 A N -0.055 122.764 122.820 -0.001 0.000 2.313 480 A HA 0.532 4.854 4.320 0.003 0.000 0.261 480 A C 0.412 177.826 177.584 -0.283 0.000 1.090 480 A CA 0.622 52.592 52.037 -0.112 0.000 0.807 480 A CB 0.423 19.363 19.000 -0.100 0.000 1.055 480 A HN 0.576 nan 8.150 nan 0.000 0.492 481 D N -1.941 118.217 120.400 -0.404 0.000 2.752 481 D HA 0.437 5.078 4.640 0.003 0.000 0.313 481 D C -0.888 174.992 176.300 -0.700 0.000 1.225 481 D CA -0.460 53.136 54.000 -0.672 0.000 0.976 481 D CB 0.256 40.867 40.800 -0.315 0.000 1.443 481 D HN 0.265 nan 8.370 nan 0.000 0.515 482 F N -0.217 119.742 119.950 0.016 0.000 2.855 482 F HA 0.191 4.720 4.527 0.003 0.000 0.317 482 F C 0.604 176.412 175.800 0.013 0.000 1.169 482 F CA -0.775 57.234 58.000 0.016 0.000 1.299 482 F CB 0.368 39.379 39.000 0.018 0.000 0.962 482 F HN 0.131 nan 8.300 nan 0.000 0.506 483 D N -0.228 120.218 120.400 0.077 0.000 2.413 483 D HA 0.256 4.898 4.640 0.003 0.000 0.237 483 D C 1.523 177.851 176.300 0.047 0.000 1.171 483 D CA 0.164 54.197 54.000 0.055 0.000 0.839 483 D CB 0.209 41.019 40.800 0.016 0.000 0.950 483 D HN 0.398 nan 8.370 nan 0.000 0.499 484 G N -0.022 108.820 108.800 0.070 0.000 2.164 484 G HA2 -0.197 3.765 3.960 0.003 0.000 0.154 484 G HA3 -0.197 3.765 3.960 0.003 0.000 0.154 484 G C -0.554 174.373 174.900 0.045 0.000 1.014 484 G CA -0.529 44.604 45.100 0.056 0.000 0.683 484 G HN 0.316 nan 8.290 nan 0.000 0.500 485 D N 1.135 121.560 120.400 0.041 0.000 2.389 485 D HA 0.462 5.103 4.640 0.003 0.000 0.247 485 D C 0.660 176.980 176.300 0.035 0.000 1.128 485 D CA 0.390 54.399 54.000 0.016 0.000 0.884 485 D CB 1.129 41.917 40.800 -0.020 0.000 1.194 485 D HN 0.482 nan 8.370 nan 0.000 0.441 486 E N 0.997 121.203 120.200 0.009 0.000 2.250 486 E HA 0.533 4.884 4.350 0.003 0.000 0.265 486 E C -0.186 176.373 176.600 -0.069 0.000 1.033 486 E CA -0.573 55.835 56.400 0.014 0.000 0.888 486 E CB 1.389 31.099 29.700 0.017 0.000 1.151 486 E HN 0.291 nan 8.360 nan 0.000 0.412 487 M N 1.238 120.766 119.600 -0.120 0.000 2.593 487 M HA 0.375 4.857 4.480 0.003 0.000 0.290 487 M C -1.129 174.908 176.300 -0.438 0.000 1.244 487 M CA -0.963 54.108 55.300 -0.381 0.000 0.857 487 M CB 2.131 34.326 32.600 -0.676 0.000 1.738 487 M HN 0.417 nan 8.290 nan 0.000 0.461 488 N N 0.918 119.308 118.700 -0.517 0.000 2.518 488 N HA 0.891 5.633 4.740 0.003 0.000 0.284 488 N C -1.586 173.703 175.510 -0.368 0.000 1.230 488 N CA -0.599 52.244 53.050 -0.345 0.000 0.941 488 N CB 1.733 40.129 38.487 -0.151 0.000 1.219 488 N HN 0.598 nan 8.380 nan 0.000 0.560 489 L N -0.322 120.793 121.223 -0.178 0.000 2.549 489 L HA 0.410 4.752 4.340 0.003 0.000 0.259 489 L C -1.781 175.055 176.870 -0.056 0.000 0.934 489 L CA -0.505 54.355 54.840 0.033 0.000 0.865 489 L CB 1.522 43.641 42.059 0.101 0.000 1.352 489 L HN 0.581 nan 8.230 nan 0.000 0.410 490 H N 3.843 122.984 119.070 0.119 0.000 2.589 490 H HA 0.533 5.091 4.556 0.003 0.000 0.351 490 H C -1.249 174.160 175.328 0.135 0.000 1.074 490 H CA -0.716 55.408 56.048 0.126 0.000 1.203 490 H CB 2.525 32.345 29.762 0.097 0.000 1.558 490 H HN 0.329 nan 8.280 nan 0.000 0.522 491 V N 5.397 125.459 119.914 0.246 0.000 2.347 491 V HA 0.185 4.306 4.120 0.003 0.000 0.280 491 V C -1.942 174.226 176.094 0.123 0.000 1.021 491 V CA -1.709 60.697 62.300 0.176 0.000 0.847 491 V CB 1.188 33.118 31.823 0.178 0.000 0.990 491 V HN 0.614 nan 8.190 nan 0.000 0.444 492 P HA 0.107 nan 4.420 nan 0.000 0.268 492 P C -0.261 177.087 177.300 0.081 0.000 1.208 492 P CA 0.041 63.185 63.100 0.074 0.000 0.777 492 P CB 0.903 32.646 31.700 0.072 0.000 0.875 493 Q N -0.586 119.218 119.800 0.007 0.000 2.189 493 Q HA 0.141 4.482 4.340 0.003 0.000 0.223 493 Q C 0.326 176.309 176.000 -0.029 0.000 0.828 493 Q CA 0.311 56.060 55.803 -0.089 0.000 0.967 493 Q CB 0.519 29.071 28.738 -0.310 0.000 1.139 493 Q HN 0.606 nan 8.270 nan 0.000 0.497 494 S N -0.907 114.840 115.700 0.079 0.000 2.549 494 S HA 0.415 4.886 4.470 0.003 0.000 0.280 494 S C 0.674 175.351 174.600 0.129 0.000 1.109 494 S CA -0.708 57.537 58.200 0.076 0.000 0.905 494 S CB 2.386 65.598 63.200 0.021 0.000 1.081 494 S HN -0.163 nan 8.310 nan 0.000 0.477 495 E N 1.780 122.056 120.200 0.126 0.000 2.058 495 E HA -0.185 4.167 4.350 0.003 0.000 0.194 495 E C 1.607 178.244 176.600 0.061 0.000 0.997 495 E CA 1.715 58.179 56.400 0.107 0.000 0.801 495 E CB -0.295 29.462 29.700 0.095 0.000 0.746 495 E HN 0.848 nan 8.360 nan 0.000 0.450 496 E N -0.079 120.149 120.200 0.046 0.000 2.130 496 E HA -0.178 4.173 4.350 0.003 0.000 0.196 496 E C 2.053 178.668 176.600 0.025 0.000 0.998 496 E CA 1.542 57.960 56.400 0.029 0.000 0.806 496 E CB -0.192 29.519 29.700 0.018 0.000 0.738 496 E HN 0.178 nan 8.360 nan 0.000 0.459 497 T N 0.469 115.042 114.554 0.031 0.000 2.809 497 T HA -0.039 4.312 4.350 0.003 0.000 0.260 497 T C 1.795 176.511 174.700 0.027 0.000 1.039 497 T CA 0.600 62.715 62.100 0.026 0.000 1.141 497 T CB -0.052 68.835 68.868 0.033 0.000 0.869 497 T HN 0.105 nan 8.240 nan 0.000 0.437 498 R N 1.227 121.748 120.500 0.035 0.000 2.133 498 R HA -0.172 4.170 4.340 0.003 0.000 0.245 498 R C 2.746 179.048 176.300 0.004 0.000 1.137 498 R CA 1.680 57.785 56.100 0.008 0.000 0.947 498 R CB -0.712 29.584 30.300 -0.008 0.000 0.865 498 R HN 0.366 nan 8.270 nan 0.000 0.437 499 A N 1.077 123.904 122.820 0.011 0.000 1.873 499 A HA -0.255 4.067 4.320 0.003 0.000 0.218 499 A C 2.014 179.603 177.584 0.007 0.000 1.193 499 A CA 1.768 53.810 52.037 0.009 0.000 0.629 499 A CB -0.576 18.433 19.000 0.016 0.000 0.826 499 A HN 0.461 nan 8.150 nan 0.000 0.447 500 E N -0.704 119.502 120.200 0.010 0.000 2.401 500 E HA -0.068 4.283 4.350 0.003 0.000 0.199 500 E C 1.713 178.315 176.600 0.003 0.000 1.023 500 E CA 0.363 56.766 56.400 0.006 0.000 0.859 500 E CB -0.133 29.569 29.700 0.003 0.000 0.780 500 E HN 0.667 nan 8.360 nan 0.000 0.523 501 L N -0.227 121.000 121.223 0.007 0.000 2.145 501 L HA -0.028 4.313 4.340 0.003 0.000 0.201 501 L C 2.039 178.911 176.870 0.003 0.000 1.075 501 L CA 1.099 55.946 54.840 0.011 0.000 0.773 501 L CB 0.028 42.101 42.059 0.023 0.000 0.936 501 L HN 0.144 nan 8.230 nan 0.000 0.451 502 S N -1.920 113.778 115.700 -0.002 0.000 2.614 502 S HA 0.113 4.584 4.470 0.003 0.000 0.230 502 S C 1.112 175.705 174.600 -0.012 0.000 0.952 502 S CA -0.351 57.844 58.200 -0.010 0.000 0.949 502 S CB 0.411 63.604 63.200 -0.012 0.000 0.786 502 S HN 0.316 nan 8.310 nan 0.000 0.478 503 Q N -0.109 119.685 119.800 -0.011 0.000 2.210 503 Q HA 0.423 4.764 4.340 0.003 0.000 0.252 503 Q C 0.827 176.814 176.000 -0.022 0.000 0.811 503 Q CA 0.370 56.165 55.803 -0.013 0.000 0.953 503 Q CB 0.448 29.183 28.738 -0.004 0.000 1.136 503 Q HN 0.536 nan 8.270 nan 0.000 0.491 504 L N -2.051 119.158 121.223 -0.023 0.000 2.746 504 L HA 0.178 4.520 4.340 0.003 0.000 0.230 504 L C 1.660 178.510 176.870 -0.033 0.000 1.034 504 L CA 0.372 55.192 54.840 -0.034 0.000 0.922 504 L CB 0.071 42.110 42.059 -0.033 0.000 1.496 504 L HN -0.045 nan 8.230 nan 0.000 0.498 505 C N 1.134 120.421 119.300 -0.021 0.000 2.594 505 C HA 0.515 4.977 4.460 0.003 0.000 0.265 505 C C 1.574 176.551 174.990 -0.022 0.000 1.351 505 C CA -0.719 58.290 59.018 -0.015 0.000 1.744 505 C CB -1.004 26.740 27.740 0.007 0.000 1.890 505 C HN 0.390 nan 8.230 nan 0.000 0.551 506 A N 0.954 123.755 122.820 -0.032 0.000 2.565 506 A HA 0.271 4.592 4.320 0.003 0.000 0.237 506 A C 1.373 178.909 177.584 -0.081 0.000 1.053 506 A CA 0.319 52.324 52.037 -0.053 0.000 0.755 506 A CB 0.323 19.297 19.000 -0.043 0.000 0.980 506 A HN 0.275 nan 8.150 nan 0.000 0.506 507 V N 3.897 123.727 119.914 -0.140 0.000 2.343 507 V HA -0.154 3.967 4.120 0.003 0.000 0.247 507 V C -0.414 175.612 176.094 -0.114 0.000 1.051 507 V CA 2.523 64.722 62.300 -0.169 0.000 1.036 507 V CB -1.497 30.135 31.823 -0.319 0.000 0.654 507 V HN 0.800 nan 8.190 nan 0.000 0.451 508 P HA -0.118 nan 4.420 nan 0.000 0.217 508 P C 1.886 179.173 177.300 -0.022 0.000 1.150 508 P CA 1.290 64.371 63.100 -0.031 0.000 0.832 508 P CB -0.106 31.588 31.700 -0.009 0.000 0.787 509 L N -0.798 120.403 121.223 -0.036 0.000 2.079 509 L HA -0.197 4.144 4.340 0.003 0.000 0.210 509 L C 1.977 178.818 176.870 -0.048 0.000 1.081 509 L CA 1.293 56.111 54.840 -0.036 0.000 0.752 509 L CB -1.130 40.904 42.059 -0.041 0.000 0.896 509 L HN 0.041 nan 8.230 nan 0.000 0.433 510 Q N 0.007 119.770 119.800 -0.062 0.000 2.415 510 Q HA 0.092 4.433 4.340 0.003 0.000 0.206 510 Q C 2.044 178.004 176.000 -0.068 0.000 0.946 510 Q CA 0.510 56.265 55.803 -0.079 0.000 0.951 510 Q CB 0.127 28.799 28.738 -0.109 0.000 1.026 510 Q HN 0.635 nan 8.270 nan 0.000 0.510 511 I N -0.350 120.203 120.570 -0.027 0.000 2.394 511 I HA -0.111 4.060 4.170 0.003 0.000 0.251 511 I C 1.092 177.228 176.117 0.032 0.000 1.136 511 I CA 0.623 61.936 61.300 0.022 0.000 1.425 511 I CB 0.174 38.240 38.000 0.110 0.000 1.079 511 I HN -0.073 nan 8.210 nan 0.000 0.425 512 V N 1.400 121.322 119.914 0.014 0.000 2.318 512 V HA 0.227 4.349 4.120 0.003 0.000 0.271 512 V C 0.269 176.354 176.094 -0.015 0.000 1.030 512 V CA -0.378 61.941 62.300 0.032 0.000 0.844 512 V CB 1.214 33.067 31.823 0.049 0.000 1.015 512 V HN 0.198 nan 8.190 nan 0.000 0.460 513 S N 8.335 124.023 115.700 -0.020 0.000 2.510 513 S HA 0.390 4.862 4.470 0.003 0.000 0.279 513 S C -1.554 173.041 174.600 -0.008 0.000 1.284 513 S CA -0.863 57.310 58.200 -0.045 0.000 1.059 513 S CB 1.251 64.409 63.200 -0.070 0.000 0.901 513 S HN 0.791 nan 8.310 nan 0.000 0.491 514 P HA 0.050 nan 4.420 nan 0.000 0.245 514 P C 0.862 178.263 177.300 0.169 0.000 1.212 514 P CA 0.247 63.389 63.100 0.071 0.000 0.774 514 P CB 0.133 31.874 31.700 0.068 0.000 0.999 515 Q N 0.401 120.252 119.800 0.085 0.000 1.984 515 Q HA 0.025 4.366 4.340 0.003 0.000 0.196 515 Q C -0.074 175.951 176.000 0.042 0.000 0.975 515 Q CA 0.999 56.849 55.803 0.078 0.000 0.827 515 Q CB 0.170 28.893 28.738 -0.024 0.000 0.894 515 Q HN 0.115 nan 8.270 nan 0.000 0.438 516 S N 1.844 117.515 115.700 -0.047 0.000 2.473 516 S HA 0.318 4.790 4.470 0.003 0.000 0.307 516 S C -1.026 173.574 174.600 -0.000 0.000 1.094 516 S CA -0.983 57.136 58.200 -0.135 0.000 1.070 516 S CB 1.152 64.261 63.200 -0.153 0.000 1.019 516 S HN 0.408 nan 8.310 nan 0.000 0.480 517 N N 3.375 122.119 118.700 0.073 0.000 2.394 517 N HA 0.231 4.973 4.740 0.003 0.000 0.282 517 N C -0.155 175.348 175.510 -0.011 0.000 1.351 517 N CA -0.049 53.060 53.050 0.099 0.000 0.936 517 N CB -0.055 38.536 38.487 0.174 0.000 1.274 517 N HN 0.707 nan 8.380 nan 0.000 0.489 518 K N 0.765 121.124 120.400 -0.068 0.000 3.138 518 K HA 0.366 4.688 4.320 0.003 0.000 0.309 518 K C -3.777 172.790 176.600 -0.055 0.000 1.090 518 K CA -1.126 55.032 56.287 -0.216 0.000 0.816 518 K CB 0.372 32.788 32.500 -0.140 0.000 1.476 518 K HN 0.182 nan 8.250 nan 0.000 0.380 519 P HA 0.402 nan 4.420 nan 0.000 0.301 519 P C 0.520 177.831 177.300 0.019 0.000 1.337 519 P CA -0.598 62.534 63.100 0.054 0.000 0.889 519 P CB 1.037 32.799 31.700 0.103 0.000 1.050 520 C N 1.605 120.906 119.300 0.002 0.000 2.906 520 C HA 0.449 4.910 4.460 0.003 0.000 0.274 520 C C 0.471 175.446 174.990 -0.025 0.000 1.257 520 C CA -0.260 58.735 59.018 -0.038 0.000 1.695 520 C CB -1.271 26.401 27.740 -0.113 0.000 1.958 520 C HN 0.353 nan 8.230 nan 0.000 0.619 521 M N 1.386 121.006 119.600 0.033 0.000 2.528 521 M HA 0.708 5.189 4.480 0.003 0.000 0.321 521 M C 0.171 176.610 176.300 0.231 0.000 1.153 521 M CA 0.203 55.530 55.300 0.044 0.000 0.951 521 M CB 1.980 34.511 32.600 -0.116 0.000 1.705 521 M HN 0.360 nan 8.290 nan 0.000 0.451 522 G N 1.213 110.153 108.800 0.233 0.000 2.731 522 G HA2 0.677 4.638 3.960 0.003 0.000 0.309 522 G HA3 0.677 4.638 3.960 0.003 0.000 0.309 522 G C -1.924 173.167 174.900 0.318 0.000 1.273 522 G CA -0.607 44.689 45.100 0.326 0.000 0.798 522 G HN 0.464 nan 8.290 nan 0.000 0.509 523 I N 1.141 121.823 120.570 0.186 0.000 2.297 523 I HA 0.485 4.657 4.170 0.003 0.000 0.291 523 I C -0.034 176.131 176.117 0.080 0.000 1.033 523 I CA -0.593 60.787 61.300 0.133 0.000 1.253 523 I CB 1.152 39.194 38.000 0.070 0.000 1.396 523 I HN 0.195 nan 8.210 nan 0.000 0.476 524 V N 6.072 126.034 119.914 0.081 0.000 2.680 524 V HA 0.536 4.657 4.120 0.003 0.000 0.309 524 V C 0.396 176.522 176.094 0.054 0.000 1.052 524 V CA -0.738 61.598 62.300 0.060 0.000 0.908 524 V CB 1.376 33.238 31.823 0.064 0.000 1.001 524 V HN 0.861 nan 8.190 nan 0.000 0.431 525 Q N 0.862 120.686 119.800 0.041 0.000 1.795 525 Q HA -0.352 3.990 4.340 0.003 0.000 0.404 525 Q C 1.051 177.069 176.000 0.030 0.000 0.847 525 Q CA 1.881 57.710 55.803 0.043 0.000 0.799 525 Q CB -0.840 27.936 28.738 0.063 0.000 3.822 525 Q HN 0.965 nan 8.270 nan 0.000 0.742 526 D N -0.409 120.018 120.400 0.045 0.000 2.230 526 D HA -0.217 4.425 4.640 0.003 0.000 0.189 526 D C 1.945 178.249 176.300 0.008 0.000 1.006 526 D CA 3.028 57.046 54.000 0.031 0.000 0.853 526 D CB -0.754 40.076 40.800 0.049 0.000 0.959 526 D HN 0.728 nan 8.370 nan 0.000 0.449 527 T N -1.131 113.437 114.554 0.023 0.000 2.778 527 T HA -0.219 4.133 4.350 0.003 0.000 0.269 527 T C 1.933 176.631 174.700 -0.004 0.000 1.050 527 T CA 1.488 63.598 62.100 0.018 0.000 1.137 527 T CB -0.449 68.441 68.868 0.035 0.000 0.860 527 T HN 0.139 nan 8.240 nan 0.000 0.468 528 L N 0.623 121.842 121.223 -0.007 0.000 2.095 528 L HA 0.254 4.596 4.340 0.003 0.000 0.204 528 L C 2.841 179.672 176.870 -0.064 0.000 1.080 528 L CA 1.436 56.261 54.840 -0.026 0.000 0.759 528 L CB -1.223 40.831 42.059 -0.008 0.000 0.914 528 L HN 0.569 nan 8.230 nan 0.000 0.439 529 C N -0.088 119.158 119.300 -0.089 0.000 2.419 529 C HA 0.011 4.473 4.460 0.003 0.000 0.281 529 C C 2.583 177.449 174.990 -0.207 0.000 1.336 529 C CA 0.857 59.761 59.018 -0.188 0.000 1.770 529 C CB -1.678 25.900 27.740 -0.269 0.000 1.929 529 C HN 0.692 nan 8.230 nan 0.000 0.509 530 G N -0.545 108.189 108.800 -0.110 0.000 2.576 530 G HA2 0.066 4.027 3.960 0.003 0.000 0.210 530 G HA3 0.066 4.027 3.960 0.003 0.000 0.210 530 G C 1.354 176.218 174.900 -0.061 0.000 1.143 530 G CA 0.471 45.559 45.100 -0.020 0.000 0.819 530 G HN 0.575 nan 8.290 nan 0.000 0.534 531 I N 0.548 121.073 120.570 -0.075 0.000 3.528 531 I HA 0.164 4.336 4.170 0.003 0.000 0.298 531 I C 2.260 178.299 176.117 -0.129 0.000 1.281 531 I CA 0.161 61.394 61.300 -0.111 0.000 1.269 531 I CB -0.021 37.932 38.000 -0.080 0.000 1.013 531 I HN 0.137 nan 8.210 nan 0.000 0.512 532 R N 0.626 121.050 120.500 -0.126 0.000 2.062 532 R HA -0.022 4.320 4.340 0.003 0.000 0.218 532 R C 2.079 178.282 176.300 -0.161 0.000 1.161 532 R CA 0.317 56.340 56.100 -0.128 0.000 0.994 532 R CB -0.064 30.173 30.300 -0.105 0.000 0.888 532 R HN 0.165 nan 8.270 nan 0.000 0.442 533 K N 0.943 121.254 120.400 -0.148 0.000 2.032 533 K HA -0.246 4.076 4.320 0.003 0.000 0.218 533 K C 2.116 178.480 176.600 -0.394 0.000 1.054 533 K CA 1.958 58.156 56.287 -0.148 0.000 0.941 533 K CB -0.642 31.901 32.500 0.071 0.000 0.720 533 K HN 0.175 nan 8.250 nan 0.000 0.449 534 L N 1.431 122.265 121.223 -0.647 0.000 2.189 534 L HA -0.173 4.169 4.340 0.003 0.000 0.214 534 L C 1.843 178.419 176.870 -0.489 0.000 1.097 534 L CA 1.783 56.091 54.840 -0.886 0.000 0.764 534 L CB -0.340 41.256 42.059 -0.772 0.000 0.900 534 L HN 0.285 nan 8.230 nan 0.000 0.436 535 T N -2.087 112.276 114.554 -0.319 0.000 3.040 535 T HA 0.228 4.579 4.350 0.003 0.000 0.250 535 T C 0.807 175.399 174.700 -0.181 0.000 1.058 535 T CA -0.499 61.470 62.100 -0.217 0.000 0.988 535 T CB -0.269 68.499 68.868 -0.167 0.000 0.993 535 T HN 0.074 nan 8.240 nan 0.000 0.519 536 L N 1.755 122.864 121.223 -0.190 0.000 2.536 536 L HA 0.078 4.419 4.340 0.003 0.000 0.294 536 L C 2.036 178.785 176.870 -0.202 0.000 1.257 536 L CA -0.173 54.571 54.840 -0.160 0.000 0.850 536 L CB 0.458 42.434 42.059 -0.138 0.000 1.105 536 L HN 0.088 nan 8.230 nan 0.000 0.517 537 R N 0.930 121.330 120.500 -0.167 0.000 2.096 537 R HA -0.148 4.194 4.340 0.003 0.000 0.235 537 R C 1.256 177.291 176.300 -0.441 0.000 1.127 537 R CA 1.291 57.264 56.100 -0.212 0.000 0.968 537 R CB -0.128 30.114 30.300 -0.096 0.000 0.861 537 R HN 0.679 nan 8.270 nan 0.000 0.440 538 D N 0.240 120.437 120.400 -0.339 0.000 2.178 538 D HA -0.059 4.582 4.640 0.003 0.000 0.202 538 D C 0.117 176.104 176.300 -0.521 0.000 0.974 538 D CA 0.943 54.726 54.000 -0.361 0.000 0.841 538 D CB -0.067 40.648 40.800 -0.141 0.000 0.953 538 D HN 0.007 nan 8.370 nan 0.000 0.478 539 T N 1.202 115.495 114.554 -0.436 0.000 2.754 539 T HA 0.130 4.482 4.350 0.003 0.000 0.282 539 T C -0.081 174.390 174.700 -0.381 0.000 0.923 539 T CA 0.193 62.112 62.100 -0.301 0.000 1.164 539 T CB -0.474 68.220 68.868 -0.289 0.000 0.873 539 T HN -0.097 nan 8.240 nan 0.000 0.537 540 F N 3.318 123.322 119.950 0.090 0.000 2.482 540 F HA 0.567 5.096 4.527 0.003 0.000 0.331 540 F C 0.491 176.394 175.800 0.171 0.000 1.115 540 F CA -1.323 56.748 58.000 0.119 0.000 0.955 540 F CB 1.317 40.386 39.000 0.116 0.000 1.136 540 F HN 0.289 nan 8.300 nan 0.000 0.452 541 I N 2.259 123.067 120.570 0.397 0.000 2.707 541 I HA 0.412 4.583 4.170 0.003 0.000 0.309 541 I C -0.455 175.837 176.117 0.292 0.000 1.001 541 I CA -0.761 60.721 61.300 0.304 0.000 1.129 541 I CB 1.984 40.115 38.000 0.218 0.000 1.308 541 I HN 0.655 nan 8.210 nan 0.000 0.466 542 E N 2.932 123.239 120.200 0.179 0.000 2.393 542 E HA 0.311 4.663 4.350 0.003 0.000 0.265 542 E C 0.343 176.909 176.600 -0.056 0.000 0.941 542 E CA -0.842 55.650 56.400 0.153 0.000 0.801 542 E CB 1.715 31.518 29.700 0.171 0.000 1.313 542 E HN 0.341 nan 8.360 nan 0.000 0.435 543 L N 1.802 122.987 121.223 -0.064 0.000 1.987 543 L HA -0.354 3.988 4.340 0.003 0.000 0.230 543 L C 1.914 178.702 176.870 -0.136 0.000 1.089 543 L CA 3.189 57.918 54.840 -0.186 0.000 0.802 543 L CB -0.915 41.148 42.059 0.005 0.000 0.905 543 L HN 0.926 nan 8.230 nan 0.000 0.441 544 D N -1.414 118.963 120.400 -0.039 0.000 2.192 544 D HA -0.329 4.313 4.640 0.003 0.000 0.189 544 D C 1.964 178.259 176.300 -0.009 0.000 1.007 544 D CA 2.276 56.267 54.000 -0.014 0.000 0.859 544 D CB -0.816 39.994 40.800 0.017 0.000 0.936 544 D HN 0.663 nan 8.370 nan 0.000 0.447 545 Q N -0.234 119.567 119.800 0.001 0.000 2.083 545 Q HA -0.029 4.313 4.340 0.003 0.000 0.198 545 Q C 2.558 178.569 176.000 0.018 0.000 0.969 545 Q CA 0.843 56.682 55.803 0.060 0.000 0.838 545 Q CB 0.071 28.844 28.738 0.058 0.000 0.900 545 Q HN 0.225 nan 8.270 nan 0.000 0.436 546 V N 1.423 121.248 119.914 -0.149 0.000 2.255 546 V HA -0.323 3.799 4.120 0.003 0.000 0.247 546 V C 2.273 178.189 176.094 -0.297 0.000 1.051 546 V CA 1.811 63.914 62.300 -0.328 0.000 1.018 546 V CB -0.634 30.695 31.823 -0.823 0.000 0.641 546 V HN 0.373 nan 8.190 nan 0.000 0.445 547 L N -0.019 121.040 121.223 -0.274 0.000 2.012 547 L HA -0.220 4.121 4.340 0.003 0.000 0.210 547 L C 2.495 179.245 176.870 -0.201 0.000 1.073 547 L CA 1.786 56.485 54.840 -0.236 0.000 0.748 547 L CB -1.075 40.895 42.059 -0.148 0.000 0.891 547 L HN 0.372 nan 8.230 nan 0.000 0.431 548 N N 0.287 118.925 118.700 -0.105 0.000 2.037 548 N HA -0.218 4.524 4.740 0.003 0.000 0.196 548 N C 1.905 177.338 175.510 -0.128 0.000 1.034 548 N CA 1.828 54.812 53.050 -0.109 0.000 0.861 548 N CB -0.307 38.139 38.487 -0.069 0.000 1.039 548 N HN 0.383 nan 8.380 nan 0.000 0.427 549 M N 0.141 119.713 119.600 -0.047 0.000 2.067 549 M HA -0.134 4.348 4.480 0.003 0.000 0.260 549 M C 1.872 178.079 176.300 -0.155 0.000 1.069 549 M CA 1.108 56.411 55.300 0.005 0.000 1.117 549 M CB -0.446 32.191 32.600 0.061 0.000 1.334 549 M HN 0.046 nan 8.290 nan 0.000 0.407 550 L N -0.271 120.703 121.223 -0.415 0.000 1.997 550 L HA -0.272 4.070 4.340 0.003 0.000 0.216 550 L C 2.595 178.976 176.870 -0.815 0.000 1.074 550 L CA 2.160 56.421 54.840 -0.965 0.000 0.763 550 L CB -1.957 39.158 42.059 -1.574 0.000 0.890 550 L HN 0.321 nan 8.230 nan 0.000 0.434 551 Y N -1.161 118.733 120.300 -0.676 0.000 2.207 551 Y HA -0.277 4.275 4.550 0.003 0.000 0.287 551 Y C 2.466 178.225 175.900 -0.234 0.000 1.156 551 Y CA 0.930 58.816 58.100 -0.356 0.000 1.182 551 Y CB -0.818 37.456 38.460 -0.309 0.000 0.979 551 Y HN 0.118 nan 8.280 nan 0.000 0.521 552 W N -0.098 120.987 121.300 -0.358 0.000 2.338 552 W HA -0.131 4.530 4.660 0.002 0.000 0.304 552 W C 0.812 177.193 176.519 -0.231 0.000 1.212 552 W CA 1.287 58.404 57.345 -0.381 0.000 1.264 552 W CB -0.430 28.801 29.460 -0.382 0.000 1.142 552 W HN -0.347 nan 8.180 nan 0.000 0.512 553 V N 3.012 122.993 119.914 0.112 0.000 2.521 553 V HA 0.046 4.167 4.120 0.003 0.000 0.286 553 V C -1.748 174.444 176.094 0.162 0.000 1.034 553 V CA -1.405 60.970 62.300 0.125 0.000 1.045 553 V CB 0.449 32.334 31.823 0.103 0.000 0.974 553 V HN -0.215 nan 8.190 nan 0.000 0.480 554 P HA 0.370 nan 4.420 nan 0.000 0.282 554 P C -0.360 177.036 177.300 0.159 0.000 1.249 554 P CA -0.211 62.967 63.100 0.130 0.000 0.806 554 P CB 0.540 32.291 31.700 0.084 0.000 0.984 555 D N -1.717 118.778 120.400 0.159 0.000 2.911 555 D HA -0.191 4.450 4.640 0.003 0.000 0.227 555 D C -0.547 175.855 176.300 0.169 0.000 1.164 555 D CA 0.753 54.829 54.000 0.127 0.000 0.782 555 D CB -2.043 38.805 40.800 0.080 0.000 1.094 555 D HN 0.504 nan 8.370 nan 0.000 0.425 556 W N 2.863 124.198 121.300 0.058 0.000 2.417 556 W HA 0.159 4.820 4.660 0.002 0.000 0.332 556 W C 1.295 177.842 176.519 0.047 0.000 1.413 556 W CA -0.053 57.327 57.345 0.059 0.000 1.299 556 W CB 0.513 30.023 29.460 0.083 0.000 1.304 556 W HN 0.078 nan 8.180 nan 0.000 0.565 557 D N 3.971 124.116 120.400 -0.424 0.000 2.357 557 D HA -0.160 4.482 4.640 0.003 0.000 0.216 557 D C 1.478 177.313 176.300 -0.775 0.000 0.973 557 D CA 1.390 55.111 54.000 -0.465 0.000 0.912 557 D CB -0.708 39.932 40.800 -0.266 0.000 0.900 557 D HN 0.976 nan 8.370 nan 0.000 0.501 558 G N -0.894 106.880 108.800 -1.710 0.000 2.248 558 G HA2 -0.143 3.819 3.960 0.003 0.000 0.263 558 G HA3 -0.143 3.819 3.960 0.003 0.000 0.263 558 G C -0.216 174.053 174.900 -1.052 0.000 1.082 558 G CA 0.131 44.213 45.100 -1.697 0.000 0.863 558 G HN 0.510 nan 8.290 nan 0.000 0.495 559 V N 2.180 121.535 119.914 -0.931 0.000 2.488 559 V HA 0.356 4.478 4.120 0.003 0.000 0.293 559 V C 0.494 176.754 176.094 0.278 0.000 1.027 559 V CA -1.322 60.872 62.300 -0.177 0.000 0.862 559 V CB 1.544 33.288 31.823 -0.132 0.000 1.008 559 V HN 0.333 nan 8.190 nan 0.000 0.428 560 I N 6.275 127.074 120.570 0.383 0.000 2.668 560 I HA 0.171 4.343 4.170 0.003 0.000 0.285 560 I C -1.980 174.356 176.117 0.365 0.000 1.168 560 I CA -1.657 59.910 61.300 0.445 0.000 1.424 560 I CB 0.080 38.299 38.000 0.365 0.000 1.377 560 I HN 0.389 nan 8.210 nan 0.000 0.560 561 P HA 0.200 nan 4.420 nan 0.000 0.280 561 P C -0.403 177.090 177.300 0.321 0.000 1.244 561 P CA -0.346 62.959 63.100 0.341 0.000 0.784 561 P CB 0.342 32.258 31.700 0.360 0.000 0.913 562 T N 5.161 119.785 114.554 0.117 0.000 2.902 562 T HA 0.159 4.511 4.350 0.003 0.000 0.301 562 T C -2.134 172.399 174.700 -0.279 0.000 1.012 562 T CA -0.632 61.445 62.100 -0.039 0.000 1.151 562 T CB -0.642 68.204 68.868 -0.038 0.000 0.946 562 T HN 0.307 nan 8.240 nan 0.000 0.542 563 P HA 0.277 nan 4.420 nan 0.000 0.276 563 P C 0.493 177.440 177.300 -0.589 0.000 1.230 563 P CA -0.352 62.013 63.100 -1.226 0.000 0.776 563 P CB 0.557 31.314 31.700 -1.572 0.000 0.888 564 A N 4.519 127.081 122.820 -0.431 0.000 1.851 564 A HA -0.138 4.183 4.320 0.003 0.000 0.216 564 A C 1.044 178.495 177.584 -0.223 0.000 1.195 564 A CA 1.268 53.183 52.037 -0.204 0.000 0.622 564 A CB -1.088 17.871 19.000 -0.069 0.000 0.831 564 A HN 0.558 nan 8.150 nan 0.000 0.444 565 I N -0.208 120.184 120.570 -0.297 0.000 2.342 565 I HA 0.331 4.502 4.170 0.003 0.000 0.291 565 I C -0.105 175.834 176.117 -0.298 0.000 1.010 565 I CA 0.195 61.322 61.300 -0.287 0.000 1.308 565 I CB 1.403 39.176 38.000 -0.378 0.000 1.400 565 I HN 0.368 nan 8.210 nan 0.000 0.488 566 I N 8.329 128.769 120.570 -0.217 0.000 2.908 566 I HA 0.173 4.344 4.170 0.003 0.000 0.319 566 I C -0.084 175.959 176.117 -0.123 0.000 1.471 566 I CA -0.296 60.891 61.300 -0.189 0.000 0.809 566 I CB -0.266 37.628 38.000 -0.177 0.000 2.186 566 I HN 0.596 nan 8.210 nan 0.000 0.607 567 K N 1.970 122.300 120.400 -0.116 0.000 2.512 567 K HA 0.702 5.023 4.320 0.003 0.000 0.272 567 K C -1.837 174.725 176.600 -0.063 0.000 1.033 567 K CA -0.831 55.408 56.287 -0.081 0.000 1.096 567 K CB -0.804 31.647 32.500 -0.081 0.000 1.498 567 K HN -0.242 nan 8.250 nan 0.000 0.629 568 P HA -0.244 nan 4.420 nan 0.000 0.225 568 P C -0.655 176.631 177.300 -0.023 0.000 1.154 568 P CA 1.758 64.841 63.100 -0.028 0.000 0.885 568 P CB 0.130 31.817 31.700 -0.022 0.000 0.785 569 K N -1.628 118.749 120.400 -0.038 0.000 2.652 569 K HA 0.299 4.620 4.320 0.003 0.000 0.249 569 K C -2.935 173.644 176.600 -0.035 0.000 0.986 569 K CA -2.233 54.044 56.287 -0.017 0.000 0.867 569 K CB 1.577 34.077 32.500 0.000 0.000 1.201 569 K HN -0.252 nan 8.250 nan 0.000 0.450 570 P HA 0.005 nan 4.420 nan 0.000 0.259 570 P C -1.256 176.098 177.300 0.089 0.000 1.211 570 P CA -0.008 63.058 63.100 -0.056 0.000 0.810 570 P CB 0.336 32.057 31.700 0.036 0.000 0.815 571 L N 3.917 125.103 121.223 -0.062 0.000 2.350 571 L HA 0.583 4.925 4.340 0.003 0.000 0.260 571 L C -0.566 176.361 176.870 0.096 0.000 1.015 571 L CA -0.526 54.430 54.840 0.193 0.000 0.821 571 L CB 1.490 43.519 42.059 -0.049 0.000 1.370 571 L HN 0.379 nan 8.230 nan 0.000 0.416 572 W N 0.331 121.654 121.300 0.039 0.000 2.647 572 W HA 0.537 5.199 4.660 0.003 0.000 0.353 572 W C 0.353 177.011 176.519 0.231 0.000 1.080 572 W CA -0.730 56.668 57.345 0.089 0.000 1.208 572 W CB 2.109 31.620 29.460 0.085 0.000 1.396 572 W HN 0.447 nan 8.180 nan 0.000 0.573 573 S N 0.531 116.490 115.700 0.432 0.000 2.614 573 S HA 0.301 4.773 4.470 0.003 0.000 0.265 573 S C 1.139 175.864 174.600 0.208 0.000 1.303 573 S CA 0.501 58.942 58.200 0.402 0.000 1.000 573 S CB 1.105 64.457 63.200 0.253 0.000 0.935 573 S HN 0.617 nan 8.310 nan 0.000 0.551 574 G N 2.310 111.122 108.800 0.020 0.000 2.604 574 G HA2 -0.212 3.749 3.960 0.003 0.000 0.216 574 G HA3 -0.212 3.749 3.960 0.003 0.000 0.216 574 G C 1.202 176.052 174.900 -0.083 0.000 1.265 574 G CA 1.102 46.118 45.100 -0.140 0.000 0.804 574 G HN 0.879 nan 8.290 nan 0.000 0.579 575 K N 0.054 120.408 120.400 -0.078 0.000 2.127 575 K HA -0.276 4.045 4.320 0.003 0.000 0.212 575 K C 2.440 179.052 176.600 0.021 0.000 1.050 575 K CA 1.549 57.811 56.287 -0.041 0.000 0.929 575 K CB -0.411 32.071 32.500 -0.029 0.000 0.715 575 K HN 0.252 nan 8.250 nan 0.000 0.457 576 Q N 0.653 120.502 119.800 0.081 0.000 2.065 576 Q HA -0.232 4.110 4.340 0.003 0.000 0.213 576 Q C 2.373 178.461 176.000 0.148 0.000 1.012 576 Q CA 2.523 58.414 55.803 0.147 0.000 0.876 576 Q CB -0.319 28.572 28.738 0.255 0.000 0.954 576 Q HN 0.654 nan 8.270 nan 0.000 0.413 577 I N -2.495 118.146 120.570 0.119 0.000 2.703 577 I HA -0.066 4.105 4.170 0.003 0.000 0.259 577 I C 2.133 178.269 176.117 0.031 0.000 1.151 577 I CA 0.524 61.871 61.300 0.080 0.000 1.470 577 I CB -0.566 37.448 38.000 0.022 0.000 1.112 577 I HN 0.031 nan 8.210 nan 0.000 0.437 578 L N 1.377 122.597 121.223 -0.005 0.000 2.127 578 L HA -0.127 4.214 4.340 0.003 0.000 0.211 578 L C 2.317 179.186 176.870 -0.002 0.000 1.089 578 L CA 1.860 56.685 54.840 -0.025 0.000 0.757 578 L CB -1.043 40.977 42.059 -0.066 0.000 0.899 578 L HN 0.304 nan 8.230 nan 0.000 0.434 579 S N -1.048 114.663 115.700 0.017 0.000 2.462 579 S HA -0.148 4.324 4.470 0.003 0.000 0.243 579 S C 1.852 176.483 174.600 0.051 0.000 1.003 579 S CA 1.253 59.470 58.200 0.028 0.000 0.970 579 S CB -0.518 62.709 63.200 0.045 0.000 0.762 579 S HN 0.399 nan 8.310 nan 0.000 0.510 580 V N 1.070 121.029 119.914 0.074 0.000 3.041 580 V HA 0.011 4.133 4.120 0.003 0.000 0.260 580 V C 2.317 178.472 176.094 0.102 0.000 1.105 580 V CA 1.203 63.576 62.300 0.122 0.000 1.125 580 V CB -0.759 31.162 31.823 0.163 0.000 0.730 580 V HN 0.544 nan 8.190 nan 0.000 0.479 581 A N -0.261 122.590 122.820 0.052 0.000 1.970 581 A HA 0.173 4.495 4.320 0.003 0.000 0.216 581 A C 1.140 178.733 177.584 0.015 0.000 1.170 581 A CA 0.431 52.488 52.037 0.034 0.000 0.645 581 A CB -0.196 18.806 19.000 0.004 0.000 0.816 581 A HN 0.472 nan 8.150 nan 0.000 0.447 582 I N 1.466 122.038 120.570 0.003 0.000 2.416 582 I HA 0.175 4.346 4.170 0.003 0.000 0.288 582 I C -2.150 173.961 176.117 -0.011 0.000 1.051 582 I CA -1.994 59.294 61.300 -0.021 0.000 1.375 582 I CB 0.989 38.968 38.000 -0.035 0.000 1.407 582 I HN 0.070 nan 8.210 nan 0.000 0.516 583 P HA 0.054 nan 4.420 nan 0.000 0.273 583 P C -0.971 176.305 177.300 -0.041 0.000 1.258 583 P CA -0.176 62.910 63.100 -0.023 0.000 0.802 583 P CB 0.428 32.109 31.700 -0.032 0.000 1.040 584 N N -1.079 117.596 118.700 -0.041 0.000 2.482 584 N HA 0.460 5.202 4.740 0.003 0.000 0.279 584 N C 0.756 176.203 175.510 -0.104 0.000 1.182 584 N CA 0.295 53.310 53.050 -0.059 0.000 0.969 584 N CB -0.094 38.376 38.487 -0.028 0.000 1.201 584 N HN 0.660 nan 8.380 nan 0.000 0.523 585 G N -0.425 108.284 108.800 -0.151 0.000 2.225 585 G HA2 -0.220 3.741 3.960 0.003 0.000 0.267 585 G HA3 -0.220 3.741 3.960 0.003 0.000 0.267 585 G C -0.508 174.135 174.900 -0.429 0.000 1.024 585 G CA -0.051 44.916 45.100 -0.222 0.000 0.784 585 G HN 0.414 nan 8.290 nan 0.000 0.507 586 I N 1.653 121.917 120.570 -0.510 0.000 2.355 586 I HA 0.375 4.547 4.170 0.003 0.000 0.288 586 I C -0.044 175.786 176.117 -0.477 0.000 0.999 586 I CA -0.581 60.490 61.300 -0.382 0.000 1.163 586 I CB 1.127 39.019 38.000 -0.180 0.000 1.316 586 I HN 0.121 nan 8.210 nan 0.000 0.454 587 H N 6.474 125.549 119.070 0.009 0.000 2.572 587 H HA 0.620 5.178 4.556 0.003 0.000 0.359 587 H C -1.079 174.254 175.328 0.008 0.000 1.134 587 H CA -0.862 55.194 56.048 0.013 0.000 1.187 587 H CB 3.284 33.064 29.762 0.029 0.000 1.597 587 H HN 0.358 nan 8.280 nan 0.000 0.524 588 L N 1.837 123.126 121.223 0.109 0.000 2.464 588 L HA 0.313 4.654 4.340 0.003 0.000 0.266 588 L C -1.138 175.737 176.870 0.008 0.000 0.965 588 L CA -0.280 54.584 54.840 0.040 0.000 0.833 588 L CB 2.506 44.556 42.059 -0.015 0.000 1.296 588 L HN 0.655 nan 8.230 nan 0.000 0.405 589 Q N 3.996 123.805 119.800 0.015 0.000 2.323 589 Q HA 0.526 4.867 4.340 0.003 0.000 0.271 589 Q C -0.649 175.337 176.000 -0.023 0.000 1.048 589 Q CA -0.465 55.335 55.803 -0.005 0.000 0.792 589 Q CB 2.331 31.138 28.738 0.115 0.000 1.280 589 Q HN 0.811 nan 8.270 nan 0.000 0.441 590 R N 2.385 122.794 120.500 -0.152 0.000 2.242 590 R HA 0.390 4.731 4.340 0.003 0.000 0.138 590 R C -0.829 175.515 176.300 0.073 0.000 2.004 590 R CA 0.203 56.257 56.100 -0.076 0.000 1.618 590 R CB 0.718 30.934 30.300 -0.140 0.000 1.371 590 R HN 0.725 nan 8.270 nan 0.000 0.480 591 F N 1.908 121.873 119.950 0.025 0.000 2.310 591 F HA -0.213 4.316 4.527 0.003 0.000 0.483 591 F C 0.258 176.076 175.800 0.030 0.000 1.229 591 F CA 0.016 58.050 58.000 0.057 0.000 1.544 591 F CB -0.947 38.090 39.000 0.061 0.000 2.399 591 F HN 0.404 nan 8.300 nan 0.000 0.745 592 D N 0.840 121.321 120.400 0.135 0.000 2.088 592 D HA -0.092 4.549 4.640 0.003 0.000 0.196 592 D C 1.775 178.131 176.300 0.093 0.000 0.983 592 D CA 2.149 56.198 54.000 0.081 0.000 0.846 592 D CB 0.236 41.059 40.800 0.039 0.000 0.992 592 D HN 0.670 nan 8.370 nan 0.000 0.448 593 E N -1.525 118.735 120.200 0.101 0.000 3.968 593 E HA 0.231 4.583 4.350 0.003 0.000 0.219 593 E C 0.387 177.038 176.600 0.085 0.000 1.310 593 E CA 0.279 56.724 56.400 0.076 0.000 1.622 593 E CB 0.171 29.898 29.700 0.046 0.000 1.730 593 E HN 0.079 nan 8.360 nan 0.000 0.629 594 G N 1.118 109.967 108.800 0.082 0.000 3.286 594 G HA2 0.387 4.348 3.960 0.003 0.000 0.303 594 G HA3 0.387 4.348 3.960 0.003 0.000 0.303 594 G C -0.819 174.152 174.900 0.119 0.000 0.974 594 G CA -0.141 45.007 45.100 0.080 0.000 1.635 594 G HN 0.044 nan 8.290 nan 0.000 0.535 595 T N 0.590 115.254 114.554 0.183 0.000 3.155 595 T HA 0.291 4.642 4.350 0.003 0.000 0.384 595 T C 0.917 175.813 174.700 0.327 0.000 1.351 595 T CA -0.520 61.760 62.100 0.300 0.000 1.198 595 T CB 0.846 69.995 68.868 0.467 0.000 1.106 595 T HN 0.367 nan 8.240 nan 0.000 0.564 596 T N 0.319 114.968 114.554 0.159 0.000 3.258 596 T HA 0.336 4.688 4.350 0.003 0.000 0.259 596 T C 0.989 175.710 174.700 0.035 0.000 0.963 596 T CA -0.613 61.543 62.100 0.093 0.000 0.919 596 T CB -0.888 67.997 68.868 0.027 0.000 1.110 596 T HN 0.532 nan 8.240 nan 0.000 0.550 597 L N -0.806 120.455 121.223 0.062 0.000 4.137 597 L HA -0.237 4.105 4.340 0.003 0.000 0.421 597 L C 0.894 177.478 176.870 -0.478 0.000 1.162 597 L CA 0.733 55.444 54.840 -0.214 0.000 0.978 597 L CB -1.739 40.324 42.059 0.007 0.000 1.957 597 L HN 0.493 nan 8.230 nan 0.000 0.978 598 L N -2.085 118.882 121.223 -0.426 0.000 2.860 598 L HA 0.181 4.523 4.340 0.003 0.000 0.251 598 L C 0.789 177.503 176.870 -0.261 0.000 1.041 598 L CA 0.648 55.281 54.840 -0.345 0.000 0.985 598 L CB 0.520 42.486 42.059 -0.154 0.000 1.656 598 L HN 0.424 nan 8.230 nan 0.000 0.526 599 S N 0.172 115.798 115.700 -0.123 0.000 3.394 599 S HA -0.110 4.362 4.470 0.003 0.000 0.490 599 S C -1.665 172.954 174.600 0.032 0.000 0.702 599 S CA -0.056 58.165 58.200 0.035 0.000 1.358 599 S CB -1.603 61.725 63.200 0.213 0.000 1.128 599 S HN 0.116 nan 8.310 nan 0.000 0.775 600 P HA -0.152 nan 4.420 nan 0.000 0.219 600 P C 0.794 178.112 177.300 0.030 0.000 1.161 600 P CA 1.876 64.990 63.100 0.023 0.000 0.909 600 P CB 0.079 31.794 31.700 0.025 0.000 0.793 601 K N -0.689 119.736 120.400 0.042 0.000 2.961 601 K HA 0.100 4.421 4.320 0.003 0.000 0.187 601 K C -0.746 175.885 176.600 0.052 0.000 1.110 601 K CA -0.253 56.057 56.287 0.038 0.000 0.968 601 K CB -0.414 32.102 32.500 0.027 0.000 1.287 601 K HN -0.139 nan 8.250 nan 0.000 0.578 602 D N 1.445 121.894 120.400 0.083 0.000 2.720 602 D HA -0.210 4.432 4.640 0.003 0.000 0.229 602 D C -1.002 175.346 176.300 0.080 0.000 1.198 602 D CA 1.129 55.198 54.000 0.115 0.000 0.639 602 D CB -0.753 40.077 40.800 0.050 0.000 1.003 602 D HN 0.505 nan 8.370 nan 0.000 0.411 603 N N 0.290 119.063 118.700 0.122 0.000 2.493 603 N HA 0.664 5.406 4.740 0.003 0.000 0.275 603 N C 1.165 176.699 175.510 0.040 0.000 1.186 603 N CA 0.284 53.378 53.050 0.074 0.000 0.978 603 N CB 1.110 39.654 38.487 0.095 0.000 1.184 603 N HN 0.354 nan 8.380 nan 0.000 0.487 604 G N -0.446 108.316 108.800 -0.064 0.000 2.632 604 G HA2 0.010 3.972 3.960 0.003 0.000 0.224 604 G HA3 0.010 3.972 3.960 0.003 0.000 0.224 604 G C -0.856 173.808 174.900 -0.394 0.000 1.341 604 G CA 0.044 45.020 45.100 -0.207 0.000 0.880 604 G HN 0.787 nan 8.290 nan 0.000 0.566 605 M N -0.855 118.397 119.600 -0.580 0.000 2.387 605 M HA 0.609 5.091 4.480 0.003 0.000 0.215 605 M C -1.676 174.289 176.300 -0.559 0.000 0.973 605 M CA -0.493 54.468 55.300 -0.565 0.000 0.924 605 M CB 1.330 33.747 32.600 -0.305 0.000 2.471 605 M HN 1.555 nan 8.290 nan 0.000 0.445 606 L N 6.347 127.154 121.223 -0.693 0.000 2.298 606 L HA 0.793 5.135 4.340 0.003 0.000 0.284 606 L C -1.747 175.026 176.870 -0.161 0.000 1.013 606 L CA -0.120 54.520 54.840 -0.333 0.000 0.824 606 L CB 1.007 42.989 42.059 -0.128 0.000 1.221 606 L HN 0.757 nan 8.230 nan 0.000 0.418 607 I N 6.583 127.110 120.570 -0.070 0.000 2.411 607 I HA 0.383 4.555 4.170 0.003 0.000 0.284 607 I C -0.712 175.445 176.117 0.067 0.000 1.012 607 I CA -0.482 60.806 61.300 -0.019 0.000 1.119 607 I CB 1.535 39.509 38.000 -0.044 0.000 1.261 607 I HN 0.442 nan 8.210 nan 0.000 0.448 608 I N 5.653 126.277 120.570 0.090 0.000 2.377 608 I HA 0.240 4.412 4.170 0.003 0.000 0.293 608 I C 0.731 176.922 176.117 0.123 0.000 0.987 608 I CA 0.310 61.719 61.300 0.183 0.000 1.185 608 I CB 1.295 39.386 38.000 0.152 0.000 1.341 608 I HN 0.712 nan 8.210 nan 0.000 0.455 609 D N 5.752 126.232 120.400 0.134 0.000 4.334 609 D HA -0.268 4.374 4.640 0.003 0.000 0.183 609 D C 1.293 177.517 176.300 -0.127 0.000 0.667 609 D CA 2.485 56.444 54.000 -0.069 0.000 1.106 609 D CB -0.958 39.890 40.800 0.081 0.000 0.544 609 D HN 0.787 nan 8.370 nan 0.000 0.458 610 G N -0.475 108.303 108.800 -0.036 0.000 3.079 610 G HA2 0.235 4.197 3.960 0.003 0.000 0.233 610 G HA3 0.235 4.197 3.960 0.003 0.000 0.233 610 G C 0.371 175.271 174.900 -0.001 0.000 1.062 610 G CA 0.069 45.152 45.100 -0.028 0.000 0.809 610 G HN 0.309 nan 8.290 nan 0.000 0.535 611 Q N 0.010 119.818 119.800 0.014 0.000 2.333 611 Q HA 0.593 4.934 4.340 0.003 0.000 0.266 611 Q C -0.358 175.650 176.000 0.013 0.000 1.053 611 Q CA -0.756 55.063 55.803 0.026 0.000 0.890 611 Q CB 2.364 31.130 28.738 0.047 0.000 1.337 611 Q HN 0.432 nan 8.270 nan 0.000 0.474 612 I N -2.122 118.454 120.570 0.009 0.000 2.603 612 I HA 0.402 4.574 4.170 0.003 0.000 0.300 612 I C 0.013 176.141 176.117 0.018 0.000 1.017 612 I CA -0.715 60.578 61.300 -0.011 0.000 1.098 612 I CB 1.167 39.138 38.000 -0.049 0.000 1.279 612 I HN 0.378 nan 8.210 nan 0.000 0.437 613 I N 3.619 124.204 120.570 0.026 0.000 3.194 613 I HA 0.327 4.498 4.170 0.003 0.000 0.271 613 I C 0.314 176.551 176.117 0.201 0.000 1.150 613 I CA 0.886 62.255 61.300 0.115 0.000 1.440 613 I CB -0.347 37.758 38.000 0.176 0.000 1.276 613 I HN 0.786 nan 8.210 nan 0.000 0.457 614 F N 0.012 119.939 119.950 -0.039 0.000 2.719 614 F HA 0.707 5.235 4.527 0.003 0.000 0.309 614 F C -0.456 175.301 175.800 -0.071 0.000 1.138 614 F CA -0.398 57.574 58.000 -0.048 0.000 0.943 614 F CB 1.046 40.020 39.000 -0.044 0.000 1.304 614 F HN 0.175 nan 8.300 nan 0.000 0.445 615 G N 0.655 109.345 108.800 -0.183 0.000 2.423 615 G HA2 0.383 4.345 3.960 0.003 0.000 0.684 615 G HA3 0.383 4.345 3.960 0.003 0.000 0.684 615 G C -2.468 172.346 174.900 -0.144 0.000 1.309 615 G CA -0.504 44.427 45.100 -0.281 0.000 0.950 615 G HN 1.352 nan 8.290 nan 0.000 0.587 616 V N 0.044 119.879 119.914 -0.132 0.000 2.495 616 V HA 0.602 4.723 4.120 0.003 0.000 0.298 616 V C 0.716 176.737 176.094 -0.121 0.000 1.031 616 V CA -0.840 61.393 62.300 -0.111 0.000 0.871 616 V CB 1.579 33.352 31.823 -0.083 0.000 0.988 616 V HN 0.915 nan 8.190 nan 0.000 0.432 617 V N 5.367 125.208 119.914 -0.121 0.000 2.530 617 V HA 0.561 4.683 4.120 0.003 0.000 0.282 617 V C 0.176 176.214 176.094 -0.095 0.000 1.048 617 V CA 0.180 62.413 62.300 -0.112 0.000 0.997 617 V CB 0.843 32.599 31.823 -0.112 0.000 0.987 617 V HN 1.191 nan 8.190 nan 0.000 0.477 618 E N 3.225 123.377 120.200 -0.080 0.000 2.090 618 E HA 0.341 4.692 4.350 0.003 0.000 0.221 618 E C 0.618 177.190 176.600 -0.048 0.000 1.323 618 E CA -0.735 55.627 56.400 -0.063 0.000 0.934 618 E CB 0.219 29.885 29.700 -0.058 0.000 1.828 618 E HN 0.089 nan 8.360 nan 0.000 0.519 619 K N 0.881 121.261 120.400 -0.034 0.000 2.023 619 K HA -0.271 4.051 4.320 0.003 0.000 0.227 619 K C 1.543 178.128 176.600 -0.025 0.000 1.054 619 K CA 2.906 59.181 56.287 -0.021 0.000 0.977 619 K CB -0.538 31.954 32.500 -0.013 0.000 0.733 619 K HN 0.454 nan 8.250 nan 0.000 0.451 620 K N -0.646 119.735 120.400 -0.030 0.000 2.228 620 K HA -0.146 4.176 4.320 0.003 0.000 0.205 620 K C 2.002 178.579 176.600 -0.039 0.000 1.045 620 K CA 1.978 58.245 56.287 -0.032 0.000 0.931 620 K CB -0.220 32.258 32.500 -0.036 0.000 0.727 620 K HN 0.424 nan 8.250 nan 0.000 0.458 621 T N -0.193 114.331 114.554 -0.050 0.000 2.914 621 T HA -0.030 4.321 4.350 0.003 0.000 0.240 621 T C 1.821 176.490 174.700 -0.051 0.000 1.025 621 T CA 0.521 62.586 62.100 -0.059 0.000 1.198 621 T CB -0.315 68.504 68.868 -0.083 0.000 0.892 621 T HN -0.003 nan 8.240 nan 0.000 0.417 622 V N 1.556 121.437 119.914 -0.054 0.000 3.406 622 V HA 0.332 4.453 4.120 0.003 0.000 0.263 622 V C 1.324 177.401 176.094 -0.028 0.000 1.172 622 V CA 0.605 62.871 62.300 -0.058 0.000 1.140 622 V CB -0.892 30.893 31.823 -0.062 0.000 0.784 622 V HN 0.539 nan 8.190 nan 0.000 0.467 623 G N 0.007 108.799 108.800 -0.014 0.000 2.611 623 G HA2 0.218 4.180 3.960 0.003 0.000 0.273 623 G HA3 0.218 4.180 3.960 0.003 0.000 0.273 623 G C 0.525 175.437 174.900 0.019 0.000 1.305 623 G CA 0.337 45.443 45.100 0.011 0.000 1.010 623 G HN 0.644 nan 8.290 nan 0.000 0.509 624 S N -0.434 115.285 115.700 0.031 0.000 3.149 624 S HA 0.390 4.861 4.470 0.003 0.000 0.228 624 S C 0.592 175.193 174.600 0.000 0.000 1.393 624 S CA -0.497 57.723 58.200 0.033 0.000 1.224 624 S CB -0.372 62.856 63.200 0.048 0.000 1.112 624 S HN 0.402 nan 8.310 nan 0.000 0.502 625 S N 2.022 117.715 115.700 -0.012 0.000 2.655 625 S HA 0.252 4.723 4.470 0.003 0.000 0.265 625 S C 1.291 175.844 174.600 -0.078 0.000 1.240 625 S CA -0.744 57.437 58.200 -0.032 0.000 0.986 625 S CB 0.382 63.567 63.200 -0.025 0.000 0.985 625 S HN 0.562 nan 8.310 nan 0.000 0.562 626 N N 1.169 119.812 118.700 -0.095 0.000 2.142 626 N HA -0.042 4.699 4.740 0.003 0.000 0.186 626 N C 1.381 176.808 175.510 -0.138 0.000 1.023 626 N CA 1.406 54.346 53.050 -0.183 0.000 0.852 626 N CB -0.544 37.879 38.487 -0.106 0.000 0.998 626 N HN 0.710 nan 8.380 nan 0.000 0.424 627 G N -1.068 107.719 108.800 -0.021 0.000 3.393 627 G HA2 0.316 4.277 3.960 0.003 0.000 0.255 627 G HA3 0.316 4.277 3.960 0.003 0.000 0.255 627 G C 0.550 175.480 174.900 0.051 0.000 1.097 627 G CA 0.082 45.215 45.100 0.055 0.000 0.780 627 G HN 0.418 nan 8.290 nan 0.000 0.540 628 G N -0.204 108.613 108.800 0.028 0.000 2.667 628 G HA2 0.265 4.226 3.960 0.003 0.000 0.250 628 G HA3 0.265 4.226 3.960 0.003 0.000 0.250 628 G C 1.027 175.941 174.900 0.023 0.000 1.212 628 G CA -0.491 44.616 45.100 0.012 0.000 0.874 628 G HN 0.236 nan 8.290 nan 0.000 0.561 629 L N 0.293 121.503 121.223 -0.021 0.000 2.187 629 L HA -0.101 4.241 4.340 0.003 0.000 0.213 629 L C 2.457 179.300 176.870 -0.045 0.000 1.100 629 L CA 1.236 56.050 54.840 -0.043 0.000 0.765 629 L CB -0.163 41.847 42.059 -0.081 0.000 0.904 629 L HN 0.548 nan 8.230 nan 0.000 0.437 630 I N -1.288 119.258 120.570 -0.039 0.000 2.233 630 I HA -0.283 3.889 4.170 0.003 0.000 0.243 630 I C 2.483 178.629 176.117 0.050 0.000 1.093 630 I CA 1.439 62.711 61.300 -0.048 0.000 1.380 630 I CB -1.007 36.964 38.000 -0.049 0.000 1.067 630 I HN 0.270 nan 8.210 nan 0.000 0.413 631 H N 0.629 119.689 119.070 -0.017 0.000 2.390 631 H HA -0.160 4.397 4.556 0.003 0.000 0.298 631 H C 2.189 177.516 175.328 -0.002 0.000 1.106 631 H CA 1.976 58.023 56.048 -0.001 0.000 1.297 631 H CB 0.357 30.125 29.762 0.010 0.000 1.375 631 H HN 0.165 nan 8.280 nan 0.000 0.509 632 V N -0.043 119.889 119.914 0.028 0.000 2.283 632 V HA -0.190 3.932 4.120 0.003 0.000 0.243 632 V C 2.721 178.788 176.094 -0.046 0.000 1.039 632 V CA 1.312 63.598 62.300 -0.023 0.000 1.016 632 V CB -0.620 31.205 31.823 0.003 0.000 0.650 632 V HN 0.224 nan 8.190 nan 0.000 0.449 633 V N 0.564 120.451 119.914 -0.045 0.000 2.594 633 V HA -0.229 3.892 4.120 0.003 0.000 0.253 633 V C 2.548 178.617 176.094 -0.042 0.000 1.069 633 V CA 2.490 64.759 62.300 -0.053 0.000 1.082 633 V CB -0.852 30.925 31.823 -0.077 0.000 0.680 633 V HN 0.683 nan 8.190 nan 0.000 0.469 634 T N -0.581 113.949 114.554 -0.040 0.000 2.698 634 T HA -0.108 4.244 4.350 0.003 0.000 0.260 634 T C 2.080 176.755 174.700 -0.043 0.000 1.044 634 T CA 0.831 62.914 62.100 -0.028 0.000 1.149 634 T CB -0.223 68.640 68.868 -0.009 0.000 0.864 634 T HN 0.265 nan 8.240 nan 0.000 0.419 635 R N 0.792 121.240 120.500 -0.087 0.000 2.148 635 R HA 0.022 4.364 4.340 0.003 0.000 0.227 635 R C 2.368 178.650 176.300 -0.030 0.000 1.103 635 R CA 0.986 57.043 56.100 -0.071 0.000 0.983 635 R CB -0.228 29.990 30.300 -0.136 0.000 0.874 635 R HN 0.427 nan 8.270 nan 0.000 0.451 636 E N 0.719 120.901 120.200 -0.030 0.000 2.030 636 E HA -0.054 4.298 4.350 0.003 0.000 0.189 636 E C 1.584 178.184 176.600 0.001 0.000 0.974 636 E CA 1.244 57.640 56.400 -0.007 0.000 0.807 636 E CB 0.223 29.917 29.700 -0.010 0.000 0.771 636 E HN -0.096 nan 8.360 nan 0.000 0.451 637 K N -0.751 119.644 120.400 -0.007 0.000 2.276 637 K HA 0.299 4.621 4.320 0.003 0.000 0.198 637 K C 0.577 177.180 176.600 0.005 0.000 1.052 637 K CA 0.839 57.125 56.287 -0.002 0.000 0.984 637 K CB 1.100 33.593 32.500 -0.011 0.000 0.836 637 K HN 0.247 nan 8.250 nan 0.000 0.490 638 G N 0.344 109.146 108.800 0.004 0.000 2.361 638 G HA2 -0.069 3.892 3.960 0.003 0.000 0.331 638 G HA3 -0.069 3.892 3.960 0.003 0.000 0.331 638 G C -2.735 172.173 174.900 0.014 0.000 1.324 638 G CA -0.731 44.376 45.100 0.011 0.000 0.984 638 G HN -0.229 nan 8.290 nan 0.000 0.586 639 P HA 0.033 nan 4.420 nan 0.000 0.215 639 P C 1.799 179.121 177.300 0.038 0.000 1.160 639 P CA 1.599 64.717 63.100 0.029 0.000 0.869 639 P CB 0.092 31.802 31.700 0.017 0.000 0.782 640 Q N -0.131 119.686 119.800 0.027 0.000 2.197 640 Q HA -0.100 4.242 4.340 0.003 0.000 0.207 640 Q C 2.152 178.174 176.000 0.037 0.000 0.984 640 Q CA 1.273 57.094 55.803 0.029 0.000 0.869 640 Q CB -1.812 26.938 28.738 0.020 0.000 0.906 640 Q HN 0.179 nan 8.270 nan 0.000 0.426 641 V N 0.591 120.522 119.914 0.029 0.000 2.283 641 V HA -0.234 3.888 4.120 0.003 0.000 0.243 641 V C 2.572 178.682 176.094 0.027 0.000 1.039 641 V CA 1.555 63.869 62.300 0.024 0.000 1.016 641 V CB -0.935 30.894 31.823 0.009 0.000 0.650 641 V HN 0.490 nan 8.190 nan 0.000 0.449 642 C N 0.590 119.905 119.300 0.025 0.000 2.403 642 C HA -0.189 4.273 4.460 0.003 0.000 0.277 642 C C 3.083 178.151 174.990 0.130 0.000 1.248 642 C CA 1.049 60.079 59.018 0.020 0.000 1.762 642 C CB -1.267 26.494 27.740 0.035 0.000 2.014 642 C HN 0.597 nan 8.230 nan 0.000 0.486 643 A N -0.463 122.460 122.820 0.171 0.000 1.933 643 A HA -0.198 4.124 4.320 0.003 0.000 0.218 643 A C 2.288 179.988 177.584 0.194 0.000 1.175 643 A CA 1.927 54.100 52.037 0.227 0.000 0.628 643 A CB -0.677 18.389 19.000 0.109 0.000 0.814 643 A HN 0.747 nan 8.150 nan 0.000 0.444 644 K N -0.748 119.721 120.400 0.115 0.000 2.288 644 K HA -0.037 4.285 4.320 0.003 0.000 0.201 644 K C 1.803 178.455 176.600 0.087 0.000 1.048 644 K CA 0.904 57.247 56.287 0.094 0.000 0.956 644 K CB -0.204 32.334 32.500 0.063 0.000 0.746 644 K HN 0.418 nan 8.250 nan 0.000 0.461 645 L N 0.447 121.703 121.223 0.055 0.000 1.988 645 L HA -0.082 4.260 4.340 0.003 0.000 0.207 645 L C 1.629 178.493 176.870 -0.011 0.000 1.071 645 L CA 1.670 56.493 54.840 -0.027 0.000 0.744 645 L CB -0.754 41.221 42.059 -0.140 0.000 0.893 645 L HN 0.079 nan 8.230 nan 0.000 0.433 646 F N 0.728 120.686 119.950 0.014 0.000 2.053 646 F HA -0.340 4.189 4.527 0.003 0.000 0.295 646 F C 2.477 178.286 175.800 0.016 0.000 1.102 646 F CA 2.187 60.197 58.000 0.015 0.000 1.225 646 F CB -1.431 37.581 39.000 0.020 0.000 0.961 646 F HN 0.307 nan 8.300 nan 0.000 0.495 647 G N -0.165 108.771 108.800 0.228 0.000 2.586 647 G HA2 -0.376 3.585 3.960 0.003 0.000 0.218 647 G HA3 -0.376 3.585 3.960 0.003 0.000 0.218 647 G C 1.447 176.400 174.900 0.088 0.000 1.216 647 G CA 1.468 46.648 45.100 0.133 0.000 0.786 647 G HN 0.320 nan 8.290 nan 0.000 0.583 648 N N 1.032 119.776 118.700 0.074 0.000 2.060 648 N HA -0.147 4.594 4.740 0.003 0.000 0.195 648 N C 2.194 177.717 175.510 0.021 0.000 1.028 648 N CA 1.528 54.609 53.050 0.052 0.000 0.861 648 N CB -0.523 37.993 38.487 0.049 0.000 1.029 648 N HN 0.504 nan 8.380 nan 0.000 0.428 649 I N 1.133 121.709 120.570 0.010 0.000 2.058 649 I HA -0.348 3.824 4.170 0.003 0.000 0.235 649 I C 2.350 178.463 176.117 -0.007 0.000 1.053 649 I CA 1.426 62.718 61.300 -0.012 0.000 1.313 649 I CB -0.660 37.320 38.000 -0.033 0.000 1.039 649 I HN 0.144 nan 8.210 nan 0.000 0.396 650 Q N 1.123 120.934 119.800 0.019 0.000 2.029 650 Q HA -0.291 4.051 4.340 0.003 0.000 0.209 650 Q C 2.244 178.204 176.000 -0.066 0.000 0.999 650 Q CA 2.107 57.912 55.803 0.003 0.000 0.857 650 Q CB -0.323 28.438 28.738 0.038 0.000 0.926 650 Q HN 0.425 nan 8.270 nan 0.000 0.415 651 K N -0.106 120.245 120.400 -0.082 0.000 2.107 651 K HA -0.225 4.097 4.320 0.003 0.000 0.211 651 K C 2.088 178.481 176.600 -0.346 0.000 1.049 651 K CA 1.972 58.123 56.287 -0.226 0.000 0.927 651 K CB -0.303 32.162 32.500 -0.059 0.000 0.714 651 K HN 0.123 nan 8.250 nan 0.000 0.452 652 V N 0.393 120.217 119.914 -0.150 0.000 2.302 652 V HA -0.177 3.945 4.120 0.003 0.000 0.243 652 V C 2.337 178.428 176.094 -0.004 0.000 1.036 652 V CA 1.298 63.547 62.300 -0.085 0.000 1.020 652 V CB -0.655 31.155 31.823 -0.022 0.000 0.657 652 V HN 0.020 nan 8.190 nan 0.000 0.453 653 V N 1.227 121.139 119.914 -0.004 0.000 2.220 653 V HA -0.332 3.789 4.120 0.003 0.000 0.250 653 V C 2.477 178.618 176.094 0.079 0.000 1.056 653 V CA 2.517 64.845 62.300 0.047 0.000 1.016 653 V CB -1.173 30.657 31.823 0.012 0.000 0.639 653 V HN 0.552 nan 8.190 nan 0.000 0.446 654 N N -0.193 118.506 118.700 -0.002 0.000 2.073 654 N HA -0.264 4.478 4.740 0.003 0.000 0.199 654 N C 1.713 177.211 175.510 -0.020 0.000 1.023 654 N CA 2.322 55.355 53.050 -0.028 0.000 0.880 654 N CB -0.684 37.746 38.487 -0.095 0.000 1.052 654 N HN 0.535 nan 8.380 nan 0.000 0.449 655 F N 0.521 120.319 119.950 -0.252 0.000 2.026 655 F HA -0.197 4.332 4.527 0.003 0.000 0.296 655 F C 2.477 178.263 175.800 -0.024 0.000 1.133 655 F CA 1.635 59.491 58.000 -0.239 0.000 1.188 655 F CB -1.008 37.654 39.000 -0.564 0.000 0.968 655 F HN 0.177 nan 8.300 nan 0.000 0.476 656 W N 1.073 122.236 121.300 -0.229 0.000 2.301 656 W HA -0.322 4.340 4.660 0.003 0.000 0.325 656 W C 2.436 178.841 176.519 -0.189 0.000 1.250 656 W CA 2.783 59.978 57.345 -0.249 0.000 1.261 656 W CB -1.012 28.381 29.460 -0.111 0.000 1.157 656 W HN 0.275 nan 8.180 nan 0.000 0.473 657 L N 1.031 122.293 121.223 0.065 0.000 1.991 657 L HA -0.290 4.052 4.340 0.003 0.000 0.221 657 L C 2.534 179.246 176.870 -0.263 0.000 1.079 657 L CA 2.824 57.606 54.840 -0.097 0.000 0.778 657 L CB -1.645 40.458 42.059 0.074 0.000 0.893 657 L HN 0.282 nan 8.230 nan 0.000 0.437 658 L N -0.426 120.690 121.223 -0.178 0.000 2.051 658 L HA -0.274 4.068 4.340 0.003 0.000 0.214 658 L C 2.106 178.796 176.870 -0.301 0.000 1.076 658 L CA 2.050 56.785 54.840 -0.176 0.000 0.758 658 L CB -1.245 40.767 42.059 -0.079 0.000 0.890 658 L HN 0.533 nan 8.230 nan 0.000 0.433 659 H N -0.983 117.790 119.070 -0.494 0.000 2.519 659 H HA 0.134 4.691 4.556 0.003 0.000 0.289 659 H C 1.056 176.055 175.328 -0.549 0.000 1.040 659 H CA 0.484 56.240 56.048 -0.487 0.000 1.165 659 H CB 0.158 29.569 29.762 -0.584 0.000 1.462 659 H HN 0.599 nan 8.280 nan 0.000 0.555 660 N N 0.524 118.897 118.700 -0.545 0.000 2.474 660 N HA 0.030 4.771 4.740 0.003 0.000 0.224 660 N C 0.406 175.732 175.510 -0.307 0.000 1.092 660 N CA 1.020 53.716 53.050 -0.590 0.000 0.844 660 N CB 1.847 39.600 38.487 -1.223 0.000 1.381 660 N HN 0.368 nan 8.380 nan 0.000 0.458 661 G N 0.899 109.563 108.800 -0.227 0.000 2.785 661 G HA2 -0.054 3.907 3.960 0.003 0.000 0.686 661 G HA3 -0.054 3.907 3.960 0.003 0.000 0.686 661 G C -1.434 173.517 174.900 0.084 0.000 1.155 661 G CA -0.241 44.812 45.100 -0.077 0.000 0.760 661 G HN 0.329 nan 8.290 nan 0.000 0.624 662 F N 1.341 121.249 119.950 -0.071 0.000 2.654 662 F HA 0.848 5.376 4.527 0.002 0.000 0.308 662 F C -0.133 175.650 175.800 -0.027 0.000 1.108 662 F CA 0.104 58.084 58.000 -0.033 0.000 0.957 662 F CB 2.154 41.150 39.000 -0.007 0.000 1.309 662 F HN 1.137 nan 8.300 nan 0.000 0.446 663 S N 0.907 116.026 115.700 -0.968 0.000 2.688 663 S HA 0.862 5.334 4.470 0.003 0.000 0.275 663 S C -1.844 172.310 174.600 -0.743 0.000 1.175 663 S CA -0.473 57.356 58.200 -0.618 0.000 0.818 663 S CB 1.977 64.990 63.200 -0.311 0.000 1.157 663 S HN 0.739 nan 8.310 nan 0.000 0.482 664 T N 1.364 115.690 114.554 -0.380 0.000 3.548 664 T HA 0.574 4.925 4.350 0.003 0.000 0.329 664 T C -0.051 174.562 174.700 -0.145 0.000 0.960 664 T CA -0.499 61.450 62.100 -0.253 0.000 1.041 664 T CB 1.045 69.800 68.868 -0.187 0.000 1.065 664 T HN 0.781 nan 8.240 nan 0.000 0.459 665 G N 0.905 109.637 108.800 -0.112 0.000 2.613 665 G HA2 0.613 4.574 3.960 0.003 0.000 0.303 665 G HA3 0.613 4.574 3.960 0.003 0.000 0.303 665 G C 0.631 175.501 174.900 -0.050 0.000 1.312 665 G CA -0.880 44.177 45.100 -0.072 0.000 1.036 665 G HN 0.542 nan 8.290 nan 0.000 0.513 666 I N 0.837 121.386 120.570 -0.036 0.000 2.406 666 I HA 0.062 4.234 4.170 0.003 0.000 0.249 666 I C 2.966 179.072 176.117 -0.018 0.000 1.122 666 I CA 1.167 62.453 61.300 -0.024 0.000 1.431 666 I CB -0.667 37.323 38.000 -0.016 0.000 1.087 666 I HN 0.554 nan 8.210 nan 0.000 0.424 667 G N 0.166 108.954 108.800 -0.019 0.000 2.549 667 G HA2 -0.261 3.701 3.960 0.003 0.000 0.222 667 G HA3 -0.261 3.701 3.960 0.003 0.000 0.222 667 G C 1.205 176.099 174.900 -0.010 0.000 1.100 667 G CA 1.017 46.109 45.100 -0.013 0.000 0.739 667 G HN 0.325 nan 8.290 nan 0.000 0.577 668 D N -0.490 119.899 120.400 -0.018 0.000 2.340 668 D HA 0.044 4.686 4.640 0.003 0.000 0.220 668 D C 1.926 178.223 176.300 -0.005 0.000 1.039 668 D CA 1.099 55.092 54.000 -0.012 0.000 0.866 668 D CB 0.257 41.041 40.800 -0.027 0.000 0.913 668 D HN 0.486 nan 8.370 nan 0.000 0.523 669 T N -2.362 112.189 114.554 -0.005 0.000 3.275 669 T HA 0.253 4.604 4.350 0.003 0.000 0.298 669 T C 0.686 175.389 174.700 0.004 0.000 0.988 669 T CA -0.440 61.660 62.100 -0.000 0.000 0.936 669 T CB 0.488 69.355 68.868 -0.001 0.000 1.159 669 T HN -0.173 nan 8.240 nan 0.000 0.519 670 I N 2.015 122.587 120.570 0.004 0.000 2.834 670 I HA 0.773 4.945 4.170 0.003 0.000 0.305 670 I C 0.545 176.667 176.117 0.010 0.000 1.008 670 I CA -0.925 60.378 61.300 0.006 0.000 1.273 670 I CB 0.953 38.956 38.000 0.005 0.000 1.432 670 I HN 0.362 nan 8.210 nan 0.000 0.557 671 A N 2.534 125.361 122.820 0.011 0.000 2.469 671 A HA 0.536 4.857 4.320 0.003 0.000 0.299 671 A C -0.954 176.639 177.584 0.015 0.000 1.098 671 A CA -0.708 51.339 52.037 0.016 0.000 0.737 671 A CB 0.881 19.892 19.000 0.017 0.000 1.312 671 A HN 0.654 nan 8.150 nan 0.000 0.414 672 D N 0.960 121.371 120.400 0.018 0.000 2.571 672 D HA 0.226 4.868 4.640 0.003 0.000 0.231 672 D C 1.664 177.974 176.300 0.016 0.000 1.133 672 D CA 1.478 55.488 54.000 0.017 0.000 0.862 672 D CB 0.659 41.471 40.800 0.019 0.000 1.179 672 D HN 0.669 nan 8.370 nan 0.000 0.474 673 G N 3.099 111.908 108.800 0.014 0.000 2.529 673 G HA2 -0.229 3.732 3.960 0.003 0.000 0.219 673 G HA3 -0.229 3.732 3.960 0.003 0.000 0.219 673 G C -0.697 174.213 174.900 0.016 0.000 1.177 673 G CA 0.452 45.561 45.100 0.014 0.000 0.773 673 G HN 0.474 nan 8.290 nan 0.000 0.573 674 P HA -0.044 nan 4.420 nan 0.000 0.217 674 P C 1.955 179.267 177.300 0.021 0.000 1.148 674 P CA 1.584 64.695 63.100 0.018 0.000 0.828 674 P CB -0.129 31.582 31.700 0.018 0.000 0.783 675 T N -1.242 113.325 114.554 0.022 0.000 2.852 675 T HA -0.018 4.334 4.350 0.003 0.000 0.256 675 T C 1.757 176.471 174.700 0.025 0.000 1.038 675 T CA 0.953 63.068 62.100 0.026 0.000 1.141 675 T CB -0.528 68.356 68.868 0.028 0.000 0.869 675 T HN -0.065 nan 8.240 nan 0.000 0.439 676 M N 1.253 120.865 119.600 0.021 0.000 2.108 676 M HA -0.114 4.368 4.480 0.003 0.000 0.257 676 M C 2.287 178.599 176.300 0.020 0.000 1.071 676 M CA 1.518 56.829 55.300 0.018 0.000 1.093 676 M CB -1.052 31.556 32.600 0.014 0.000 1.345 676 M HN 0.189 nan 8.290 nan 0.000 0.403 677 R N 0.114 120.626 120.500 0.020 0.000 2.082 677 R HA -0.206 4.135 4.340 0.003 0.000 0.234 677 R C 2.106 178.421 176.300 0.025 0.000 1.136 677 R CA 2.120 58.233 56.100 0.021 0.000 0.935 677 R CB -0.378 29.934 30.300 0.019 0.000 0.842 677 R HN 0.472 nan 8.270 nan 0.000 0.430 678 E N 0.075 120.291 120.200 0.027 0.000 2.209 678 E HA -0.192 4.160 4.350 0.003 0.000 0.196 678 E C 1.961 178.583 176.600 0.036 0.000 0.993 678 E CA 1.170 57.588 56.400 0.031 0.000 0.819 678 E CB -0.031 29.688 29.700 0.031 0.000 0.745 678 E HN 0.419 nan 8.360 nan 0.000 0.477 679 I N 0.155 120.747 120.570 0.036 0.000 2.193 679 I HA -0.229 3.943 4.170 0.003 0.000 0.240 679 I C 2.380 178.524 176.117 0.046 0.000 1.084 679 I CA 1.317 62.643 61.300 0.043 0.000 1.365 679 I CB -0.318 37.704 38.000 0.037 0.000 1.064 679 I HN 0.086 nan 8.210 nan 0.000 0.410 680 T N 0.676 115.253 114.554 0.038 0.000 2.803 680 T HA -0.217 4.135 4.350 0.003 0.000 0.269 680 T C 1.624 176.351 174.700 0.045 0.000 1.052 680 T CA 1.677 63.801 62.100 0.041 0.000 1.136 680 T CB -0.428 68.459 68.868 0.031 0.000 0.864 680 T HN 0.597 nan 8.240 nan 0.000 0.467 681 E N 0.442 120.666 120.200 0.039 0.000 2.418 681 E HA -0.064 4.288 4.350 0.003 0.000 0.197 681 E C 1.863 178.487 176.600 0.041 0.000 1.026 681 E CA 0.969 57.391 56.400 0.037 0.000 0.862 681 E CB -0.217 29.501 29.700 0.030 0.000 0.799 681 E HN 0.291 nan 8.360 nan 0.000 0.518 682 T N 0.011 114.594 114.554 0.049 0.000 3.107 682 T HA 0.193 4.544 4.350 0.003 0.000 0.249 682 T C 1.405 176.146 174.700 0.070 0.000 1.096 682 T CA -0.089 62.044 62.100 0.055 0.000 1.012 682 T CB 0.072 68.975 68.868 0.058 0.000 0.977 682 T HN 0.197 nan 8.240 nan 0.000 0.527 683 I N 0.369 120.987 120.570 0.080 0.000 3.265 683 I HA 0.235 4.406 4.170 0.003 0.000 0.282 683 I C 2.674 178.839 176.117 0.079 0.000 1.207 683 I CA 0.573 61.938 61.300 0.109 0.000 1.449 683 I CB -0.954 37.140 38.000 0.156 0.000 1.121 683 I HN 0.213 nan 8.210 nan 0.000 0.442 684 A N 1.659 124.515 122.820 0.059 0.000 2.014 684 A HA -0.153 4.169 4.320 0.003 0.000 0.218 684 A C 2.004 179.600 177.584 0.019 0.000 1.163 684 A CA 1.161 53.223 52.037 0.042 0.000 0.652 684 A CB -0.514 18.509 19.000 0.038 0.000 0.808 684 A HN 0.615 nan 8.150 nan 0.000 0.449 685 E N -0.897 119.312 120.200 0.015 0.000 2.479 685 E HA 0.386 4.738 4.350 0.003 0.000 0.193 685 E C 1.034 177.618 176.600 -0.025 0.000 1.049 685 E CA 0.551 56.949 56.400 -0.004 0.000 0.870 685 E CB 0.060 29.763 29.700 0.006 0.000 0.944 685 E HN 0.412 nan 8.360 nan 0.000 0.492 686 A N 1.030 123.839 122.820 -0.018 0.000 2.419 686 A HA 0.193 4.514 4.320 0.003 0.000 0.233 686 A C 1.688 179.221 177.584 -0.085 0.000 1.217 686 A CA -0.336 51.674 52.037 -0.045 0.000 0.944 686 A CB 0.277 19.280 19.000 0.004 0.000 1.025 686 A HN -0.011 nan 8.150 nan 0.000 0.524 687 K N -0.127 120.246 120.400 -0.046 0.000 2.379 687 K HA 0.121 4.443 4.320 0.003 0.000 0.194 687 K C 1.449 178.017 176.600 -0.053 0.000 1.031 687 K CA 0.209 56.470 56.287 -0.043 0.000 1.037 687 K CB 0.310 32.827 32.500 0.028 0.000 0.824 687 K HN 0.211 nan 8.250 nan 0.000 0.516 688 K N 1.497 121.859 120.400 -0.062 0.000 2.284 688 K HA 0.026 4.348 4.320 0.003 0.000 0.198 688 K C 1.573 178.099 176.600 -0.123 0.000 1.048 688 K CA 0.555 56.804 56.287 -0.063 0.000 0.987 688 K CB 0.374 32.853 32.500 -0.036 0.000 0.800 688 K HN -0.099 nan 8.250 nan 0.000 0.486 689 K N 0.780 121.062 120.400 -0.197 0.000 2.439 689 K HA -0.009 4.313 4.320 0.003 0.000 0.197 689 K C 1.610 177.906 176.600 -0.506 0.000 1.041 689 K CA 0.368 56.441 56.287 -0.357 0.000 0.970 689 K CB 0.360 32.593 32.500 -0.445 0.000 0.773 689 K HN -0.070 nan 8.250 nan 0.000 0.479 690 V N 0.597 120.305 119.914 -0.343 0.000 2.599 690 V HA -0.133 3.989 4.120 0.003 0.000 0.245 690 V C 1.870 177.913 176.094 -0.084 0.000 1.046 690 V CA 0.717 62.864 62.300 -0.255 0.000 1.065 690 V CB -0.045 31.675 31.823 -0.172 0.000 0.703 690 V HN 0.241 nan 8.190 nan 0.000 0.464 691 L N 0.290 121.479 121.223 -0.057 0.000 2.191 691 L HA -0.159 4.183 4.340 0.003 0.000 0.212 691 L C 1.957 178.830 176.870 0.005 0.000 1.103 691 L CA 1.861 56.703 54.840 0.003 0.000 0.769 691 L CB -0.428 41.631 42.059 -0.001 0.000 0.908 691 L HN 0.317 nan 8.230 nan 0.000 0.438 692 D N -1.461 118.915 120.400 -0.040 0.000 2.162 692 D HA -0.079 4.562 4.640 0.003 0.000 0.203 692 D C 2.274 178.578 176.300 0.007 0.000 0.967 692 D CA 1.045 55.029 54.000 -0.027 0.000 0.840 692 D CB -0.116 40.649 40.800 -0.059 0.000 0.972 692 D HN 0.179 nan 8.370 nan 0.000 0.482 693 V N 1.162 121.073 119.914 -0.006 0.000 2.970 693 V HA -0.143 3.979 4.120 0.003 0.000 0.260 693 V C 2.118 178.401 176.094 0.314 0.000 1.100 693 V CA 1.625 63.986 62.300 0.102 0.000 1.122 693 V CB -0.419 31.415 31.823 0.019 0.000 0.721 693 V HN 0.253 nan 8.190 nan 0.000 0.483 694 T N -1.076 113.649 114.554 0.285 0.000 2.814 694 T HA -0.109 4.242 4.350 0.003 0.000 0.254 694 T C 1.934 176.668 174.700 0.056 0.000 1.037 694 T CA 0.803 63.041 62.100 0.230 0.000 1.143 694 T CB -0.111 68.894 68.868 0.228 0.000 0.866 694 T HN 0.292 nan 8.240 nan 0.000 0.431 695 K N 0.995 121.426 120.400 0.052 0.000 2.127 695 K HA -0.213 4.108 4.320 0.003 0.000 0.208 695 K C 2.373 178.981 176.600 0.014 0.000 1.047 695 K CA 1.611 57.912 56.287 0.022 0.000 0.927 695 K CB -0.043 32.468 32.500 0.018 0.000 0.716 695 K HN 0.464 nan 8.250 nan 0.000 0.450 696 E N -0.245 119.972 120.200 0.028 0.000 2.006 696 E HA -0.163 4.189 4.350 0.003 0.000 0.192 696 E C 1.819 178.422 176.600 0.007 0.000 0.993 696 E CA 1.038 57.453 56.400 0.025 0.000 0.808 696 E CB -0.183 29.545 29.700 0.045 0.000 0.764 696 E HN 0.337 nan 8.360 nan 0.000 0.449 697 A N 0.626 123.450 122.820 0.007 0.000 2.084 697 A HA -0.261 4.061 4.320 0.003 0.000 0.221 697 A C 1.988 179.508 177.584 -0.108 0.000 1.161 697 A CA 1.755 53.755 52.037 -0.062 0.000 0.653 697 A CB -0.513 18.392 19.000 -0.160 0.000 0.802 697 A HN 0.406 nan 8.150 nan 0.000 0.457 698 Q N -1.574 118.171 119.800 -0.091 0.000 2.389 698 Q HA 0.203 4.544 4.340 0.003 0.000 0.204 698 Q C 1.435 177.406 176.000 -0.048 0.000 0.944 698 Q CA 0.678 56.431 55.803 -0.084 0.000 0.908 698 Q CB 0.009 28.706 28.738 -0.067 0.000 1.002 698 Q HN 0.624 nan 8.270 nan 0.000 0.493 699 A N 0.968 123.770 122.820 -0.031 0.000 2.610 699 A HA 0.120 4.441 4.320 0.003 0.000 0.286 699 A C 0.120 177.694 177.584 -0.017 0.000 1.306 699 A CA -0.389 51.637 52.037 -0.019 0.000 0.942 699 A CB -0.012 18.983 19.000 -0.008 0.000 1.112 699 A HN 0.292 nan 8.150 nan 0.000 0.527 700 N N -0.288 118.396 118.700 -0.026 0.000 2.705 700 N HA -0.152 4.589 4.740 0.003 0.000 0.255 700 N C 0.294 175.799 175.510 -0.009 0.000 1.008 700 N CA 0.943 53.979 53.050 -0.022 0.000 0.742 700 N CB -1.401 37.073 38.487 -0.022 0.000 0.906 700 N HN 0.588 nan 8.380 nan 0.000 0.541 701 L N -1.212 120.010 121.223 -0.002 0.000 2.749 701 L HA 0.214 4.555 4.340 0.003 0.000 0.242 701 L C 0.941 177.822 176.870 0.018 0.000 1.103 701 L CA -0.357 54.488 54.840 0.008 0.000 0.906 701 L CB 0.153 42.219 42.059 0.011 0.000 1.228 701 L HN 0.205 nan 8.230 nan 0.000 0.517 702 L N 2.630 123.866 121.223 0.021 0.000 2.515 702 L HA 0.159 4.501 4.340 0.003 0.000 0.281 702 L C -0.240 176.650 176.870 0.032 0.000 1.131 702 L CA 0.718 55.582 54.840 0.041 0.000 0.905 702 L CB 0.520 42.617 42.059 0.062 0.000 1.246 702 L HN 0.083 nan 8.230 nan 0.000 0.463 703 T N 4.522 119.096 114.554 0.034 0.000 2.901 703 T HA 0.352 4.704 4.350 0.003 0.000 0.301 703 T C 0.514 175.233 174.700 0.032 0.000 1.012 703 T CA -0.383 61.734 62.100 0.028 0.000 1.135 703 T CB 0.969 69.854 68.868 0.028 0.000 0.936 703 T HN 0.757 nan 8.240 nan 0.000 0.539 704 A N 3.926 126.759 122.820 0.022 0.000 2.366 704 A HA 0.371 4.692 4.320 0.003 0.000 0.272 704 A C 0.396 177.995 177.584 0.025 0.000 1.135 704 A CA -0.730 51.319 52.037 0.019 0.000 0.804 704 A CB 0.118 19.118 19.000 0.000 0.000 1.064 704 A HN 0.824 nan 8.150 nan 0.000 0.499 705 K N 1.731 122.150 120.400 0.032 0.000 2.448 705 K HA 0.032 4.354 4.320 0.003 0.000 0.278 705 K C -0.013 176.620 176.600 0.056 0.000 1.009 705 K CA 0.039 56.356 56.287 0.050 0.000 0.995 705 K CB 0.257 32.784 32.500 0.044 0.000 0.917 705 K HN 0.849 nan 8.250 nan 0.000 0.481 706 H N 0.745 119.815 119.070 0.001 0.000 3.157 706 H HA -0.006 4.552 4.556 0.003 0.000 0.299 706 H C 1.242 176.568 175.328 -0.003 0.000 0.961 706 H CA 1.872 57.917 56.048 -0.005 0.000 1.428 706 H CB 0.021 29.776 29.762 -0.013 0.000 1.459 706 H HN 0.836 nan 8.280 nan 0.000 0.566 707 G N 3.632 112.237 108.800 -0.326 0.000 2.175 707 G HA2 -0.253 3.709 3.960 0.003 0.000 0.244 707 G HA3 -0.253 3.709 3.960 0.003 0.000 0.244 707 G C 0.206 175.065 174.900 -0.068 0.000 0.982 707 G CA 0.289 45.290 45.100 -0.164 0.000 0.641 707 G HN 0.827 nan 8.290 nan 0.000 0.527 708 M N -0.225 119.345 119.600 -0.049 0.000 2.644 708 M HA 0.767 5.249 4.480 0.003 0.000 0.304 708 M C 0.225 176.512 176.300 -0.021 0.000 1.215 708 M CA -0.710 54.578 55.300 -0.021 0.000 0.871 708 M CB 1.347 33.948 32.600 0.001 0.000 1.740 708 M HN -0.001 nan 8.290 nan 0.000 0.464 709 T N 1.582 116.131 114.554 -0.009 0.000 2.855 709 T HA 0.126 4.477 4.350 0.003 0.000 0.322 709 T C 1.239 175.942 174.700 0.005 0.000 1.088 709 T CA -0.319 61.778 62.100 -0.005 0.000 1.104 709 T CB 0.432 69.302 68.868 0.004 0.000 0.996 709 T HN 0.586 nan 8.240 nan 0.000 0.549 710 L N 1.043 122.265 121.223 -0.001 0.000 2.093 710 L HA -0.006 4.336 4.340 0.003 0.000 0.208 710 L C 2.811 179.695 176.870 0.024 0.000 1.085 710 L CA 1.635 56.479 54.840 0.006 0.000 0.755 710 L CB -0.554 41.495 42.059 -0.017 0.000 0.904 710 L HN 0.545 nan 8.230 nan 0.000 0.435 711 R N -0.535 119.968 120.500 0.005 0.000 2.148 711 R HA -0.097 4.245 4.340 0.003 0.000 0.223 711 R C 2.098 178.450 176.300 0.088 0.000 1.088 711 R CA 0.826 56.938 56.100 0.020 0.000 0.985 711 R CB -0.140 30.146 30.300 -0.022 0.000 0.880 711 R HN 0.483 nan 8.270 nan 0.000 0.451 712 E N 0.206 120.441 120.200 0.059 0.000 2.107 712 E HA -0.119 4.233 4.350 0.003 0.000 0.191 712 E C 1.899 178.533 176.600 0.056 0.000 0.982 712 E CA 1.540 57.972 56.400 0.053 0.000 0.809 712 E CB 0.137 29.855 29.700 0.030 0.000 0.756 712 E HN 0.278 nan 8.360 nan 0.000 0.459 713 S N -0.128 115.612 115.700 0.067 0.000 2.489 713 S HA -0.072 4.400 4.470 0.003 0.000 0.228 713 S C 1.706 176.366 174.600 0.099 0.000 0.995 713 S CA 0.040 58.277 58.200 0.061 0.000 0.934 713 S CB -0.189 63.043 63.200 0.053 0.000 0.771 713 S HN 0.276 nan 8.310 nan 0.000 0.522 714 F N 2.691 122.633 119.950 -0.012 0.000 2.118 714 F HA 0.129 4.658 4.527 0.003 0.000 0.293 714 F C 2.449 178.251 175.800 0.002 0.000 1.102 714 F CA 1.413 59.409 58.000 -0.008 0.000 1.247 714 F CB -0.311 38.656 39.000 -0.055 0.000 1.017 714 F HN 0.036 nan 8.300 nan 0.000 0.475 715 E N 0.613 120.853 120.200 0.066 0.000 2.033 715 E HA -0.304 4.048 4.350 0.003 0.000 0.199 715 E C 1.911 178.450 176.600 -0.103 0.000 1.011 715 E CA 1.885 58.263 56.400 -0.037 0.000 0.815 715 E CB -0.925 28.814 29.700 0.066 0.000 0.755 715 E HN 0.533 nan 8.360 nan 0.000 0.451 716 D N 0.587 120.953 120.400 -0.057 0.000 2.106 716 D HA -0.190 4.452 4.640 0.003 0.000 0.191 716 D C 1.669 177.887 176.300 -0.136 0.000 0.997 716 D CA 1.532 55.484 54.000 -0.079 0.000 0.834 716 D CB -0.203 40.563 40.800 -0.056 0.000 0.956 716 D HN -0.013 nan 8.370 nan 0.000 0.448 717 N N -0.211 118.405 118.700 -0.140 0.000 2.005 717 N HA -0.174 4.568 4.740 0.003 0.000 0.199 717 N C 2.044 177.467 175.510 -0.145 0.000 1.054 717 N CA 1.749 54.700 53.050 -0.165 0.000 0.864 717 N CB -0.874 37.605 38.487 -0.013 0.000 1.063 717 N HN 0.162 nan 8.380 nan 0.000 0.428 718 V N 0.976 120.791 119.914 -0.165 0.000 2.255 718 V HA -0.212 3.910 4.120 0.003 0.000 0.247 718 V C 2.485 178.536 176.094 -0.071 0.000 1.051 718 V CA 1.424 63.674 62.300 -0.084 0.000 1.018 718 V CB -0.623 30.984 31.823 -0.359 0.000 0.641 718 V HN 0.111 nan 8.190 nan 0.000 0.445 719 V N -0.229 119.613 119.914 -0.119 0.000 2.317 719 V HA -0.352 3.770 4.120 0.003 0.000 0.251 719 V C 2.542 178.579 176.094 -0.095 0.000 1.065 719 V CA 2.430 64.677 62.300 -0.088 0.000 1.049 719 V CB -0.888 30.896 31.823 -0.064 0.000 0.651 719 V HN 0.463 nan 8.190 nan 0.000 0.450 720 R N -1.048 119.359 120.500 -0.155 0.000 2.075 720 R HA -0.084 4.257 4.340 0.003 0.000 0.232 720 R C 2.292 178.474 176.300 -0.196 0.000 1.126 720 R CA 1.704 57.684 56.100 -0.199 0.000 0.963 720 R CB -0.455 29.669 30.300 -0.294 0.000 0.858 720 R HN 0.483 nan 8.270 nan 0.000 0.435 721 F N 0.605 120.483 119.950 -0.120 0.000 2.225 721 F HA -0.248 4.281 4.527 0.003 0.000 0.302 721 F C 1.976 177.679 175.800 -0.163 0.000 1.068 721 F CA 0.938 58.861 58.000 -0.128 0.000 1.327 721 F CB -0.013 38.899 39.000 -0.147 0.000 1.043 721 F HN 0.035 nan 8.300 nan 0.000 0.506 722 L N -1.104 120.088 121.223 -0.052 0.000 2.408 722 L HA -0.033 4.309 4.340 0.003 0.000 0.215 722 L C 1.912 178.715 176.870 -0.113 0.000 1.081 722 L CA 0.151 54.840 54.840 -0.252 0.000 0.840 722 L CB -0.400 41.351 42.059 -0.514 0.000 1.002 722 L HN 0.054 nan 8.230 nan 0.000 0.468 723 N N 0.593 119.273 118.700 -0.035 0.000 2.109 723 N HA -0.162 4.579 4.740 0.003 0.000 0.188 723 N C 1.571 177.110 175.510 0.049 0.000 1.034 723 N CA 1.216 54.287 53.050 0.035 0.000 0.846 723 N CB -0.199 38.306 38.487 0.031 0.000 1.010 723 N HN 0.339 nan 8.380 nan 0.000 0.425 724 E N 1.154 121.365 120.200 0.017 0.000 2.187 724 E HA -0.157 4.194 4.350 0.003 0.000 0.199 724 E C 1.863 178.500 176.600 0.062 0.000 1.004 724 E CA 1.164 57.581 56.400 0.030 0.000 0.813 724 E CB -0.109 29.591 29.700 0.000 0.000 0.736 724 E HN 0.381 nan 8.360 nan 0.000 0.468 725 A N 1.244 124.100 122.820 0.060 0.000 1.930 725 A HA -0.170 4.152 4.320 0.003 0.000 0.217 725 A C 2.100 179.759 177.584 0.124 0.000 1.175 725 A CA 1.357 53.440 52.037 0.077 0.000 0.627 725 A CB -0.305 18.712 19.000 0.029 0.000 0.815 725 A HN 0.086 nan 8.150 nan 0.000 0.443 726 R N -0.468 120.121 120.500 0.150 0.000 2.075 726 R HA -0.098 4.243 4.340 0.003 0.000 0.226 726 R C 0.946 177.352 176.300 0.176 0.000 1.114 726 R CA 1.514 57.719 56.100 0.176 0.000 0.972 726 R CB -0.209 30.209 30.300 0.197 0.000 0.869 726 R HN 0.381 nan 8.270 nan 0.000 0.437 727 D N 0.404 120.919 120.400 0.191 0.000 2.269 727 D HA -0.111 4.530 4.640 0.003 0.000 0.208 727 D C 1.564 177.985 176.300 0.202 0.000 0.963 727 D CA 0.906 55.065 54.000 0.265 0.000 0.864 727 D CB 0.022 40.932 40.800 0.183 0.000 0.936 727 D HN 0.097 nan 8.370 nan 0.000 0.505 728 K N 0.972 121.452 120.400 0.134 0.000 2.057 728 K HA 0.040 4.361 4.320 0.003 0.000 0.206 728 K C 1.819 178.491 176.600 0.119 0.000 1.050 728 K CA 1.217 57.565 56.287 0.103 0.000 0.935 728 K CB -0.209 32.339 32.500 0.080 0.000 0.715 728 K HN 0.027 nan 8.250 nan 0.000 0.439 729 A N -0.142 122.754 122.820 0.127 0.000 1.930 729 A HA 0.119 4.441 4.320 0.003 0.000 0.215 729 A C 2.314 179.973 177.584 0.123 0.000 1.176 729 A CA 1.350 53.453 52.037 0.109 0.000 0.632 729 A CB -1.152 17.906 19.000 0.096 0.000 0.819 729 A HN 0.439 nan 8.150 nan 0.000 0.445 730 G N 0.056 108.957 108.800 0.168 0.000 2.587 730 G HA2 -0.269 3.692 3.960 0.003 0.000 0.217 730 G HA3 -0.269 3.692 3.960 0.003 0.000 0.217 730 G C 1.527 176.630 174.900 0.340 0.000 1.240 730 G CA 0.865 46.066 45.100 0.169 0.000 0.794 730 G HN 0.518 nan 8.290 nan 0.000 0.580 731 R N -0.046 120.762 120.500 0.512 0.000 2.369 731 R HA 0.226 4.567 4.340 0.003 0.000 0.200 731 R C 2.016 178.422 176.300 0.176 0.000 1.046 731 R CA -0.084 56.220 56.100 0.340 0.000 1.057 731 R CB -0.218 30.122 30.300 0.067 0.000 0.888 731 R HN 0.339 nan 8.270 nan 0.000 0.474 732 L N -0.914 120.401 121.223 0.153 0.000 2.463 732 L HA 0.116 4.458 4.340 0.003 0.000 0.219 732 L C 1.935 178.858 176.870 0.088 0.000 1.088 732 L CA 0.332 55.231 54.840 0.098 0.000 0.849 732 L CB 0.053 42.159 42.059 0.080 0.000 1.012 732 L HN 0.178 nan 8.230 nan 0.000 0.468 733 A N -0.907 121.971 122.820 0.098 0.000 1.984 733 A HA -0.133 4.188 4.320 0.003 0.000 0.214 733 A C 2.024 179.657 177.584 0.082 0.000 1.173 733 A CA 0.682 52.760 52.037 0.068 0.000 0.673 733 A CB -0.182 18.839 19.000 0.035 0.000 0.830 733 A HN 0.393 nan 8.150 nan 0.000 0.453 734 E N -0.041 120.241 120.200 0.135 0.000 2.418 734 E HA -0.040 4.311 4.350 0.003 0.000 0.197 734 E C 1.105 177.767 176.600 0.103 0.000 1.026 734 E CA 0.774 57.260 56.400 0.144 0.000 0.862 734 E CB 0.089 29.946 29.700 0.261 0.000 0.799 734 E HN 0.354 nan 8.360 nan 0.000 0.518 735 V N 0.913 120.880 119.914 0.088 0.000 3.174 735 V HA -0.064 4.058 4.120 0.003 0.000 0.254 735 V C 1.787 177.911 176.094 0.051 0.000 1.120 735 V CA 1.220 63.557 62.300 0.062 0.000 1.114 735 V CB -0.182 31.674 31.823 0.054 0.000 0.756 735 V HN 0.239 nan 8.190 nan 0.000 0.467 736 N N -0.196 118.535 118.700 0.052 0.000 2.412 736 N HA 0.066 4.807 4.740 0.003 0.000 0.184 736 N C 0.456 175.990 175.510 0.039 0.000 1.101 736 N CA 0.198 53.273 53.050 0.042 0.000 0.881 736 N CB 0.029 38.539 38.487 0.039 0.000 0.969 736 N HN 0.361 nan 8.380 nan 0.000 0.459 737 L N 1.564 122.814 121.223 0.045 0.000 2.349 737 L HA 0.206 4.547 4.340 0.003 0.000 0.275 737 L C 0.555 177.449 176.870 0.040 0.000 1.115 737 L CA -0.441 54.424 54.840 0.042 0.000 0.820 737 L CB 0.952 43.040 42.059 0.049 0.000 1.135 737 L HN 0.163 nan 8.230 nan 0.000 0.445 738 K N 1.789 122.211 120.400 0.037 0.000 2.138 738 K HA 0.083 4.404 4.320 0.003 0.000 0.251 738 K C 0.028 176.652 176.600 0.041 0.000 1.015 738 K CA -0.693 55.615 56.287 0.036 0.000 0.917 738 K CB 0.855 33.374 32.500 0.032 0.000 1.021 738 K HN 0.441 nan 8.250 nan 0.000 0.485 739 D N 0.727 121.150 120.400 0.039 0.000 2.269 739 D HA -0.056 4.586 4.640 0.003 0.000 0.208 739 D C 1.350 177.682 176.300 0.053 0.000 0.963 739 D CA 0.843 54.868 54.000 0.042 0.000 0.864 739 D CB -0.039 40.781 40.800 0.033 0.000 0.936 739 D HN 0.344 nan 8.370 nan 0.000 0.505 740 L N -0.851 120.403 121.223 0.052 0.000 2.627 740 L HA 0.220 4.562 4.340 0.003 0.000 0.232 740 L C 0.343 177.253 176.870 0.068 0.000 1.150 740 L CA -0.120 54.757 54.840 0.062 0.000 0.917 740 L CB -1.124 40.964 42.059 0.048 0.000 1.104 740 L HN -0.237 nan 8.230 nan 0.000 0.445 741 N N 0.546 119.286 118.700 0.066 0.000 2.401 741 N HA 0.109 4.851 4.740 0.003 0.000 0.255 741 N C 0.798 176.367 175.510 0.098 0.000 1.110 741 N CA -0.087 53.000 53.050 0.062 0.000 0.949 741 N CB 0.344 38.861 38.487 0.050 0.000 1.110 741 N HN 0.221 nan 8.380 nan 0.000 0.490 742 N N 1.980 120.734 118.700 0.089 0.000 2.069 742 N HA -0.208 4.534 4.740 0.003 0.000 0.191 742 N C 1.237 176.869 175.510 0.204 0.000 1.031 742 N CA 1.223 54.373 53.050 0.166 0.000 0.852 742 N CB 0.092 38.507 38.487 -0.119 0.000 1.018 742 N HN 0.293 nan 8.380 nan 0.000 0.423 743 V N 1.553 121.523 119.914 0.094 0.000 2.332 743 V HA -0.260 3.861 4.120 0.003 0.000 0.248 743 V C 2.307 178.458 176.094 0.095 0.000 1.055 743 V CA 1.603 63.955 62.300 0.086 0.000 1.038 743 V CB -0.545 31.301 31.823 0.037 0.000 0.651 743 V HN 0.310 nan 8.190 nan 0.000 0.450 744 K N -0.183 120.268 120.400 0.085 0.000 2.026 744 K HA -0.227 4.095 4.320 0.003 0.000 0.208 744 K C 2.288 178.937 176.600 0.081 0.000 1.048 744 K CA 1.776 58.109 56.287 0.077 0.000 0.929 744 K CB -0.161 32.380 32.500 0.068 0.000 0.713 744 K HN 0.527 nan 8.250 nan 0.000 0.439 745 Q N -0.371 119.493 119.800 0.107 0.000 2.364 745 Q HA -0.090 4.252 4.340 0.003 0.000 0.209 745 Q C 1.895 177.920 176.000 0.042 0.000 0.977 745 Q CA 1.054 56.906 55.803 0.081 0.000 0.885 745 Q CB 0.080 28.895 28.738 0.129 0.000 0.941 745 Q HN 0.384 nan 8.270 nan 0.000 0.464 746 M N -1.110 118.546 119.600 0.094 0.000 2.357 746 M HA -0.092 4.390 4.480 0.003 0.000 0.266 746 M C 1.992 178.315 176.300 0.039 0.000 1.095 746 M CA 0.695 56.033 55.300 0.063 0.000 1.156 746 M CB 0.326 33.010 32.600 0.140 0.000 1.365 746 M HN 0.043 nan 8.290 nan 0.000 0.447 747 V N 0.634 120.579 119.914 0.052 0.000 2.358 747 V HA -0.238 3.884 4.120 0.003 0.000 0.246 747 V C 2.231 178.343 176.094 0.031 0.000 1.047 747 V CA 1.583 63.911 62.300 0.046 0.000 1.035 747 V CB -0.419 31.441 31.823 0.062 0.000 0.658 747 V HN 0.494 nan 8.190 nan 0.000 0.452 748 M N -0.498 119.118 119.600 0.027 0.000 2.446 748 M HA -0.117 4.365 4.480 0.003 0.000 0.263 748 M C 2.018 178.313 176.300 -0.009 0.000 1.066 748 M CA 1.685 56.992 55.300 0.012 0.000 1.087 748 M CB -0.354 32.254 32.600 0.013 0.000 1.406 748 M HN 0.430 nan 8.290 nan 0.000 0.459 749 A N -0.627 122.183 122.820 -0.017 0.000 1.942 749 A HA 0.424 4.745 4.320 0.003 0.000 0.209 749 A C 1.749 179.321 177.584 -0.020 0.000 1.214 749 A CA 1.019 53.035 52.037 -0.035 0.000 0.686 749 A CB -0.212 18.749 19.000 -0.064 0.000 0.871 749 A HN 0.528 nan 8.150 nan 0.000 0.460 750 G N -0.330 108.467 108.800 -0.004 0.000 2.131 750 G HA2 -0.227 3.734 3.960 0.003 0.000 0.201 750 G HA3 -0.227 3.734 3.960 0.003 0.000 0.201 750 G C 1.057 175.962 174.900 0.008 0.000 1.000 750 G CA 1.192 46.295 45.100 0.006 0.000 0.680 750 G HN 1.338 nan 8.290 nan 0.000 0.514 751 S N -1.127 114.577 115.700 0.006 0.000 2.345 751 S HA 0.308 4.780 4.470 0.003 0.000 0.219 751 S C 0.961 175.576 174.600 0.025 0.000 1.031 751 S CA 1.427 59.634 58.200 0.012 0.000 0.984 751 S CB 0.377 63.580 63.200 0.005 0.000 0.874 751 S HN 0.343 nan 8.310 nan 0.000 0.451 752 K N 0.613 121.033 120.400 0.034 0.000 2.527 752 K HA 0.625 4.947 4.320 0.003 0.000 0.260 752 K C 0.092 176.712 176.600 0.034 0.000 0.937 752 K CA 0.288 56.594 56.287 0.033 0.000 0.826 752 K CB 1.381 33.903 32.500 0.037 0.000 1.359 752 K HN 0.616 nan 8.250 nan 0.000 0.434 753 G N 0.910 109.726 108.800 0.026 0.000 2.795 753 G HA2 -0.096 3.865 3.960 0.003 0.000 0.664 753 G HA3 -0.096 3.865 3.960 0.003 0.000 0.664 753 G C -0.450 174.474 174.900 0.039 0.000 1.381 753 G CA -0.031 45.084 45.100 0.026 0.000 0.853 753 G HN 1.087 nan 8.290 nan 0.000 0.545 754 S N -1.386 114.341 115.700 0.045 0.000 2.973 754 S HA 0.738 5.210 4.470 0.003 0.000 0.317 754 S C 0.850 175.512 174.600 0.103 0.000 1.196 754 S CA 0.415 58.665 58.200 0.084 0.000 0.894 754 S CB 0.966 64.224 63.200 0.096 0.000 1.292 754 S HN 1.908 nan 8.310 nan 0.000 0.614 755 F N 1.517 121.481 119.950 0.022 0.000 2.010 755 F HA -0.026 4.503 4.527 0.003 0.000 0.296 755 F C 2.206 178.024 175.800 0.031 0.000 1.146 755 F CA 1.966 59.981 58.000 0.026 0.000 1.181 755 F CB -0.819 38.195 39.000 0.023 0.000 0.965 755 F HN 0.581 nan 8.300 nan 0.000 0.480 756 I N 1.320 121.772 120.570 -0.197 0.000 2.161 756 I HA -0.496 3.675 4.170 0.003 0.000 0.246 756 I C 1.927 177.881 176.117 -0.271 0.000 1.048 756 I CA 2.725 63.858 61.300 -0.277 0.000 1.314 756 I CB -0.800 37.204 38.000 0.007 0.000 1.014 756 I HN 0.387 nan 8.210 nan 0.000 0.418 757 N N 0.171 118.784 118.700 -0.145 0.000 2.166 757 N HA -0.155 4.586 4.740 0.003 0.000 0.186 757 N C 1.866 177.312 175.510 -0.107 0.000 1.019 757 N CA 1.845 54.843 53.050 -0.086 0.000 0.856 757 N CB -0.212 38.249 38.487 -0.043 0.000 0.993 757 N HN 0.401 nan 8.380 nan 0.000 0.426 758 I N 0.879 121.353 120.570 -0.160 0.000 2.163 758 I HA -0.249 3.923 4.170 0.003 0.000 0.243 758 I C 2.360 178.373 176.117 -0.172 0.000 1.085 758 I CA 1.197 62.413 61.300 -0.141 0.000 1.347 758 I CB -1.093 36.829 38.000 -0.129 0.000 1.044 758 I HN 0.168 nan 8.210 nan 0.000 0.408 759 A N 0.562 123.183 122.820 -0.331 0.000 1.873 759 A HA -0.187 4.135 4.320 0.003 0.000 0.215 759 A C 2.291 179.794 177.584 -0.134 0.000 1.186 759 A CA 1.100 52.975 52.037 -0.269 0.000 0.616 759 A CB -0.539 18.200 19.000 -0.436 0.000 0.823 759 A HN 0.431 nan 8.150 nan 0.000 0.442 760 Q N -0.308 119.430 119.800 -0.102 0.000 1.978 760 Q HA -0.266 4.076 4.340 0.003 0.000 0.211 760 Q C 2.252 178.304 176.000 0.087 0.000 1.013 760 Q CA 2.118 57.931 55.803 0.016 0.000 0.869 760 Q CB -0.657 28.182 28.738 0.168 0.000 0.953 760 Q HN 0.750 nan 8.270 nan 0.000 0.415 761 M N -0.039 119.622 119.600 0.102 0.000 2.213 761 M HA -0.112 4.369 4.480 0.003 0.000 0.263 761 M C 1.994 178.323 176.300 0.049 0.000 1.062 761 M CA 1.415 56.782 55.300 0.111 0.000 1.105 761 M CB -0.058 32.561 32.600 0.031 0.000 1.385 761 M HN 0.103 nan 8.290 nan 0.000 0.417 762 S N -0.648 115.053 115.700 0.002 0.000 2.641 762 S HA 0.296 4.767 4.470 0.003 0.000 0.239 762 S C 1.810 176.401 174.600 -0.015 0.000 1.081 762 S CA 0.312 58.509 58.200 -0.005 0.000 0.904 762 S CB 0.194 63.390 63.200 -0.006 0.000 0.803 762 S HN 0.446 nan 8.310 nan 0.000 0.510 763 A N 0.684 123.486 122.820 -0.030 0.000 1.922 763 A HA 0.540 4.861 4.320 0.003 0.000 0.216 763 A C 0.987 178.543 177.584 -0.047 0.000 1.370 763 A CA 0.882 52.904 52.037 -0.024 0.000 0.627 763 A CB -0.601 18.394 19.000 -0.009 0.000 1.060 763 A HN 0.714 nan 8.150 nan 0.000 0.487 764 C N -1.381 117.877 119.300 -0.071 0.000 3.171 764 C HA 0.547 5.008 4.460 0.003 0.000 0.336 764 C C 1.272 176.161 174.990 -0.169 0.000 1.198 764 C CA -0.057 58.888 59.018 -0.122 0.000 1.319 764 C CB 0.934 28.637 27.740 -0.062 0.000 1.682 764 C HN 1.186 nan 8.230 nan 0.000 0.497 765 V N 3.267 123.008 119.914 -0.289 0.000 2.725 765 V HA 0.653 4.774 4.120 0.003 0.000 0.247 765 V C 1.231 177.202 176.094 -0.205 0.000 1.058 765 V CA 1.974 64.079 62.300 -0.324 0.000 1.080 765 V CB -0.605 30.854 31.823 -0.607 0.000 0.713 765 V HN 2.784 nan 8.190 nan 0.000 0.465 766 G N 0.214 108.881 108.800 -0.221 0.000 2.549 766 G HA2 -0.118 3.843 3.960 0.003 0.000 0.404 766 G HA3 -0.118 3.843 3.960 0.003 0.000 0.404 766 G C -0.677 174.290 174.900 0.113 0.000 1.292 766 G CA -0.020 45.112 45.100 0.052 0.000 0.935 766 G HN 0.948 nan 8.290 nan 0.000 0.512 767 Q N -0.343 119.694 119.800 0.395 0.000 2.340 767 Q HA 0.626 4.968 4.340 0.003 0.000 0.249 767 Q C 0.476 176.571 176.000 0.159 0.000 0.957 767 Q CA 0.291 56.295 55.803 0.336 0.000 0.882 767 Q CB 0.881 29.773 28.738 0.257 0.000 1.235 767 Q HN 0.658 nan 8.270 nan 0.000 0.439 768 Q N 0.529 120.403 119.800 0.123 0.000 2.166 768 Q HA 0.738 5.080 4.340 0.003 0.000 0.226 768 Q C -1.274 174.779 176.000 0.090 0.000 0.989 768 Q CA -0.149 55.712 55.803 0.097 0.000 0.966 768 Q CB 1.914 30.713 28.738 0.101 0.000 1.173 768 Q HN 0.769 nan 8.270 nan 0.000 0.509 769 S N -1.401 114.350 115.700 0.086 0.000 2.543 769 S HA 0.795 5.267 4.470 0.003 0.000 0.274 769 S C -1.630 173.033 174.600 0.106 0.000 1.149 769 S CA -0.775 57.505 58.200 0.134 0.000 0.866 769 S CB 0.737 64.128 63.200 0.318 0.000 1.111 769 S HN 0.327 nan 8.310 nan 0.000 0.457 770 V N 1.419 121.390 119.914 0.096 0.000 2.932 770 V HA 0.722 4.844 4.120 0.003 0.000 0.307 770 V C 0.300 176.429 176.094 0.058 0.000 1.147 770 V CA -0.831 61.509 62.300 0.067 0.000 0.951 770 V CB 1.112 32.951 31.823 0.026 0.000 1.031 770 V HN 1.150 nan 8.190 nan 0.000 0.426 771 E N 2.122 122.351 120.200 0.048 0.000 3.547 771 E HA -0.269 4.082 4.350 0.003 0.000 0.300 771 E C 1.322 177.920 176.600 -0.003 0.000 0.857 771 E CA 2.417 58.829 56.400 0.019 0.000 1.039 771 E CB -1.323 28.386 29.700 0.015 0.000 1.524 771 E HN 1.940 nan 8.360 nan 0.000 0.457 772 G N -1.325 107.476 108.800 0.002 0.000 2.317 772 G HA2 -0.365 3.596 3.960 0.003 0.000 0.227 772 G HA3 -0.365 3.596 3.960 0.003 0.000 0.227 772 G C 0.213 175.060 174.900 -0.088 0.000 1.042 772 G CA 0.242 45.242 45.100 -0.166 0.000 0.623 772 G HN 0.288 nan 8.290 nan 0.000 0.509 773 K N 2.178 122.573 120.400 -0.009 0.000 2.237 773 K HA 0.478 4.799 4.320 0.003 0.000 0.270 773 K C 1.254 177.866 176.600 0.020 0.000 1.015 773 K CA -0.357 55.936 56.287 0.009 0.000 0.949 773 K CB 0.985 33.500 32.500 0.025 0.000 0.976 773 K HN 0.711 nan 8.250 nan 0.000 0.472 774 R N 1.406 121.914 120.500 0.013 0.000 2.995 774 R HA 0.103 4.445 4.340 0.003 0.000 0.287 774 R C 0.213 176.475 176.300 -0.063 0.000 1.168 774 R CA -0.565 55.530 56.100 -0.007 0.000 1.183 774 R CB 0.061 30.354 30.300 -0.011 0.000 1.157 774 R HN 0.388 nan 8.270 nan 0.000 0.577 775 I N 1.504 121.989 120.570 -0.142 0.000 2.662 775 I HA -0.029 4.143 4.170 0.003 0.000 0.285 775 I C 1.044 176.992 176.117 -0.281 0.000 1.161 775 I CA 0.384 61.545 61.300 -0.232 0.000 1.415 775 I CB 0.156 37.889 38.000 -0.445 0.000 1.385 775 I HN 0.782 nan 8.210 nan 0.000 0.552 776 A N 7.588 130.298 122.820 -0.185 0.000 2.346 776 A HA 0.279 4.600 4.320 0.003 0.000 0.255 776 A C -0.314 177.110 177.584 -0.268 0.000 1.113 776 A CA -0.017 51.928 52.037 -0.154 0.000 0.798 776 A CB 0.060 19.049 19.000 -0.017 0.000 1.073 776 A HN 0.540 nan 8.150 nan 0.000 0.502 777 F N 0.368 120.344 119.950 0.044 0.000 2.291 777 F HA 0.388 4.917 4.527 0.003 0.000 0.368 777 F C 1.495 177.326 175.800 0.052 0.000 1.085 777 F CA 0.269 58.305 58.000 0.060 0.000 1.165 777 F CB 1.039 40.065 39.000 0.043 0.000 1.429 777 F HN 0.686 nan 8.300 nan 0.000 0.503 778 G N 2.961 111.854 108.800 0.155 0.000 2.395 778 G HA2 -0.078 3.884 3.960 0.003 0.000 0.214 778 G HA3 -0.078 3.884 3.960 0.003 0.000 0.214 778 G C 0.453 175.315 174.900 -0.064 0.000 1.177 778 G CA 0.072 45.159 45.100 -0.021 0.000 0.794 778 G HN 0.316 nan 8.290 nan 0.000 0.532 779 F N 0.353 120.415 119.950 0.186 0.000 2.382 779 F HA 0.380 4.908 4.527 0.003 0.000 0.331 779 F C 0.602 176.496 175.800 0.156 0.000 1.121 779 F CA -1.017 57.075 58.000 0.153 0.000 1.183 779 F CB 1.349 40.439 39.000 0.150 0.000 1.207 779 F HN -0.252 nan 8.300 nan 0.000 0.555 780 V N 3.026 123.114 119.914 0.291 0.000 2.425 780 V HA -0.052 4.070 4.120 0.003 0.000 0.276 780 V C 0.158 176.285 176.094 0.056 0.000 1.017 780 V CA 0.113 62.492 62.300 0.131 0.000 1.062 780 V CB -0.273 31.600 31.823 0.083 0.000 0.997 780 V HN 0.883 nan 8.190 nan 0.000 0.476 781 D N 2.423 122.753 120.400 -0.118 0.000 3.077 781 D HA -0.190 4.452 4.640 0.003 0.000 0.217 781 D C 0.646 176.806 176.300 -0.233 0.000 1.162 781 D CA 1.765 55.489 54.000 -0.460 0.000 0.943 781 D CB -0.305 40.323 40.800 -0.287 0.000 1.122 781 D HN 0.920 nan 8.370 nan 0.000 0.413 782 R N -2.299 118.384 120.500 0.305 0.000 2.885 782 R HA 0.695 5.036 4.340 0.003 0.000 0.260 782 R C 0.728 177.451 176.300 0.704 0.000 1.107 782 R CA -0.666 55.778 56.100 0.574 0.000 0.978 782 R CB 0.550 31.069 30.300 0.365 0.000 1.227 782 R HN -0.197 nan 8.270 nan 0.000 0.473 783 T N -0.474 114.399 114.554 0.530 0.000 3.044 783 T HA 0.314 4.666 4.350 0.003 0.000 0.237 783 T C 0.654 175.798 174.700 0.740 0.000 1.001 783 T CA 0.207 62.595 62.100 0.479 0.000 1.160 783 T CB 0.111 69.208 68.868 0.381 0.000 0.889 783 T HN 0.223 nan 8.240 nan 0.000 0.442 784 L N 0.863 122.549 121.223 0.772 0.000 2.354 784 L HA 0.403 4.745 4.340 0.003 0.000 0.264 784 L C -2.287 174.660 176.870 0.128 0.000 1.008 784 L CA -2.661 52.487 54.840 0.513 0.000 0.819 784 L CB 2.680 44.969 42.059 0.384 0.000 1.339 784 L HN -0.160 nan 8.230 nan 0.000 0.420 785 P HA -0.090 nan 4.420 nan 0.000 0.236 785 P C 0.480 177.491 177.300 -0.482 0.000 1.172 785 P CA 0.981 63.771 63.100 -0.517 0.000 0.759 785 P CB -0.084 31.166 31.700 -0.749 0.000 0.843 786 H N -2.637 116.248 119.070 -0.308 0.000 2.529 786 H HA 0.229 4.787 4.556 0.003 0.000 0.277 786 H C 0.347 175.422 175.328 -0.422 0.000 1.004 786 H CA 0.049 55.866 56.048 -0.385 0.000 1.167 786 H CB -0.014 29.436 29.762 -0.519 0.000 1.445 786 H HN 0.229 nan 8.280 nan 0.000 0.554 787 F N 0.488 120.502 119.950 0.108 0.000 2.579 787 F HA 0.279 4.807 4.527 0.003 0.000 0.324 787 F C 0.635 176.466 175.800 0.052 0.000 1.058 787 F CA -1.269 56.791 58.000 0.101 0.000 0.944 787 F CB 1.666 40.757 39.000 0.151 0.000 1.245 787 F HN -0.133 nan 8.300 nan 0.000 0.477 788 S N 0.481 116.350 115.700 0.282 0.000 2.617 788 S HA 0.267 4.739 4.470 0.003 0.000 0.259 788 S C -0.306 174.371 174.600 0.129 0.000 1.301 788 S CA -0.943 57.346 58.200 0.148 0.000 0.984 788 S CB 0.637 63.903 63.200 0.111 0.000 0.954 788 S HN 0.418 nan 8.310 nan 0.000 0.572 789 K N 0.719 121.157 120.400 0.062 0.000 2.107 789 K HA 0.186 4.508 4.320 0.003 0.000 0.251 789 K C -0.598 175.984 176.600 -0.030 0.000 1.012 789 K CA -0.463 55.831 56.287 0.013 0.000 0.920 789 K CB 0.178 32.665 32.500 -0.021 0.000 1.033 789 K HN 0.512 nan 8.250 nan 0.000 0.478 790 D N 2.018 122.332 120.400 -0.143 0.000 2.812 790 D HA -0.177 4.465 4.640 0.003 0.000 0.237 790 D C -1.068 175.191 176.300 -0.069 0.000 1.162 790 D CA 1.106 55.010 54.000 -0.160 0.000 0.740 790 D CB -0.669 40.105 40.800 -0.043 0.000 1.000 790 D HN 0.505 nan 8.370 nan 0.000 0.416 791 D N 0.257 120.582 120.400 -0.126 0.000 2.389 791 D HA 0.178 4.820 4.640 0.003 0.000 0.256 791 D C -0.357 175.888 176.300 -0.092 0.000 1.239 791 D CA -0.549 53.421 54.000 -0.049 0.000 0.925 791 D CB 0.145 40.911 40.800 -0.056 0.000 1.145 791 D HN 0.093 nan 8.370 nan 0.000 0.542 792 Y N 1.416 121.796 120.300 0.134 0.000 2.718 792 Y HA 0.173 4.724 4.550 0.003 0.000 0.322 792 Y C 1.315 177.281 175.900 0.109 0.000 1.122 792 Y CA -0.505 57.692 58.100 0.162 0.000 1.348 792 Y CB 0.006 38.624 38.460 0.264 0.000 1.174 792 Y HN 0.226 nan 8.280 nan 0.000 0.523 793 S N -0.173 115.600 115.700 0.123 0.000 2.645 793 S HA 0.226 4.697 4.470 0.003 0.000 0.266 793 S C -1.500 173.119 174.600 0.033 0.000 1.258 793 S CA -1.262 56.986 58.200 0.081 0.000 0.990 793 S CB 1.410 64.638 63.200 0.047 0.000 0.967 793 S HN 0.005 nan 8.310 nan 0.000 0.556 794 P HA -0.214 nan 4.420 nan 0.000 0.213 794 P C 1.555 178.929 177.300 0.123 0.000 1.170 794 P CA 1.664 64.802 63.100 0.064 0.000 0.902 794 P CB -0.252 31.492 31.700 0.073 0.000 0.789 795 E N 0.181 120.466 120.200 0.142 0.000 2.118 795 E HA -0.168 4.184 4.350 0.003 0.000 0.195 795 E C 2.142 178.802 176.600 0.101 0.000 0.992 795 E CA 1.546 58.054 56.400 0.180 0.000 0.804 795 E CB -1.281 28.539 29.700 0.200 0.000 0.741 795 E HN 0.216 nan 8.360 nan 0.000 0.458 796 S N 0.778 116.355 115.700 -0.204 0.000 2.406 796 S HA -0.052 4.420 4.470 0.003 0.000 0.228 796 S C 1.540 175.904 174.600 -0.392 0.000 1.020 796 S CA 0.756 58.557 58.200 -0.665 0.000 0.965 796 S CB 0.022 62.742 63.200 -0.800 0.000 0.798 796 S HN 0.219 nan 8.310 nan 0.000 0.488 797 K N 0.093 120.322 120.400 -0.286 0.000 2.440 797 K HA 0.304 4.626 4.320 0.003 0.000 0.206 797 K C 0.593 176.979 176.600 -0.356 0.000 1.025 797 K CA 0.455 56.531 56.287 -0.353 0.000 1.135 797 K CB 0.805 33.173 32.500 -0.221 0.000 0.856 797 K HN 0.409 nan 8.250 nan 0.000 0.502 798 G N 2.101 110.699 108.800 -0.337 0.000 2.173 798 G HA2 -0.231 3.731 3.960 0.003 0.000 0.174 798 G HA3 -0.231 3.731 3.960 0.003 0.000 0.174 798 G C -0.657 174.299 174.900 0.092 0.000 1.025 798 G CA -0.700 44.235 45.100 -0.276 0.000 0.706 798 G HN 0.284 nan 8.290 nan 0.000 0.499 799 F N 1.950 121.905 119.950 0.008 0.000 2.371 799 F HA 0.602 5.131 4.527 0.003 0.000 0.363 799 F C 0.432 176.270 175.800 0.064 0.000 1.122 799 F CA -1.254 56.763 58.000 0.028 0.000 1.129 799 F CB 1.434 40.444 39.000 0.016 0.000 1.173 799 F HN 0.031 nan 8.300 nan 0.000 0.489 800 V N 7.743 127.391 119.914 -0.445 0.000 2.387 800 V HA 0.043 4.165 4.120 0.003 0.000 0.260 800 V C 1.265 176.882 176.094 -0.796 0.000 1.054 800 V CA -0.133 61.900 62.300 -0.445 0.000 0.967 800 V CB 0.650 32.271 31.823 -0.337 0.000 1.036 800 V HN 0.786 nan 8.190 nan 0.000 0.481 801 E N 4.124 123.982 120.200 -0.570 0.000 2.031 801 E HA -0.126 4.226 4.350 0.003 0.000 0.193 801 E C 0.964 177.383 176.600 -0.301 0.000 0.994 801 E CA 0.953 57.091 56.400 -0.437 0.000 0.800 801 E CB 0.100 29.729 29.700 -0.119 0.000 0.752 801 E HN 0.695 nan 8.360 nan 0.000 0.447 802 N N 0.948 119.515 118.700 -0.222 0.000 2.415 802 N HA -0.005 4.737 4.740 0.003 0.000 0.248 802 N C -0.114 175.264 175.510 -0.221 0.000 1.271 802 N CA 0.271 53.223 53.050 -0.164 0.000 0.913 802 N CB 0.842 39.261 38.487 -0.113 0.000 1.129 802 N HN 0.053 nan 8.380 nan 0.000 0.444 803 S N 0.254 115.856 115.700 -0.164 0.000 2.713 803 S HA 0.266 4.738 4.470 0.003 0.000 0.283 803 S C 1.079 175.580 174.600 -0.166 0.000 1.161 803 S CA -0.654 57.436 58.200 -0.184 0.000 0.999 803 S CB 0.407 63.555 63.200 -0.085 0.000 1.039 803 S HN 0.528 nan 8.310 nan 0.000 0.548 804 Y N -0.047 120.202 120.300 -0.086 0.000 2.365 804 Y HA -0.132 4.419 4.550 0.003 0.000 0.287 804 Y C 2.174 178.052 175.900 -0.036 0.000 1.162 804 Y CA 1.011 59.072 58.100 -0.064 0.000 1.260 804 Y CB -0.045 38.376 38.460 -0.066 0.000 0.976 804 Y HN 0.511 nan 8.280 nan 0.000 0.548 805 L N 0.703 121.986 121.223 0.099 0.000 2.034 805 L HA -0.129 4.212 4.340 0.003 0.000 0.203 805 L C 2.015 178.903 176.870 0.031 0.000 1.074 805 L CA 1.721 56.594 54.840 0.055 0.000 0.748 805 L CB -0.634 41.444 42.059 0.032 0.000 0.905 805 L HN 0.187 nan 8.230 nan 0.000 0.439 806 R N 0.486 120.991 120.500 0.008 0.000 2.159 806 R HA 0.047 4.389 4.340 0.003 0.000 0.237 806 R C 0.766 177.069 176.300 0.004 0.000 1.131 806 R CA 0.650 56.750 56.100 -0.001 0.000 0.982 806 R CB -0.527 29.763 30.300 -0.017 0.000 0.868 806 R HN 0.603 nan 8.270 nan 0.000 0.453 807 G N 0.419 109.223 108.800 0.007 0.000 2.788 807 G HA2 -0.148 3.813 3.960 0.003 0.000 0.686 807 G HA3 -0.148 3.813 3.960 0.003 0.000 0.686 807 G C -0.815 174.084 174.900 -0.001 0.000 1.147 807 G CA -1.075 44.040 45.100 0.025 0.000 0.755 807 G HN 0.007 nan 8.290 nan 0.000 0.634 808 L N 1.224 122.462 121.223 0.026 0.000 2.472 808 L HA 0.685 5.027 4.340 0.003 0.000 0.260 808 L C 1.798 178.698 176.870 0.049 0.000 1.209 808 L CA 0.733 55.584 54.840 0.018 0.000 0.817 808 L CB 0.931 43.029 42.059 0.066 0.000 1.106 808 L HN 1.095 nan 8.230 nan 0.000 0.479 809 T N -2.071 112.504 114.554 0.034 0.000 2.936 809 T HA 0.456 4.807 4.350 0.003 0.000 0.282 809 T C -2.011 172.707 174.700 0.030 0.000 1.003 809 T CA -1.806 60.305 62.100 0.019 0.000 1.005 809 T CB 1.358 70.226 68.868 -0.000 0.000 1.097 809 T HN 0.343 nan 8.240 nan 0.000 0.532 810 P HA -0.170 nan 4.420 nan 0.000 0.214 810 P C 1.557 178.798 177.300 -0.098 0.000 1.169 810 P CA 1.455 64.504 63.100 -0.085 0.000 0.908 810 P CB -0.018 31.583 31.700 -0.166 0.000 0.791 811 Q N -0.353 119.323 119.800 -0.205 0.000 2.020 811 Q HA -0.172 4.170 4.340 0.003 0.000 0.202 811 Q C 2.188 177.955 176.000 -0.387 0.000 0.982 811 Q CA 1.551 57.117 55.803 -0.396 0.000 0.838 811 Q CB -0.882 27.669 28.738 -0.312 0.000 0.899 811 Q HN 0.370 nan 8.270 nan 0.000 0.423 812 E N 0.110 120.269 120.200 -0.069 0.000 2.048 812 E HA -0.260 4.091 4.350 0.003 0.000 0.202 812 E C 1.704 178.359 176.600 0.092 0.000 1.021 812 E CA 1.400 57.847 56.400 0.079 0.000 0.825 812 E CB -0.369 29.363 29.700 0.055 0.000 0.756 812 E HN 0.279 nan 8.360 nan 0.000 0.454 813 F N 0.524 120.464 119.950 -0.016 0.000 2.063 813 F HA -0.327 4.202 4.527 0.003 0.000 0.298 813 F C 2.151 177.984 175.800 0.055 0.000 1.105 813 F CA 1.917 59.942 58.000 0.041 0.000 1.215 813 F CB -0.345 38.671 39.000 0.028 0.000 0.972 813 F HN 0.024 nan 8.300 nan 0.000 0.483 814 F N -0.130 119.895 119.950 0.126 0.000 2.216 814 F HA -0.161 4.367 4.527 0.003 0.000 0.300 814 F C 1.882 177.688 175.800 0.009 0.000 1.085 814 F CA 1.451 59.472 58.000 0.034 0.000 1.326 814 F CB -0.676 38.255 39.000 -0.115 0.000 1.027 814 F HN 0.020 nan 8.300 nan 0.000 0.497 815 F N -1.112 118.946 119.950 0.180 0.000 2.060 815 F HA -0.225 4.303 4.527 0.003 0.000 0.295 815 F C 2.640 178.414 175.800 -0.042 0.000 1.120 815 F CA 1.291 59.332 58.000 0.068 0.000 1.205 815 F CB -1.082 37.997 39.000 0.132 0.000 0.986 815 F HN -0.026 nan 8.300 nan 0.000 0.470 816 H N 0.721 119.822 119.070 0.052 0.000 2.431 816 H HA -0.223 4.335 4.556 0.003 0.000 0.297 816 H C 1.938 177.158 175.328 -0.180 0.000 1.115 816 H CA 1.224 57.219 56.048 -0.088 0.000 1.277 816 H CB -0.413 29.251 29.762 -0.163 0.000 1.372 816 H HN 0.229 nan 8.280 nan 0.000 0.516 817 A N 0.282 122.896 122.820 -0.342 0.000 1.865 817 A HA -0.216 4.106 4.320 0.003 0.000 0.217 817 A C 2.547 179.926 177.584 -0.341 0.000 1.191 817 A CA 2.008 53.792 52.037 -0.422 0.000 0.623 817 A CB -0.796 17.941 19.000 -0.438 0.000 0.826 817 A HN 0.522 nan 8.150 nan 0.000 0.444 818 M N -0.221 119.195 119.600 -0.306 0.000 2.202 818 M HA -0.104 4.377 4.480 0.003 0.000 0.262 818 M C 2.128 178.355 176.300 -0.121 0.000 1.063 818 M CA 1.343 56.527 55.300 -0.194 0.000 1.097 818 M CB -0.502 32.046 32.600 -0.087 0.000 1.382 818 M HN 0.531 nan 8.290 nan 0.000 0.413 819 G N -0.295 108.439 108.800 -0.111 0.000 2.547 819 G HA2 -0.062 3.899 3.960 0.003 0.000 0.214 819 G HA3 -0.062 3.899 3.960 0.003 0.000 0.214 819 G C 1.535 176.357 174.900 -0.129 0.000 1.254 819 G CA 0.686 45.740 45.100 -0.077 0.000 0.817 819 G HN 0.509 nan 8.290 nan 0.000 0.551 820 G N 0.703 109.360 108.800 -0.237 0.000 2.545 820 G HA2 -0.338 3.624 3.960 0.003 0.000 0.222 820 G HA3 -0.338 3.624 3.960 0.003 0.000 0.222 820 G C 1.869 176.673 174.900 -0.159 0.000 1.126 820 G CA 1.559 46.519 45.100 -0.233 0.000 0.754 820 G HN 0.484 nan 8.290 nan 0.000 0.583 821 R N 0.726 121.129 120.500 -0.161 0.000 2.096 821 R HA -0.109 4.232 4.340 0.003 0.000 0.240 821 R C 2.379 178.630 176.300 -0.082 0.000 1.139 821 R CA 2.135 58.166 56.100 -0.115 0.000 0.952 821 R CB -0.740 29.491 30.300 -0.114 0.000 0.854 821 R HN 0.521 nan 8.270 nan 0.000 0.436 822 E N -1.149 119.007 120.200 -0.074 0.000 2.130 822 E HA -0.181 4.170 4.350 0.003 0.000 0.196 822 E C 1.721 178.291 176.600 -0.050 0.000 0.998 822 E CA 1.284 57.653 56.400 -0.051 0.000 0.806 822 E CB -0.398 29.280 29.700 -0.037 0.000 0.738 822 E HN 0.598 nan 8.360 nan 0.000 0.459 823 G N 1.291 110.055 108.800 -0.061 0.000 2.545 823 G HA2 -0.288 3.673 3.960 0.003 0.000 0.217 823 G HA3 -0.288 3.673 3.960 0.003 0.000 0.217 823 G C 1.512 176.384 174.900 -0.047 0.000 1.218 823 G CA 1.219 46.286 45.100 -0.054 0.000 0.787 823 G HN 0.229 nan 8.290 nan 0.000 0.571 824 L N 0.495 121.687 121.223 -0.051 0.000 2.127 824 L HA -0.101 4.241 4.340 0.003 0.000 0.211 824 L C 2.790 179.639 176.870 -0.036 0.000 1.089 824 L CA 0.409 55.224 54.840 -0.043 0.000 0.757 824 L CB -0.656 41.376 42.059 -0.046 0.000 0.899 824 L HN 0.115 nan 8.230 nan 0.000 0.434 825 I N 0.333 120.881 120.570 -0.037 0.000 2.179 825 I HA -0.246 3.925 4.170 0.003 0.000 0.242 825 I C 2.169 178.270 176.117 -0.027 0.000 1.088 825 I CA 1.554 62.836 61.300 -0.031 0.000 1.357 825 I CB -1.159 36.822 38.000 -0.031 0.000 1.051 825 I HN 0.280 nan 8.210 nan 0.000 0.409 826 D N 0.866 121.248 120.400 -0.029 0.000 2.075 826 D HA -0.143 4.499 4.640 0.003 0.000 0.196 826 D C 2.248 178.534 176.300 -0.024 0.000 0.985 826 D CA 2.348 56.332 54.000 -0.026 0.000 0.834 826 D CB -0.798 39.985 40.800 -0.029 0.000 0.987 826 D HN 0.349 nan 8.370 nan 0.000 0.452 827 T N -0.663 113.875 114.554 -0.026 0.000 2.802 827 T HA -0.164 4.188 4.350 0.003 0.000 0.269 827 T C 1.949 176.636 174.700 -0.022 0.000 1.062 827 T CA 1.613 63.699 62.100 -0.024 0.000 1.133 827 T CB -0.422 68.430 68.868 -0.026 0.000 0.852 827 T HN 0.162 nan 8.240 nan 0.000 0.485 828 A N 0.831 123.638 122.820 -0.023 0.000 1.874 828 A HA 0.247 4.569 4.320 0.003 0.000 0.214 828 A C 2.429 180.001 177.584 -0.019 0.000 1.189 828 A CA 1.431 53.455 52.037 -0.021 0.000 0.615 828 A CB -0.269 18.718 19.000 -0.021 0.000 0.830 828 A HN 0.496 nan 8.150 nan 0.000 0.443 829 V N -1.355 118.548 119.914 -0.019 0.000 3.612 829 V HA 0.129 4.251 4.120 0.003 0.000 0.268 829 V C 1.954 178.040 176.094 -0.014 0.000 1.365 829 V CA 0.907 63.196 62.300 -0.018 0.000 1.044 829 V CB 0.005 31.817 31.823 -0.018 0.000 0.820 829 V HN 0.533 nan 8.190 nan 0.000 0.444 830 K N 1.044 121.436 120.400 -0.013 0.000 2.167 830 K HA -0.093 4.228 4.320 0.003 0.000 0.203 830 K C 2.046 178.645 176.600 -0.001 0.000 1.052 830 K CA 1.575 57.857 56.287 -0.008 0.000 0.956 830 K CB -0.053 32.440 32.500 -0.013 0.000 0.735 830 K HN 0.476 nan 8.250 nan 0.000 0.451 831 T N 1.041 115.591 114.554 -0.005 0.000 2.759 831 T HA -0.159 4.192 4.350 0.003 0.000 0.269 831 T C 1.832 176.539 174.700 0.012 0.000 1.042 831 T CA 1.319 63.419 62.100 -0.002 0.000 1.140 831 T CB -0.344 68.518 68.868 -0.010 0.000 0.864 831 T HN 0.351 nan 8.240 nan 0.000 0.455 832 A N 0.994 123.819 122.820 0.007 0.000 2.245 832 A HA -0.145 4.176 4.320 0.003 0.000 0.217 832 A C 2.118 179.729 177.584 0.046 0.000 1.171 832 A CA 1.386 53.431 52.037 0.012 0.000 0.688 832 A CB -0.435 18.555 19.000 -0.016 0.000 0.781 832 A HN 0.615 nan 8.150 nan 0.000 0.479 833 E N -1.577 118.657 120.200 0.057 0.000 2.152 833 E HA -0.039 4.313 4.350 0.003 0.000 0.195 833 E C 1.727 178.391 176.600 0.107 0.000 0.934 833 E CA 0.880 57.344 56.400 0.107 0.000 0.869 833 E CB -0.079 29.665 29.700 0.073 0.000 0.842 833 E HN 0.522 nan 8.360 nan 0.000 0.472 834 T N 0.280 114.865 114.554 0.052 0.000 2.969 834 T HA -0.125 4.227 4.350 0.003 0.000 0.271 834 T C 1.561 176.274 174.700 0.021 0.000 1.127 834 T CA 1.125 63.239 62.100 0.024 0.000 1.102 834 T CB -0.170 68.698 68.868 0.000 0.000 0.855 834 T HN 0.271 nan 8.240 nan 0.000 0.536 835 G N -0.942 107.889 108.800 0.051 0.000 2.784 835 G HA2 0.055 4.017 3.960 0.003 0.000 0.208 835 G HA3 0.055 4.017 3.960 0.003 0.000 0.208 835 G C 1.092 176.056 174.900 0.107 0.000 1.120 835 G CA -0.267 44.863 45.100 0.049 0.000 0.774 835 G HN 0.455 nan 8.290 nan 0.000 0.528 836 Y N 1.166 121.468 120.300 0.002 0.000 2.337 836 Y HA 0.117 4.668 4.550 0.003 0.000 0.293 836 Y C 2.337 178.265 175.900 0.047 0.000 1.123 836 Y CA 0.078 58.191 58.100 0.021 0.000 1.201 836 Y CB 0.017 38.489 38.460 0.019 0.000 1.011 836 Y HN 0.053 nan 8.280 nan 0.000 0.545 837 I N 0.711 121.270 120.570 -0.019 0.000 2.127 837 I HA -0.325 3.846 4.170 0.003 0.000 0.241 837 I C 2.524 178.571 176.117 -0.116 0.000 1.075 837 I CA 1.450 62.691 61.300 -0.098 0.000 1.334 837 I CB -1.400 36.585 38.000 -0.024 0.000 1.040 837 I HN 0.323 nan 8.210 nan 0.000 0.405 838 Q N 0.344 120.102 119.800 -0.070 0.000 2.077 838 Q HA -0.244 4.098 4.340 0.003 0.000 0.206 838 Q C 2.460 178.415 176.000 -0.074 0.000 0.989 838 Q CA 1.755 57.513 55.803 -0.075 0.000 0.853 838 Q CB -0.197 28.505 28.738 -0.060 0.000 0.907 838 Q HN 0.442 nan 8.270 nan 0.000 0.418 839 R N -0.291 120.179 120.500 -0.050 0.000 2.096 839 R HA -0.110 4.231 4.340 0.003 0.000 0.235 839 R C 2.402 178.712 176.300 0.017 0.000 1.127 839 R CA 1.246 57.345 56.100 -0.001 0.000 0.968 839 R CB 0.024 30.358 30.300 0.057 0.000 0.861 839 R HN 0.195 nan 8.270 nan 0.000 0.440 840 R N 0.223 120.673 120.500 -0.082 0.000 2.055 840 R HA -0.042 4.300 4.340 0.003 0.000 0.228 840 R C 2.401 178.543 176.300 -0.264 0.000 1.143 840 R CA 1.127 57.183 56.100 -0.073 0.000 0.945 840 R CB -0.536 29.686 30.300 -0.130 0.000 0.841 840 R HN 0.114 nan 8.270 nan 0.000 0.429 841 L N 0.405 121.489 121.223 -0.232 0.000 1.991 841 L HA -0.312 4.029 4.340 0.003 0.000 0.221 841 L C 2.447 179.169 176.870 -0.246 0.000 1.079 841 L CA 1.576 56.267 54.840 -0.248 0.000 0.778 841 L CB -0.847 41.111 42.059 -0.169 0.000 0.893 841 L HN 0.092 nan 8.230 nan 0.000 0.437 842 V N -0.503 119.312 119.914 -0.164 0.000 2.282 842 V HA -0.303 3.819 4.120 0.003 0.000 0.249 842 V C 2.591 178.600 176.094 -0.141 0.000 1.057 842 V CA 1.756 63.980 62.300 -0.125 0.000 1.032 842 V CB -0.547 31.233 31.823 -0.072 0.000 0.645 842 V HN 0.384 nan 8.190 nan 0.000 0.447 843 K N -0.322 119.993 120.400 -0.141 0.000 2.288 843 K HA 0.033 4.354 4.320 0.003 0.000 0.201 843 K C 2.040 178.462 176.600 -0.297 0.000 1.048 843 K CA 1.268 57.486 56.287 -0.114 0.000 0.956 843 K CB -0.285 32.262 32.500 0.079 0.000 0.746 843 K HN 0.506 nan 8.250 nan 0.000 0.461 844 A N 0.200 122.618 122.820 -0.671 0.000 2.081 844 A HA 0.071 4.393 4.320 0.003 0.000 0.214 844 A C 1.975 179.308 177.584 -0.418 0.000 1.158 844 A CA 0.494 51.955 52.037 -0.960 0.000 0.724 844 A CB 0.001 17.998 19.000 -1.672 0.000 0.826 844 A HN 0.148 nan 8.150 nan 0.000 0.463 845 L N -2.385 118.665 121.223 -0.287 0.000 2.356 845 L HA 0.138 4.479 4.340 0.003 0.000 0.193 845 L C 1.817 178.627 176.870 -0.101 0.000 1.087 845 L CA 0.763 55.505 54.840 -0.163 0.000 0.817 845 L CB -0.808 41.171 42.059 -0.134 0.000 1.035 845 L HN 0.508 nan 8.230 nan 0.000 0.482 846 E N 1.291 121.434 120.200 -0.095 0.000 3.681 846 E HA -0.409 3.943 4.350 0.003 0.000 0.444 846 E C 0.713 177.291 176.600 -0.038 0.000 1.570 846 E CA 2.448 58.813 56.400 -0.059 0.000 1.415 846 E CB -0.903 28.768 29.700 -0.047 0.000 1.310 846 E HN 0.731 nan 8.360 nan 0.000 0.346 847 D N 0.975 121.360 120.400 -0.025 0.000 2.346 847 D HA -0.040 4.602 4.640 0.003 0.000 0.248 847 D C 0.487 176.789 176.300 0.003 0.000 1.173 847 D CA 0.289 54.283 54.000 -0.010 0.000 0.878 847 D CB -0.368 40.434 40.800 0.002 0.000 0.919 847 D HN 0.167 nan 8.370 nan 0.000 0.513 848 I N 2.322 122.889 120.570 -0.004 0.000 2.256 848 I HA 0.163 4.334 4.170 0.003 0.000 0.294 848 I C 0.590 176.718 176.117 0.018 0.000 1.127 848 I CA -0.184 61.126 61.300 0.017 0.000 1.247 848 I CB 0.087 38.094 38.000 0.011 0.000 1.460 848 I HN 0.104 nan 8.210 nan 0.000 0.511 849 M N 5.425 125.043 119.600 0.029 0.000 2.508 849 M HA 0.619 5.101 4.480 0.003 0.000 0.327 849 M C -0.906 175.414 176.300 0.033 0.000 1.160 849 M CA -0.721 54.564 55.300 -0.024 0.000 0.980 849 M CB 2.061 34.596 32.600 -0.108 0.000 1.693 849 M HN -0.012 nan 8.290 nan 0.000 0.452 850 V N 3.576 123.459 119.914 -0.051 0.000 2.572 850 V HA 0.190 4.312 4.120 0.003 0.000 0.291 850 V C 0.410 176.466 176.094 -0.063 0.000 1.039 850 V CA -0.071 62.216 62.300 -0.022 0.000 1.055 850 V CB -0.248 31.494 31.823 -0.135 0.000 0.969 850 V HN 0.819 nan 8.190 nan 0.000 0.482 851 H N 2.854 121.856 119.070 -0.112 0.000 2.523 851 H HA 0.253 4.811 4.556 0.003 0.000 0.345 851 H C -0.086 175.158 175.328 -0.139 0.000 1.261 851 H CA -0.497 55.480 56.048 -0.118 0.000 1.343 851 H CB 1.205 30.955 29.762 -0.019 0.000 1.650 851 H HN 0.599 nan 8.280 nan 0.000 0.591 852 Y N 0.644 121.022 120.300 0.131 0.000 2.688 852 Y HA -0.129 4.422 4.550 0.003 0.000 0.311 852 Y C 1.192 177.129 175.900 0.062 0.000 1.185 852 Y CA 0.438 58.577 58.100 0.065 0.000 1.336 852 Y CB -0.021 38.464 38.460 0.043 0.000 1.015 852 Y HN 0.571 nan 8.280 nan 0.000 0.522 853 D N -2.920 117.587 120.400 0.178 0.000 2.433 853 D HA -0.002 4.640 4.640 0.003 0.000 0.211 853 D C 0.685 177.035 176.300 0.083 0.000 1.114 853 D CA 0.087 54.155 54.000 0.114 0.000 0.837 853 D CB -0.223 40.628 40.800 0.085 0.000 0.984 853 D HN 0.035 nan 8.370 nan 0.000 0.505 854 N N -0.168 118.577 118.700 0.075 0.000 2.965 854 N HA -0.150 4.591 4.740 0.003 0.000 0.232 854 N C -0.509 175.042 175.510 0.067 0.000 0.913 854 N CA 1.329 54.413 53.050 0.057 0.000 0.981 854 N CB -1.588 36.932 38.487 0.056 0.000 1.077 854 N HN 0.619 nan 8.380 nan 0.000 0.589 855 T N -1.940 112.639 114.554 0.042 0.000 2.904 855 T HA 0.451 4.802 4.350 0.003 0.000 0.290 855 T C 0.377 175.072 174.700 -0.008 0.000 1.018 855 T CA -0.042 62.051 62.100 -0.010 0.000 1.075 855 T CB 1.813 70.610 68.868 -0.118 0.000 0.986 855 T HN 0.051 nan 8.240 nan 0.000 0.523 856 T N 3.904 118.446 114.554 -0.020 0.000 2.762 856 T HA 0.486 4.837 4.350 0.003 0.000 0.303 856 T C 0.137 174.806 174.700 -0.051 0.000 0.977 856 T CA -0.693 61.423 62.100 0.027 0.000 0.961 856 T CB -0.102 68.818 68.868 0.087 0.000 0.944 856 T HN 0.770 nan 8.240 nan 0.000 0.481 857 R N 2.511 122.996 120.500 -0.026 0.000 2.808 857 R HA 0.542 4.884 4.340 0.003 0.000 0.272 857 R C -0.204 176.105 176.300 0.015 0.000 0.995 857 R CA -1.176 54.873 56.100 -0.085 0.000 0.917 857 R CB 1.514 31.664 30.300 -0.249 0.000 1.217 857 R HN 0.630 nan 8.270 nan 0.000 0.471 858 N N -0.229 118.467 118.700 -0.007 0.000 2.531 858 N HA 0.058 4.799 4.740 0.003 0.000 0.301 858 N C 0.402 175.938 175.510 0.043 0.000 1.310 858 N CA -0.473 52.592 53.050 0.025 0.000 0.949 858 N CB 0.714 39.203 38.487 0.003 0.000 1.111 858 N HN 0.624 nan 8.380 nan 0.000 0.565 859 S N -0.545 115.176 115.700 0.035 0.000 2.469 859 S HA -0.045 4.426 4.470 0.003 0.000 0.238 859 S C 1.630 176.246 174.600 0.027 0.000 0.998 859 S CA 0.639 58.863 58.200 0.039 0.000 0.957 859 S CB -0.564 62.654 63.200 0.029 0.000 0.764 859 S HN 0.494 nan 8.310 nan 0.000 0.514 860 L N 0.495 121.724 121.223 0.009 0.000 2.640 860 L HA 0.378 4.719 4.340 0.003 0.000 0.230 860 L C 1.861 178.720 176.870 -0.018 0.000 1.123 860 L CA 0.318 55.158 54.840 -0.000 0.000 0.900 860 L CB -0.431 41.626 42.059 -0.002 0.000 1.146 860 L HN 0.525 nan 8.230 nan 0.000 0.484 861 G N 0.161 108.939 108.800 -0.037 0.000 2.179 861 G HA2 -0.278 3.683 3.960 0.003 0.000 0.260 861 G HA3 -0.278 3.683 3.960 0.003 0.000 0.260 861 G C 0.163 174.995 174.900 -0.113 0.000 0.977 861 G CA -0.073 44.972 45.100 -0.092 0.000 0.641 861 G HN 0.387 nan 8.290 nan 0.000 0.533 862 N N 0.803 119.456 118.700 -0.079 0.000 2.440 862 N HA 0.330 5.071 4.740 0.003 0.000 0.265 862 N C 0.730 176.161 175.510 -0.131 0.000 1.239 862 N CA 0.134 53.134 53.050 -0.083 0.000 0.909 862 N CB 1.258 39.718 38.487 -0.045 0.000 1.066 862 N HN 0.226 nan 8.380 nan 0.000 0.474 863 V N 3.830 123.625 119.914 -0.197 0.000 2.872 863 V HA -0.005 4.116 4.120 0.003 0.000 0.307 863 V C 1.546 177.505 176.094 -0.226 0.000 1.072 863 V CA 0.212 62.322 62.300 -0.318 0.000 1.148 863 V CB 0.547 31.989 31.823 -0.636 0.000 0.954 863 V HN 0.531 nan 8.190 nan 0.000 0.490 864 I N 1.955 122.407 120.570 -0.196 0.000 3.366 864 I HA 0.234 4.406 4.170 0.003 0.000 0.267 864 I C 0.673 176.740 176.117 -0.083 0.000 1.149 864 I CA 0.651 61.892 61.300 -0.100 0.000 1.436 864 I CB -0.346 37.624 38.000 -0.050 0.000 1.379 864 I HN 0.593 nan 8.210 nan 0.000 0.460 865 Q N -0.635 119.105 119.800 -0.100 0.000 2.433 865 Q HA 0.436 4.778 4.340 0.003 0.000 0.279 865 Q C -0.414 175.533 176.000 -0.088 0.000 1.105 865 Q CA -0.591 55.205 55.803 -0.012 0.000 0.815 865 Q CB 2.660 31.418 28.738 0.034 0.000 1.403 865 Q HN -0.019 nan 8.270 nan 0.000 0.435 866 F N 0.221 120.180 119.950 0.016 0.000 2.698 866 F HA 0.297 4.826 4.527 0.003 0.000 0.295 866 F C 0.362 176.181 175.800 0.033 0.000 1.124 866 F CA 0.301 58.312 58.000 0.019 0.000 1.426 866 F CB 0.709 39.715 39.000 0.010 0.000 1.120 866 F HN 0.291 nan 8.300 nan 0.000 0.583 867 I N -1.676 119.005 120.570 0.185 0.000 2.610 867 I HA 0.145 4.316 4.170 0.003 0.000 0.289 867 I C -0.981 175.215 176.117 0.133 0.000 1.163 867 I CA -1.400 59.984 61.300 0.140 0.000 1.044 867 I CB 1.185 39.255 38.000 0.117 0.000 1.251 867 I HN -0.230 nan 8.210 nan 0.000 0.424 868 Y N 5.722 126.040 120.300 0.030 0.000 2.895 868 Y HA 0.225 4.776 4.550 0.003 0.000 0.334 868 Y C 1.466 177.386 175.900 0.033 0.000 1.261 868 Y CA 1.327 59.439 58.100 0.020 0.000 1.560 868 Y CB 0.497 38.959 38.460 0.005 0.000 1.253 868 Y HN 0.915 nan 8.280 nan 0.000 0.582 869 G N 4.686 113.104 108.800 -0.636 0.000 2.321 869 G HA2 -0.378 3.584 3.960 0.003 0.000 0.287 869 G HA3 -0.378 3.584 3.960 0.003 0.000 0.287 869 G C 0.447 175.288 174.900 -0.098 0.000 1.018 869 G CA 0.855 45.672 45.100 -0.473 0.000 0.855 869 G HN 1.036 nan 8.290 nan 0.000 0.507 870 E N -2.277 117.906 120.200 -0.028 0.000 3.975 870 E HA -0.283 4.068 4.350 0.003 0.000 0.342 870 E C 0.912 177.531 176.600 0.031 0.000 0.677 870 E CA 1.568 57.984 56.400 0.027 0.000 1.238 870 E CB -0.913 28.809 29.700 0.037 0.000 1.665 870 E HN 0.888 nan 8.360 nan 0.000 0.429 871 D N -0.993 119.425 120.400 0.030 0.000 2.567 871 D HA 0.141 4.782 4.640 0.003 0.000 0.268 871 D C 0.790 177.124 176.300 0.058 0.000 1.448 871 D CA 0.529 54.559 54.000 0.051 0.000 0.811 871 D CB -0.174 40.654 40.800 0.047 0.000 1.192 871 D HN 0.330 nan 8.370 nan 0.000 0.488 872 G N 1.415 110.274 108.800 0.099 0.000 2.350 872 G HA2 -0.235 3.726 3.960 0.003 0.000 0.298 872 G HA3 -0.235 3.726 3.960 0.003 0.000 0.298 872 G C -0.330 174.610 174.900 0.067 0.000 1.037 872 G CA 0.714 45.892 45.100 0.130 0.000 1.074 872 G HN 0.377 nan 8.290 nan 0.000 0.511 873 M N 0.484 120.165 119.600 0.135 0.000 2.321 873 M HA 0.443 4.925 4.480 0.003 0.000 0.315 873 M C -0.478 175.921 176.300 0.166 0.000 1.052 873 M CA -1.407 53.918 55.300 0.040 0.000 0.936 873 M CB 1.758 34.347 32.600 -0.018 0.000 1.639 873 M HN 0.158 nan 8.290 nan 0.000 0.433 874 D N 3.173 123.639 120.400 0.109 0.000 2.346 874 D HA 0.316 4.958 4.640 0.003 0.000 0.260 874 D C 0.979 177.398 176.300 0.197 0.000 1.252 874 D CA 0.417 54.525 54.000 0.179 0.000 0.895 874 D CB 1.146 42.092 40.800 0.244 0.000 1.097 874 D HN 0.758 nan 8.370 nan 0.000 0.489 875 A N 4.556 127.480 122.820 0.174 0.000 2.023 875 A HA -0.268 4.054 4.320 0.003 0.000 0.223 875 A C 2.159 179.799 177.584 0.094 0.000 1.180 875 A CA 2.516 54.623 52.037 0.118 0.000 0.659 875 A CB -0.750 18.302 19.000 0.087 0.000 0.817 875 A HN 0.710 nan 8.150 nan 0.000 0.466 876 A N -0.513 122.336 122.820 0.048 0.000 1.851 876 A HA -0.186 4.136 4.320 0.003 0.000 0.216 876 A C 1.458 178.965 177.584 -0.129 0.000 1.195 876 A CA 1.299 53.275 52.037 -0.102 0.000 0.622 876 A CB -0.962 17.851 19.000 -0.312 0.000 0.831 876 A HN 0.740 nan 8.150 nan 0.000 0.444 877 H N -0.668 118.423 119.070 0.035 0.000 2.983 877 H HA 0.485 5.043 4.556 0.003 0.000 0.222 877 H C -0.937 174.400 175.328 0.015 0.000 1.828 877 H CA 0.169 56.220 56.048 0.005 0.000 1.309 877 H CB -0.698 29.040 29.762 -0.040 0.000 1.644 877 H HN 0.313 nan 8.280 nan 0.000 0.561 878 I N 1.508 122.161 120.570 0.140 0.000 2.827 878 I HA 0.187 4.359 4.170 0.003 0.000 0.298 878 I C -0.817 175.423 176.117 0.206 0.000 1.235 878 I CA -0.741 60.649 61.300 0.150 0.000 1.021 878 I CB 2.820 40.905 38.000 0.142 0.000 1.259 878 I HN 0.297 nan 8.210 nan 0.000 0.427 879 E N 3.938 124.256 120.200 0.197 0.000 2.375 879 E HA 0.312 4.664 4.350 0.003 0.000 0.280 879 E C -1.670 175.028 176.600 0.164 0.000 0.972 879 E CA -1.288 55.240 56.400 0.213 0.000 0.782 879 E CB 1.851 31.729 29.700 0.295 0.000 1.229 879 E HN 0.516 nan 8.360 nan 0.000 0.439 880 K N 2.205 122.676 120.400 0.119 0.000 2.363 880 K HA 0.122 4.444 4.320 0.003 0.000 0.289 880 K C -0.653 175.981 176.600 0.056 0.000 1.063 880 K CA -0.174 56.153 56.287 0.067 0.000 0.967 880 K CB 0.285 32.765 32.500 -0.034 0.000 0.987 880 K HN 0.551 nan 8.250 nan 0.000 0.473 881 Q N 1.974 121.825 119.800 0.084 0.000 2.340 881 Q HA 0.251 4.592 4.340 0.003 0.000 0.268 881 Q C -0.821 175.217 176.000 0.064 0.000 1.031 881 Q CA -1.042 54.807 55.803 0.078 0.000 0.804 881 Q CB 1.718 30.525 28.738 0.115 0.000 1.286 881 Q HN 0.728 nan 8.270 nan 0.000 0.448 882 S N 2.516 118.237 115.700 0.035 0.000 2.572 882 S HA 0.259 4.730 4.470 0.003 0.000 0.279 882 S C 0.066 174.706 174.600 0.065 0.000 1.341 882 S CA -0.601 57.613 58.200 0.023 0.000 1.043 882 S CB 0.171 63.374 63.200 0.005 0.000 0.887 882 S HN 0.594 nan 8.310 nan 0.000 0.516 883 L N 2.506 123.770 121.223 0.068 0.000 2.353 883 L HA 0.296 4.637 4.340 0.003 0.000 0.269 883 L C -0.416 176.511 176.870 0.096 0.000 1.085 883 L CA -0.773 54.120 54.840 0.088 0.000 0.938 883 L CB -0.198 41.916 42.059 0.093 0.000 1.312 883 L HN 0.662 nan 8.230 nan 0.000 0.429 884 D N 0.148 120.619 120.400 0.117 0.000 2.745 884 D HA 0.007 4.649 4.640 0.003 0.000 0.229 884 D C 0.778 177.193 176.300 0.192 0.000 1.088 884 D CA -0.134 53.955 54.000 0.148 0.000 1.054 884 D CB -0.162 40.730 40.800 0.153 0.000 1.132 884 D HN 0.403 nan 8.370 nan 0.000 0.464 885 T N -1.683 112.960 114.554 0.148 0.000 3.087 885 T HA 0.188 4.539 4.350 0.003 0.000 0.283 885 T C 1.358 176.139 174.700 0.134 0.000 0.956 885 T CA -0.249 61.940 62.100 0.147 0.000 0.894 885 T CB 0.577 69.481 68.868 0.060 0.000 1.160 885 T HN 0.156 nan 8.240 nan 0.000 0.532 886 I N 1.366 122.017 120.570 0.134 0.000 4.518 886 I HA 0.323 4.495 4.170 0.003 0.000 0.231 886 I C 1.621 177.853 176.117 0.193 0.000 1.003 886 I CA 0.150 61.536 61.300 0.143 0.000 1.610 886 I CB -1.322 36.744 38.000 0.110 0.000 1.481 886 I HN 0.226 nan 8.210 nan 0.000 0.462 887 G N 0.924 109.821 108.800 0.163 0.000 2.272 887 G HA2 0.396 4.358 3.960 0.003 0.000 0.247 887 G HA3 0.396 4.358 3.960 0.003 0.000 0.247 887 G C 0.081 175.084 174.900 0.172 0.000 1.272 887 G CA 0.670 45.885 45.100 0.191 0.000 0.921 887 G HN 0.815 nan 8.290 nan 0.000 0.495 888 G N 0.593 109.495 108.800 0.169 0.000 2.368 888 G HA2 0.437 4.399 3.960 0.003 0.000 0.301 888 G HA3 0.437 4.399 3.960 0.003 0.000 0.301 888 G C -0.392 174.582 174.900 0.124 0.000 1.640 888 G CA -0.479 44.714 45.100 0.155 0.000 0.941 888 G HN 1.000 nan 8.290 nan 0.000 0.695 889 S N 0.982 116.751 115.700 0.115 0.000 2.549 889 S HA 0.193 4.664 4.470 0.003 0.000 0.283 889 S C 1.105 175.765 174.600 0.099 0.000 1.320 889 S CA -0.270 57.980 58.200 0.083 0.000 1.058 889 S CB 1.382 64.627 63.200 0.076 0.000 0.882 889 S HN 0.589 nan 8.310 nan 0.000 0.498 890 D N 2.210 122.635 120.400 0.041 0.000 2.220 890 D HA -0.204 4.438 4.640 0.003 0.000 0.198 890 D C 1.826 178.190 176.300 0.107 0.000 1.001 890 D CA 1.782 55.797 54.000 0.026 0.000 0.875 890 D CB -0.086 40.708 40.800 -0.011 0.000 0.921 890 D HN 0.648 nan 8.370 nan 0.000 0.454 891 A N 0.821 123.708 122.820 0.112 0.000 1.881 891 A HA 0.254 4.575 4.320 0.003 0.000 0.210 891 A C 2.300 179.988 177.584 0.174 0.000 1.239 891 A CA 1.280 53.397 52.037 0.134 0.000 0.629 891 A CB -0.720 18.332 19.000 0.086 0.000 0.906 891 A HN 0.168 nan 8.150 nan 0.000 0.460 892 A N -1.076 121.831 122.820 0.145 0.000 2.148 892 A HA -0.173 4.149 4.320 0.003 0.000 0.222 892 A C 1.921 179.626 177.584 0.201 0.000 1.161 892 A CA 1.737 53.857 52.037 0.138 0.000 0.662 892 A CB -0.842 18.221 19.000 0.105 0.000 0.799 892 A HN 0.756 nan 8.150 nan 0.000 0.466 893 F N 0.280 120.307 119.950 0.130 0.000 2.163 893 F HA -0.069 4.460 4.527 0.003 0.000 0.297 893 F C 2.100 178.064 175.800 0.273 0.000 1.094 893 F CA 1.880 60.002 58.000 0.203 0.000 1.290 893 F CB -0.188 38.888 39.000 0.127 0.000 1.017 893 F HN 0.387 nan 8.300 nan 0.000 0.483 894 E N 0.557 120.997 120.200 0.400 0.000 2.038 894 E HA -0.302 4.050 4.350 0.003 0.000 0.195 894 E C 2.082 178.760 176.600 0.131 0.000 1.000 894 E CA 1.624 58.207 56.400 0.305 0.000 0.803 894 E CB -0.131 29.712 29.700 0.239 0.000 0.750 894 E HN 0.157 nan 8.360 nan 0.000 0.448 895 K N 0.045 120.506 120.400 0.101 0.000 2.228 895 K HA -0.141 4.181 4.320 0.003 0.000 0.205 895 K C 2.035 178.601 176.600 -0.057 0.000 1.045 895 K CA 1.213 57.520 56.287 0.035 0.000 0.931 895 K CB 0.072 32.590 32.500 0.029 0.000 0.727 895 K HN 0.034 nan 8.250 nan 0.000 0.458 896 R N -1.862 118.566 120.500 -0.119 0.000 2.146 896 R HA 0.102 4.444 4.340 0.003 0.000 0.206 896 R C 1.171 177.107 176.300 -0.607 0.000 1.049 896 R CA 1.004 56.871 56.100 -0.389 0.000 1.029 896 R CB 0.259 30.276 30.300 -0.471 0.000 0.949 896 R HN 0.281 nan 8.270 nan 0.000 0.471 897 Y N -0.708 119.465 120.300 -0.212 0.000 2.426 897 Y HA 0.284 4.835 4.550 0.003 0.000 0.249 897 Y C 0.581 176.516 175.900 0.058 0.000 1.103 897 Y CA -0.608 57.418 58.100 -0.123 0.000 1.256 897 Y CB 0.381 38.670 38.460 -0.285 0.000 1.208 897 Y HN -0.254 nan 8.280 nan 0.000 0.519 898 R N 1.583 122.173 120.500 0.150 0.000 2.267 898 R HA 0.437 4.778 4.340 0.003 0.000 0.319 898 R C -1.404 174.857 176.300 -0.064 0.000 1.067 898 R CA -0.231 55.833 56.100 -0.060 0.000 0.936 898 R CB 0.216 30.363 30.300 -0.254 0.000 1.006 898 R HN -0.070 nan 8.270 nan 0.000 0.452 899 V N 5.048 124.920 119.914 -0.070 0.000 2.357 899 V HA 0.240 4.362 4.120 0.003 0.000 0.284 899 V C -0.650 175.401 176.094 -0.072 0.000 1.018 899 V CA -0.605 61.667 62.300 -0.047 0.000 0.841 899 V CB 1.593 33.402 31.823 -0.023 0.000 0.991 899 V HN 0.705 nan 8.190 nan 0.000 0.437 900 D N 4.718 125.091 120.400 -0.044 0.000 2.460 900 D HA 0.339 4.980 4.640 0.003 0.000 0.268 900 D C 1.149 177.440 176.300 -0.015 0.000 1.153 900 D CA -0.225 53.747 54.000 -0.048 0.000 0.929 900 D CB 0.947 41.709 40.800 -0.064 0.000 1.015 900 D HN 0.391 nan 8.370 nan 0.000 0.502 901 L N 1.418 122.627 121.223 -0.022 0.000 1.991 901 L HA -0.259 4.083 4.340 0.003 0.000 0.221 901 L C 1.535 178.398 176.870 -0.012 0.000 1.079 901 L CA 1.289 56.119 54.840 -0.017 0.000 0.778 901 L CB -0.484 41.564 42.059 -0.019 0.000 0.893 901 L HN 0.418 nan 8.230 nan 0.000 0.437 902 L N -0.966 120.248 121.223 -0.015 0.000 2.801 902 L HA 0.205 4.547 4.340 0.003 0.000 0.250 902 L C 0.047 176.914 176.870 -0.005 0.000 1.222 902 L CA 0.485 55.318 54.840 -0.012 0.000 1.054 902 L CB -1.237 40.813 42.059 -0.015 0.000 1.330 902 L HN 0.170 nan 8.230 nan 0.000 0.426 903 N N -0.971 117.733 118.700 0.007 0.000 2.533 903 N HA 0.184 4.925 4.740 0.003 0.000 0.289 903 N C 0.729 176.258 175.510 0.032 0.000 1.103 903 N CA -0.171 52.897 53.050 0.030 0.000 0.877 903 N CB 1.451 39.972 38.487 0.056 0.000 1.419 903 N HN 0.045 nan 8.380 nan 0.000 0.517 904 T N 0.575 115.138 114.554 0.015 0.000 2.946 904 T HA -0.094 4.257 4.350 0.003 0.000 0.271 904 T C 0.396 175.081 174.700 -0.026 0.000 1.104 904 T CA 1.203 63.299 62.100 -0.006 0.000 1.114 904 T CB 0.102 68.964 68.868 -0.010 0.000 0.867 904 T HN 0.477 nan 8.240 nan 0.000 0.513 905 D N 0.083 120.470 120.400 -0.021 0.000 2.380 905 D HA 0.077 4.719 4.640 0.003 0.000 0.212 905 D C 1.089 177.218 176.300 -0.286 0.000 1.021 905 D CA 0.718 54.632 54.000 -0.143 0.000 0.884 905 D CB 0.051 40.759 40.800 -0.154 0.000 1.001 905 D HN 0.497 nan 8.370 nan 0.000 0.506 906 H N -0.793 118.252 119.070 -0.042 0.000 2.674 906 H HA 0.278 4.835 4.556 0.003 0.000 0.274 906 H C 0.274 175.568 175.328 -0.057 0.000 1.121 906 H CA -0.055 55.962 56.048 -0.052 0.000 1.132 906 H CB 0.511 30.236 29.762 -0.062 0.000 1.606 906 H HN -0.154 nan 8.280 nan 0.000 0.558 907 T N 1.752 116.323 114.554 0.028 0.000 2.689 907 T HA 0.243 4.595 4.350 0.003 0.000 0.308 907 T C 0.434 175.121 174.700 -0.021 0.000 1.021 907 T CA -0.606 61.493 62.100 -0.002 0.000 0.973 907 T CB 0.602 69.464 68.868 -0.011 0.000 1.113 907 T HN 0.244 nan 8.240 nan 0.000 0.522 908 L N 0.016 121.222 121.223 -0.028 0.000 2.305 908 L HA 0.620 4.962 4.340 0.003 0.000 0.284 908 L C -0.454 176.395 176.870 -0.035 0.000 1.013 908 L CA -1.156 53.663 54.840 -0.036 0.000 0.819 908 L CB 0.939 42.975 42.059 -0.039 0.000 1.227 908 L HN 0.383 nan 8.230 nan 0.000 0.417 909 D N 5.220 125.597 120.400 -0.038 0.000 2.648 909 D HA 0.015 4.657 4.640 0.003 0.000 0.229 909 D C -1.538 174.744 176.300 -0.029 0.000 1.119 909 D CA -0.759 53.221 54.000 -0.034 0.000 0.850 909 D CB 1.258 42.038 40.800 -0.034 0.000 1.169 909 D HN 0.452 nan 8.370 nan 0.000 0.489 910 P HA -0.138 nan 4.420 nan 0.000 0.224 910 P C 0.684 177.971 177.300 -0.021 0.000 1.142 910 P CA 1.073 64.159 63.100 -0.023 0.000 0.778 910 P CB 0.026 31.714 31.700 -0.021 0.000 0.764 911 S N -2.063 113.624 115.700 -0.020 0.000 2.631 911 S HA 0.106 4.578 4.470 0.003 0.000 0.217 911 S C 1.090 175.681 174.600 -0.015 0.000 0.958 911 S CA 0.119 58.310 58.200 -0.016 0.000 0.920 911 S CB -0.910 62.282 63.200 -0.013 0.000 0.776 911 S HN 0.131 nan 8.310 nan 0.000 0.517 912 L N 0.445 121.655 121.223 -0.021 0.000 3.016 912 L HA 0.576 4.917 4.340 0.003 0.000 0.267 912 L C -0.584 176.268 176.870 -0.030 0.000 1.182 912 L CA -0.175 54.651 54.840 -0.023 0.000 0.997 912 L CB 0.976 43.017 42.059 -0.029 0.000 1.354 912 L HN 0.296 nan 8.230 nan 0.000 0.569 913 L N -1.289 119.917 121.223 -0.029 0.000 2.700 913 L HA 0.222 4.564 4.340 0.003 0.000 0.255 913 L C 0.519 177.371 176.870 -0.030 0.000 0.933 913 L CA -0.118 54.701 54.840 -0.034 0.000 0.920 913 L CB 1.819 43.854 42.059 -0.040 0.000 1.472 913 L HN -0.091 nan 8.230 nan 0.000 0.426 914 E N 0.437 120.618 120.200 -0.031 0.000 2.204 914 E HA -0.092 4.260 4.350 0.003 0.000 0.195 914 E C 1.034 177.619 176.600 -0.025 0.000 0.990 914 E CA 1.920 58.304 56.400 -0.026 0.000 0.821 914 E CB 0.381 30.064 29.700 -0.028 0.000 0.750 914 E HN 0.755 nan 8.360 nan 0.000 0.477 915 S N -1.030 114.653 115.700 -0.028 0.000 2.309 915 S HA 0.182 4.654 4.470 0.003 0.000 0.206 915 S C 1.643 176.228 174.600 -0.024 0.000 1.028 915 S CA 0.589 58.774 58.200 -0.026 0.000 0.972 915 S CB -0.924 62.258 63.200 -0.030 0.000 0.961 915 S HN 0.572 nan 8.310 nan 0.000 0.449 916 G N 1.702 110.486 108.800 -0.027 0.000 2.815 916 G HA2 -0.373 3.589 3.960 0.003 0.000 0.326 916 G HA3 -0.373 3.589 3.960 0.003 0.000 0.326 916 G C 0.650 175.537 174.900 -0.022 0.000 1.191 916 G CA 0.894 45.979 45.100 -0.025 0.000 0.965 916 G HN 1.142 nan 8.290 nan 0.000 0.564 917 S N 1.524 117.212 115.700 -0.020 0.000 2.625 917 S HA 0.414 4.885 4.470 0.003 0.000 0.258 917 S C 1.139 175.729 174.600 -0.017 0.000 1.256 917 S CA 1.475 59.664 58.200 -0.018 0.000 0.983 917 S CB 0.816 64.006 63.200 -0.016 0.000 1.032 917 S HN 2.548 nan 8.310 nan 0.000 0.572 918 E N -1.782 118.409 120.200 -0.015 0.000 2.885 918 E HA -0.239 4.113 4.350 0.003 0.000 0.267 918 E C 0.184 176.775 176.600 -0.016 0.000 1.100 918 E CA 1.693 58.085 56.400 -0.014 0.000 0.779 918 E CB -1.807 27.884 29.700 -0.014 0.000 1.383 918 E HN 0.511 nan 8.360 nan 0.000 0.443 919 I N -0.830 119.730 120.570 -0.017 0.000 4.530 919 I HA 0.280 4.451 4.170 0.003 0.000 0.318 919 I C 1.236 177.344 176.117 -0.017 0.000 1.257 919 I CA -0.411 60.879 61.300 -0.018 0.000 1.301 919 I CB -0.189 37.798 38.000 -0.021 0.000 1.297 919 I HN 0.296 nan 8.210 nan 0.000 0.451 920 L N 2.109 123.323 121.223 -0.016 0.000 2.615 920 L HA 0.197 4.538 4.340 0.003 0.000 0.284 920 L C 1.183 178.045 176.870 -0.013 0.000 1.237 920 L CA 1.415 56.246 54.840 -0.014 0.000 0.905 920 L CB -0.302 41.748 42.059 -0.014 0.000 1.149 920 L HN 0.576 nan 8.230 nan 0.000 0.499 921 G N 3.622 112.415 108.800 -0.012 0.000 2.542 921 G HA2 -0.240 3.721 3.960 0.003 0.000 0.235 921 G HA3 -0.240 3.721 3.960 0.003 0.000 0.235 921 G C -0.422 174.471 174.900 -0.012 0.000 1.286 921 G CA -0.106 44.987 45.100 -0.011 0.000 0.904 921 G HN 1.131 nan 8.290 nan 0.000 0.577 922 D N -1.633 118.761 120.400 -0.011 0.000 4.874 922 D HA -0.102 4.540 4.640 0.003 0.000 0.228 922 D C 0.944 177.237 176.300 -0.011 0.000 1.423 922 D CA 1.131 55.125 54.000 -0.011 0.000 1.130 922 D CB -1.119 39.674 40.800 -0.012 0.000 0.564 922 D HN 1.114 nan 8.370 nan 0.000 0.272 923 L N 3.397 124.615 121.223 -0.009 0.000 2.585 923 L HA 0.176 4.517 4.340 0.003 0.000 0.226 923 L C 2.445 179.311 176.870 -0.007 0.000 1.113 923 L CA -0.074 54.761 54.840 -0.008 0.000 0.876 923 L CB -0.031 42.023 42.059 -0.008 0.000 1.072 923 L HN 0.182 nan 8.230 nan 0.000 0.468 924 K N 0.378 120.774 120.400 -0.007 0.000 2.211 924 K HA 0.128 4.450 4.320 0.003 0.000 0.201 924 K C 1.955 178.551 176.600 -0.006 0.000 1.052 924 K CA 0.705 56.988 56.287 -0.006 0.000 0.973 924 K CB 0.235 32.731 32.500 -0.006 0.000 0.766 924 K HN 0.249 nan 8.250 nan 0.000 0.466 925 L N 0.635 121.853 121.223 -0.008 0.000 2.162 925 L HA -0.051 4.291 4.340 0.003 0.000 0.205 925 L C 2.075 178.942 176.870 -0.006 0.000 1.086 925 L CA 0.604 55.439 54.840 -0.008 0.000 0.778 925 L CB -0.155 41.897 42.059 -0.012 0.000 0.928 925 L HN 0.132 nan 8.230 nan 0.000 0.446 926 Q N -0.020 119.775 119.800 -0.008 0.000 2.541 926 Q HA -0.075 4.267 4.340 0.003 0.000 0.215 926 Q C 1.969 177.968 176.000 -0.003 0.000 0.977 926 Q CA 0.652 56.450 55.803 -0.009 0.000 0.934 926 Q CB 0.142 28.871 28.738 -0.015 0.000 0.988 926 Q HN 0.367 nan 8.270 nan 0.000 0.521 927 V N -0.300 119.615 119.914 0.000 0.000 2.500 927 V HA -0.157 3.965 4.120 0.003 0.000 0.243 927 V C 2.091 178.192 176.094 0.012 0.000 1.039 927 V CA 0.933 63.236 62.300 0.005 0.000 1.053 927 V CB -0.143 31.682 31.823 0.002 0.000 0.695 927 V HN 0.267 nan 8.190 nan 0.000 0.463 928 L N -0.859 120.369 121.223 0.009 0.000 2.095 928 L HA -0.053 4.289 4.340 0.003 0.000 0.204 928 L C 2.358 179.244 176.870 0.025 0.000 1.080 928 L CA 0.726 55.575 54.840 0.014 0.000 0.759 928 L CB -0.471 41.592 42.059 0.007 0.000 0.914 928 L HN 0.266 nan 8.230 nan 0.000 0.439 929 L N 0.065 121.301 121.223 0.021 0.000 2.131 929 L HA -0.214 4.128 4.340 0.003 0.000 0.210 929 L C 2.026 178.931 176.870 0.059 0.000 1.092 929 L CA 1.827 56.687 54.840 0.033 0.000 0.759 929 L CB -0.963 41.101 42.059 0.009 0.000 0.903 929 L HN 0.278 nan 8.230 nan 0.000 0.435 930 D N -0.364 120.063 120.400 0.044 0.000 2.084 930 D HA -0.206 4.435 4.640 0.003 0.000 0.196 930 D C 2.033 178.391 176.300 0.097 0.000 0.985 930 D CA 1.021 55.062 54.000 0.069 0.000 0.826 930 D CB 0.111 40.933 40.800 0.037 0.000 0.978 930 D HN 0.204 nan 8.370 nan 0.000 0.456 931 E N 1.035 121.270 120.200 0.059 0.000 2.171 931 E HA -0.215 4.137 4.350 0.003 0.000 0.197 931 E C 1.786 178.419 176.600 0.055 0.000 0.997 931 E CA 1.243 57.671 56.400 0.047 0.000 0.810 931 E CB -0.097 29.619 29.700 0.026 0.000 0.738 931 E HN 0.409 nan 8.360 nan 0.000 0.467 932 E N -1.432 118.813 120.200 0.075 0.000 2.051 932 E HA -0.185 4.167 4.350 0.003 0.000 0.189 932 E C 1.888 178.556 176.600 0.114 0.000 0.979 932 E CA 0.747 57.194 56.400 0.080 0.000 0.803 932 E CB -0.328 29.424 29.700 0.086 0.000 0.761 932 E HN 0.452 nan 8.360 nan 0.000 0.451 933 Y N 1.519 121.840 120.300 0.034 0.000 2.352 933 Y HA -0.105 4.446 4.550 0.003 0.000 0.292 933 Y C 2.257 178.191 175.900 0.058 0.000 1.136 933 Y CA 1.675 59.809 58.100 0.057 0.000 1.227 933 Y CB 0.118 38.613 38.460 0.059 0.000 0.991 933 Y HN -0.083 nan 8.280 nan 0.000 0.545 934 K N -0.282 120.193 120.400 0.126 0.000 2.097 934 K HA -0.239 4.082 4.320 0.003 0.000 0.205 934 K C 2.134 178.716 176.600 -0.030 0.000 1.050 934 K CA 1.520 57.836 56.287 0.048 0.000 0.938 934 K CB -0.049 32.488 32.500 0.061 0.000 0.718 934 K HN 0.266 nan 8.250 nan 0.000 0.442 935 Q N 0.887 120.671 119.800 -0.027 0.000 2.172 935 Q HA -0.028 4.313 4.340 0.003 0.000 0.200 935 Q C 1.811 177.760 176.000 -0.085 0.000 0.964 935 Q CA 1.247 57.017 55.803 -0.054 0.000 0.855 935 Q CB -0.022 28.691 28.738 -0.042 0.000 0.918 935 Q HN 0.344 nan 8.270 nan 0.000 0.444 936 L N -0.834 120.328 121.223 -0.102 0.000 2.072 936 L HA -0.097 4.244 4.340 0.003 0.000 0.205 936 L C 2.246 179.037 176.870 -0.133 0.000 1.079 936 L CA 0.919 55.685 54.840 -0.123 0.000 0.752 936 L CB -0.751 41.212 42.059 -0.161 0.000 0.906 936 L HN 0.085 nan 8.230 nan 0.000 0.436 937 V N 0.299 120.077 119.914 -0.226 0.000 2.343 937 V HA -0.290 3.832 4.120 0.003 0.000 0.247 937 V C 2.587 178.573 176.094 -0.180 0.000 1.051 937 V CA 1.730 63.862 62.300 -0.280 0.000 1.036 937 V CB -0.623 31.016 31.823 -0.306 0.000 0.654 937 V HN 0.442 nan 8.190 nan 0.000 0.451 938 K N -0.293 120.036 120.400 -0.118 0.000 2.281 938 K HA -0.242 4.080 4.320 0.003 0.000 0.203 938 K C 1.631 178.205 176.600 -0.044 0.000 1.046 938 K CA 1.710 57.955 56.287 -0.070 0.000 0.938 938 K CB -0.132 32.330 32.500 -0.062 0.000 0.737 938 K HN 0.479 nan 8.250 nan 0.000 0.458 939 D N -0.069 120.293 120.400 -0.064 0.000 2.137 939 D HA -0.091 4.551 4.640 0.003 0.000 0.202 939 D C 1.884 178.207 176.300 0.038 0.000 0.970 939 D CA 0.746 54.736 54.000 -0.016 0.000 0.837 939 D CB -0.047 40.723 40.800 -0.050 0.000 0.981 939 D HN 0.158 nan 8.370 nan 0.000 0.475 940 R N 0.874 121.333 120.500 -0.068 0.000 2.091 940 R HA -0.126 4.215 4.340 0.003 0.000 0.238 940 R C 2.029 178.299 176.300 -0.051 0.000 1.136 940 R CA 1.397 57.434 56.100 -0.105 0.000 0.959 940 R CB 0.058 30.151 30.300 -0.346 0.000 0.856 940 R HN 0.015 nan 8.270 nan 0.000 0.437 941 K N -0.658 119.712 120.400 -0.051 0.000 2.217 941 K HA -0.136 4.186 4.320 0.003 0.000 0.202 941 K C 1.795 178.406 176.600 0.019 0.000 1.051 941 K CA 0.996 57.265 56.287 -0.030 0.000 0.952 941 K CB -0.087 32.386 32.500 -0.045 0.000 0.736 941 K HN 0.182 nan 8.250 nan 0.000 0.453 942 F N 1.220 121.128 119.950 -0.070 0.000 2.206 942 F HA -0.085 4.444 4.527 0.003 0.000 0.298 942 F C 1.497 177.263 175.800 -0.057 0.000 1.090 942 F CA 1.003 58.963 58.000 -0.066 0.000 1.323 942 F CB 0.078 39.038 39.000 -0.067 0.000 1.028 942 F HN -0.083 nan 8.300 nan 0.000 0.492 943 L N 0.172 121.467 121.223 0.121 0.000 2.044 943 L HA -0.121 4.221 4.340 0.003 0.000 0.205 943 L C 2.483 179.345 176.870 -0.012 0.000 1.075 943 L CA 1.103 55.983 54.840 0.067 0.000 0.747 943 L CB -0.715 41.479 42.059 0.225 0.000 0.903 943 L HN -0.037 nan 8.230 nan 0.000 0.435 944 R N -0.107 120.407 120.500 0.023 0.000 2.355 944 R HA -0.200 4.141 4.340 0.003 0.000 0.219 944 R C 1.843 178.115 176.300 -0.046 0.000 1.107 944 R CA 1.016 57.147 56.100 0.051 0.000 1.021 944 R CB -0.111 30.231 30.300 0.070 0.000 0.852 944 R HN 0.490 nan 8.270 nan 0.000 0.475 945 E N -0.431 119.658 120.200 -0.185 0.000 2.244 945 E HA -0.024 4.328 4.350 0.003 0.000 0.196 945 E C 1.658 178.032 176.600 -0.378 0.000 0.939 945 E CA 0.085 56.326 56.400 -0.264 0.000 0.884 945 E CB 0.487 29.997 29.700 -0.317 0.000 0.850 945 E HN 0.002 nan 8.360 nan 0.000 0.481 946 V N 0.613 120.190 119.914 -0.563 0.000 2.232 946 V HA -0.119 4.003 4.120 0.003 0.000 0.239 946 V C 0.660 176.370 176.094 -0.640 0.000 1.040 946 V CA 1.274 63.139 62.300 -0.725 0.000 0.996 946 V CB -0.295 30.914 31.823 -1.022 0.000 0.638 946 V HN 0.171 nan 8.190 nan 0.000 0.453 947 F N 0.463 120.233 119.950 -0.301 0.000 2.566 947 F HA 0.238 4.767 4.527 0.003 0.000 0.349 947 F C 1.122 176.855 175.800 -0.113 0.000 1.245 947 F CA -0.230 57.638 58.000 -0.220 0.000 1.169 947 F CB 0.048 38.933 39.000 -0.192 0.000 1.470 947 F HN -0.139 nan 8.300 nan 0.000 0.634 948 V N 1.038 120.957 119.914 0.007 0.000 2.759 948 V HA -0.251 3.870 4.120 0.003 0.000 0.256 948 V C 1.452 177.572 176.094 0.043 0.000 1.080 948 V CA 1.482 63.795 62.300 0.022 0.000 1.101 948 V CB -0.590 31.218 31.823 -0.025 0.000 0.698 948 V HN 0.560 nan 8.190 nan 0.000 0.477 949 D N 1.301 121.731 120.400 0.050 0.000 2.149 949 D HA -0.094 4.548 4.640 0.003 0.000 0.194 949 D C 1.960 178.142 176.300 -0.196 0.000 1.001 949 D CA 1.995 55.996 54.000 0.001 0.000 0.849 949 D CB -0.433 40.438 40.800 0.118 0.000 0.939 949 D HN 0.546 nan 8.370 nan 0.000 0.449 950 G N -0.015 108.582 108.800 -0.338 0.000 2.175 950 G HA2 -0.292 3.670 3.960 0.003 0.000 0.244 950 G HA3 -0.292 3.670 3.960 0.003 0.000 0.244 950 G C 0.106 174.773 174.900 -0.389 0.000 0.982 950 G CA 0.278 44.855 45.100 -0.872 0.000 0.641 950 G HN 0.434 nan 8.290 nan 0.000 0.527 951 E N 0.559 120.688 120.200 -0.119 0.000 2.259 951 E HA 0.776 5.128 4.350 0.003 0.000 0.281 951 E C 1.140 177.735 176.600 -0.008 0.000 1.027 951 E CA 0.614 56.961 56.400 -0.088 0.000 0.838 951 E CB 1.025 30.662 29.700 -0.105 0.000 1.066 951 E HN 0.561 nan 8.360 nan 0.000 0.401 952 A N 4.351 127.087 122.820 -0.141 0.000 1.920 952 A HA 0.061 4.382 4.320 0.003 0.000 0.209 952 A C 0.256 177.751 177.584 -0.148 0.000 1.229 952 A CA 0.160 52.154 52.037 -0.072 0.000 0.671 952 A CB -0.362 18.609 19.000 -0.048 0.000 0.886 952 A HN 0.687 nan 8.150 nan 0.000 0.461 953 N N 0.317 118.792 118.700 -0.375 0.000 2.406 953 N HA 0.318 5.059 4.740 0.003 0.000 0.269 953 N C -1.419 173.717 175.510 -0.623 0.000 1.210 953 N CA 0.464 53.293 53.050 -0.369 0.000 0.966 953 N CB -0.147 38.149 38.487 -0.318 0.000 1.293 953 N HN 0.537 nan 8.380 nan 0.000 0.491 954 W N 2.115 123.319 121.300 -0.159 0.000 2.785 954 W HA 0.368 5.029 4.660 0.003 0.000 0.333 954 W C -2.247 174.268 176.519 -0.008 0.000 1.062 954 W CA -2.394 54.872 57.345 -0.132 0.000 1.233 954 W CB 1.459 30.753 29.460 -0.276 0.000 1.413 954 W HN 0.267 nan 8.180 nan 0.000 0.489 955 P HA 0.032 nan 4.420 nan 0.000 0.256 955 P C -0.740 176.702 177.300 0.236 0.000 1.189 955 P CA 0.864 64.108 63.100 0.240 0.000 0.808 955 P CB 0.145 32.014 31.700 0.282 0.000 0.793 956 L N 6.214 127.566 121.223 0.215 0.000 2.422 956 L HA 0.505 4.847 4.340 0.003 0.000 0.264 956 L C -2.386 174.594 176.870 0.183 0.000 0.984 956 L CA -2.797 52.178 54.840 0.226 0.000 0.819 956 L CB 2.850 45.094 42.059 0.309 0.000 1.330 956 L HN 0.079 nan 8.230 nan 0.000 0.410 957 P HA 0.121 nan 4.420 nan 0.000 0.271 957 P C -0.928 176.426 177.300 0.090 0.000 1.233 957 P CA -0.115 62.973 63.100 -0.020 0.000 0.789 957 P CB 0.444 31.971 31.700 -0.289 0.000 0.951 958 V N -0.931 119.029 119.914 0.077 0.000 3.927 958 V HA -0.231 3.891 4.120 0.003 0.000 0.495 958 V C 0.420 176.633 176.094 0.199 0.000 0.682 958 V CA 0.205 62.596 62.300 0.153 0.000 1.978 958 V CB -1.554 30.417 31.823 0.247 0.000 2.375 958 V HN 0.786 nan 8.190 nan 0.000 0.506 959 N N 4.199 122.975 118.700 0.127 0.000 2.442 959 N HA 0.354 5.096 4.740 0.003 0.000 0.265 959 N C 0.663 176.234 175.510 0.102 0.000 1.138 959 N CA -0.068 53.053 53.050 0.119 0.000 0.956 959 N CB 1.049 39.588 38.487 0.087 0.000 1.067 959 N HN 0.671 nan 8.380 nan 0.000 0.474 960 I N 2.838 123.472 120.570 0.106 0.000 3.265 960 I HA 0.028 4.199 4.170 0.003 0.000 0.282 960 I C 2.150 178.293 176.117 0.043 0.000 1.207 960 I CA -0.005 61.333 61.300 0.064 0.000 1.449 960 I CB 0.032 38.069 38.000 0.061 0.000 1.121 960 I HN 0.464 nan 8.210 nan 0.000 0.442 961 R N 1.270 121.815 120.500 0.074 0.000 2.103 961 R HA -0.155 4.186 4.340 0.003 0.000 0.242 961 R C 2.267 178.603 176.300 0.061 0.000 1.142 961 R CA 1.792 57.938 56.100 0.078 0.000 0.960 961 R CB -0.135 30.224 30.300 0.098 0.000 0.858 961 R HN 0.217 nan 8.270 nan 0.000 0.439 962 R N -0.729 119.814 120.500 0.071 0.000 2.127 962 R HA 0.114 4.455 4.340 0.003 0.000 0.217 962 R C 2.211 178.566 176.300 0.093 0.000 1.074 962 R CA 0.996 57.149 56.100 0.088 0.000 0.991 962 R CB -0.037 30.319 30.300 0.094 0.000 0.895 962 R HN 0.272 nan 8.270 nan 0.000 0.450 963 I N 0.722 121.329 120.570 0.062 0.000 2.394 963 I HA -0.242 3.930 4.170 0.003 0.000 0.251 963 I C 1.766 177.956 176.117 0.120 0.000 1.136 963 I CA 0.818 62.159 61.300 0.069 0.000 1.425 963 I CB -0.065 37.915 38.000 -0.032 0.000 1.079 963 I HN 0.106 nan 8.210 nan 0.000 0.425 964 I N 0.577 121.147 120.570 0.000 0.000 2.202 964 I HA -0.256 3.915 4.170 0.003 0.000 0.242 964 I C 2.517 178.626 176.117 -0.013 0.000 1.091 964 I CA 1.526 62.770 61.300 -0.092 0.000 1.368 964 I CB -1.264 36.509 38.000 -0.379 0.000 1.058 964 I HN 0.284 nan 8.210 nan 0.000 0.410 965 Q N 0.210 120.001 119.800 -0.014 0.000 2.124 965 Q HA -0.174 4.167 4.340 0.003 0.000 0.202 965 Q C 1.711 177.648 176.000 -0.104 0.000 0.977 965 Q CA 1.155 56.899 55.803 -0.098 0.000 0.850 965 Q CB -0.128 28.524 28.738 -0.144 0.000 0.901 965 Q HN 0.453 nan 8.270 nan 0.000 0.429 966 N N -0.573 118.179 118.700 0.087 0.000 2.571 966 N HA -0.026 4.716 4.740 0.003 0.000 0.189 966 N C 0.812 176.368 175.510 0.076 0.000 1.154 966 N CA 0.785 53.945 53.050 0.183 0.000 0.907 966 N CB 0.297 39.008 38.487 0.374 0.000 0.977 966 N HN 0.237 nan 8.380 nan 0.000 0.449 967 A N 1.035 123.925 122.820 0.117 0.000 1.909 967 A HA -0.055 4.266 4.320 0.003 0.000 0.210 967 A C 1.827 179.431 177.584 0.034 0.000 1.273 967 A CA 0.328 52.417 52.037 0.085 0.000 0.654 967 A CB -0.457 18.723 19.000 0.300 0.000 0.945 967 A HN 0.370 nan 8.150 nan 0.000 0.471 968 Q N 0.017 119.827 119.800 0.016 0.000 2.515 968 Q HA -0.124 4.218 4.340 0.003 0.000 0.212 968 Q C 1.396 177.335 176.000 -0.101 0.000 0.970 968 Q CA 1.426 57.221 55.803 -0.012 0.000 0.941 968 Q CB -0.208 28.543 28.738 0.023 0.000 0.998 968 Q HN 0.774 nan 8.270 nan 0.000 0.518 969 Q N -0.654 119.033 119.800 -0.187 0.000 2.353 969 Q HA 0.150 4.491 4.340 0.003 0.000 0.240 969 Q C 1.258 176.957 176.000 -0.502 0.000 0.868 969 Q CA 0.773 56.407 55.803 -0.281 0.000 0.944 969 Q CB 0.085 28.721 28.738 -0.169 0.000 1.104 969 Q HN 0.116 nan 8.270 nan 0.000 0.531 970 T N -0.095 114.152 114.554 -0.511 0.000 2.851 970 T HA 0.120 4.471 4.350 0.003 0.000 0.262 970 T C 0.276 174.471 174.700 -0.841 0.000 1.043 970 T CA 1.030 62.660 62.100 -0.783 0.000 1.140 970 T CB -0.126 68.019 68.868 -1.205 0.000 0.872 970 T HN 0.345 nan 8.240 nan 0.000 0.446 971 F N 0.282 120.013 119.950 -0.366 0.000 2.664 971 F HA 0.291 4.820 4.527 0.003 0.000 0.303 971 F C 0.392 176.140 175.800 -0.088 0.000 1.092 971 F CA -0.563 57.307 58.000 -0.216 0.000 1.305 971 F CB -0.283 38.597 39.000 -0.200 0.000 1.054 971 F HN 0.137 nan 8.300 nan 0.000 0.565 972 H N 1.122 120.207 119.070 0.026 0.000 2.400 972 H HA -0.198 4.360 4.556 0.003 0.000 0.310 972 H C -0.101 175.236 175.328 0.014 0.000 0.923 972 H CA 0.190 56.245 56.048 0.012 0.000 1.024 972 H CB -0.970 28.792 29.762 -0.000 0.000 1.611 972 H HN 0.250 nan 8.280 nan 0.000 0.332 973 I N 3.359 123.965 120.570 0.060 0.000 2.353 973 I HA 0.170 4.341 4.170 0.003 0.000 0.293 973 I C 0.001 176.072 176.117 -0.077 0.000 0.992 973 I CA -0.741 60.550 61.300 -0.016 0.000 1.268 973 I CB 1.045 39.006 38.000 -0.065 0.000 1.387 973 I HN 0.268 nan 8.210 nan 0.000 0.478 974 D N 5.650 126.019 120.400 -0.052 0.000 2.225 974 D HA 0.156 4.798 4.640 0.003 0.000 0.248 974 D C 0.066 176.325 176.300 -0.069 0.000 1.096 974 D CA -0.116 53.868 54.000 -0.026 0.000 0.863 974 D CB 0.476 41.291 40.800 0.025 0.000 1.156 974 D HN 0.519 nan 8.370 nan 0.000 0.450 975 H N 1.246 120.335 119.070 0.032 0.000 3.109 975 H HA 0.072 4.629 4.556 0.003 0.000 0.298 975 H C 0.674 176.009 175.328 0.012 0.000 1.248 975 H CA 0.622 56.684 56.048 0.023 0.000 1.204 975 H CB -0.303 29.473 29.762 0.023 0.000 1.367 975 H HN 0.671 nan 8.280 nan 0.000 0.592 976 T N -3.771 110.827 114.554 0.072 0.000 3.168 976 T HA 0.066 4.418 4.350 0.003 0.000 0.261 976 T C 0.766 175.478 174.700 0.020 0.000 0.931 976 T CA -0.381 61.746 62.100 0.046 0.000 0.949 976 T CB 0.870 69.762 68.868 0.041 0.000 1.229 976 T HN 0.011 nan 8.240 nan 0.000 0.504 977 K N 3.069 123.474 120.400 0.008 0.000 2.276 977 K HA 0.458 4.780 4.320 0.003 0.000 0.283 977 K C -2.603 173.992 176.600 -0.009 0.000 1.044 977 K CA -2.025 54.261 56.287 -0.002 0.000 0.944 977 K CB 0.718 33.215 32.500 -0.005 0.000 1.012 977 K HN 0.172 nan 8.250 nan 0.000 0.472 978 P HA -0.032 nan 4.420 nan 0.000 0.269 978 P C -0.309 176.977 177.300 -0.024 0.000 1.215 978 P CA -0.184 62.906 63.100 -0.017 0.000 0.780 978 P CB 0.961 32.650 31.700 -0.017 0.000 0.898 979 S N 1.024 116.707 115.700 -0.030 0.000 2.632 979 S HA 0.110 4.582 4.470 0.003 0.000 0.254 979 S C 0.166 174.741 174.600 -0.041 0.000 1.291 979 S CA 0.094 58.271 58.200 -0.039 0.000 0.974 979 S CB -0.107 63.064 63.200 -0.047 0.000 1.016 979 S HN 0.614 nan 8.310 nan 0.000 0.579 980 D N 0.687 121.057 120.400 -0.050 0.000 2.952 980 D HA 0.279 4.920 4.640 0.003 0.000 0.373 980 D C -0.569 175.695 176.300 -0.061 0.000 1.360 980 D CA -0.209 53.763 54.000 -0.047 0.000 0.788 980 D CB -0.909 39.868 40.800 -0.039 0.000 1.192 980 D HN 0.305 nan 8.370 nan 0.000 0.462 981 L N -0.091 121.085 121.223 -0.080 0.000 2.322 981 L HA 0.594 4.935 4.340 0.003 0.000 0.269 981 L C 0.298 177.114 176.870 -0.091 0.000 1.012 981 L CA -0.751 54.024 54.840 -0.109 0.000 0.815 981 L CB 2.079 44.031 42.059 -0.179 0.000 1.295 981 L HN -0.142 nan 8.230 nan 0.000 0.438 982 T N 0.667 115.167 114.554 -0.091 0.000 2.907 982 T HA 0.307 4.659 4.350 0.003 0.000 0.284 982 T C 1.452 176.102 174.700 -0.084 0.000 1.004 982 T CA -0.679 61.379 62.100 -0.070 0.000 1.063 982 T CB 1.698 70.537 68.868 -0.049 0.000 0.992 982 T HN 0.305 nan 8.240 nan 0.000 0.483 983 I N 1.145 121.677 120.570 -0.063 0.000 2.530 983 I HA -0.116 4.055 4.170 0.003 0.000 0.257 983 I C 2.128 178.215 176.117 -0.050 0.000 1.179 983 I CA 1.449 62.715 61.300 -0.058 0.000 1.440 983 I CB -0.877 37.099 38.000 -0.038 0.000 1.087 983 I HN 0.708 nan 8.210 nan 0.000 0.440 984 K N 0.537 120.912 120.400 -0.042 0.000 2.062 984 K HA -0.151 4.170 4.320 0.003 0.000 0.205 984 K C 1.697 178.276 176.600 -0.035 0.000 1.051 984 K CA 1.238 57.507 56.287 -0.029 0.000 0.941 984 K CB -0.070 32.419 32.500 -0.019 0.000 0.719 984 K HN 0.175 nan 8.250 nan 0.000 0.440 985 D N 0.996 121.360 120.400 -0.061 0.000 2.116 985 D HA -0.173 4.469 4.640 0.003 0.000 0.193 985 D C 1.807 178.035 176.300 -0.119 0.000 0.998 985 D CA 1.221 55.175 54.000 -0.076 0.000 0.836 985 D CB -0.146 40.578 40.800 -0.128 0.000 0.951 985 D HN 0.166 nan 8.370 nan 0.000 0.449 986 I N -0.158 120.285 120.570 -0.212 0.000 2.201 986 I HA -0.189 3.982 4.170 0.003 0.000 0.233 986 I C 2.474 178.575 176.117 -0.028 0.000 1.067 986 I CA 0.413 61.563 61.300 -0.250 0.000 1.354 986 I CB -0.484 37.351 38.000 -0.275 0.000 1.108 986 I HN -0.152 nan 8.210 nan 0.000 0.411 987 V N 0.948 120.847 119.914 -0.024 0.000 2.324 987 V HA -0.292 3.829 4.120 0.003 0.000 0.250 987 V C 2.316 178.426 176.094 0.027 0.000 1.060 987 V CA 2.009 64.317 62.300 0.014 0.000 1.042 987 V CB -0.487 31.340 31.823 0.007 0.000 0.650 987 V HN 0.386 nan 8.190 nan 0.000 0.450 988 L N -0.183 121.051 121.223 0.018 0.000 2.418 988 L HA 0.163 4.505 4.340 0.003 0.000 0.218 988 L C 2.236 179.133 176.870 0.044 0.000 1.125 988 L CA 1.169 56.023 54.840 0.023 0.000 0.835 988 L CB -0.428 41.639 42.059 0.012 0.000 0.953 988 L HN 0.330 nan 8.230 nan 0.000 0.454 989 G N -0.778 108.067 108.800 0.076 0.000 2.414 989 G HA2 -0.194 3.768 3.960 0.003 0.000 0.215 989 G HA3 -0.194 3.768 3.960 0.003 0.000 0.215 989 G C 1.446 176.416 174.900 0.117 0.000 1.188 989 G CA 0.947 46.127 45.100 0.134 0.000 0.783 989 G HN 0.211 nan 8.290 nan 0.000 0.537 990 V N 1.095 121.091 119.914 0.137 0.000 2.287 990 V HA -0.191 3.930 4.120 0.003 0.000 0.248 990 V C 2.708 178.814 176.094 0.021 0.000 1.053 990 V CA 2.306 64.654 62.300 0.080 0.000 1.027 990 V CB -0.495 31.385 31.823 0.095 0.000 0.646 990 V HN 0.297 nan 8.190 nan 0.000 0.447 991 K N 0.631 121.043 120.400 0.021 0.000 2.059 991 K HA -0.234 4.088 4.320 0.003 0.000 0.212 991 K C 1.731 178.327 176.600 -0.006 0.000 1.050 991 K CA 2.110 58.397 56.287 -0.000 0.000 0.927 991 K CB -0.653 31.849 32.500 0.003 0.000 0.714 991 K HN 0.466 nan 8.250 nan 0.000 0.447 992 D N -0.429 119.975 120.400 0.007 0.000 2.312 992 D HA -0.098 4.544 4.640 0.003 0.000 0.211 992 D C 1.661 177.953 176.300 -0.013 0.000 0.964 992 D CA 0.455 54.456 54.000 0.001 0.000 0.877 992 D CB -0.022 40.785 40.800 0.013 0.000 0.924 992 D HN 0.144 nan 8.370 nan 0.000 0.515 993 L N 1.003 122.214 121.223 -0.020 0.000 2.044 993 L HA -0.131 4.211 4.340 0.003 0.000 0.205 993 L C 1.902 178.731 176.870 -0.068 0.000 1.075 993 L CA 1.693 56.504 54.840 -0.048 0.000 0.747 993 L CB -0.612 41.409 42.059 -0.064 0.000 0.903 993 L HN -0.077 nan 8.230 nan 0.000 0.435 994 Q N -0.521 119.238 119.800 -0.069 0.000 2.368 994 Q HA -0.186 4.156 4.340 0.003 0.000 0.210 994 Q C 1.737 177.696 176.000 -0.069 0.000 0.982 994 Q CA 1.164 56.916 55.803 -0.084 0.000 0.884 994 Q CB -0.247 28.446 28.738 -0.076 0.000 0.933 994 Q HN 0.580 nan 8.270 nan 0.000 0.460 995 E N 1.217 121.388 120.200 -0.048 0.000 2.204 995 E HA -0.103 4.249 4.350 0.003 0.000 0.194 995 E C 0.974 177.554 176.600 -0.034 0.000 0.989 995 E CA 0.769 57.148 56.400 -0.034 0.000 0.824 995 E CB -0.014 29.673 29.700 -0.022 0.000 0.756 995 E HN 0.582 nan 8.360 nan 0.000 0.477 996 N N 0.109 118.782 118.700 -0.045 0.000 2.291 996 N HA 0.025 4.766 4.740 0.003 0.000 0.244 996 N C 0.219 175.700 175.510 -0.049 0.000 1.216 996 N CA -0.056 52.973 53.050 -0.035 0.000 0.879 996 N CB -0.005 38.469 38.487 -0.022 0.000 1.167 996 N HN 0.044 nan 8.380 nan 0.000 0.515 997 L N 1.447 122.601 121.223 -0.116 0.000 2.727 997 L HA 0.252 4.593 4.340 0.003 0.000 0.237 997 L C 0.078 176.948 176.870 0.001 0.000 1.370 997 L CA -0.364 54.340 54.840 -0.226 0.000 1.248 997 L CB -0.221 41.417 42.059 -0.701 0.000 1.556 997 L HN 0.000 nan 8.230 nan 0.000 0.420 998 L N 0.599 121.869 121.223 0.078 0.000 2.485 998 L HA 0.004 4.345 4.340 0.003 0.000 0.275 998 L C 1.040 178.020 176.870 0.183 0.000 1.207 998 L CA 0.644 55.544 54.840 0.101 0.000 0.855 998 L CB 1.426 43.520 42.059 0.057 0.000 1.114 998 L HN 0.178 nan 8.230 nan 0.000 0.485 999 V N 3.505 123.502 119.914 0.138 0.000 3.103 999 V HA 0.204 4.325 4.120 0.003 0.000 0.229 999 V C 0.434 176.564 176.094 0.059 0.000 1.304 999 V CA 0.038 62.398 62.300 0.101 0.000 1.298 999 V CB 0.904 32.801 31.823 0.124 0.000 1.093 999 V HN 0.465 nan 8.190 nan 0.000 0.489 1000 L N 0.655 121.916 121.223 0.063 0.000 2.295 1000 L HA 0.463 4.804 4.340 0.003 0.000 0.285 1000 L C 0.973 177.869 176.870 0.044 0.000 1.035 1000 L CA -0.111 54.760 54.840 0.052 0.000 0.806 1000 L CB 1.730 43.823 42.059 0.057 0.000 1.214 1000 L HN 0.073 nan 8.230 nan 0.000 0.426 1001 R N 1.812 122.335 120.500 0.038 0.000 2.290 1001 R HA 0.181 4.523 4.340 0.003 0.000 0.197 1001 R C 0.857 177.173 176.300 0.026 0.000 0.913 1001 R CA 0.153 56.271 56.100 0.029 0.000 1.040 1001 R CB 0.225 30.540 30.300 0.025 0.000 0.992 1001 R HN 0.775 nan 8.270 nan 0.000 0.500 1002 G N 0.369 109.188 108.800 0.030 0.000 2.720 1002 G HA2 -0.111 3.850 3.960 0.003 0.000 0.237 1002 G HA3 -0.111 3.850 3.960 0.003 0.000 0.237 1002 G C -0.216 174.696 174.900 0.020 0.000 1.239 1002 G CA -0.195 44.921 45.100 0.027 0.000 0.847 1002 G HN 0.273 nan 8.290 nan 0.000 0.593 1003 K N -0.104 120.306 120.400 0.017 0.000 2.676 1003 K HA 0.133 4.455 4.320 0.003 0.000 0.205 1003 K C 0.112 176.718 176.600 0.010 0.000 1.084 1003 K CA -0.382 55.912 56.287 0.012 0.000 1.057 1003 K CB -0.100 32.405 32.500 0.009 0.000 0.791 1003 K HN 0.689 nan 8.250 nan 0.000 0.484 1004 N N -1.610 117.097 118.700 0.012 0.000 2.545 1004 N HA 0.077 4.818 4.740 0.003 0.000 0.289 1004 N C 0.724 176.238 175.510 0.006 0.000 1.279 1004 N CA -0.667 52.389 53.050 0.009 0.000 0.824 1004 N CB 0.926 39.420 38.487 0.012 0.000 1.395 1004 N HN -0.172 nan 8.380 nan 0.000 0.526 1005 E N 0.018 120.219 120.200 0.003 0.000 2.045 1005 E HA -0.232 4.119 4.350 0.003 0.000 0.212 1005 E C 1.624 178.223 176.600 -0.003 0.000 1.039 1005 E CA 2.803 59.202 56.400 -0.001 0.000 0.860 1005 E CB -0.381 29.317 29.700 -0.004 0.000 0.776 1005 E HN 0.662 nan 8.360 nan 0.000 0.467 1006 I N -0.617 119.952 120.570 -0.002 0.000 2.315 1006 I HA -0.201 3.970 4.170 0.003 0.000 0.248 1006 I C 2.204 178.321 176.117 0.001 0.000 1.117 1006 I CA 1.215 62.511 61.300 -0.008 0.000 1.404 1006 I CB -1.168 36.826 38.000 -0.010 0.000 1.071 1006 I HN 0.118 nan 8.210 nan 0.000 0.419 1007 I N 1.479 122.057 120.570 0.013 0.000 2.099 1007 I HA -0.245 3.927 4.170 0.003 0.000 0.239 1007 I C 2.830 178.958 176.117 0.018 0.000 1.066 1007 I CA 1.605 62.919 61.300 0.023 0.000 1.324 1007 I CB -1.209 36.808 38.000 0.028 0.000 1.037 1007 I HN 0.373 nan 8.210 nan 0.000 0.401 1008 Q N 0.328 120.135 119.800 0.011 0.000 2.291 1008 Q HA -0.161 4.180 4.340 0.003 0.000 0.206 1008 Q C 1.890 177.890 176.000 -0.000 0.000 0.976 1008 Q CA 0.903 56.710 55.803 0.007 0.000 0.875 1008 Q CB -0.417 28.323 28.738 0.003 0.000 0.927 1008 Q HN 0.520 nan 8.270 nan 0.000 0.450 1009 N N 0.847 119.544 118.700 -0.005 0.000 2.080 1009 N HA -0.093 4.649 4.740 0.003 0.000 0.189 1009 N C 1.653 177.157 175.510 -0.011 0.000 1.036 1009 N CA 1.562 54.605 53.050 -0.013 0.000 0.846 1009 N CB -0.366 38.109 38.487 -0.021 0.000 1.015 1009 N HN 0.236 nan 8.380 nan 0.000 0.423 1010 A N 0.707 123.524 122.820 -0.005 0.000 1.933 1010 A HA -0.210 4.112 4.320 0.003 0.000 0.218 1010 A C 2.185 179.781 177.584 0.021 0.000 1.175 1010 A CA 1.864 53.903 52.037 0.004 0.000 0.628 1010 A CB -0.693 18.316 19.000 0.016 0.000 0.814 1010 A HN 0.380 nan 8.150 nan 0.000 0.444 1011 Q N 0.223 120.038 119.800 0.026 0.000 2.050 1011 Q HA -0.187 4.155 4.340 0.003 0.000 0.202 1011 Q C 2.145 178.162 176.000 0.027 0.000 0.980 1011 Q CA 2.323 58.148 55.803 0.036 0.000 0.840 1011 Q CB -0.403 28.355 28.738 0.033 0.000 0.898 1011 Q HN 0.632 nan 8.270 nan 0.000 0.424 1012 R N -0.438 120.066 120.500 0.007 0.000 2.081 1012 R HA -0.145 4.196 4.340 0.003 0.000 0.235 1012 R C 1.383 177.677 176.300 -0.010 0.000 1.131 1012 R CA 1.899 57.995 56.100 -0.008 0.000 0.960 1012 R CB -0.234 30.052 30.300 -0.023 0.000 0.856 1012 R HN 0.357 nan 8.270 nan 0.000 0.436 1013 D N -0.069 120.326 120.400 -0.008 0.000 2.117 1013 D HA -0.056 4.586 4.640 0.003 0.000 0.198 1013 D C 1.513 177.822 176.300 0.015 0.000 0.982 1013 D CA 1.464 55.457 54.000 -0.011 0.000 0.828 1013 D CB -0.116 40.676 40.800 -0.014 0.000 0.967 1013 D HN 0.362 nan 8.370 nan 0.000 0.464 1014 A N -0.102 122.739 122.820 0.034 0.000 2.216 1014 A HA -0.030 4.291 4.320 0.003 0.000 0.214 1014 A C 1.846 179.490 177.584 0.100 0.000 1.160 1014 A CA 0.774 52.847 52.037 0.060 0.000 0.725 1014 A CB -0.042 18.999 19.000 0.068 0.000 0.784 1014 A HN 0.177 nan 8.150 nan 0.000 0.472 1015 V N -1.947 118.023 119.914 0.094 0.000 3.635 1015 V HA -0.062 4.060 4.120 0.003 0.000 0.266 1015 V C 2.226 178.387 176.094 0.113 0.000 1.316 1015 V CA 1.220 63.606 62.300 0.144 0.000 1.060 1015 V CB -0.394 31.492 31.823 0.105 0.000 0.820 1015 V HN 0.503 nan 8.190 nan 0.000 0.447 1016 T N 1.397 115.970 114.554 0.032 0.000 2.564 1016 T HA -0.367 3.984 4.350 0.003 0.000 0.264 1016 T C 1.844 176.549 174.700 0.007 0.000 1.100 1016 T CA 2.594 64.668 62.100 -0.044 0.000 1.171 1016 T CB -0.400 68.405 68.868 -0.104 0.000 0.863 1016 T HN 0.305 nan 8.240 nan 0.000 0.430 1017 L N -0.405 120.875 121.223 0.095 0.000 1.956 1017 L HA -0.116 4.226 4.340 0.003 0.000 0.216 1017 L C 2.290 179.275 176.870 0.193 0.000 1.073 1017 L CA 1.786 56.722 54.840 0.161 0.000 0.762 1017 L CB -0.479 41.688 42.059 0.181 0.000 0.889 1017 L HN 0.213 nan 8.230 nan 0.000 0.433 1018 F N 0.110 120.110 119.950 0.083 0.000 2.141 1018 F HA -0.364 4.165 4.527 0.003 0.000 0.300 1018 F C 2.425 178.246 175.800 0.036 0.000 1.079 1018 F CA 1.750 59.803 58.000 0.089 0.000 1.264 1018 F CB -0.775 38.308 39.000 0.139 0.000 1.011 1018 F HN 0.222 nan 8.300 nan 0.000 0.487 1019 C N -0.693 118.543 119.300 -0.108 0.000 2.446 1019 C HA -0.173 4.289 4.460 0.003 0.000 0.277 1019 C C 2.978 177.861 174.990 -0.178 0.000 1.275 1019 C CA 0.981 59.862 59.018 -0.227 0.000 1.727 1019 C CB -1.792 25.872 27.740 -0.127 0.000 2.010 1019 C HN 0.682 nan 8.230 nan 0.000 0.486 1020 C N 0.557 119.802 119.300 -0.092 0.000 2.409 1020 C HA -0.103 4.358 4.460 0.003 0.000 0.284 1020 C C 2.470 177.437 174.990 -0.038 0.000 1.354 1020 C CA 0.697 59.685 59.018 -0.051 0.000 1.787 1020 C CB -1.769 25.981 27.740 0.015 0.000 1.900 1020 C HN 0.661 nan 8.230 nan 0.000 0.520 1021 L N 0.421 121.605 121.223 -0.065 0.000 2.049 1021 L HA 0.023 4.365 4.340 0.003 0.000 0.203 1021 L C 2.351 179.143 176.870 -0.130 0.000 1.074 1021 L CA 1.452 56.256 54.840 -0.060 0.000 0.749 1021 L CB -0.778 41.260 42.059 -0.034 0.000 0.907 1021 L HN 0.199 nan 8.230 nan 0.000 0.439 1022 L N 0.206 121.241 121.223 -0.313 0.000 1.971 1022 L HA -0.234 4.107 4.340 0.003 0.000 0.215 1022 L C 2.695 179.497 176.870 -0.114 0.000 1.072 1022 L CA 1.958 56.620 54.840 -0.297 0.000 0.758 1022 L CB -0.881 40.889 42.059 -0.482 0.000 0.889 1022 L HN 0.269 nan 8.230 nan 0.000 0.433 1023 R N -0.471 119.970 120.500 -0.099 0.000 2.105 1023 R HA -0.143 4.198 4.340 0.003 0.000 0.239 1023 R C 2.392 178.711 176.300 0.031 0.000 1.135 1023 R CA 1.603 57.684 56.100 -0.032 0.000 0.967 1023 R CB -0.636 29.632 30.300 -0.054 0.000 0.861 1023 R HN 0.705 nan 8.270 nan 0.000 0.442 1024 S N 0.056 115.772 115.700 0.028 0.000 2.428 1024 S HA -0.049 4.422 4.470 0.003 0.000 0.230 1024 S C 1.917 176.677 174.600 0.266 0.000 1.014 1024 S CA 0.718 58.986 58.200 0.113 0.000 0.957 1024 S CB 0.077 63.315 63.200 0.063 0.000 0.784 1024 S HN 0.123 nan 8.310 nan 0.000 0.499 1025 R N 0.237 120.840 120.500 0.173 0.000 2.265 1025 R HA 0.456 4.797 4.340 0.003 0.000 0.194 1025 R C 0.478 176.929 176.300 0.252 0.000 0.931 1025 R CA 0.350 56.582 56.100 0.219 0.000 1.032 1025 R CB 0.065 30.465 30.300 0.165 0.000 0.980 1025 R HN 0.392 nan 8.270 nan 0.000 0.497 1026 L N 0.738 122.071 121.223 0.183 0.000 3.047 1026 L HA 0.505 4.846 4.340 0.003 0.000 0.242 1026 L C -0.391 176.588 176.870 0.182 0.000 1.315 1026 L CA -0.703 54.264 54.840 0.212 0.000 1.042 1026 L CB 0.785 42.949 42.059 0.176 0.000 1.420 1026 L HN -0.002 nan 8.230 nan 0.000 0.517 1027 A N -0.423 122.506 122.820 0.182 0.000 2.309 1027 A HA 0.457 4.778 4.320 0.003 0.000 0.298 1027 A C 1.310 178.941 177.584 0.079 0.000 1.165 1027 A CA -0.271 51.863 52.037 0.162 0.000 0.821 1027 A CB 0.762 19.938 19.000 0.293 0.000 1.102 1027 A HN 0.401 nan 8.150 nan 0.000 0.500 1028 T N 1.676 116.265 114.554 0.058 0.000 2.653 1028 T HA -0.173 4.179 4.350 0.003 0.000 0.268 1028 T C 1.895 176.577 174.700 -0.031 0.000 1.035 1028 T CA 1.600 63.703 62.100 0.006 0.000 1.154 1028 T CB -0.176 68.694 68.868 0.003 0.000 0.862 1028 T HN 0.598 nan 8.240 nan 0.000 0.441 1029 R N 0.695 121.166 120.500 -0.048 0.000 2.341 1029 R HA 0.083 4.425 4.340 0.003 0.000 0.213 1029 R C 2.264 178.462 176.300 -0.170 0.000 1.082 1029 R CA 0.771 56.805 56.100 -0.109 0.000 1.017 1029 R CB -0.156 30.061 30.300 -0.138 0.000 0.860 1029 R HN 0.437 nan 8.270 nan 0.000 0.473 1030 R N -1.059 119.345 120.500 -0.160 0.000 2.102 1030 R HA 0.096 4.437 4.340 0.003 0.000 0.208 1030 R C 1.622 177.820 176.300 -0.170 0.000 1.131 1030 R CA 0.440 56.392 56.100 -0.247 0.000 1.054 1030 R CB 0.204 30.358 30.300 -0.242 0.000 0.954 1030 R HN -0.064 nan 8.270 nan 0.000 0.465 1031 V N 2.022 121.963 119.914 0.045 0.000 3.559 1031 V HA -0.026 4.095 4.120 0.003 0.000 0.272 1031 V C 1.304 177.441 176.094 0.071 0.000 1.235 1031 V CA 1.190 63.607 62.300 0.195 0.000 1.192 1031 V CB -0.579 31.363 31.823 0.199 0.000 0.930 1031 V HN 0.296 nan 8.190 nan 0.000 0.492 1032 L N -1.180 120.038 121.223 -0.009 0.000 3.664 1032 L HA 0.273 4.614 4.340 0.003 0.000 0.341 1032 L C 1.370 178.217 176.870 -0.037 0.000 1.247 1032 L CA 0.242 55.067 54.840 -0.025 0.000 1.133 1032 L CB 0.807 42.837 42.059 -0.049 0.000 1.498 1032 L HN 0.223 nan 8.230 nan 0.000 0.628 1033 Q N -0.348 119.412 119.800 -0.066 0.000 2.170 1033 Q HA 0.080 4.422 4.340 0.003 0.000 0.165 1033 Q C 1.148 177.099 176.000 -0.081 0.000 0.599 1033 Q CA 0.320 56.079 55.803 -0.073 0.000 0.844 1033 Q CB 0.863 29.534 28.738 -0.111 0.000 1.139 1033 Q HN 0.300 nan 8.270 nan 0.000 0.388 1034 E N 0.412 120.482 120.200 -0.217 0.000 2.031 1034 E HA -0.142 4.210 4.350 0.003 0.000 0.193 1034 E C -0.217 176.315 176.600 -0.113 0.000 0.994 1034 E CA 1.503 57.737 56.400 -0.276 0.000 0.800 1034 E CB 0.044 29.415 29.700 -0.549 0.000 0.752 1034 E HN 0.237 nan 8.360 nan 0.000 0.447 1035 Y N -0.771 119.577 120.300 0.080 0.000 2.646 1035 Y HA 0.471 5.023 4.550 0.003 0.000 0.334 1035 Y C -0.814 175.122 175.900 0.061 0.000 1.004 1035 Y CA -1.169 56.995 58.100 0.106 0.000 1.301 1035 Y CB 0.014 38.535 38.460 0.103 0.000 1.093 1035 Y HN -0.303 nan 8.280 nan 0.000 0.530 1036 R N 3.802 124.399 120.500 0.163 0.000 2.435 1036 R HA 0.239 4.581 4.340 0.003 0.000 0.325 1036 R C -0.476 175.854 176.300 0.050 0.000 1.149 1036 R CA 0.048 56.188 56.100 0.066 0.000 0.995 1036 R CB 0.152 30.452 30.300 0.001 0.000 1.008 1036 R HN 0.672 nan 8.270 nan 0.000 0.470 1037 L N 2.171 123.452 121.223 0.096 0.000 2.357 1037 L HA 0.239 4.580 4.340 0.003 0.000 0.273 1037 L C 1.429 178.305 176.870 0.011 0.000 1.080 1037 L CA -0.287 54.602 54.840 0.083 0.000 0.803 1037 L CB 1.514 43.698 42.059 0.207 0.000 1.174 1037 L HN 0.636 nan 8.230 nan 0.000 0.443 1038 T N -1.213 113.320 114.554 -0.034 0.000 2.833 1038 T HA 0.138 4.489 4.350 0.003 0.000 0.312 1038 T C 1.036 175.711 174.700 -0.043 0.000 1.085 1038 T CA -0.392 61.669 62.100 -0.066 0.000 0.955 1038 T CB 1.236 70.032 68.868 -0.119 0.000 1.353 1038 T HN 0.458 nan 8.240 nan 0.000 0.544 1039 K N -0.173 120.195 120.400 -0.053 0.000 1.980 1039 K HA -0.067 4.254 4.320 0.003 0.000 0.208 1039 K C 2.392 178.995 176.600 0.005 0.000 1.043 1039 K CA 1.569 57.846 56.287 -0.016 0.000 0.938 1039 K CB -0.848 31.638 32.500 -0.024 0.000 0.724 1039 K HN 0.810 nan 8.250 nan 0.000 0.438 1040 Q N -0.025 119.728 119.800 -0.079 0.000 2.096 1040 Q HA -0.115 4.226 4.340 0.003 0.000 0.204 1040 Q C 1.652 177.497 176.000 -0.259 0.000 0.982 1040 Q CA 1.749 57.478 55.803 -0.124 0.000 0.850 1040 Q CB -0.101 28.545 28.738 -0.153 0.000 0.901 1040 Q HN 0.349 nan 8.270 nan 0.000 0.422 1041 A N -0.433 122.096 122.820 -0.485 0.000 2.168 1041 A HA -0.099 4.223 4.320 0.003 0.000 0.215 1041 A C 1.549 179.114 177.584 -0.031 0.000 1.152 1041 A CA 0.576 52.192 52.037 -0.703 0.000 0.716 1041 A CB -0.476 18.067 19.000 -0.761 0.000 0.794 1041 A HN 0.566 nan 8.150 nan 0.000 0.465 1042 F N 0.551 120.455 119.950 -0.077 0.000 2.164 1042 F HA 0.025 4.554 4.527 0.003 0.000 0.287 1042 F C 1.624 177.459 175.800 0.059 0.000 1.086 1042 F CA 1.317 59.327 58.000 0.017 0.000 1.249 1042 F CB -0.069 38.928 39.000 -0.005 0.000 1.059 1042 F HN 0.168 nan 8.300 nan 0.000 0.490 1043 D N -0.140 120.355 120.400 0.158 0.000 2.254 1043 D HA -0.274 4.368 4.640 0.003 0.000 0.201 1043 D C 1.658 177.983 176.300 0.042 0.000 0.998 1043 D CA 1.376 55.417 54.000 0.067 0.000 0.885 1043 D CB -0.624 40.242 40.800 0.110 0.000 0.915 1043 D HN 0.515 nan 8.370 nan 0.000 0.460 1044 W N 1.183 122.436 121.300 -0.078 0.000 2.381 1044 W HA -0.199 4.462 4.660 0.003 0.000 0.323 1044 W C 2.326 178.799 176.519 -0.077 0.000 1.194 1044 W CA 1.190 58.528 57.345 -0.013 0.000 1.296 1044 W CB -0.739 28.795 29.460 0.123 0.000 1.175 1044 W HN -0.245 nan 8.180 nan 0.000 0.465 1045 V N 1.377 121.314 119.914 0.038 0.000 2.277 1045 V HA -0.375 3.747 4.120 0.003 0.000 0.253 1045 V C 2.297 178.159 176.094 -0.386 0.000 1.067 1045 V CA 2.158 64.316 62.300 -0.238 0.000 1.047 1045 V CB -1.407 30.339 31.823 -0.127 0.000 0.649 1045 V HN 0.341 nan 8.190 nan 0.000 0.447 1046 L N -0.155 120.798 121.223 -0.449 0.000 1.943 1046 L HA -0.202 4.139 4.340 0.003 0.000 0.215 1046 L C 2.736 179.453 176.870 -0.255 0.000 1.074 1046 L CA 2.473 57.086 54.840 -0.378 0.000 0.759 1046 L CB -0.724 41.096 42.059 -0.399 0.000 0.888 1046 L HN 0.341 nan 8.230 nan 0.000 0.433 1047 S N -0.791 114.782 115.700 -0.212 0.000 2.420 1047 S HA -0.242 4.229 4.470 0.003 0.000 0.237 1047 S C 1.967 176.438 174.600 -0.216 0.000 1.023 1047 S CA 1.657 59.761 58.200 -0.160 0.000 0.991 1047 S CB -0.535 62.605 63.200 -0.100 0.000 0.792 1047 S HN 0.522 nan 8.310 nan 0.000 0.488 1048 N N 0.724 119.204 118.700 -0.367 0.000 2.135 1048 N HA 0.038 4.780 4.740 0.003 0.000 0.186 1048 N C 1.805 177.161 175.510 -0.256 0.000 1.027 1048 N CA 1.213 53.996 53.050 -0.444 0.000 0.849 1048 N CB -0.277 37.670 38.487 -0.901 0.000 1.002 1048 N HN 0.452 nan 8.380 nan 0.000 0.425 1049 I N 1.460 121.906 120.570 -0.207 0.000 2.226 1049 I HA -0.231 3.940 4.170 0.003 0.000 0.245 1049 I C 2.504 178.626 176.117 0.008 0.000 1.100 1049 I CA 0.964 62.226 61.300 -0.063 0.000 1.374 1049 I CB -0.209 37.768 38.000 -0.038 0.000 1.057 1049 I HN 0.296 nan 8.210 nan 0.000 0.413 1050 E N 1.080 121.256 120.200 -0.040 0.000 2.033 1050 E HA -0.322 4.029 4.350 0.003 0.000 0.199 1050 E C 2.211 178.837 176.600 0.043 0.000 1.011 1050 E CA 1.851 58.250 56.400 -0.002 0.000 0.815 1050 E CB -0.086 29.590 29.700 -0.040 0.000 0.755 1050 E HN 0.519 nan 8.360 nan 0.000 0.451 1051 A N 0.844 123.654 122.820 -0.016 0.000 1.898 1051 A HA -0.200 4.121 4.320 0.003 0.000 0.216 1051 A C 2.138 179.713 177.584 -0.015 0.000 1.181 1051 A CA 1.356 53.381 52.037 -0.019 0.000 0.620 1051 A CB -0.495 18.476 19.000 -0.049 0.000 0.819 1051 A HN 0.321 nan 8.150 nan 0.000 0.442 1052 Q N -1.591 118.199 119.800 -0.017 0.000 2.112 1052 Q HA -0.220 4.122 4.340 0.003 0.000 0.206 1052 Q C 1.950 177.946 176.000 -0.006 0.000 0.987 1052 Q CA 1.856 57.651 55.803 -0.013 0.000 0.858 1052 Q CB -0.368 28.367 28.738 -0.005 0.000 0.905 1052 Q HN 0.758 nan 8.270 nan 0.000 0.420 1053 F N 1.279 121.165 119.950 -0.108 0.000 2.051 1053 F HA -0.202 4.327 4.527 0.003 0.000 0.296 1053 F C 2.102 177.801 175.800 -0.168 0.000 1.122 1053 F CA 1.224 59.125 58.000 -0.165 0.000 1.201 1053 F CB -0.341 38.574 39.000 -0.142 0.000 0.978 1053 F HN -0.033 nan 8.300 nan 0.000 0.472 1054 L N 0.083 121.335 121.223 0.049 0.000 2.189 1054 L HA -0.253 4.088 4.340 0.003 0.000 0.214 1054 L C 2.495 179.232 176.870 -0.223 0.000 1.097 1054 L CA 1.336 56.127 54.840 -0.082 0.000 0.764 1054 L CB -0.748 41.312 42.059 0.002 0.000 0.900 1054 L HN 0.198 nan 8.230 nan 0.000 0.436 1055 R N -0.642 119.727 120.500 -0.219 0.000 2.148 1055 R HA -0.062 4.279 4.340 0.003 0.000 0.227 1055 R C 2.074 178.058 176.300 -0.527 0.000 1.103 1055 R CA 1.224 57.152 56.100 -0.287 0.000 0.983 1055 R CB -0.081 30.104 30.300 -0.192 0.000 0.874 1055 R HN 0.236 nan 8.270 nan 0.000 0.451 1056 S N 0.141 115.533 115.700 -0.514 0.000 2.575 1056 S HA 0.092 4.563 4.470 0.003 0.000 0.215 1056 S C 0.518 174.843 174.600 -0.459 0.000 0.966 1056 S CA -0.231 57.653 58.200 -0.526 0.000 0.911 1056 S CB 0.412 63.376 63.200 -0.394 0.000 0.780 1056 S HN -0.051 nan 8.310 nan 0.000 0.514 1057 V N 2.256 121.884 119.914 -0.476 0.000 2.872 1057 V HA 0.058 4.180 4.120 0.003 0.000 0.307 1057 V C 0.753 176.685 176.094 -0.271 0.000 1.072 1057 V CA -0.177 61.908 62.300 -0.358 0.000 1.148 1057 V CB 0.883 32.507 31.823 -0.332 0.000 0.954 1057 V HN 0.120 nan 8.190 nan 0.000 0.490 1058 V N 4.609 124.427 119.914 -0.160 0.000 2.637 1058 V HA 0.104 4.226 4.120 0.003 0.000 0.296 1058 V C 0.419 176.415 176.094 -0.164 0.000 1.046 1058 V CA -0.283 61.953 62.300 -0.107 0.000 1.066 1058 V CB 0.514 32.266 31.823 -0.118 0.000 0.968 1058 V HN 0.776 nan 8.190 nan 0.000 0.483 1059 H N 5.646 124.633 119.070 -0.138 0.000 2.723 1059 H HA 0.225 4.782 4.556 0.003 0.000 0.294 1059 H C -2.227 172.984 175.328 -0.196 0.000 1.079 1059 H CA -1.882 54.085 56.048 -0.135 0.000 1.411 1059 H CB 1.106 30.810 29.762 -0.097 0.000 1.439 1059 H HN 0.467 nan 8.280 nan 0.000 0.474 1060 P HA -0.056 nan 4.420 nan 0.000 0.260 1060 P C 0.998 178.068 177.300 -0.383 0.000 1.185 1060 P CA 1.030 63.872 63.100 -0.431 0.000 0.763 1060 P CB 0.594 31.748 31.700 -0.911 0.000 0.776 1061 G N 2.566 111.193 108.800 -0.288 0.000 3.435 1061 G HA2 -0.157 3.804 3.960 0.003 0.000 0.197 1061 G HA3 -0.157 3.804 3.960 0.003 0.000 0.197 1061 G C -0.135 174.690 174.900 -0.125 0.000 1.497 1061 G CA -0.572 44.437 45.100 -0.152 0.000 1.043 1061 G HN 0.479 nan 8.290 nan 0.000 0.466 1062 E N 2.342 122.473 120.200 -0.115 0.000 3.131 1062 E HA -0.023 4.328 4.350 0.003 0.000 0.258 1062 E C 0.399 176.922 176.600 -0.129 0.000 0.901 1062 E CA 0.751 57.079 56.400 -0.121 0.000 0.964 1062 E CB 0.056 29.663 29.700 -0.155 0.000 0.903 1062 E HN 0.351 nan 8.360 nan 0.000 0.537 1063 M N 4.376 123.920 119.600 -0.093 0.000 2.664 1063 M HA 0.055 4.536 4.480 0.003 0.000 0.332 1063 M C 0.926 177.193 176.300 -0.055 0.000 1.354 1063 M CA -0.185 55.072 55.300 -0.073 0.000 1.399 1063 M CB 0.227 32.793 32.600 -0.057 0.000 1.224 1063 M HN 0.147 nan 8.290 nan 0.000 0.479 1064 V N 1.712 121.594 119.914 -0.054 0.000 3.217 1064 V HA -0.051 4.071 4.120 0.003 0.000 0.264 1064 V C 2.233 178.362 176.094 0.058 0.000 1.135 1064 V CA 1.572 63.884 62.300 0.019 0.000 1.142 1064 V CB -1.142 30.715 31.823 0.057 0.000 0.754 1064 V HN 0.928 nan 8.190 nan 0.000 0.484 1065 G N 1.028 109.836 108.800 0.013 0.000 2.587 1065 G HA2 -0.228 3.733 3.960 0.003 0.000 0.217 1065 G HA3 -0.228 3.733 3.960 0.003 0.000 0.217 1065 G C 1.612 176.490 174.900 -0.036 0.000 1.240 1065 G CA 1.459 46.551 45.100 -0.013 0.000 0.794 1065 G HN 0.336 nan 8.290 nan 0.000 0.580 1066 V N 0.898 120.786 119.914 -0.044 0.000 2.252 1066 V HA -0.166 3.955 4.120 0.003 0.000 0.249 1066 V C 2.790 178.844 176.094 -0.068 0.000 1.056 1066 V CA 1.579 63.844 62.300 -0.058 0.000 1.022 1066 V CB -0.656 31.137 31.823 -0.049 0.000 0.641 1066 V HN 0.275 nan 8.190 nan 0.000 0.445 1067 L N 0.456 121.650 121.223 -0.049 0.000 2.034 1067 L HA -0.262 4.079 4.340 0.003 0.000 0.217 1067 L C 2.534 179.293 176.870 -0.185 0.000 1.077 1067 L CA 2.855 57.652 54.840 -0.072 0.000 0.769 1067 L CB -1.578 40.490 42.059 0.015 0.000 0.890 1067 L HN 0.368 nan 8.230 nan 0.000 0.435 1068 A N -1.142 121.616 122.820 -0.102 0.000 1.873 1068 A HA -0.067 4.254 4.320 0.003 0.000 0.215 1068 A C 2.465 179.944 177.584 -0.175 0.000 1.186 1068 A CA 1.909 53.855 52.037 -0.153 0.000 0.616 1068 A CB -0.901 18.146 19.000 0.078 0.000 0.823 1068 A HN 0.515 nan 8.150 nan 0.000 0.442 1069 A N -0.490 122.254 122.820 -0.127 0.000 1.873 1069 A HA -0.282 4.040 4.320 0.003 0.000 0.218 1069 A C 2.153 179.653 177.584 -0.140 0.000 1.193 1069 A CA 1.873 53.832 52.037 -0.130 0.000 0.629 1069 A CB -0.750 18.174 19.000 -0.126 0.000 0.826 1069 A HN 0.655 nan 8.150 nan 0.000 0.447 1070 Q N -0.385 119.330 119.800 -0.142 0.000 2.061 1070 Q HA -0.134 4.207 4.340 0.003 0.000 0.204 1070 Q C 2.348 178.254 176.000 -0.156 0.000 0.984 1070 Q CA 1.786 57.507 55.803 -0.138 0.000 0.846 1070 Q CB -0.285 28.390 28.738 -0.104 0.000 0.902 1070 Q HN 0.656 nan 8.270 nan 0.000 0.421 1071 S N 0.422 115.988 115.700 -0.223 0.000 2.500 1071 S HA -0.044 4.427 4.470 0.003 0.000 0.239 1071 S C 1.769 176.263 174.600 -0.178 0.000 0.989 1071 S CA 0.754 58.800 58.200 -0.256 0.000 0.951 1071 S CB -0.029 62.802 63.200 -0.616 0.000 0.759 1071 S HN 0.298 nan 8.310 nan 0.000 0.523 1072 I N 0.387 120.865 120.570 -0.154 0.000 2.927 1072 I HA 0.104 4.276 4.170 0.003 0.000 0.268 1072 I C 2.584 178.640 176.117 -0.102 0.000 1.153 1072 I CA 0.580 61.815 61.300 -0.109 0.000 1.459 1072 I CB -0.602 37.341 38.000 -0.095 0.000 1.149 1072 I HN 0.320 nan 8.210 nan 0.000 0.443 1073 G N 0.612 109.343 108.800 -0.114 0.000 2.422 1073 G HA2 -0.223 3.739 3.960 0.003 0.000 0.218 1073 G HA3 -0.223 3.739 3.960 0.003 0.000 0.218 1073 G C 1.538 176.368 174.900 -0.116 0.000 1.140 1073 G CA 0.406 45.441 45.100 -0.108 0.000 0.775 1073 G HN 0.268 nan 8.290 nan 0.000 0.545 1074 E N 1.240 121.352 120.200 -0.146 0.000 2.015 1074 E HA -0.081 4.271 4.350 0.003 0.000 0.191 1074 E C -0.121 176.421 176.600 -0.096 0.000 0.991 1074 E CA 1.233 57.532 56.400 -0.168 0.000 0.802 1074 E CB -0.681 28.873 29.700 -0.244 0.000 0.759 1074 E HN 0.303 nan 8.360 nan 0.000 0.447 1075 P HA 0.006 nan 4.420 nan 0.000 0.226 1075 P C 0.854 178.124 177.300 -0.049 0.000 1.153 1075 P CA 1.488 64.559 63.100 -0.049 0.000 0.777 1075 P CB -0.100 31.570 31.700 -0.048 0.000 0.794 1076 A N -0.473 122.311 122.820 -0.059 0.000 1.873 1076 A HA -0.147 4.175 4.320 0.003 0.000 0.215 1076 A C 2.202 179.760 177.584 -0.043 0.000 1.186 1076 A CA 2.106 54.114 52.037 -0.048 0.000 0.616 1076 A CB -1.949 17.020 19.000 -0.052 0.000 0.823 1076 A HN 0.120 nan 8.150 nan 0.000 0.442 1077 T N -0.569 113.952 114.554 -0.056 0.000 2.918 1077 T HA -0.134 4.218 4.350 0.003 0.000 0.271 1077 T C 1.692 176.368 174.700 -0.040 0.000 1.104 1077 T CA 1.878 63.947 62.100 -0.052 0.000 1.114 1077 T CB -0.153 68.670 68.868 -0.075 0.000 0.855 1077 T HN 0.480 nan 8.240 nan 0.000 0.518 1078 Q N -0.874 118.905 119.800 -0.036 0.000 2.247 1078 Q HA 0.374 4.715 4.340 0.003 0.000 0.211 1078 Q C 1.535 177.524 176.000 -0.018 0.000 0.861 1078 Q CA 0.014 55.802 55.803 -0.024 0.000 0.949 1078 Q CB 0.105 28.832 28.738 -0.019 0.000 1.115 1078 Q HN 0.217 nan 8.270 nan 0.000 0.507 1079 M N -0.702 118.886 119.600 -0.021 0.000 2.419 1079 M HA 0.073 4.555 4.480 0.003 0.000 0.264 1079 M C 0.265 176.557 176.300 -0.012 0.000 1.082 1079 M CA 0.761 56.053 55.300 -0.014 0.000 1.119 1079 M CB 0.037 32.627 32.600 -0.016 0.000 1.398 1079 M HN -0.186 nan 8.290 nan 0.000 0.453 1080 T N 2.505 117.049 114.554 -0.017 0.000 3.826 1080 T HA 0.236 4.587 4.350 0.003 0.000 0.239 1080 T C 0.418 175.107 174.700 -0.019 0.000 1.007 1080 T CA 0.327 62.415 62.100 -0.020 0.000 1.171 1080 T CB -0.676 68.179 68.868 -0.021 0.000 1.153 1080 T HN 0.200 nan 8.240 nan 0.000 0.854 1081 L N 1.448 122.661 121.223 -0.016 0.000 3.223 1081 L HA 0.564 4.905 4.340 0.003 0.000 0.228 1081 L C -0.326 176.536 176.870 -0.014 0.000 1.946 1081 L CA -1.268 53.564 54.840 -0.014 0.000 1.946 1081 L CB 0.843 42.902 42.059 -0.000 0.000 1.990 1081 L HN 0.312 nan 8.230 nan 0.000 0.553 1082 N N -0.608 118.097 118.700 0.007 0.000 2.540 1082 N HA 0.272 5.013 4.740 0.003 0.000 0.275 1082 N C -1.004 174.591 175.510 0.142 0.000 1.053 1082 N CA -0.216 52.858 53.050 0.041 0.000 0.876 1082 N CB 1.870 40.323 38.487 -0.056 0.000 1.284 1082 N HN 0.582 nan 8.380 nan 0.000 0.518 1083 T N 1.078 115.759 114.554 0.211 0.000 5.066 1083 T HA -0.112 4.239 4.350 0.003 0.000 0.285 1083 T C -0.920 173.685 174.700 -0.158 0.000 1.733 1083 T CA 0.560 62.663 62.100 0.005 0.000 3.084 1083 T CB -1.926 66.924 68.868 -0.030 0.000 1.391 1083 T HN 0.684 nan 8.240 nan 0.000 1.062 1084 F N -1.096 118.984 119.950 0.216 0.000 2.697 1084 F HA 0.400 4.929 4.527 0.003 0.000 0.367 1084 F C 0.513 176.419 175.800 0.177 0.000 1.300 1084 F CA -2.000 56.094 58.000 0.157 0.000 1.121 1084 F CB -1.110 37.932 39.000 0.071 0.000 1.188 1084 F HN 0.333 nan 8.300 nan 0.000 0.511 1090 A N 0.162 122.962 122.820 -0.032 0.000 2.507 1090 A HA 0.185 4.507 4.320 0.003 0.000 0.684 1090 A C 0.451 177.965 177.584 -0.116 0.000 0.218 1090 A CA 0.870 52.881 52.037 -0.043 0.000 0.164 1090 A CB -1.480 17.506 19.000 -0.023 0.000 3.954 1090 A HN 1.927 nan 8.150 nan 0.000 0.547 1091 S N 0.057 115.660 115.700 -0.162 0.000 3.098 1091 S HA -0.116 4.355 4.470 0.003 0.000 0.854 1091 S C 0.846 175.226 174.600 -0.367 0.000 1.004 1091 S CA 0.614 58.680 58.200 -0.223 0.000 1.292 1091 S CB -0.120 63.010 63.200 -0.117 0.000 0.932 1091 S HN 1.241 nan 8.310 nan 0.000 0.283 1092 K N 2.446 122.490 120.400 -0.593 0.000 1.975 1092 K HA 0.144 4.466 4.320 0.003 0.000 0.210 1092 K C 1.769 178.242 176.600 -0.212 0.000 1.041 1092 K CA 1.250 57.206 56.287 -0.552 0.000 0.942 1092 K CB -0.123 31.961 32.500 -0.693 0.000 0.729 1092 K HN 0.527 nan 8.250 nan 0.000 0.439 1093 K N 1.550 121.876 120.400 -0.124 0.000 2.444 1093 K HA 0.066 4.388 4.320 0.003 0.000 0.193 1093 K C 0.306 176.899 176.600 -0.011 0.000 1.024 1093 K CA -0.018 56.202 56.287 -0.112 0.000 1.077 1093 K CB -0.174 32.308 32.500 -0.029 0.000 0.833 1093 K HN 0.138 nan 8.250 nan 0.000 0.517 1094 V N 0.239 120.151 119.914 -0.003 0.000 3.237 1094 V HA 0.101 4.222 4.120 0.003 0.000 0.305 1094 V C 0.501 176.728 176.094 0.221 0.000 1.096 1094 V CA -0.763 61.592 62.300 0.093 0.000 1.130 1094 V CB 0.212 32.084 31.823 0.081 0.000 1.048 1094 V HN 0.280 nan 8.190 nan 0.000 0.484 1095 T N 1.720 116.395 114.554 0.201 0.000 2.799 1095 T HA 0.491 4.843 4.350 0.003 0.000 0.296 1095 T C 0.235 175.067 174.700 0.220 0.000 0.947 1095 T CA 0.196 62.426 62.100 0.216 0.000 1.141 1095 T CB 0.215 69.157 68.868 0.124 0.000 0.891 1095 T HN 1.565 nan 8.240 nan 0.000 0.533 1096 S N 2.345 118.208 115.700 0.271 0.000 2.811 1096 S HA 0.935 5.407 4.470 0.003 0.000 0.311 1096 S C 0.526 175.186 174.600 0.100 0.000 1.152 1096 S CA -0.093 58.229 58.200 0.203 0.000 0.864 1096 S CB 1.298 64.676 63.200 0.298 0.000 1.226 1096 S HN 2.131 nan 8.310 nan 0.000 0.541 1097 G N -0.023 108.822 108.800 0.075 0.000 2.693 1097 G HA2 -0.184 3.778 3.960 0.003 0.000 0.226 1097 G HA3 -0.184 3.778 3.960 0.003 0.000 0.226 1097 G C 0.596 175.504 174.900 0.014 0.000 1.354 1097 G CA -0.131 44.984 45.100 0.025 0.000 0.873 1097 G HN 1.549 nan 8.290 nan 0.000 0.562 1098 V N 2.004 121.918 119.914 0.000 0.000 2.278 1098 V HA -0.185 3.937 4.120 0.003 0.000 0.251 1098 V C 0.690 176.796 176.094 0.019 0.000 1.062 1098 V CA 3.344 65.648 62.300 0.006 0.000 1.038 1098 V CB -1.474 30.350 31.823 0.002 0.000 0.646 1098 V HN 0.647 nan 8.190 nan 0.000 0.447 1099 P HA -0.219 nan 4.420 nan 0.000 0.216 1099 P C 1.752 179.079 177.300 0.045 0.000 1.157 1099 P CA 1.745 64.858 63.100 0.022 0.000 0.880 1099 P CB -0.093 31.608 31.700 0.002 0.000 0.791 1100 R N -0.300 120.232 120.500 0.053 0.000 2.070 1100 R HA -0.112 4.229 4.340 0.003 0.000 0.233 1100 R C 2.135 178.478 176.300 0.072 0.000 1.137 1100 R CA 1.339 57.485 56.100 0.076 0.000 0.945 1100 R CB -1.732 28.621 30.300 0.088 0.000 0.845 1100 R HN 0.036 nan 8.270 nan 0.000 0.430 1101 L N 1.232 122.484 121.223 0.048 0.000 2.129 1101 L HA -0.160 4.182 4.340 0.003 0.000 0.212 1101 L C 2.055 178.953 176.870 0.047 0.000 1.087 1101 L CA 2.064 56.923 54.840 0.033 0.000 0.757 1101 L CB -0.679 41.385 42.059 0.008 0.000 0.896 1101 L HN 0.296 nan 8.230 nan 0.000 0.434 1102 K N -0.533 119.901 120.400 0.057 0.000 2.057 1102 K HA -0.194 4.127 4.320 0.003 0.000 0.207 1102 K C 1.892 178.548 176.600 0.094 0.000 1.049 1102 K CA 1.786 58.118 56.287 0.074 0.000 0.931 1102 K CB -0.072 32.473 32.500 0.075 0.000 0.714 1102 K HN 0.540 nan 8.250 nan 0.000 0.440 1103 E N 0.575 120.834 120.200 0.098 0.000 2.017 1103 E HA -0.200 4.151 4.350 0.003 0.000 0.193 1103 E C 1.984 178.691 176.600 0.179 0.000 0.997 1103 E CA 1.281 57.755 56.400 0.123 0.000 0.804 1103 E CB -0.181 29.589 29.700 0.116 0.000 0.757 1103 E HN 0.226 nan 8.360 nan 0.000 0.448 1104 I N 0.955 121.636 120.570 0.186 0.000 2.229 1104 I HA -0.290 3.882 4.170 0.003 0.000 0.250 1104 I C 2.262 178.464 176.117 0.142 0.000 1.096 1104 I CA 1.635 63.044 61.300 0.183 0.000 1.358 1104 I CB -0.868 37.152 38.000 0.032 0.000 1.047 1104 I HN 0.186 nan 8.210 nan 0.000 0.422 1105 L N -0.374 120.913 121.223 0.107 0.000 2.463 1105 L HA 0.040 4.382 4.340 0.003 0.000 0.219 1105 L C 1.625 178.574 176.870 0.131 0.000 1.088 1105 L CA 0.240 55.130 54.840 0.084 0.000 0.849 1105 L CB -0.365 41.715 42.059 0.036 0.000 1.012 1105 L HN 0.143 nan 8.230 nan 0.000 0.468 1106 N N -0.301 118.488 118.700 0.148 0.000 2.467 1106 N HA 0.008 4.749 4.740 0.003 0.000 0.184 1106 N C 0.319 175.918 175.510 0.150 0.000 1.106 1106 N CA 0.193 53.335 53.050 0.153 0.000 0.892 1106 N CB 0.212 38.778 38.487 0.132 0.000 0.969 1106 N HN -0.101 nan 8.380 nan 0.000 0.454 1107 V N 0.419 120.451 119.914 0.197 0.000 5.919 1107 V HA -0.265 3.856 4.120 0.003 0.000 0.195 1107 V C 0.424 176.554 176.094 0.061 0.000 0.690 1107 V CA 0.247 62.658 62.300 0.184 0.000 0.572 1107 V CB -2.529 29.392 31.823 0.165 0.000 0.449 1107 V HN 0.405 nan 8.190 nan 0.000 0.430 1108 A N 4.253 127.103 122.820 0.050 0.000 2.362 1108 A HA 0.554 4.875 4.320 0.003 0.000 0.276 1108 A C 1.256 178.805 177.584 -0.058 0.000 1.153 1108 A CA -0.385 51.657 52.037 0.008 0.000 0.813 1108 A CB 0.577 19.600 19.000 0.038 0.000 1.081 1108 A HN 0.529 nan 8.150 nan 0.000 0.507 1109 K N 1.536 121.905 120.400 -0.052 0.000 2.062 1109 K HA -0.036 4.286 4.320 0.003 0.000 0.205 1109 K C -0.181 176.384 176.600 -0.059 0.000 1.051 1109 K CA 0.987 57.233 56.287 -0.069 0.000 0.941 1109 K CB -0.110 32.358 32.500 -0.054 0.000 0.719 1109 K HN 0.673 nan 8.250 nan 0.000 0.440 1110 N N 1.933 120.612 118.700 -0.035 0.000 2.558 1110 N HA 0.123 4.865 4.740 0.003 0.000 0.233 1110 N C -0.319 175.184 175.510 -0.012 0.000 1.038 1110 N CA 0.010 53.045 53.050 -0.024 0.000 0.934 1110 N CB 0.506 38.984 38.487 -0.015 0.000 1.175 1110 N HN 0.214 nan 8.380 nan 0.000 0.512 1111 M N -0.390 119.199 119.600 -0.017 0.000 2.300 1111 M HA 0.473 4.955 4.480 0.003 0.000 0.348 1111 M C 0.575 176.881 176.300 0.011 0.000 1.151 1111 M CA -0.630 54.672 55.300 0.003 0.000 1.046 1111 M CB 2.074 34.673 32.600 -0.001 0.000 1.647 1111 M HN -0.099 nan 8.290 nan 0.000 0.451 1112 K N 1.196 121.612 120.400 0.027 0.000 2.097 1112 K HA 0.009 4.331 4.320 0.003 0.000 0.206 1112 K C 0.059 176.679 176.600 0.034 0.000 1.049 1112 K CA 1.373 57.679 56.287 0.030 0.000 0.933 1112 K CB 0.058 32.582 32.500 0.040 0.000 0.717 1112 K HN 0.858 nan 8.250 nan 0.000 0.442 1113 T N 1.837 116.417 114.554 0.042 0.000 3.317 1113 T HA 0.309 4.660 4.350 0.003 0.000 0.361 1113 T C -2.766 171.954 174.700 0.033 0.000 1.499 1113 T CA -1.712 60.414 62.100 0.043 0.000 1.529 1113 T CB 1.423 70.331 68.868 0.067 0.000 0.997 1113 T HN -0.156 nan 8.240 nan 0.000 0.624 1114 P HA 0.527 nan 4.420 nan 0.000 0.278 1114 P C -0.498 176.800 177.300 -0.004 0.000 1.238 1114 P CA -0.458 62.638 63.100 -0.007 0.000 0.794 1114 P CB 0.932 32.615 31.700 -0.029 0.000 0.955 1115 S N 2.752 118.445 115.700 -0.012 0.000 2.668 1115 S HA 0.418 4.889 4.470 0.003 0.000 0.277 1115 S C -1.097 173.487 174.600 -0.027 0.000 1.170 1115 S CA -0.700 57.498 58.200 -0.003 0.000 0.994 1115 S CB 0.187 63.406 63.200 0.031 0.000 1.051 1115 S HN 0.145 nan 8.310 nan 0.000 0.484 1116 L N 3.593 124.800 121.223 -0.026 0.000 2.395 1116 L HA 0.595 4.936 4.340 0.003 0.000 0.269 1116 L C 0.215 177.071 176.870 -0.024 0.000 1.133 1116 L CA 0.339 55.158 54.840 -0.036 0.000 0.812 1116 L CB 1.348 43.385 42.059 -0.036 0.000 1.125 1116 L HN 0.856 nan 8.230 nan 0.000 0.452 1117 T N 2.796 117.327 114.554 -0.039 0.000 3.050 1117 T HA 0.490 4.841 4.350 0.003 0.000 0.310 1117 T C -0.492 174.078 174.700 -0.216 0.000 0.978 1117 T CA -0.437 61.611 62.100 -0.085 0.000 1.013 1117 T CB 1.478 70.359 68.868 0.021 0.000 1.000 1117 T HN 0.317 nan 8.240 nan 0.000 0.447 1118 V N 1.830 121.604 119.914 -0.233 0.000 2.667 1118 V HA 0.741 4.863 4.120 0.003 0.000 0.308 1118 V C -1.216 174.740 176.094 -0.231 0.000 1.048 1118 V CA -1.209 60.971 62.300 -0.201 0.000 0.928 1118 V CB 1.156 32.941 31.823 -0.063 0.000 1.004 1118 V HN 0.803 nan 8.190 nan 0.000 0.444 1119 Y N 1.811 122.168 120.300 0.095 0.000 2.468 1119 Y HA 0.696 5.248 4.550 0.003 0.000 0.342 1119 Y C 0.019 175.970 175.900 0.086 0.000 1.021 1119 Y CA -1.068 57.091 58.100 0.099 0.000 1.079 1119 Y CB 1.886 40.413 38.460 0.112 0.000 1.226 1119 Y HN 0.480 nan 8.280 nan 0.000 0.460 1120 L N 1.525 122.909 121.223 0.268 0.000 2.472 1120 L HA 0.076 4.418 4.340 0.003 0.000 0.260 1120 L C 0.527 177.503 176.870 0.175 0.000 1.209 1120 L CA 0.078 55.030 54.840 0.186 0.000 0.817 1120 L CB 0.289 42.457 42.059 0.182 0.000 1.106 1120 L HN 0.609 nan 8.230 nan 0.000 0.479 1121 E N 2.296 122.598 120.200 0.170 0.000 2.376 1121 E HA 0.002 4.353 4.350 0.003 0.000 0.266 1121 E C -1.700 174.965 176.600 0.109 0.000 1.009 1121 E CA -1.248 55.236 56.400 0.141 0.000 0.902 1121 E CB 0.913 30.710 29.700 0.161 0.000 0.972 1121 E HN 0.333 nan 8.360 nan 0.000 0.439 1122 P HA -0.195 nan 4.420 nan 0.000 0.217 1122 P C 1.084 178.376 177.300 -0.013 0.000 1.148 1122 P CA 1.652 64.767 63.100 0.025 0.000 0.834 1122 P CB 0.060 31.763 31.700 0.006 0.000 0.783 1123 G N -1.489 107.270 108.800 -0.068 0.000 2.475 1123 G HA2 -0.187 3.775 3.960 0.003 0.000 0.220 1123 G HA3 -0.187 3.775 3.960 0.003 0.000 0.220 1123 G C 0.660 175.354 174.900 -0.343 0.000 1.125 1123 G CA 0.942 45.913 45.100 -0.216 0.000 0.755 1123 G HN 0.346 nan 8.290 nan 0.000 0.565 1124 H N -1.796 117.295 119.070 0.036 0.000 2.651 1124 H HA 0.664 5.221 4.556 0.003 0.000 0.353 1124 H C 0.552 175.920 175.328 0.068 0.000 1.178 1124 H CA -0.111 55.965 56.048 0.048 0.000 1.224 1124 H CB 2.103 31.893 29.762 0.046 0.000 1.702 1124 H HN 0.122 nan 8.280 nan 0.000 0.550 1125 A N 0.316 123.272 122.820 0.226 0.000 1.696 1125 A HA 0.407 4.728 4.320 0.003 0.000 0.184 1125 A C 1.031 178.765 177.584 0.250 0.000 1.658 1125 A CA 0.671 52.818 52.037 0.184 0.000 1.194 1125 A CB -0.535 18.531 19.000 0.109 0.000 1.036 1125 A HN 0.577 nan 8.150 nan 0.000 0.579 1126 A N 0.096 123.062 122.820 0.244 0.000 2.500 1126 A HA 0.412 4.734 4.320 0.003 0.000 0.267 1126 A C -0.043 177.783 177.584 0.403 0.000 1.290 1126 A CA 0.410 52.660 52.037 0.355 0.000 0.928 1126 A CB -0.353 18.750 19.000 0.172 0.000 1.066 1126 A HN 0.266 nan 8.150 nan 0.000 0.516 1127 D N 1.111 121.660 120.400 0.248 0.000 2.455 1127 D HA 0.208 4.850 4.640 0.003 0.000 0.234 1127 D C 1.444 177.682 176.300 -0.103 0.000 1.224 1127 D CA -0.110 53.945 54.000 0.091 0.000 0.999 1127 D CB 0.674 41.517 40.800 0.070 0.000 1.072 1127 D HN 0.442 nan 8.370 nan 0.000 0.514 1128 Q N 2.380 122.034 119.800 -0.242 0.000 2.112 1128 Q HA -0.229 4.113 4.340 0.003 0.000 0.206 1128 Q C 1.692 177.402 176.000 -0.483 0.000 0.987 1128 Q CA 1.494 56.842 55.803 -0.757 0.000 0.858 1128 Q CB -0.447 27.798 28.738 -0.822 0.000 0.905 1128 Q HN 0.591 nan 8.270 nan 0.000 0.420 1129 E N 0.131 120.165 120.200 -0.277 0.000 2.171 1129 E HA -0.322 4.029 4.350 0.003 0.000 0.197 1129 E C 2.049 178.516 176.600 -0.220 0.000 0.997 1129 E CA 1.421 57.694 56.400 -0.211 0.000 0.810 1129 E CB 0.052 29.673 29.700 -0.133 0.000 0.738 1129 E HN 0.529 nan 8.360 nan 0.000 0.467 1130 Q N 0.457 120.110 119.800 -0.245 0.000 2.020 1130 Q HA -0.134 4.207 4.340 0.003 0.000 0.202 1130 Q C 1.929 177.783 176.000 -0.242 0.000 0.982 1130 Q CA 2.165 57.800 55.803 -0.280 0.000 0.838 1130 Q CB -0.477 28.019 28.738 -0.404 0.000 0.899 1130 Q HN 0.275 nan 8.270 nan 0.000 0.423 1131 A N 0.663 123.319 122.820 -0.273 0.000 1.883 1131 A HA -0.246 4.076 4.320 0.003 0.000 0.217 1131 A C 2.071 179.509 177.584 -0.244 0.000 1.186 1131 A CA 1.868 53.756 52.037 -0.249 0.000 0.624 1131 A CB -0.626 18.167 19.000 -0.344 0.000 0.822 1131 A HN 0.423 nan 8.150 nan 0.000 0.444 1132 K N -0.618 119.605 120.400 -0.294 0.000 2.044 1132 K HA -0.151 4.170 4.320 0.003 0.000 0.210 1132 K C 1.960 178.454 176.600 -0.177 0.000 1.049 1132 K CA 1.573 57.713 56.287 -0.245 0.000 0.927 1132 K CB -0.433 31.922 32.500 -0.240 0.000 0.713 1132 K HN 0.494 nan 8.250 nan 0.000 0.443 1133 L N 0.753 121.880 121.223 -0.160 0.000 1.971 1133 L HA -0.275 4.066 4.340 0.003 0.000 0.215 1133 L C 2.370 179.177 176.870 -0.104 0.000 1.072 1133 L CA 1.582 56.349 54.840 -0.121 0.000 0.758 1133 L CB -0.487 41.501 42.059 -0.117 0.000 0.889 1133 L HN 0.234 nan 8.230 nan 0.000 0.433 1134 I N -0.889 119.616 120.570 -0.107 0.000 2.151 1134 I HA -0.366 3.805 4.170 0.003 0.000 0.243 1134 I C 2.767 178.838 176.117 -0.076 0.000 1.080 1134 I CA 1.286 62.538 61.300 -0.079 0.000 1.339 1134 I CB -0.524 37.434 38.000 -0.069 0.000 1.039 1134 I HN 0.274 nan 8.210 nan 0.000 0.409 1135 R N 1.283 121.720 120.500 -0.104 0.000 2.115 1135 R HA -0.240 4.102 4.340 0.003 0.000 0.239 1135 R C 2.073 178.327 176.300 -0.077 0.000 1.133 1135 R CA 2.404 58.440 56.100 -0.107 0.000 0.935 1135 R CB -0.352 29.843 30.300 -0.175 0.000 0.853 1135 R HN 0.505 nan 8.270 nan 0.000 0.433 1136 S N -1.443 114.207 115.700 -0.084 0.000 2.743 1136 S HA 0.253 4.724 4.470 0.003 0.000 0.230 1136 S C 0.815 175.386 174.600 -0.048 0.000 0.950 1136 S CA 0.165 58.330 58.200 -0.058 0.000 0.976 1136 S CB 1.139 64.300 63.200 -0.065 0.000 0.779 1136 S HN 0.455 nan 8.310 nan 0.000 0.487 1137 A N 0.318 123.111 122.820 -0.044 0.000 2.456 1137 A HA 0.501 4.822 4.320 0.003 0.000 0.237 1137 A C 1.436 179.008 177.584 -0.020 0.000 1.217 1137 A CA -0.127 51.890 52.037 -0.034 0.000 0.962 1137 A CB 0.131 19.108 19.000 -0.037 0.000 1.079 1137 A HN 0.493 nan 8.150 nan 0.000 0.536 1138 I N -0.320 120.241 120.570 -0.016 0.000 3.136 1138 I HA 0.131 4.302 4.170 0.003 0.000 0.262 1138 I C 0.956 177.088 176.117 0.025 0.000 1.132 1138 I CA 0.261 61.561 61.300 0.001 0.000 1.450 1138 I CB -1.108 36.886 38.000 -0.009 0.000 1.315 1138 I HN 0.367 nan 8.210 nan 0.000 0.460 1139 E N 1.744 121.959 120.200 0.025 0.000 2.529 1139 E HA -0.174 4.177 4.350 0.003 0.000 0.259 1139 E C -0.316 176.326 176.600 0.069 0.000 0.966 1139 E CA 0.286 56.719 56.400 0.056 0.000 0.937 1139 E CB 0.248 29.986 29.700 0.062 0.000 0.923 1139 E HN 0.169 nan 8.360 nan 0.000 0.468 1140 H N 2.480 121.547 119.070 -0.005 0.000 2.722 1140 H HA 0.213 4.771 4.556 0.003 0.000 0.328 1140 H C -1.085 174.235 175.328 -0.014 0.000 1.067 1140 H CA 0.213 56.253 56.048 -0.013 0.000 1.447 1140 H CB 0.824 30.577 29.762 -0.016 0.000 1.469 1140 H HN 0.295 nan 8.280 nan 0.000 0.544 1141 T N 4.931 119.228 114.554 -0.429 0.000 2.965 1141 T HA 0.237 4.588 4.350 0.003 0.000 0.306 1141 T C -0.592 173.892 174.700 -0.360 0.000 0.991 1141 T CA -0.947 60.984 62.100 -0.281 0.000 1.001 1141 T CB 0.707 69.486 68.868 -0.149 0.000 0.984 1141 T HN 0.715 nan 8.240 nan 0.000 0.446 1142 T N 1.243 115.653 114.554 -0.240 0.000 2.922 1142 T HA 0.410 4.761 4.350 0.003 0.000 0.285 1142 T C 1.366 176.012 174.700 -0.091 0.000 1.005 1142 T CA -0.948 61.062 62.100 -0.150 0.000 1.061 1142 T CB 1.113 69.957 68.868 -0.041 0.000 1.007 1142 T HN 0.239 nan 8.240 nan 0.000 0.502 1143 L N 1.157 122.337 121.223 -0.072 0.000 2.129 1143 L HA -0.061 4.280 4.340 0.003 0.000 0.212 1143 L C 2.445 179.295 176.870 -0.032 0.000 1.087 1143 L CA 1.827 56.637 54.840 -0.051 0.000 0.757 1143 L CB -1.016 41.023 42.059 -0.033 0.000 0.896 1143 L HN 0.900 nan 8.230 nan 0.000 0.434 1144 K N -0.668 119.719 120.400 -0.022 0.000 2.063 1144 K HA -0.174 4.147 4.320 0.003 0.000 0.208 1144 K C 1.972 178.563 176.600 -0.014 0.000 1.048 1144 K CA 1.609 57.890 56.287 -0.009 0.000 0.928 1144 K CB -0.180 32.320 32.500 0.001 0.000 0.713 1144 K HN 0.612 nan 8.250 nan 0.000 0.442 1145 S N -0.238 115.449 115.700 -0.023 0.000 2.547 1145 S HA -0.040 4.431 4.470 0.003 0.000 0.235 1145 S C 1.115 175.698 174.600 -0.028 0.000 0.980 1145 S CA 0.702 58.887 58.200 -0.025 0.000 0.941 1145 S CB 0.062 63.243 63.200 -0.031 0.000 0.763 1145 S HN 0.192 nan 8.310 nan 0.000 0.532 1146 V N -1.457 118.439 119.914 -0.030 0.000 2.909 1146 V HA 0.412 4.533 4.120 0.003 0.000 0.362 1146 V C -0.270 175.812 176.094 -0.020 0.000 1.356 1146 V CA -0.560 61.723 62.300 -0.029 0.000 1.195 1146 V CB -0.384 31.415 31.823 -0.040 0.000 1.256 1146 V HN 0.238 nan 8.190 nan 0.000 0.567 1147 T N 1.919 116.465 114.554 -0.012 0.000 2.791 1147 T HA 0.550 4.901 4.350 0.003 0.000 0.288 1147 T C 1.049 175.750 174.700 0.002 0.000 0.999 1147 T CA -0.306 61.792 62.100 -0.003 0.000 0.952 1147 T CB 2.213 71.082 68.868 0.002 0.000 0.938 1147 T HN -0.019 nan 8.240 nan 0.000 0.444 1148 I N 1.757 122.330 120.570 0.005 0.000 2.162 1148 I HA 0.153 4.324 4.170 0.003 0.000 0.238 1148 I C 1.286 177.411 176.117 0.015 0.000 1.076 1148 I CA 1.033 62.338 61.300 0.009 0.000 1.353 1148 I CB -0.572 37.434 38.000 0.012 0.000 1.063 1148 I HN 0.675 nan 8.210 nan 0.000 0.408 1149 A N 0.038 122.872 122.820 0.023 0.000 2.555 1149 A HA 0.518 4.839 4.320 0.003 0.000 0.297 1149 A C -0.236 177.373 177.584 0.042 0.000 1.060 1149 A CA -0.417 51.639 52.037 0.031 0.000 0.710 1149 A CB 1.127 20.150 19.000 0.039 0.000 1.282 1149 A HN 0.215 nan 8.150 nan 0.000 0.399 1150 S N 1.424 117.150 115.700 0.043 0.000 2.565 1150 S HA 0.868 5.340 4.470 0.003 0.000 0.290 1150 S C -0.560 174.088 174.600 0.080 0.000 1.150 1150 S CA -0.211 58.022 58.200 0.055 0.000 1.058 1150 S CB 1.187 64.412 63.200 0.040 0.000 1.032 1150 S HN 1.059 nan 8.310 nan 0.000 0.510 1151 E N 0.953 121.226 120.200 0.122 0.000 2.380 1151 E HA 0.533 4.885 4.350 0.003 0.000 0.281 1151 E C -1.703 175.057 176.600 0.267 0.000 0.999 1151 E CA -0.901 55.611 56.400 0.186 0.000 0.800 1151 E CB 0.900 30.774 29.700 0.289 0.000 1.228 1151 E HN 0.511 nan 8.360 nan 0.000 0.436 1152 I N 1.724 122.420 120.570 0.210 0.000 2.460 1152 I HA 0.425 4.596 4.170 0.003 0.000 0.298 1152 I C -1.149 175.160 176.117 0.320 0.000 0.989 1152 I CA -0.486 60.963 61.300 0.249 0.000 1.173 1152 I CB 0.859 38.897 38.000 0.063 0.000 1.338 1152 I HN 0.448 nan 8.210 nan 0.000 0.456 1153 Y N 3.760 124.185 120.300 0.208 0.000 2.553 1153 Y HA 0.313 4.865 4.550 0.003 0.000 0.347 1153 Y C -0.932 175.207 175.900 0.398 0.000 1.019 1153 Y CA -1.028 57.223 58.100 0.252 0.000 1.032 1153 Y CB 1.349 39.897 38.460 0.147 0.000 1.284 1153 Y HN 0.365 nan 8.280 nan 0.000 0.466 1154 Y N 2.273 122.781 120.300 0.347 0.000 2.650 1154 Y HA 0.350 4.901 4.550 0.003 0.000 0.343 1154 Y C -0.755 175.167 175.900 0.037 0.000 1.078 1154 Y CA -0.518 57.627 58.100 0.075 0.000 1.356 1154 Y CB 0.033 38.425 38.460 -0.114 0.000 1.204 1154 Y HN 0.541 nan 8.280 nan 0.000 0.508 1155 D N 7.375 127.679 120.400 -0.159 0.000 2.392 1155 D HA 0.283 4.925 4.640 0.003 0.000 0.228 1155 D C -2.002 174.067 176.300 -0.385 0.000 1.074 1155 D CA -2.157 51.748 54.000 -0.159 0.000 0.838 1155 D CB 1.766 42.531 40.800 -0.058 0.000 1.067 1155 D HN 0.274 nan 8.370 nan 0.000 0.511 1156 P HA 0.066 nan 4.420 nan 0.000 0.214 1156 P C -0.070 177.115 177.300 -0.191 0.000 1.144 1156 P CA 0.053 62.942 63.100 -0.352 0.000 0.884 1156 P CB 0.265 31.846 31.700 -0.199 0.000 0.784 1157 D N 0.577 120.906 120.400 -0.118 0.000 2.346 1157 D HA 0.062 4.704 4.640 0.003 0.000 0.260 1157 D C -1.549 174.689 176.300 -0.104 0.000 1.252 1157 D CA -1.819 52.126 54.000 -0.091 0.000 0.895 1157 D CB 0.737 41.502 40.800 -0.058 0.000 1.097 1157 D HN -0.002 nan 8.370 nan 0.000 0.489 1158 P HA -0.072 nan 4.420 nan 0.000 0.215 1158 P C 1.285 178.518 177.300 -0.113 0.000 1.157 1158 P CA 0.819 63.839 63.100 -0.133 0.000 0.859 1158 P CB 0.320 31.920 31.700 -0.166 0.000 0.786 1159 R N -0.316 120.126 120.500 -0.096 0.000 2.115 1159 R HA 0.082 4.424 4.340 0.003 0.000 0.230 1159 R C 0.447 176.710 176.300 -0.061 0.000 1.111 1159 R CA 1.008 57.063 56.100 -0.075 0.000 0.976 1159 R CB -0.954 29.309 30.300 -0.062 0.000 0.870 1159 R HN 0.160 nan 8.270 nan 0.000 0.445 1160 S N 1.237 116.903 115.700 -0.056 0.000 2.601 1160 S HA 0.232 4.703 4.470 0.003 0.000 0.312 1160 S C -0.391 174.185 174.600 -0.041 0.000 1.107 1160 S CA -0.425 57.749 58.200 -0.043 0.000 1.129 1160 S CB 2.114 65.294 63.200 -0.033 0.000 0.982 1160 S HN 0.034 nan 8.310 nan 0.000 0.469 1161 T N 2.253 116.783 114.554 -0.040 0.000 2.913 1161 T HA 0.145 4.497 4.350 0.003 0.000 0.297 1161 T C 1.615 176.309 174.700 -0.010 0.000 1.029 1161 T CA -0.433 61.647 62.100 -0.034 0.000 1.104 1161 T CB 1.065 69.904 68.868 -0.047 0.000 0.964 1161 T HN 0.326 nan 8.240 nan 0.000 0.532 1162 V N 2.547 122.470 119.914 0.014 0.000 3.041 1162 V HA 0.054 4.176 4.120 0.003 0.000 0.260 1162 V C 0.953 177.080 176.094 0.055 0.000 1.105 1162 V CA 0.939 63.267 62.300 0.047 0.000 1.125 1162 V CB -0.608 31.269 31.823 0.090 0.000 0.730 1162 V HN 0.690 nan 8.190 nan 0.000 0.479 1163 I N 1.620 122.210 120.570 0.034 0.000 2.441 1163 I HA 0.159 4.330 4.170 0.003 0.000 0.287 1163 I C -1.207 174.915 176.117 0.009 0.000 1.049 1163 I CA -1.384 59.932 61.300 0.027 0.000 1.381 1163 I CB 0.885 38.861 38.000 -0.040 0.000 1.409 1163 I HN 0.071 nan 8.210 nan 0.000 0.523 1164 P HA -0.008 nan 4.420 nan 0.000 0.231 1164 P C 0.848 178.151 177.300 0.004 0.000 1.168 1164 P CA 0.759 63.866 63.100 0.011 0.000 0.779 1164 P CB 0.221 31.933 31.700 0.019 0.000 0.844 1165 E N -0.034 120.168 120.200 0.004 0.000 2.274 1165 E HA -0.061 4.290 4.350 0.003 0.000 0.194 1165 E C -0.184 176.409 176.600 -0.011 0.000 0.996 1165 E CA 0.705 57.104 56.400 -0.001 0.000 0.840 1165 E CB -0.200 29.502 29.700 0.003 0.000 0.772 1165 E HN 0.353 nan 8.360 nan 0.000 0.491 1166 D N 0.561 120.948 120.400 -0.022 0.000 2.460 1166 D HA 0.073 4.715 4.640 0.003 0.000 0.268 1166 D C 0.187 176.471 176.300 -0.027 0.000 1.153 1166 D CA -0.016 53.968 54.000 -0.027 0.000 0.929 1166 D CB 1.131 41.905 40.800 -0.043 0.000 1.015 1166 D HN 0.079 nan 8.370 nan 0.000 0.502 1167 E N 1.623 121.810 120.200 -0.021 0.000 2.024 1167 E HA -0.072 4.279 4.350 0.003 0.000 0.190 1167 E C 0.167 176.748 176.600 -0.032 0.000 0.974 1167 E CA 0.451 56.837 56.400 -0.024 0.000 0.810 1167 E CB 0.434 30.122 29.700 -0.019 0.000 0.775 1167 E HN 0.455 nan 8.360 nan 0.000 0.453 1168 E N -0.107 120.075 120.200 -0.031 0.000 2.063 1168 E HA 0.254 4.606 4.350 0.003 0.000 0.265 1168 E C -0.162 176.416 176.600 -0.036 0.000 0.919 1168 E CA -0.113 56.263 56.400 -0.040 0.000 0.756 1168 E CB 1.267 30.942 29.700 -0.042 0.000 1.120 1168 E HN 0.172 nan 8.360 nan 0.000 0.414 1169 I N 3.247 123.793 120.570 -0.040 0.000 4.676 1169 I HA 0.148 4.319 4.170 0.003 0.000 0.306 1169 I C 0.474 176.568 176.117 -0.039 0.000 1.178 1169 I CA -0.182 61.093 61.300 -0.041 0.000 1.335 1169 I CB 0.747 38.722 38.000 -0.042 0.000 1.541 1169 I HN 0.638 nan 8.210 nan 0.000 0.469 1170 I N 1.099 121.652 120.570 -0.029 0.000 5.528 1170 I HA -0.279 3.892 4.170 0.003 0.000 0.126 1170 I C 0.907 176.995 176.117 -0.048 0.000 1.814 1170 I CA 0.734 62.008 61.300 -0.043 0.000 2.037 1170 I CB -1.159 36.813 38.000 -0.047 0.000 3.355 1170 I HN 0.582 nan 8.210 nan 0.000 0.169 1171 Q N -1.055 118.710 119.800 -0.058 0.000 1.223 1171 Q HA 0.072 4.413 4.340 0.003 0.000 0.123 1171 Q C 0.918 176.821 176.000 -0.161 0.000 0.653 1171 Q CA 1.072 56.818 55.803 -0.094 0.000 0.595 1171 Q CB 0.062 28.756 28.738 -0.073 0.000 1.050 1171 Q HN 0.611 nan 8.270 nan 0.000 0.319 1172 L N -1.356 119.778 121.223 -0.148 0.000 3.195 1172 L HA 0.292 4.633 4.340 0.003 0.000 0.290 1172 L C 1.791 178.564 176.870 -0.162 0.000 1.092 1172 L CA 1.142 55.836 54.840 -0.245 0.000 1.094 1172 L CB -0.185 41.796 42.059 -0.130 0.000 1.743 1172 L HN 0.166 nan 8.230 nan 0.000 0.579 1173 H N 1.518 120.517 119.070 -0.119 0.000 2.427 1173 H HA -0.324 4.234 4.556 0.003 0.000 0.284 1173 H C 0.267 175.653 175.328 0.097 0.000 1.132 1173 H CA 2.397 58.416 56.048 -0.048 0.000 1.149 1173 H CB -0.306 29.432 29.762 -0.040 0.000 1.349 1173 H HN 0.400 nan 8.280 nan 0.000 0.482 1174 F N -0.419 119.418 119.950 -0.188 0.000 2.985 1174 F HA -0.255 4.274 4.527 0.003 0.000 0.303 1174 F C 1.394 176.986 175.800 -0.347 0.000 0.976 1174 F CA 0.830 58.699 58.000 -0.218 0.000 1.013 1174 F CB -1.932 36.957 39.000 -0.185 0.000 1.060 1174 F HN 0.412 nan 8.300 nan 0.000 0.780 1175 S N -1.331 114.351 115.700 -0.031 0.000 2.522 1175 S HA 0.034 4.506 4.470 0.003 0.000 0.227 1175 S C 1.367 176.030 174.600 0.105 0.000 0.986 1175 S CA 0.564 58.815 58.200 0.085 0.000 0.929 1175 S CB -0.241 63.269 63.200 0.517 0.000 0.769 1175 S HN 0.579 nan 8.310 nan 0.000 0.529 1176 L N -0.624 120.672 121.223 0.122 0.000 2.777 1176 L HA 0.419 4.761 4.340 0.003 0.000 0.244 1176 L C 1.166 178.077 176.870 0.067 0.000 1.235 1176 L CA 0.065 54.961 54.840 0.093 0.000 1.062 1176 L CB -0.407 41.713 42.059 0.101 0.000 1.340 1176 L HN 0.092 nan 8.230 nan 0.000 0.439 1177 L N 0.158 121.398 121.223 0.028 0.000 2.640 1177 L HA 0.174 4.515 4.340 0.003 0.000 0.230 1177 L C 1.187 178.046 176.870 -0.018 0.000 1.123 1177 L CA 0.824 55.645 54.840 -0.032 0.000 0.900 1177 L CB -0.314 41.685 42.059 -0.099 0.000 1.146 1177 L HN 0.553 nan 8.230 nan 0.000 0.484 1178 D N 0.091 120.495 120.400 0.007 0.000 2.634 1178 D HA 0.001 4.643 4.640 0.003 0.000 0.262 1178 D C 0.692 176.996 176.300 0.008 0.000 1.354 1178 D CA 0.168 54.175 54.000 0.011 0.000 1.028 1178 D CB 0.297 41.114 40.800 0.029 0.000 1.061 1178 D HN 0.365 nan 8.370 nan 0.000 0.387 1188 Q N -1.034 118.726 119.800 -0.066 0.000 2.776 1188 Q HA 0.648 4.990 4.340 0.003 0.000 0.347 1188 Q C -1.757 174.197 176.000 -0.075 0.000 0.749 1188 Q CA -0.020 55.724 55.803 -0.098 0.000 0.866 1188 Q CB 1.664 30.344 28.738 -0.097 0.000 1.270 1188 Q HN 0.111 nan 8.270 nan 0.000 0.512 1189 S N -0.372 115.274 115.700 -0.090 0.000 2.542 1189 S HA 0.486 4.957 4.470 0.003 0.000 0.276 1189 S C -2.514 172.015 174.600 -0.119 0.000 1.148 1189 S CA -0.930 57.232 58.200 -0.064 0.000 0.886 1189 S CB 1.452 64.637 63.200 -0.025 0.000 1.109 1189 S HN 0.495 nan 8.310 nan 0.000 0.458 1190 P HA 0.220 nan 4.420 nan 0.000 0.214 1190 P C -0.164 176.890 177.300 -0.410 0.000 1.163 1190 P CA 0.599 63.485 63.100 -0.357 0.000 0.881 1190 P CB 0.002 31.454 31.700 -0.413 0.000 0.775 1191 W N 0.526 121.750 121.300 -0.127 0.000 2.316 1191 W HA 0.513 5.174 4.660 0.003 0.000 0.321 1191 W C 0.289 176.784 176.519 -0.040 0.000 1.203 1191 W CA -0.694 56.609 57.345 -0.070 0.000 1.214 1191 W CB 0.689 30.156 29.460 0.011 0.000 1.169 1191 W HN -0.125 nan 8.180 nan 0.000 0.561 1192 L N 4.553 125.955 121.223 0.298 0.000 2.322 1192 L HA 0.770 5.112 4.340 0.003 0.000 0.269 1192 L C -1.367 175.618 176.870 0.191 0.000 1.012 1192 L CA -1.145 53.798 54.840 0.171 0.000 0.815 1192 L CB 1.467 43.583 42.059 0.096 0.000 1.295 1192 L HN 0.392 nan 8.230 nan 0.000 0.438 1193 L N 3.289 124.578 121.223 0.110 0.000 2.457 1193 L HA 0.582 4.923 4.340 0.003 0.000 0.266 1193 L C -0.724 176.179 176.870 0.056 0.000 0.979 1193 L CA -0.186 54.715 54.840 0.100 0.000 0.857 1193 L CB 1.334 43.432 42.059 0.066 0.000 1.213 1193 L HN 0.739 nan 8.230 nan 0.000 0.418 1194 R N 3.681 124.211 120.500 0.050 0.000 2.543 1194 R HA 0.813 5.155 4.340 0.003 0.000 0.268 1194 R C -1.393 174.926 176.300 0.031 0.000 1.067 1194 R CA -0.485 55.606 56.100 -0.015 0.000 1.142 1194 R CB 0.930 31.149 30.300 -0.135 0.000 1.110 1194 R HN 0.803 nan 8.270 nan 0.000 0.549 1195 L N 2.130 123.365 121.223 0.020 0.000 2.541 1195 L HA 0.282 4.623 4.340 0.003 0.000 0.266 1195 L C -0.997 175.887 176.870 0.023 0.000 0.966 1195 L CA -0.404 54.454 54.840 0.030 0.000 0.871 1195 L CB 1.995 44.072 42.059 0.030 0.000 1.232 1195 L HN 0.712 nan 8.230 nan 0.000 0.408 1196 E N 3.305 123.520 120.200 0.025 0.000 2.313 1196 E HA 0.561 4.913 4.350 0.003 0.000 0.276 1196 E C -1.258 175.350 176.600 0.014 0.000 1.031 1196 E CA -0.389 56.024 56.400 0.021 0.000 0.857 1196 E CB 1.227 30.943 29.700 0.027 0.000 1.040 1196 E HN 0.410 nan 8.360 nan 0.000 0.408 1197 L N 2.995 124.224 121.223 0.009 0.000 2.333 1197 L HA 0.318 4.660 4.340 0.003 0.000 0.269 1197 L C -0.759 176.111 176.870 0.000 0.000 1.010 1197 L CA -1.194 53.646 54.840 0.000 0.000 0.818 1197 L CB 1.708 43.762 42.059 -0.008 0.000 1.306 1197 L HN 0.574 nan 8.230 nan 0.000 0.430 1198 D N 0.953 121.350 120.400 -0.005 0.000 2.339 1198 D HA 0.080 4.722 4.640 0.003 0.000 0.241 1198 D C 0.754 177.050 176.300 -0.007 0.000 1.183 1198 D CA -0.643 53.354 54.000 -0.005 0.000 0.859 1198 D CB 1.191 41.986 40.800 -0.008 0.000 1.067 1198 D HN 0.290 nan 8.370 nan 0.000 0.484 1199 R N 2.758 123.256 120.500 -0.003 0.000 2.261 1199 R HA -0.145 4.197 4.340 0.003 0.000 0.236 1199 R C 1.609 177.906 176.300 -0.005 0.000 1.141 1199 R CA 1.562 57.661 56.100 -0.002 0.000 1.001 1199 R CB -0.593 29.708 30.300 0.001 0.000 0.866 1199 R HN 0.582 nan 8.270 nan 0.000 0.468 1200 A N -0.089 122.727 122.820 -0.007 0.000 1.832 1200 A HA 0.062 4.384 4.320 0.003 0.000 0.214 1200 A C 2.036 179.613 177.584 -0.012 0.000 1.200 1200 A CA 1.364 53.395 52.037 -0.009 0.000 0.610 1200 A CB -0.917 18.077 19.000 -0.010 0.000 0.842 1200 A HN 0.381 nan 8.150 nan 0.000 0.444 1201 A N -1.204 121.606 122.820 -0.016 0.000 2.291 1201 A HA 0.335 4.656 4.320 0.003 0.000 0.220 1201 A C 1.407 178.979 177.584 -0.021 0.000 1.262 1201 A CA 0.384 52.409 52.037 -0.020 0.000 0.867 1201 A CB -0.393 18.591 19.000 -0.027 0.000 0.888 1201 A HN 0.405 nan 8.150 nan 0.000 0.487 1202 M N -0.719 118.870 119.600 -0.018 0.000 2.495 1202 M HA 0.139 4.620 4.480 0.003 0.000 0.237 1202 M C 0.703 176.994 176.300 -0.015 0.000 1.131 1202 M CA 0.485 55.773 55.300 -0.020 0.000 1.032 1202 M CB -0.946 31.642 32.600 -0.020 0.000 1.513 1202 M HN 0.302 nan 8.290 nan 0.000 0.488 1203 N N 1.002 119.697 118.700 -0.009 0.000 2.428 1203 N HA -0.031 4.710 4.740 0.003 0.000 0.181 1203 N C 1.158 176.669 175.510 0.001 0.000 1.028 1203 N CA 0.877 53.925 53.050 -0.005 0.000 0.877 1203 N CB 0.042 38.528 38.487 -0.002 0.000 1.064 1203 N HN 0.138 nan 8.380 nan 0.000 0.434 1204 D N 1.020 121.426 120.400 0.010 0.000 2.087 1204 D HA 0.010 4.652 4.640 0.003 0.000 0.201 1204 D C 0.126 176.453 176.300 0.045 0.000 0.980 1204 D CA 1.258 55.280 54.000 0.037 0.000 0.849 1204 D CB -0.059 40.763 40.800 0.037 0.000 1.001 1204 D HN 0.105 nan 8.370 nan 0.000 0.452 1205 K N 1.463 121.881 120.400 0.030 0.000 2.368 1205 K HA 0.134 4.455 4.320 0.003 0.000 0.282 1205 K C -0.816 175.778 176.600 -0.011 0.000 1.035 1205 K CA -0.128 56.169 56.287 0.017 0.000 0.973 1205 K CB 0.608 33.107 32.500 -0.002 0.000 0.957 1205 K HN -0.005 nan 8.250 nan 0.000 0.474 1206 D N 3.381 123.768 120.400 -0.021 0.000 2.338 1206 D HA 0.235 4.877 4.640 0.003 0.000 0.255 1206 D C -0.568 175.707 176.300 -0.042 0.000 1.237 1206 D CA 0.243 54.224 54.000 -0.032 0.000 0.883 1206 D CB 0.266 41.043 40.800 -0.039 0.000 1.087 1206 D HN 0.232 nan 8.370 nan 0.000 0.485 1207 L N 1.600 122.798 121.223 -0.043 0.000 2.505 1207 L HA 0.419 4.761 4.340 0.003 0.000 0.259 1207 L C -0.264 176.573 176.870 -0.055 0.000 0.952 1207 L CA -0.747 54.059 54.840 -0.057 0.000 0.840 1207 L CB 2.498 44.519 42.059 -0.063 0.000 1.358 1207 L HN 0.291 nan 8.230 nan 0.000 0.409 1208 T N -1.708 112.804 114.554 -0.070 0.000 2.908 1208 T HA 0.413 4.764 4.350 0.003 0.000 0.290 1208 T C 1.064 175.692 174.700 -0.120 0.000 1.034 1208 T CA -0.932 61.127 62.100 -0.068 0.000 1.010 1208 T CB 1.966 70.806 68.868 -0.046 0.000 1.068 1208 T HN 0.397 nan 8.240 nan 0.000 0.481 1209 M N 1.513 121.045 119.600 -0.113 0.000 2.088 1209 M HA -0.079 4.402 4.480 0.003 0.000 0.256 1209 M C 2.558 178.568 176.300 -0.483 0.000 1.071 1209 M CA 2.445 57.612 55.300 -0.222 0.000 1.097 1209 M CB -1.891 30.665 32.600 -0.073 0.000 1.315 1209 M HN 1.007 nan 8.290 nan 0.000 0.406 1210 G N -0.573 108.035 108.800 -0.321 0.000 2.586 1210 G HA2 -0.315 3.647 3.960 0.003 0.000 0.218 1210 G HA3 -0.315 3.647 3.960 0.003 0.000 0.218 1210 G C 1.385 176.062 174.900 -0.370 0.000 1.216 1210 G CA 1.209 46.115 45.100 -0.323 0.000 0.786 1210 G HN 0.574 nan 8.290 nan 0.000 0.583 1211 Q N -0.328 119.346 119.800 -0.211 0.000 2.217 1211 Q HA -0.155 4.186 4.340 0.003 0.000 0.209 1211 Q C 2.752 178.616 176.000 -0.227 0.000 0.988 1211 Q CA 1.698 57.398 55.803 -0.173 0.000 0.878 1211 Q CB -0.166 28.502 28.738 -0.117 0.000 0.909 1211 Q HN 0.405 nan 8.270 nan 0.000 0.424 1212 V N -0.425 119.311 119.914 -0.297 0.000 2.221 1212 V HA -0.214 3.907 4.120 0.003 0.000 0.242 1212 V C 2.289 178.155 176.094 -0.381 0.000 1.041 1212 V CA 1.962 64.085 62.300 -0.294 0.000 0.995 1212 V CB -1.438 30.216 31.823 -0.281 0.000 0.635 1212 V HN 0.616 nan 8.190 nan 0.000 0.448 1213 G N -0.427 107.941 108.800 -0.719 0.000 2.556 1213 G HA2 -0.389 3.573 3.960 0.003 0.000 0.220 1213 G HA3 -0.389 3.573 3.960 0.003 0.000 0.220 1213 G C 1.508 176.152 174.900 -0.428 0.000 1.156 1213 G CA 1.488 46.039 45.100 -0.914 0.000 0.766 1213 G HN 0.529 nan 8.290 nan 0.000 0.583 1214 E N 0.377 120.371 120.200 -0.343 0.000 2.031 1214 E HA -0.102 4.250 4.350 0.003 0.000 0.193 1214 E C 2.528 179.084 176.600 -0.075 0.000 0.994 1214 E CA 1.067 57.402 56.400 -0.109 0.000 0.800 1214 E CB -0.311 29.348 29.700 -0.069 0.000 0.752 1214 E HN 0.281 nan 8.360 nan 0.000 0.447 1215 R N -0.007 120.427 120.500 -0.110 0.000 2.241 1215 R HA 0.021 4.362 4.340 0.003 0.000 0.224 1215 R C 2.005 178.261 176.300 -0.073 0.000 1.101 1215 R CA 0.951 56.998 56.100 -0.088 0.000 0.995 1215 R CB -0.390 29.849 30.300 -0.102 0.000 0.870 1215 R HN 0.332 nan 8.270 nan 0.000 0.463 1216 I N -0.228 120.316 120.570 -0.042 0.000 2.141 1216 I HA -0.232 3.940 4.170 0.003 0.000 0.236 1216 I C 2.381 178.618 176.117 0.199 0.000 1.071 1216 I CA 1.227 62.576 61.300 0.081 0.000 1.345 1216 I CB -0.477 37.600 38.000 0.128 0.000 1.066 1216 I HN 0.127 nan 8.210 nan 0.000 0.406 1217 K N 1.113 121.626 120.400 0.189 0.000 2.044 1217 K HA -0.259 4.062 4.320 0.003 0.000 0.210 1217 K C 2.142 178.837 176.600 0.158 0.000 1.049 1217 K CA 1.783 58.208 56.287 0.231 0.000 0.927 1217 K CB -0.166 32.426 32.500 0.153 0.000 0.713 1217 K HN 0.347 nan 8.250 nan 0.000 0.443 1218 Q N -0.446 119.389 119.800 0.057 0.000 2.376 1218 Q HA -0.138 4.203 4.340 0.003 0.000 0.211 1218 Q C 1.551 177.521 176.000 -0.050 0.000 0.986 1218 Q CA 1.741 57.548 55.803 0.006 0.000 0.886 1218 Q CB 0.046 28.772 28.738 -0.020 0.000 0.927 1218 Q HN 0.443 nan 8.270 nan 0.000 0.457 1219 T N -0.626 113.848 114.554 -0.133 0.000 2.901 1219 T HA -0.013 4.339 4.350 0.003 0.000 0.252 1219 T C 1.152 175.628 174.700 -0.374 0.000 1.035 1219 T CA 0.830 62.709 62.100 -0.367 0.000 1.142 1219 T CB -0.098 68.319 68.868 -0.753 0.000 0.869 1219 T HN 0.228 nan 8.240 nan 0.000 0.442 1220 F N 1.114 121.072 119.950 0.013 0.000 2.446 1220 F HA 0.425 4.953 4.527 0.003 0.000 0.292 1220 F C 1.115 176.929 175.800 0.024 0.000 1.096 1220 F CA -0.390 57.622 58.000 0.020 0.000 1.438 1220 F CB -0.336 38.680 39.000 0.027 0.000 1.107 1220 F HN 0.001 nan 8.300 nan 0.000 0.546 1221 K N -0.493 120.039 120.400 0.220 0.000 4.614 1221 K HA -0.257 4.065 4.320 0.003 0.000 0.606 1221 K C -0.454 176.232 176.600 0.143 0.000 1.844 1221 K CA 0.596 56.967 56.287 0.140 0.000 1.063 1221 K CB -1.242 31.314 32.500 0.095 0.000 1.763 1221 K HN 0.091 nan 8.250 nan 0.000 0.391 1222 N N 2.474 121.238 118.700 0.106 0.000 3.254 1222 N HA 0.019 4.761 4.740 0.003 0.000 0.308 1222 N C -1.008 174.556 175.510 0.090 0.000 1.281 1222 N CA 0.330 53.437 53.050 0.095 0.000 1.212 1222 N CB -0.154 38.380 38.487 0.078 0.000 1.478 1222 N HN 0.343 nan 8.380 nan 0.000 0.548 1223 D N 0.892 121.348 120.400 0.094 0.000 3.216 1223 D HA 0.097 4.739 4.640 0.003 0.000 0.348 1223 D C -0.425 175.883 176.300 0.013 0.000 1.407 1223 D CA -0.326 53.713 54.000 0.065 0.000 0.744 1223 D CB -0.416 40.428 40.800 0.072 0.000 1.264 1223 D HN 0.254 nan 8.370 nan 0.000 0.543 1224 L N -2.093 119.143 121.223 0.021 0.000 3.882 1224 L HA 0.447 4.789 4.340 0.003 0.000 0.266 1224 L C -1.912 174.992 176.870 0.056 0.000 1.003 1224 L CA -0.973 53.857 54.840 -0.016 0.000 1.166 1224 L CB 0.644 42.576 42.059 -0.213 0.000 1.952 1224 L HN -0.147 nan 8.230 nan 0.000 0.567 1225 F N 4.458 124.384 119.950 -0.040 0.000 2.506 1225 F HA 0.626 5.155 4.527 0.003 0.000 0.351 1225 F C -0.077 175.714 175.800 -0.016 0.000 1.136 1225 F CA 0.741 58.723 58.000 -0.029 0.000 1.298 1225 F CB 1.297 40.261 39.000 -0.060 0.000 1.145 1225 F HN 0.322 nan 8.300 nan 0.000 0.593 1226 V N 7.024 126.686 119.914 -0.420 0.000 2.610 1226 V HA 0.369 4.491 4.120 0.003 0.000 0.298 1226 V C -0.216 175.728 176.094 -0.250 0.000 1.067 1226 V CA -0.794 61.430 62.300 -0.127 0.000 0.894 1226 V CB 1.323 33.214 31.823 0.115 0.000 1.015 1226 V HN 0.588 nan 8.190 nan 0.000 0.432 1227 I N 3.249 123.752 120.570 -0.112 0.000 3.217 1227 I HA 0.901 5.073 4.170 0.003 0.000 0.308 1227 I C -0.489 175.679 176.117 0.084 0.000 1.091 1227 I CA -0.734 60.387 61.300 -0.298 0.000 1.013 1227 I CB 2.097 39.974 38.000 -0.205 0.000 1.250 1227 I HN 0.841 nan 8.210 nan 0.000 0.496 1228 W N -0.187 121.090 121.300 -0.038 0.000 3.002 1228 W HA 0.631 5.293 4.660 0.003 0.000 0.346 1228 W C -1.600 174.916 176.519 -0.005 0.000 1.158 1228 W CA -0.677 56.655 57.345 -0.022 0.000 1.150 1228 W CB -0.060 29.386 29.460 -0.023 0.000 1.446 1228 W HN 0.290 nan 8.180 nan 0.000 0.564 1229 S N -0.064 115.800 115.700 0.273 0.000 2.690 1229 S HA 0.490 4.961 4.470 0.003 0.000 0.285 1229 S C -0.952 173.791 174.600 0.238 0.000 1.135 1229 S CA -0.653 57.645 58.200 0.163 0.000 1.020 1229 S CB 1.274 64.532 63.200 0.097 0.000 1.159 1229 S HN 0.502 nan 8.310 nan 0.000 0.534 1230 E N -0.255 120.029 120.200 0.140 0.000 2.212 1230 E HA 0.218 4.569 4.350 0.003 0.000 0.270 1230 E C -0.272 176.377 176.600 0.082 0.000 0.956 1230 E CA -0.627 55.849 56.400 0.126 0.000 0.825 1230 E CB 0.883 30.638 29.700 0.091 0.000 1.167 1230 E HN 0.421 nan 8.360 nan 0.000 0.400 1231 D N 2.137 122.576 120.400 0.065 0.000 2.182 1231 D HA -0.177 4.465 4.640 0.003 0.000 0.201 1231 D C 1.042 177.361 176.300 0.031 0.000 0.986 1231 D CA 1.034 55.056 54.000 0.037 0.000 0.847 1231 D CB -0.053 40.761 40.800 0.024 0.000 0.942 1231 D HN 0.369 nan 8.370 nan 0.000 0.467 1232 N N 0.972 119.692 118.700 0.033 0.000 2.149 1232 N HA -0.103 4.639 4.740 0.003 0.000 0.188 1232 N C 0.174 175.698 175.510 0.024 0.000 1.019 1232 N CA 0.753 53.818 53.050 0.026 0.000 0.857 1232 N CB -0.404 38.099 38.487 0.026 0.000 0.997 1232 N HN 0.250 nan 8.380 nan 0.000 0.426 1233 D N -0.025 120.393 120.400 0.030 0.000 2.364 1233 D HA -0.045 4.597 4.640 0.003 0.000 0.236 1233 D C 1.249 177.561 176.300 0.021 0.000 1.221 1233 D CA 0.211 54.227 54.000 0.026 0.000 0.891 1233 D CB 0.628 41.448 40.800 0.032 0.000 1.190 1233 D HN 0.153 nan 8.370 nan 0.000 0.449 1234 E N 0.081 120.291 120.200 0.017 0.000 2.170 1234 E HA -0.059 4.292 4.350 0.003 0.000 0.191 1234 E C 0.036 176.645 176.600 0.015 0.000 0.981 1234 E CA 0.479 56.888 56.400 0.014 0.000 0.830 1234 E CB 0.332 30.039 29.700 0.011 0.000 0.775 1234 E HN 0.151 nan 8.360 nan 0.000 0.470 1235 K N 1.093 121.503 120.400 0.018 0.000 2.394 1235 K HA 0.307 4.629 4.320 0.003 0.000 0.260 1235 K C -1.149 175.467 176.600 0.026 0.000 0.967 1235 K CA -0.355 55.943 56.287 0.019 0.000 0.855 1235 K CB 0.954 33.462 32.500 0.015 0.000 1.101 1235 K HN -0.019 nan 8.250 nan 0.000 0.433 1236 L N 6.726 127.965 121.223 0.026 0.000 2.290 1236 L HA 0.494 4.835 4.340 0.003 0.000 0.284 1236 L C -0.365 176.527 176.870 0.037 0.000 1.078 1236 L CA -0.472 54.389 54.840 0.036 0.000 0.815 1236 L CB 0.337 42.409 42.059 0.022 0.000 1.162 1236 L HN 0.531 nan 8.230 nan 0.000 0.435 1237 I N 3.257 123.863 120.570 0.060 0.000 2.918 1237 I HA 0.519 4.691 4.170 0.003 0.000 0.301 1237 I C -0.980 175.197 176.117 0.100 0.000 1.312 1237 I CA -0.761 60.572 61.300 0.054 0.000 1.007 1237 I CB 2.505 40.522 38.000 0.027 0.000 1.281 1237 I HN 0.229 nan 8.210 nan 0.000 0.440 1238 I N 2.653 123.270 120.570 0.078 0.000 2.569 1238 I HA 0.609 4.781 4.170 0.003 0.000 0.296 1238 I C -0.486 175.673 176.117 0.069 0.000 1.028 1238 I CA -0.745 60.623 61.300 0.115 0.000 1.082 1238 I CB 1.909 39.960 38.000 0.084 0.000 1.264 1238 I HN 0.645 nan 8.210 nan 0.000 0.429 1239 R N 3.694 124.243 120.500 0.081 0.000 2.621 1239 R HA 0.808 5.149 4.340 0.003 0.000 0.284 1239 R C -1.508 174.826 176.300 0.056 0.000 0.998 1239 R CA -0.488 55.635 56.100 0.038 0.000 0.895 1239 R CB 2.237 32.541 30.300 0.007 0.000 1.195 1239 R HN 0.695 nan 8.270 nan 0.000 0.450 1240 C N 1.090 120.415 119.300 0.042 0.000 3.090 1240 C HA 0.665 5.126 4.460 0.003 0.000 0.305 1240 C C -0.703 174.309 174.990 0.036 0.000 1.292 1240 C CA -1.107 57.930 59.018 0.032 0.000 1.482 1240 C CB 2.183 29.914 27.740 -0.015 0.000 1.897 1240 C HN 0.806 nan 8.230 nan 0.000 0.469 1241 R N 0.893 121.413 120.500 0.034 0.000 2.542 1241 R HA 0.426 4.768 4.340 0.003 0.000 0.284 1241 R C -1.063 175.249 176.300 0.020 0.000 1.167 1241 R CA -0.406 55.718 56.100 0.040 0.000 1.000 1241 R CB 2.018 32.345 30.300 0.044 0.000 1.229 1241 R HN 0.635 nan 8.270 nan 0.000 0.416 1242 V N 3.502 123.424 119.914 0.013 0.000 2.928 1242 V HA 0.133 4.255 4.120 0.003 0.000 0.307 1242 V C -0.225 175.879 176.094 0.018 0.000 1.105 1242 V CA 0.757 63.057 62.300 0.000 0.000 1.223 1242 V CB 1.200 33.033 31.823 0.017 0.000 0.930 1242 V HN 0.497 nan 8.190 nan 0.000 0.499 1243 V N 5.823 125.747 119.914 0.017 0.000 2.950 1243 V HA 0.600 4.722 4.120 0.003 0.000 0.295 1243 V C -0.657 175.456 176.094 0.031 0.000 1.297 1243 V CA -0.866 61.449 62.300 0.026 0.000 0.962 1243 V CB 2.249 34.098 31.823 0.043 0.000 1.081 1243 V HN 0.921 nan 8.190 nan 0.000 0.432 1244 R N 4.008 124.526 120.500 0.030 0.000 2.672 1244 R HA 0.455 4.796 4.340 0.003 0.000 0.228 1244 R C -2.943 173.370 176.300 0.022 0.000 1.501 1244 R CA -0.897 55.216 56.100 0.022 0.000 1.514 1244 R CB 0.313 30.622 30.300 0.016 0.000 1.489 1244 R HN 0.539 nan 8.270 nan 0.000 0.747 1245 P HA 0.200 nan 4.420 nan 0.000 0.265 1245 P C -0.795 176.516 177.300 0.018 0.000 1.222 1245 P CA 0.191 63.305 63.100 0.023 0.000 0.767 1245 P CB 0.790 32.505 31.700 0.026 0.000 0.801 1254 A N 2.936 125.767 122.820 0.019 0.000 2.722 1254 A HA -0.427 3.894 4.320 0.003 0.000 0.331 1254 A C 1.271 178.867 177.584 0.021 0.000 1.052 1254 A CA 3.752 55.809 52.037 0.033 0.000 1.262 1254 A CB -1.675 17.348 19.000 0.038 0.000 0.594 1254 A HN 1.215 nan 8.150 nan 0.000 0.441 1255 E N -1.285 118.917 120.200 0.003 0.000 2.885 1255 E HA -0.280 4.071 4.350 0.003 0.000 0.267 1255 E C -0.014 176.568 176.600 -0.029 0.000 1.100 1255 E CA 1.470 57.836 56.400 -0.057 0.000 0.779 1255 E CB -2.145 27.494 29.700 -0.102 0.000 1.383 1255 E HN 0.706 nan 8.360 nan 0.000 0.443 1256 E N 0.156 120.387 120.200 0.052 0.000 2.238 1256 E HA -0.005 4.346 4.350 0.003 0.000 0.264 1256 E C -0.004 176.622 176.600 0.043 0.000 1.136 1256 E CA 0.821 57.270 56.400 0.083 0.000 0.929 1256 E CB 0.498 30.294 29.700 0.161 0.000 1.010 1256 E HN 0.377 nan 8.360 nan 0.000 0.440 1257 D N 0.924 121.288 120.400 -0.059 0.000 1.201 1257 D HA -0.115 4.527 4.640 0.003 0.000 0.865 1257 D C 1.081 177.343 176.300 -0.062 0.000 0.382 1257 D CA 0.068 53.926 54.000 -0.237 0.000 1.270 1257 D CB -0.522 40.100 40.800 -0.296 0.000 1.703 1257 D HN 0.402 nan 8.370 nan 0.000 0.358 1258 H N 1.130 120.119 119.070 -0.136 0.000 2.267 1258 H HA 0.050 4.608 4.556 0.003 0.000 0.297 1258 H C 2.220 177.505 175.328 -0.072 0.000 1.080 1258 H CA 1.987 57.978 56.048 -0.095 0.000 1.278 1258 H CB -0.396 29.332 29.762 -0.056 0.000 1.365 1258 H HN 0.201 nan 8.280 nan 0.000 0.489 1259 M N -0.263 119.391 119.600 0.090 0.000 2.082 1259 M HA -0.176 4.306 4.480 0.003 0.000 0.258 1259 M C 2.338 178.644 176.300 0.011 0.000 1.069 1259 M CA 1.120 56.445 55.300 0.042 0.000 1.102 1259 M CB -0.282 32.342 32.600 0.040 0.000 1.336 1259 M HN 0.227 nan 8.290 nan 0.000 0.404 1260 L N 0.566 121.782 121.223 -0.012 0.000 2.211 1260 L HA -0.298 4.043 4.340 0.003 0.000 0.216 1260 L C 2.057 178.907 176.870 -0.034 0.000 1.092 1260 L CA 1.968 56.790 54.840 -0.031 0.000 0.767 1260 L CB -0.782 41.232 42.059 -0.076 0.000 0.894 1260 L HN 0.396 nan 8.230 nan 0.000 0.437 1261 K N 0.111 120.483 120.400 -0.047 0.000 2.103 1261 K HA -0.160 4.162 4.320 0.003 0.000 0.204 1261 K C 1.803 178.394 176.600 -0.015 0.000 1.052 1261 K CA 1.069 57.328 56.287 -0.047 0.000 0.945 1261 K CB 0.073 32.520 32.500 -0.088 0.000 0.722 1261 K HN 0.277 nan 8.250 nan 0.000 0.443 1262 K N 0.263 120.663 120.400 -0.001 0.000 2.525 1262 K HA 0.040 4.362 4.320 0.003 0.000 0.192 1262 K C 1.381 178.010 176.600 0.050 0.000 1.029 1262 K CA 0.229 56.528 56.287 0.020 0.000 1.029 1262 K CB 0.223 32.737 32.500 0.023 0.000 0.814 1262 K HN 0.164 nan 8.250 nan 0.000 0.503 1263 I N 0.283 120.884 120.570 0.051 0.000 2.628 1263 I HA -0.161 4.010 4.170 0.003 0.000 0.255 1263 I C 2.108 178.286 176.117 0.102 0.000 1.119 1263 I CA 0.641 61.999 61.300 0.096 0.000 1.448 1263 I CB 0.184 38.211 38.000 0.044 0.000 1.133 1263 I HN 0.100 nan 8.210 nan 0.000 0.438 1264 E N 0.719 120.951 120.200 0.054 0.000 2.338 1264 E HA -0.212 4.139 4.350 0.003 0.000 0.197 1264 E C 1.643 178.272 176.600 0.047 0.000 1.007 1264 E CA 1.296 57.727 56.400 0.051 0.000 0.849 1264 E CB -0.301 29.416 29.700 0.028 0.000 0.774 1264 E HN 0.322 nan 8.360 nan 0.000 0.506 1265 N N -0.077 118.648 118.700 0.040 0.000 2.148 1265 N HA -0.052 4.690 4.740 0.003 0.000 0.186 1265 N C 1.429 176.964 175.510 0.042 0.000 1.031 1265 N CA 1.952 55.021 53.050 0.031 0.000 0.848 1265 N CB -0.459 38.038 38.487 0.017 0.000 1.005 1265 N HN 0.188 nan 8.380 nan 0.000 0.427 1266 T N 0.877 115.467 114.554 0.060 0.000 2.759 1266 T HA -0.099 4.252 4.350 0.003 0.000 0.269 1266 T C 1.860 176.599 174.700 0.066 0.000 1.042 1266 T CA 0.920 63.057 62.100 0.061 0.000 1.140 1266 T CB -0.180 68.739 68.868 0.085 0.000 0.864 1266 T HN 0.246 nan 8.240 nan 0.000 0.455 1267 M N 0.102 119.771 119.600 0.115 0.000 2.267 1267 M HA -0.047 4.434 4.480 0.003 0.000 0.263 1267 M C 1.854 178.188 176.300 0.056 0.000 1.063 1267 M CA 1.400 56.774 55.300 0.124 0.000 1.090 1267 M CB -0.383 32.313 32.600 0.161 0.000 1.392 1267 M HN 0.303 nan 8.290 nan 0.000 0.422 1268 L N -0.954 120.293 121.223 0.040 0.000 2.194 1268 L HA -0.019 4.323 4.340 0.003 0.000 0.197 1268 L C 0.680 177.559 176.870 0.014 0.000 1.106 1268 L CA 0.530 55.383 54.840 0.021 0.000 0.785 1268 L CB -0.086 41.985 42.059 0.020 0.000 0.960 1268 L HN 0.108 nan 8.230 nan 0.000 0.465 1269 E N 1.719 121.930 120.200 0.018 0.000 1.932 1269 E HA 0.151 4.503 4.350 0.003 0.000 0.259 1269 E C -0.665 175.945 176.600 0.017 0.000 1.099 1269 E CA 0.027 56.439 56.400 0.020 0.000 0.970 1269 E CB 0.337 30.048 29.700 0.017 0.000 1.143 1269 E HN 0.304 nan 8.360 nan 0.000 0.441 1270 N N 1.438 120.148 118.700 0.016 0.000 2.542 1270 N HA -0.037 4.705 4.740 0.003 0.000 0.218 1270 N C -1.022 174.475 175.510 -0.023 0.000 1.607 1270 N CA -0.001 53.050 53.050 0.002 0.000 3.190 1270 N CB 0.244 38.725 38.487 -0.009 0.000 1.504 1270 N HN 0.299 nan 8.380 nan 0.000 1.106 1271 I N 2.148 122.702 120.570 -0.027 0.000 2.354 1271 I HA 0.306 4.477 4.170 0.003 0.000 0.286 1271 I C 0.313 176.385 176.117 -0.074 0.000 1.007 1271 I CA 0.133 61.396 61.300 -0.062 0.000 1.167 1271 I CB 1.031 38.995 38.000 -0.059 0.000 1.320 1271 I HN -0.173 nan 8.210 nan 0.000 0.458 1272 T N 7.095 121.601 114.554 -0.080 0.000 2.889 1272 T HA 0.363 4.714 4.350 0.003 0.000 0.291 1272 T C 1.101 175.720 174.700 -0.135 0.000 0.995 1272 T CA -0.131 61.893 62.100 -0.127 0.000 1.092 1272 T CB 1.878 70.713 68.868 -0.056 0.000 0.954 1272 T HN 0.306 nan 8.240 nan 0.000 0.506 1273 L N 1.823 122.943 121.223 -0.172 0.000 2.577 1273 L HA 0.401 4.743 4.340 0.003 0.000 0.225 1273 L C 0.897 177.697 176.870 -0.116 0.000 1.053 1273 L CA 0.551 55.309 54.840 -0.136 0.000 0.866 1273 L CB 0.199 42.175 42.059 -0.137 0.000 1.132 1273 L HN 0.663 nan 8.230 nan 0.000 0.486 1274 R N -1.708 118.716 120.500 -0.126 0.000 2.907 1274 R HA 0.534 4.876 4.340 0.003 0.000 0.246 1274 R C -0.540 175.715 176.300 -0.075 0.000 1.082 1274 R CA -0.274 55.775 56.100 -0.085 0.000 1.003 1274 R CB 0.258 30.514 30.300 -0.073 0.000 1.261 1274 R HN 0.065 nan 8.270 nan 0.000 0.474 1275 G N 0.588 109.371 108.800 -0.029 0.000 2.655 1275 G HA2 -0.022 3.939 3.960 0.003 0.000 0.680 1275 G HA3 -0.022 3.939 3.960 0.003 0.000 0.680 1275 G C -1.353 173.596 174.900 0.082 0.000 1.302 1275 G CA -0.468 44.641 45.100 0.015 0.000 0.872 1275 G HN 0.597 nan 8.290 nan 0.000 0.540 1276 V N 1.653 121.628 119.914 0.102 0.000 2.472 1276 V HA 0.493 4.615 4.120 0.003 0.000 0.290 1276 V C 1.086 177.252 176.094 0.120 0.000 1.037 1276 V CA 0.127 62.484 62.300 0.094 0.000 0.908 1276 V CB 1.354 33.194 31.823 0.029 0.000 0.985 1276 V HN 1.085 nan 8.190 nan 0.000 0.454 1277 E N 4.601 124.812 120.200 0.017 0.000 2.442 1277 E HA -0.007 4.344 4.350 0.003 0.000 0.260 1277 E C 0.304 176.757 176.600 -0.246 0.000 1.148 1277 E CA 0.125 56.319 56.400 -0.343 0.000 0.976 1277 E CB 0.046 29.595 29.700 -0.253 0.000 0.967 1277 E HN 0.668 nan 8.360 nan 0.000 0.454 1278 N N -1.622 116.892 118.700 -0.311 0.000 2.951 1278 N HA -0.199 4.543 4.740 0.003 0.000 0.218 1278 N C -0.598 174.851 175.510 -0.102 0.000 0.858 1278 N CA 1.515 54.466 53.050 -0.165 0.000 1.050 1278 N CB -1.471 36.951 38.487 -0.109 0.000 1.012 1278 N HN 0.457 nan 8.380 nan 0.000 0.611 1279 I N 1.358 121.882 120.570 -0.077 0.000 2.396 1279 I HA 0.249 4.420 4.170 0.003 0.000 0.292 1279 I C 0.976 177.111 176.117 0.030 0.000 0.999 1279 I CA 0.123 61.417 61.300 -0.010 0.000 1.310 1279 I CB 1.434 39.444 38.000 0.017 0.000 1.404 1279 I HN 0.029 nan 8.210 nan 0.000 0.496 1280 E N 3.427 123.644 120.200 0.028 0.000 2.989 1280 E HA 0.450 4.802 4.350 0.003 0.000 0.182 1280 E C -0.607 176.024 176.600 0.052 0.000 0.730 1280 E CA -0.755 55.670 56.400 0.041 0.000 1.204 1280 E CB 0.237 29.949 29.700 0.020 0.000 1.863 1280 E HN 0.442 nan 8.360 nan 0.000 0.366 1281 R N 0.821 121.346 120.500 0.040 0.000 2.486 1281 R HA 0.076 4.417 4.340 0.003 0.000 0.304 1281 R C -0.934 175.420 176.300 0.091 0.000 0.913 1281 R CA 0.042 56.181 56.100 0.064 0.000 1.124 1281 R CB -0.511 29.807 30.300 0.029 0.000 0.891 1281 R HN 0.014 nan 8.270 nan 0.000 0.410 1282 V N 5.589 125.590 119.914 0.145 0.000 2.384 1282 V HA 0.265 4.386 4.120 0.003 0.000 0.287 1282 V C -0.082 176.038 176.094 0.042 0.000 1.020 1282 V CA -0.803 61.538 62.300 0.068 0.000 0.850 1282 V CB 1.787 33.627 31.823 0.028 0.000 0.987 1282 V HN 0.636 nan 8.190 nan 0.000 0.436 1283 V N 5.640 125.565 119.914 0.017 0.000 2.472 1283 V HA 0.424 4.545 4.120 0.003 0.000 0.290 1283 V C 0.418 176.498 176.094 -0.024 0.000 1.037 1283 V CA -0.671 61.634 62.300 0.009 0.000 0.908 1283 V CB 1.878 33.716 31.823 0.025 0.000 0.985 1283 V HN 0.747 nan 8.190 nan 0.000 0.454 1284 M N 4.438 124.031 119.600 -0.013 0.000 3.654 1284 M HA 0.330 4.812 4.480 0.003 0.000 0.212 1284 M C -0.351 176.058 176.300 0.181 0.000 1.354 1284 M CA 0.012 55.339 55.300 0.044 0.000 1.564 1284 M CB -0.079 32.505 32.600 -0.027 0.000 1.056 1284 M HN 0.676 nan 8.290 nan 0.000 0.608 1285 M N 1.364 120.991 119.600 0.045 0.000 2.249 1285 M HA 0.183 4.665 4.480 0.003 0.000 0.351 1285 M C 0.156 176.390 176.300 -0.109 0.000 1.180 1285 M CA 0.324 55.598 55.300 -0.043 0.000 1.127 1285 M CB 0.827 33.325 32.600 -0.171 0.000 1.546 1285 M HN 0.161 nan 8.290 nan 0.000 0.461 1286 K N 3.572 123.879 120.400 -0.156 0.000 2.354 1286 K HA 0.233 4.554 4.320 0.003 0.000 0.257 1286 K C -1.745 174.809 176.600 -0.077 0.000 1.062 1286 K CA -0.452 55.661 56.287 -0.290 0.000 0.971 1286 K CB 0.377 32.526 32.500 -0.585 0.000 1.305 1286 K HN 0.513 nan 8.250 nan 0.000 0.449 1287 Y N 1.387 121.659 120.300 -0.048 0.000 2.304 1287 Y HA 0.129 4.680 4.550 0.003 0.000 0.327 1287 Y C 0.977 176.847 175.900 -0.050 0.000 1.209 1287 Y CA -0.854 57.240 58.100 -0.010 0.000 1.299 1287 Y CB 0.589 39.099 38.460 0.082 0.000 1.249 1287 Y HN 0.545 nan 8.280 nan 0.000 0.519 1288 D N 1.396 121.866 120.400 0.118 0.000 2.387 1288 D HA 0.462 5.103 4.640 0.003 0.000 0.251 1288 D C -0.293 176.016 176.300 0.015 0.000 1.141 1288 D CA -0.272 53.745 54.000 0.028 0.000 0.987 1288 D CB 1.093 41.891 40.800 -0.003 0.000 1.116 1288 D HN 0.446 nan 8.370 nan 0.000 0.491 1289 R N 0.145 120.644 120.500 -0.002 0.000 2.664 1289 R HA 0.179 4.520 4.340 0.003 0.000 0.260 1289 R C -1.331 174.979 176.300 0.016 0.000 1.062 1289 R CA -0.650 55.444 56.100 -0.010 0.000 0.902 1289 R CB 1.267 31.553 30.300 -0.024 0.000 1.258 1289 R HN 0.221 nan 8.270 nan 0.000 0.465 1290 K N 2.481 122.903 120.400 0.037 0.000 2.183 1290 K HA 0.501 4.823 4.320 0.003 0.000 0.274 1290 K C -0.996 175.733 176.600 0.216 0.000 1.009 1290 K CA -0.628 55.733 56.287 0.124 0.000 0.888 1290 K CB 1.922 34.474 32.500 0.086 0.000 1.078 1290 K HN 0.247 nan 8.250 nan 0.000 0.459 1291 V N 4.144 124.178 119.914 0.200 0.000 2.760 1291 V HA 0.265 4.387 4.120 0.003 0.000 0.309 1291 V C -2.517 173.475 176.094 -0.169 0.000 1.077 1291 V CA -2.428 59.905 62.300 0.055 0.000 0.910 1291 V CB 1.826 33.648 31.823 -0.002 0.000 1.008 1291 V HN 0.662 nan 8.190 nan 0.000 0.424 1292 P HA 0.088 nan 4.420 nan 0.000 0.263 1292 P C -0.334 176.822 177.300 -0.240 0.000 1.195 1292 P CA 0.552 63.360 63.100 -0.487 0.000 0.762 1292 P CB 0.509 31.968 31.700 -0.402 0.000 0.799 1293 S N 4.471 120.047 115.700 -0.206 0.000 2.525 1293 S HA 0.327 4.799 4.470 0.003 0.000 0.278 1293 S C -1.333 173.205 174.600 -0.104 0.000 1.234 1293 S CA -1.847 56.283 58.200 -0.116 0.000 1.058 1293 S CB 0.189 63.342 63.200 -0.079 0.000 0.983 1293 S HN 0.229 nan 8.310 nan 0.000 0.495 1294 P HA -0.164 nan 4.420 nan 0.000 0.218 1294 P C 1.491 178.761 177.300 -0.050 0.000 1.150 1294 P CA 1.706 64.770 63.100 -0.061 0.000 0.841 1294 P CB -0.198 31.476 31.700 -0.043 0.000 0.784 1295 T N -5.913 108.615 114.554 -0.043 0.000 3.023 1295 T HA 0.217 4.569 4.350 0.003 0.000 0.266 1295 T C 1.583 176.267 174.700 -0.027 0.000 1.093 1295 T CA 1.415 63.499 62.100 -0.026 0.000 1.129 1295 T CB -0.252 68.607 68.868 -0.015 0.000 0.899 1295 T HN 0.262 nan 8.240 nan 0.000 0.491 1296 G N 0.398 109.166 108.800 -0.054 0.000 3.288 1296 G HA2 -0.097 3.864 3.960 0.003 0.000 0.195 1296 G HA3 -0.097 3.864 3.960 0.003 0.000 0.195 1296 G C -0.154 174.699 174.900 -0.077 0.000 1.093 1296 G CA -0.218 44.846 45.100 -0.059 0.000 0.852 1296 G HN 0.554 nan 8.290 nan 0.000 0.453 1297 E N -0.376 119.801 120.200 -0.039 0.000 2.428 1297 E HA 0.413 4.764 4.350 0.003 0.000 0.257 1297 E C -0.551 176.018 176.600 -0.050 0.000 1.197 1297 E CA -0.060 56.342 56.400 0.003 0.000 0.974 1297 E CB 0.303 30.018 29.700 0.025 0.000 0.976 1297 E HN 0.331 nan 8.360 nan 0.000 0.463 1298 Y N 0.873 121.172 120.300 -0.002 0.000 2.826 1298 Y HA 0.160 4.711 4.550 0.003 0.000 0.371 1298 Y C -0.401 175.493 175.900 -0.010 0.000 1.252 1298 Y CA -0.580 57.516 58.100 -0.007 0.000 1.813 1298 Y CB -0.004 38.454 38.460 -0.004 0.000 1.913 1298 Y HN 0.165 nan 8.280 nan 0.000 0.447 1299 V N 2.054 122.004 119.914 0.060 0.000 2.953 1299 V HA -0.198 3.924 4.120 0.003 0.000 0.304 1299 V C 0.380 176.506 176.094 0.053 0.000 1.138 1299 V CA 0.183 62.506 62.300 0.038 0.000 1.266 1299 V CB 0.333 32.156 31.823 -0.001 0.000 0.923 1299 V HN 0.441 nan 8.190 nan 0.000 0.505 1300 K N 3.737 124.157 120.400 0.033 0.000 2.267 1300 K HA 0.310 4.631 4.320 0.003 0.000 0.282 1300 K C -0.112 176.492 176.600 0.006 0.000 1.078 1300 K CA -0.185 56.116 56.287 0.023 0.000 0.903 1300 K CB 0.877 33.383 32.500 0.010 0.000 1.111 1300 K HN 0.710 nan 8.250 nan 0.000 0.475 1301 E N 5.173 125.377 120.200 0.006 0.000 2.134 1301 E HA 0.229 4.581 4.350 0.003 0.000 0.278 1301 E C -2.409 174.181 176.600 -0.017 0.000 0.959 1301 E CA -2.319 54.078 56.400 -0.006 0.000 0.783 1301 E CB 1.014 30.712 29.700 -0.003 0.000 1.095 1301 E HN 0.204 nan 8.360 nan 0.000 0.399 1302 P HA 0.170 nan 4.420 nan 0.000 0.288 1302 P C -1.523 175.724 177.300 -0.089 0.000 1.267 1302 P CA -0.284 62.771 63.100 -0.075 0.000 0.815 1302 P CB 0.908 32.538 31.700 -0.117 0.000 0.989 1303 E N 1.097 121.242 120.200 -0.091 0.000 2.340 1303 E HA 0.436 4.787 4.350 0.003 0.000 0.273 1303 E C -1.464 175.087 176.600 -0.081 0.000 0.891 1303 E CA -0.993 55.382 56.400 -0.042 0.000 0.757 1303 E CB 0.977 30.715 29.700 0.062 0.000 1.231 1303 E HN 0.239 nan 8.360 nan 0.000 0.439 1304 W N 1.854 123.184 121.300 0.049 0.000 2.287 1304 W HA 0.470 5.131 4.660 0.003 0.000 0.313 1304 W C -0.690 175.837 176.519 0.013 0.000 1.267 1304 W CA -0.327 57.021 57.345 0.006 0.000 1.201 1304 W CB 1.413 30.867 29.460 -0.008 0.000 1.196 1304 W HN 0.241 nan 8.180 nan 0.000 0.536 1305 V N 5.098 125.104 119.914 0.154 0.000 2.760 1305 V HA 0.404 4.526 4.120 0.003 0.000 0.309 1305 V C -0.267 175.766 176.094 -0.102 0.000 1.077 1305 V CA -1.243 61.054 62.300 -0.005 0.000 0.910 1305 V CB 1.658 33.344 31.823 -0.228 0.000 1.008 1305 V HN 0.296 nan 8.190 nan 0.000 0.424 1306 L N 3.623 124.794 121.223 -0.087 0.000 2.289 1306 L HA 0.618 4.959 4.340 0.003 0.000 0.285 1306 L C 0.009 176.821 176.870 -0.097 0.000 1.049 1306 L CA -0.332 54.459 54.840 -0.080 0.000 0.804 1306 L CB 1.226 43.251 42.059 -0.056 0.000 1.195 1306 L HN 0.651 nan 8.230 nan 0.000 0.428 1307 E N 2.003 122.161 120.200 -0.069 0.000 2.212 1307 E HA 0.604 4.956 4.350 0.003 0.000 0.268 1307 E C -1.033 175.563 176.600 -0.008 0.000 0.902 1307 E CA -0.603 55.778 56.400 -0.032 0.000 0.779 1307 E CB 2.555 32.244 29.700 -0.018 0.000 1.172 1307 E HN 0.497 nan 8.360 nan 0.000 0.409 1308 T N 1.234 115.788 114.554 0.001 0.000 2.896 1308 T HA 0.301 4.652 4.350 0.003 0.000 0.297 1308 T C -1.327 173.378 174.700 0.008 0.000 1.108 1308 T CA -0.957 61.146 62.100 0.005 0.000 1.004 1308 T CB 1.388 70.252 68.868 -0.007 0.000 1.159 1308 T HN 0.249 nan 8.240 nan 0.000 0.499 1309 D N 1.185 121.590 120.400 0.009 0.000 2.329 1309 D HA 0.615 5.256 4.640 0.003 0.000 0.232 1309 D C 0.601 176.896 176.300 -0.008 0.000 1.088 1309 D CA 0.560 54.563 54.000 0.004 0.000 0.835 1309 D CB 1.059 41.864 40.800 0.009 0.000 1.078 1309 D HN 1.021 nan 8.370 nan 0.000 0.495 1310 G N 0.263 109.053 108.800 -0.017 0.000 2.612 1310 G HA2 0.085 4.047 3.960 0.003 0.000 0.686 1310 G HA3 0.085 4.047 3.960 0.003 0.000 0.686 1310 G C -1.375 173.500 174.900 -0.040 0.000 1.274 1310 G CA -0.932 44.149 45.100 -0.032 0.000 0.849 1310 G HN 0.485 nan 8.290 nan 0.000 0.595 1311 V N 1.232 121.116 119.914 -0.051 0.000 2.567 1311 V HA 0.623 4.744 4.120 0.003 0.000 0.298 1311 V C 0.169 176.229 176.094 -0.056 0.000 1.047 1311 V CA -0.429 61.838 62.300 -0.056 0.000 0.880 1311 V CB 1.813 33.596 31.823 -0.067 0.000 1.009 1311 V HN 0.924 nan 8.190 nan 0.000 0.429 1312 N N 3.768 122.439 118.700 -0.048 0.000 2.646 1312 N HA 0.110 4.852 4.740 0.003 0.000 0.303 1312 N C 1.091 176.581 175.510 -0.033 0.000 1.921 1312 N CA -0.325 52.699 53.050 -0.043 0.000 0.872 1312 N CB 0.839 39.299 38.487 -0.044 0.000 1.327 1312 N HN 0.624 nan 8.380 nan 0.000 0.492 1313 L N 1.188 122.389 121.223 -0.036 0.000 2.123 1313 L HA -0.287 4.055 4.340 0.003 0.000 0.217 1313 L C 1.924 178.785 176.870 -0.015 0.000 1.081 1313 L CA 1.997 56.821 54.840 -0.026 0.000 0.772 1313 L CB -0.648 41.392 42.059 -0.032 0.000 0.890 1313 L HN 0.296 nan 8.230 nan 0.000 0.437 1314 S N -0.570 115.120 115.700 -0.018 0.000 2.393 1314 S HA -0.243 4.228 4.470 0.003 0.000 0.234 1314 S C 1.458 176.053 174.600 -0.008 0.000 1.064 1314 S CA 2.010 60.203 58.200 -0.012 0.000 1.088 1314 S CB -0.377 62.813 63.200 -0.017 0.000 0.939 1314 S HN 0.613 nan 8.310 nan 0.000 0.448 1315 E N -0.344 119.850 120.200 -0.010 0.000 2.693 1315 E HA 0.275 4.627 4.350 0.003 0.000 0.214 1315 E C 0.919 177.517 176.600 -0.003 0.000 0.990 1315 E CA 0.043 56.440 56.400 -0.006 0.000 1.047 1315 E CB 0.785 30.481 29.700 -0.007 0.000 1.039 1315 E HN 0.341 nan 8.360 nan 0.000 0.475 1316 V N 1.113 121.025 119.914 -0.004 0.000 2.581 1316 V HA -0.123 3.999 4.120 0.003 0.000 0.240 1316 V C 2.459 178.556 176.094 0.005 0.000 1.054 1316 V CA 1.312 63.611 62.300 -0.002 0.000 1.076 1316 V CB -0.418 31.400 31.823 -0.008 0.000 0.748 1316 V HN 0.327 nan 8.190 nan 0.000 0.474 1317 M N 1.324 120.930 119.600 0.009 0.000 2.374 1317 M HA -0.095 4.387 4.480 0.003 0.000 0.264 1317 M C 1.901 178.213 176.300 0.020 0.000 1.067 1317 M CA 2.132 57.444 55.300 0.020 0.000 1.103 1317 M CB -1.293 31.323 32.600 0.026 0.000 1.402 1317 M HN 0.430 nan 8.290 nan 0.000 0.444 1318 T N -1.303 113.259 114.554 0.013 0.000 3.113 1318 T HA 0.159 4.510 4.350 0.003 0.000 0.263 1318 T C 0.737 175.444 174.700 0.012 0.000 1.143 1318 T CA -0.078 62.029 62.100 0.012 0.000 1.090 1318 T CB -0.858 68.014 68.868 0.007 0.000 0.922 1318 T HN 0.249 nan 8.240 nan 0.000 0.521 1319 V N 4.028 123.949 119.914 0.012 0.000 2.655 1319 V HA 0.218 4.340 4.120 0.003 0.000 0.300 1319 V C -1.957 174.147 176.094 0.017 0.000 1.044 1319 V CA -1.544 60.763 62.300 0.010 0.000 1.095 1319 V CB 0.650 32.477 31.823 0.007 0.000 0.952 1319 V HN 0.377 nan 8.190 nan 0.000 0.485 1320 P HA 0.449 nan 4.420 nan 0.000 0.279 1320 P C 0.722 178.036 177.300 0.023 0.000 1.239 1320 P CA 0.615 63.728 63.100 0.021 0.000 0.789 1320 P CB 1.160 32.870 31.700 0.016 0.000 0.933 1321 G N 1.785 110.611 108.800 0.043 0.000 2.278 1321 G HA2 -0.157 3.804 3.960 0.003 0.000 0.210 1321 G HA3 -0.157 3.804 3.960 0.003 0.000 0.210 1321 G C 0.043 174.984 174.900 0.069 0.000 1.000 1321 G CA 0.142 45.272 45.100 0.049 0.000 0.635 1321 G HN 0.677 nan 8.290 nan 0.000 0.495 1322 I N -0.257 120.350 120.570 0.062 0.000 3.100 1322 I HA 0.819 4.990 4.170 0.003 0.000 0.312 1322 I C -1.499 174.673 176.117 0.092 0.000 1.063 1322 I CA -1.095 60.252 61.300 0.077 0.000 1.031 1322 I CB 1.794 39.827 38.000 0.056 0.000 1.243 1322 I HN -0.064 nan 8.210 nan 0.000 0.483 1323 D N 4.493 124.965 120.400 0.120 0.000 2.396 1323 D HA 0.445 5.087 4.640 0.003 0.000 0.225 1323 D C -2.150 174.220 176.300 0.116 0.000 1.121 1323 D CA -2.061 52.013 54.000 0.122 0.000 0.853 1323 D CB 1.232 42.125 40.800 0.155 0.000 1.043 1323 D HN 0.321 nan 8.370 nan 0.000 0.500 1324 P HA 0.159 nan 4.420 nan 0.000 0.244 1324 P C 0.367 177.712 177.300 0.074 0.000 1.632 1324 P CA 0.021 63.165 63.100 0.073 0.000 0.944 1324 P CB 0.553 32.284 31.700 0.051 0.000 1.569 1325 T N -1.606 113.002 114.554 0.091 0.000 3.058 1325 T HA 0.290 4.641 4.350 0.003 0.000 0.278 1325 T C 1.154 175.924 174.700 0.117 0.000 0.974 1325 T CA 0.160 62.309 62.100 0.083 0.000 0.893 1325 T CB 0.028 68.927 68.868 0.053 0.000 1.138 1325 T HN -0.048 nan 8.240 nan 0.000 0.529 1326 R N 0.013 120.623 120.500 0.184 0.000 2.646 1326 R HA 0.424 4.765 4.340 0.003 0.000 0.226 1326 R C 0.667 177.205 176.300 0.396 0.000 0.928 1326 R CA -0.277 56.008 56.100 0.309 0.000 1.010 1326 R CB 0.540 31.054 30.300 0.357 0.000 1.516 1326 R HN 0.371 nan 8.270 nan 0.000 0.621 1327 I N 1.954 122.673 120.570 0.248 0.000 2.919 1327 I HA -0.160 4.012 4.170 0.003 0.000 0.299 1327 I C -1.127 175.094 176.117 0.174 0.000 1.221 1327 I CA 0.710 62.080 61.300 0.116 0.000 1.424 1327 I CB 0.160 38.200 38.000 0.066 0.000 1.358 1327 I HN 0.067 nan 8.210 nan 0.000 0.551 1328 Y N 6.394 126.689 120.300 -0.009 0.000 2.373 1328 Y HA 0.427 4.978 4.550 0.003 0.000 0.336 1328 Y C -0.787 175.127 175.900 0.022 0.000 0.979 1328 Y CA -0.574 57.548 58.100 0.037 0.000 1.080 1328 Y CB 1.806 40.316 38.460 0.082 0.000 1.190 1328 Y HN 0.556 nan 8.280 nan 0.000 0.446 1329 T N 6.207 120.416 114.554 -0.574 0.000 2.809 1329 T HA 0.121 4.473 4.350 0.003 0.000 0.284 1329 T C 0.770 175.102 174.700 -0.613 0.000 0.992 1329 T CA -0.701 61.131 62.100 -0.448 0.000 0.957 1329 T CB 0.335 69.080 68.868 -0.204 0.000 0.942 1329 T HN 0.825 nan 8.240 nan 0.000 0.439 1330 N N 2.654 121.131 118.700 -0.371 0.000 2.513 1330 N HA -0.087 4.654 4.740 0.003 0.000 0.187 1330 N C 0.816 176.310 175.510 -0.026 0.000 1.056 1330 N CA 0.446 53.411 53.050 -0.143 0.000 0.907 1330 N CB -0.043 38.479 38.487 0.058 0.000 0.954 1330 N HN 0.334 nan 8.380 nan 0.000 0.445 1331 S N 0.546 116.185 115.700 -0.102 0.000 3.065 1331 S HA 0.114 4.585 4.470 0.003 0.000 0.311 1331 S C 0.790 175.312 174.600 -0.130 0.000 1.204 1331 S CA -0.880 57.244 58.200 -0.127 0.000 1.040 1331 S CB -1.249 61.866 63.200 -0.142 0.000 1.436 1331 S HN 0.343 nan 8.310 nan 0.000 0.532 1332 F N 4.055 123.977 119.950 -0.048 0.000 2.365 1332 F HA 0.051 4.580 4.527 0.003 0.000 0.300 1332 F C 1.575 177.371 175.800 -0.007 0.000 1.090 1332 F CA 0.434 58.421 58.000 -0.021 0.000 1.408 1332 F CB -0.354 38.664 39.000 0.030 0.000 1.060 1332 F HN 0.528 nan 8.300 nan 0.000 0.534 1333 I N 1.404 121.546 120.570 -0.713 0.000 2.394 1333 I HA -0.216 3.955 4.170 0.003 0.000 0.251 1333 I C 1.200 177.205 176.117 -0.188 0.000 1.136 1333 I CA 1.788 62.815 61.300 -0.456 0.000 1.425 1333 I CB -0.645 37.019 38.000 -0.560 0.000 1.079 1333 I HN 0.120 nan 8.210 nan 0.000 0.425 1334 D N 1.020 121.321 120.400 -0.164 0.000 2.123 1334 D HA -0.110 4.532 4.640 0.003 0.000 0.200 1334 D C 2.314 178.586 176.300 -0.048 0.000 0.976 1334 D CA 0.854 54.798 54.000 -0.093 0.000 0.831 1334 D CB -0.031 40.713 40.800 -0.094 0.000 0.974 1334 D HN 0.249 nan 8.370 nan 0.000 0.469 1335 I N 0.754 121.304 120.570 -0.033 0.000 2.315 1335 I HA -0.246 3.926 4.170 0.003 0.000 0.251 1335 I C 2.100 178.242 176.117 0.041 0.000 1.125 1335 I CA 1.027 62.337 61.300 0.015 0.000 1.392 1335 I CB -0.466 37.566 38.000 0.054 0.000 1.065 1335 I HN 0.230 nan 8.210 nan 0.000 0.424 1336 M N 0.258 119.883 119.600 0.042 0.000 2.419 1336 M HA -0.116 4.366 4.480 0.003 0.000 0.264 1336 M C 1.692 178.009 176.300 0.028 0.000 1.082 1336 M CA 1.471 56.803 55.300 0.054 0.000 1.119 1336 M CB -0.190 32.453 32.600 0.072 0.000 1.398 1336 M HN 0.265 nan 8.290 nan 0.000 0.453 1337 E N -1.228 118.977 120.200 0.008 0.000 2.276 1337 E HA -0.021 4.330 4.350 0.003 0.000 0.193 1337 E C 1.917 178.520 176.600 0.005 0.000 0.983 1337 E CA 0.443 56.844 56.400 0.003 0.000 0.861 1337 E CB 0.438 30.131 29.700 -0.012 0.000 0.817 1337 E HN 0.284 nan 8.360 nan 0.000 0.485 1338 V N 0.919 120.837 119.914 0.006 0.000 2.492 1338 V HA -0.033 4.089 4.120 0.003 0.000 0.241 1338 V C 1.646 177.751 176.094 0.018 0.000 1.041 1338 V CA 1.030 63.335 62.300 0.008 0.000 1.057 1338 V CB 0.082 31.907 31.823 0.003 0.000 0.711 1338 V HN 0.201 nan 8.190 nan 0.000 0.468 1339 L N 0.208 121.447 121.223 0.027 0.000 2.965 1339 L HA 0.570 4.912 4.340 0.003 0.000 0.254 1339 L C 0.872 177.764 176.870 0.037 0.000 1.220 1339 L CA 0.361 55.222 54.840 0.035 0.000 1.023 1339 L CB -0.096 41.992 42.059 0.047 0.000 1.355 1339 L HN 0.491 nan 8.230 nan 0.000 0.545 1340 G N 0.839 109.659 108.800 0.033 0.000 2.760 1340 G HA2 -0.295 3.667 3.960 0.003 0.000 0.246 1340 G HA3 -0.295 3.667 3.960 0.003 0.000 0.246 1340 G C 0.123 175.050 174.900 0.045 0.000 1.359 1340 G CA -0.011 45.110 45.100 0.034 0.000 0.861 1340 G HN 0.076 nan 8.290 nan 0.000 0.541 1341 I N -0.592 120.004 120.570 0.044 0.000 2.480 1341 I HA 0.173 4.345 4.170 0.003 0.000 0.251 1341 I C 2.189 178.341 176.117 0.057 0.000 1.124 1341 I CA 2.120 63.453 61.300 0.054 0.000 1.444 1341 I CB -0.153 37.877 38.000 0.049 0.000 1.098 1341 I HN 0.589 nan 8.210 nan 0.000 0.428 1342 E N 0.820 121.047 120.200 0.045 0.000 2.208 1342 E HA -0.060 4.292 4.350 0.003 0.000 0.193 1342 E C 2.158 178.787 176.600 0.048 0.000 0.988 1342 E CA 1.024 57.448 56.400 0.040 0.000 0.828 1342 E CB -0.088 29.627 29.700 0.024 0.000 0.763 1342 E HN 0.615 nan 8.360 nan 0.000 0.478 1343 A N 0.606 123.460 122.820 0.056 0.000 2.066 1343 A HA 0.012 4.334 4.320 0.003 0.000 0.218 1343 A C 2.306 179.952 177.584 0.104 0.000 1.157 1343 A CA 1.388 53.470 52.037 0.074 0.000 0.670 1343 A CB -0.597 18.447 19.000 0.073 0.000 0.804 1343 A HN 0.303 nan 8.150 nan 0.000 0.453 1344 G N -0.314 108.549 108.800 0.105 0.000 2.453 1344 G HA2 -0.260 3.702 3.960 0.003 0.000 0.215 1344 G HA3 -0.260 3.702 3.960 0.003 0.000 0.215 1344 G C 1.678 176.655 174.900 0.128 0.000 1.201 1344 G CA 0.895 46.080 45.100 0.141 0.000 0.784 1344 G HN 0.494 nan 8.290 nan 0.000 0.545 1345 R N 0.536 121.090 120.500 0.091 0.000 2.165 1345 R HA -0.230 4.112 4.340 0.003 0.000 0.254 1345 R C 2.755 179.108 176.300 0.087 0.000 1.153 1345 R CA 1.888 58.029 56.100 0.068 0.000 0.971 1345 R CB -0.438 29.888 30.300 0.043 0.000 0.878 1345 R HN 0.349 nan 8.270 nan 0.000 0.449 1346 A N -0.200 122.678 122.820 0.097 0.000 1.968 1346 A HA 0.011 4.332 4.320 0.003 0.000 0.217 1346 A C 2.218 179.925 177.584 0.204 0.000 1.169 1346 A CA 1.400 53.512 52.037 0.124 0.000 0.638 1346 A CB -0.388 18.665 19.000 0.088 0.000 0.812 1346 A HN 0.524 nan 8.150 nan 0.000 0.446 1347 A N -0.457 122.489 122.820 0.211 0.000 1.898 1347 A HA 0.107 4.428 4.320 0.003 0.000 0.214 1347 A C 2.077 179.744 177.584 0.138 0.000 1.183 1347 A CA 1.410 53.612 52.037 0.276 0.000 0.622 1347 A CB -0.601 18.581 19.000 0.303 0.000 0.824 1347 A HN 0.642 nan 8.150 nan 0.000 0.444 1348 L N -1.218 119.996 121.223 -0.015 0.000 2.042 1348 L HA -0.192 4.149 4.340 0.003 0.000 0.210 1348 L C 2.304 179.091 176.870 -0.138 0.000 1.076 1348 L CA 2.580 57.210 54.840 -0.350 0.000 0.749 1348 L CB -0.878 40.975 42.059 -0.344 0.000 0.893 1348 L HN 0.544 nan 8.230 nan 0.000 0.432 1349 Y N 0.646 120.898 120.300 -0.081 0.000 2.089 1349 Y HA -0.344 4.208 4.550 0.003 0.000 0.282 1349 Y C 2.753 178.687 175.900 0.056 0.000 1.139 1349 Y CA 2.515 60.603 58.100 -0.019 0.000 1.123 1349 Y CB -0.387 38.073 38.460 -0.001 0.000 0.980 1349 Y HN 0.267 nan 8.280 nan 0.000 0.493 1350 K N -0.093 120.410 120.400 0.173 0.000 2.173 1350 K HA -0.287 4.035 4.320 0.003 0.000 0.207 1350 K C 1.955 178.600 176.600 0.076 0.000 1.046 1350 K CA 2.067 58.417 56.287 0.105 0.000 0.929 1350 K CB -0.200 32.410 32.500 0.184 0.000 0.720 1350 K HN 0.322 nan 8.250 nan 0.000 0.453 1351 E N -0.197 120.033 120.200 0.050 0.000 2.076 1351 E HA -0.052 4.299 4.350 0.003 0.000 0.190 1351 E C 1.811 178.394 176.600 -0.030 0.000 0.979 1351 E CA 0.766 57.192 56.400 0.044 0.000 0.807 1351 E CB -0.013 29.696 29.700 0.015 0.000 0.761 1351 E HN 0.112 nan 8.360 nan 0.000 0.454 1352 V N 0.539 120.383 119.914 -0.117 0.000 2.343 1352 V HA -0.262 3.859 4.120 0.003 0.000 0.247 1352 V C 2.012 178.031 176.094 -0.124 0.000 1.051 1352 V CA 2.051 64.275 62.300 -0.127 0.000 1.036 1352 V CB -0.573 31.159 31.823 -0.152 0.000 0.654 1352 V HN 0.380 nan 8.190 nan 0.000 0.451 1353 Y N 1.248 121.342 120.300 -0.343 0.000 2.070 1353 Y HA -0.249 4.302 4.550 0.003 0.000 0.279 1353 Y C 2.562 178.390 175.900 -0.119 0.000 1.134 1353 Y CA 2.251 60.169 58.100 -0.303 0.000 1.113 1353 Y CB -0.521 37.635 38.460 -0.506 0.000 0.981 1353 Y HN 0.215 nan 8.280 nan 0.000 0.487 1354 N N -0.115 118.657 118.700 0.121 0.000 2.334 1354 N HA -0.206 4.535 4.740 0.003 0.000 0.187 1354 N C 1.764 177.253 175.510 -0.035 0.000 1.016 1354 N CA 1.284 54.373 53.050 0.066 0.000 0.879 1354 N CB -0.119 38.457 38.487 0.148 0.000 0.965 1354 N HN 0.292 nan 8.380 nan 0.000 0.438 1355 V N 1.624 121.511 119.914 -0.046 0.000 2.283 1355 V HA -0.188 3.934 4.120 0.003 0.000 0.243 1355 V C 2.280 178.322 176.094 -0.085 0.000 1.039 1355 V CA 1.083 63.359 62.300 -0.040 0.000 1.016 1355 V CB -0.190 31.619 31.823 -0.024 0.000 0.650 1355 V HN 0.222 nan 8.190 nan 0.000 0.449 1356 I N 0.645 121.124 120.570 -0.153 0.000 2.179 1356 I HA -0.179 3.992 4.170 0.003 0.000 0.242 1356 I C 2.639 178.644 176.117 -0.187 0.000 1.088 1356 I CA 2.072 63.276 61.300 -0.160 0.000 1.357 1356 I CB -1.723 36.171 38.000 -0.177 0.000 1.051 1356 I HN 0.319 nan 8.210 nan 0.000 0.409 1357 A N 1.017 123.633 122.820 -0.339 0.000 2.066 1357 A HA -0.117 4.204 4.320 0.003 0.000 0.218 1357 A C 2.403 179.905 177.584 -0.136 0.000 1.157 1357 A CA 1.460 53.318 52.037 -0.297 0.000 0.670 1357 A CB -0.696 17.965 19.000 -0.565 0.000 0.804 1357 A HN 0.565 nan 8.150 nan 0.000 0.453 1358 S N -0.417 115.226 115.700 -0.095 0.000 2.465 1358 S HA -0.161 4.310 4.470 0.003 0.000 0.241 1358 S C 1.174 175.775 174.600 0.002 0.000 1.000 1358 S CA 1.456 59.644 58.200 -0.020 0.000 0.964 1358 S CB -0.195 63.018 63.200 0.020 0.000 0.763 1358 S HN 0.507 nan 8.310 nan 0.000 0.512 1359 D N 0.285 120.676 120.400 -0.014 0.000 2.440 1359 D HA 0.287 4.929 4.640 0.003 0.000 0.216 1359 D C 1.266 177.565 176.300 -0.001 0.000 1.150 1359 D CA 0.379 54.382 54.000 0.005 0.000 0.832 1359 D CB 0.069 40.871 40.800 0.004 0.000 0.992 1359 D HN 0.457 nan 8.370 nan 0.000 0.502 1360 G N -0.012 108.780 108.800 -0.013 0.000 2.176 1360 G HA2 -0.249 3.713 3.960 0.003 0.000 0.253 1360 G HA3 -0.249 3.713 3.960 0.003 0.000 0.253 1360 G C 0.575 175.478 174.900 0.005 0.000 0.979 1360 G CA 0.367 45.464 45.100 -0.005 0.000 0.641 1360 G HN 0.361 nan 8.290 nan 0.000 0.530 1361 S N -0.573 115.125 115.700 -0.005 0.000 2.614 1361 S HA 0.631 5.103 4.470 0.003 0.000 0.265 1361 S C -0.547 174.100 174.600 0.078 0.000 1.303 1361 S CA 0.074 58.284 58.200 0.017 0.000 1.000 1361 S CB 1.299 64.488 63.200 -0.019 0.000 0.935 1361 S HN 0.989 nan 8.310 nan 0.000 0.551 1362 Y N 1.016 121.290 120.300 -0.044 0.000 2.361 1362 Y HA 0.559 5.111 4.550 0.003 0.000 0.328 1362 Y C -1.536 174.383 175.900 0.032 0.000 1.044 1362 Y CA -0.884 57.205 58.100 -0.018 0.000 1.085 1362 Y CB 0.582 39.044 38.460 0.005 0.000 1.194 1362 Y HN 0.342 nan 8.280 nan 0.000 0.438 1363 V N 6.702 126.393 119.914 -0.371 0.000 2.495 1363 V HA 0.296 4.418 4.120 0.003 0.000 0.298 1363 V C 0.009 175.888 176.094 -0.357 0.000 1.031 1363 V CA -1.177 60.903 62.300 -0.367 0.000 0.871 1363 V CB 1.700 33.471 31.823 -0.086 0.000 0.988 1363 V HN 0.876 nan 8.190 nan 0.000 0.432 1364 N N 2.459 120.973 118.700 -0.310 0.000 2.458 1364 N HA -0.066 4.676 4.740 0.003 0.000 0.258 1364 N C 1.046 176.645 175.510 0.149 0.000 1.219 1364 N CA 0.090 53.113 53.050 -0.045 0.000 0.902 1364 N CB 0.584 39.044 38.487 -0.045 0.000 1.076 1364 N HN 0.801 nan 8.380 nan 0.000 0.455 1365 Y N 5.570 125.991 120.300 0.202 0.000 2.096 1365 Y HA -0.339 4.213 4.550 0.003 0.000 0.278 1365 Y C 2.458 178.386 175.900 0.047 0.000 1.192 1365 Y CA 2.487 60.717 58.100 0.217 0.000 1.143 1365 Y CB -0.112 38.452 38.460 0.173 0.000 0.963 1365 Y HN 0.702 nan 8.280 nan 0.000 0.505 1366 R N -0.804 119.677 120.500 -0.032 0.000 2.249 1366 R HA -0.197 4.144 4.340 0.003 0.000 0.230 1366 R C 1.339 177.424 176.300 -0.360 0.000 1.121 1366 R CA 1.671 57.588 56.100 -0.305 0.000 0.997 1366 R CB -0.873 29.191 30.300 -0.393 0.000 0.867 1366 R HN 0.483 nan 8.270 nan 0.000 0.465 1367 H N 1.366 120.386 119.070 -0.083 0.000 2.268 1367 H HA 0.115 4.673 4.556 0.003 0.000 0.313 1367 H C 2.310 177.590 175.328 -0.080 0.000 1.056 1367 H CA 1.602 57.619 56.048 -0.052 0.000 1.369 1367 H CB -0.581 29.168 29.762 -0.021 0.000 1.422 1367 H HN 0.120 nan 8.280 nan 0.000 0.520 1368 M N 0.736 120.390 119.600 0.091 0.000 2.143 1368 M HA -0.196 4.286 4.480 0.003 0.000 0.258 1368 M C 2.626 178.933 176.300 0.011 0.000 1.071 1368 M CA 1.616 56.946 55.300 0.049 0.000 1.088 1368 M CB -0.393 32.255 32.600 0.081 0.000 1.360 1368 M HN 0.264 nan 8.290 nan 0.000 0.404 1369 A N 0.837 123.562 122.820 -0.158 0.000 1.849 1369 A HA -0.220 4.101 4.320 0.003 0.000 0.217 1369 A C 2.127 179.602 177.584 -0.181 0.000 1.202 1369 A CA 2.008 53.830 52.037 -0.358 0.000 0.629 1369 A CB -1.091 17.349 19.000 -0.933 0.000 0.834 1369 A HN 0.457 nan 8.150 nan 0.000 0.447 1370 L N -0.562 120.570 121.223 -0.152 0.000 1.991 1370 L HA -0.233 4.109 4.340 0.003 0.000 0.221 1370 L C 2.332 179.175 176.870 -0.045 0.000 1.079 1370 L CA 2.619 57.420 54.840 -0.065 0.000 0.778 1370 L CB -0.811 41.253 42.059 0.009 0.000 0.893 1370 L HN 0.457 nan 8.230 nan 0.000 0.437 1371 L N -0.897 120.303 121.223 -0.038 0.000 1.965 1371 L HA -0.261 4.081 4.340 0.003 0.000 0.226 1371 L C 2.436 179.279 176.870 -0.045 0.000 1.083 1371 L CA 2.430 57.239 54.840 -0.051 0.000 0.790 1371 L CB -1.137 40.890 42.059 -0.054 0.000 0.898 1371 L HN 0.158 nan 8.230 nan 0.000 0.439 1372 V N 0.329 120.227 119.914 -0.028 0.000 2.313 1372 V HA -0.397 3.725 4.120 0.003 0.000 0.253 1372 V C 2.318 178.405 176.094 -0.012 0.000 1.070 1372 V CA 2.198 64.490 62.300 -0.012 0.000 1.057 1372 V CB -0.942 30.908 31.823 0.044 0.000 0.653 1372 V HN 0.586 nan 8.190 nan 0.000 0.450 1373 D N -0.412 119.975 120.400 -0.023 0.000 2.144 1373 D HA -0.110 4.532 4.640 0.003 0.000 0.200 1373 D C 2.094 178.391 176.300 -0.005 0.000 0.978 1373 D CA 1.235 55.228 54.000 -0.012 0.000 0.833 1373 D CB -0.357 40.430 40.800 -0.021 0.000 0.961 1373 D HN 0.379 nan 8.370 nan 0.000 0.470 1374 V N 0.889 120.791 119.914 -0.020 0.000 2.490 1374 V HA -0.181 3.941 4.120 0.003 0.000 0.250 1374 V C 2.008 178.102 176.094 -0.001 0.000 1.061 1374 V CA 1.149 63.437 62.300 -0.020 0.000 1.064 1374 V CB -0.533 31.260 31.823 -0.051 0.000 0.670 1374 V HN 0.229 nan 8.190 nan 0.000 0.461 1375 M N -0.486 119.115 119.600 0.002 0.000 2.704 1375 M HA 0.046 4.528 4.480 0.003 0.000 0.215 1375 M C 1.174 177.503 176.300 0.048 0.000 1.156 1375 M CA 0.667 55.986 55.300 0.031 0.000 1.002 1375 M CB -0.184 32.431 32.600 0.024 0.000 1.781 1375 M HN 0.294 nan 8.290 nan 0.000 0.486 1376 T N -2.046 112.532 114.554 0.040 0.000 3.408 1376 T HA -0.023 4.329 4.350 0.003 0.000 0.273 1376 T C 1.869 176.597 174.700 0.046 0.000 0.983 1376 T CA 0.933 63.062 62.100 0.048 0.000 1.087 1376 T CB 0.029 68.922 68.868 0.043 0.000 1.170 1376 T HN 0.459 nan 8.240 nan 0.000 0.456 1377 T N 1.050 115.627 114.554 0.038 0.000 2.778 1377 T HA -0.130 4.221 4.350 0.003 0.000 0.269 1377 T C 1.306 176.030 174.700 0.039 0.000 1.050 1377 T CA 1.152 63.275 62.100 0.038 0.000 1.137 1377 T CB -0.504 68.378 68.868 0.023 0.000 0.860 1377 T HN 0.305 nan 8.240 nan 0.000 0.468 1378 Q N 1.655 121.479 119.800 0.040 0.000 3.223 1378 Q HA 0.352 4.694 4.340 0.003 0.000 0.299 1378 Q C 1.470 177.498 176.000 0.046 0.000 1.385 1378 Q CA 0.227 56.055 55.803 0.042 0.000 0.942 1378 Q CB -1.084 27.682 28.738 0.046 0.000 1.748 1378 Q HN 0.720 nan 8.270 nan 0.000 0.523 1379 G N 0.739 109.566 108.800 0.044 0.000 5.059 1379 G HA2 -0.391 3.571 3.960 0.003 0.000 0.336 1379 G HA3 -0.391 3.571 3.960 0.003 0.000 0.336 1379 G C 0.404 175.334 174.900 0.049 0.000 1.364 1379 G CA -0.075 45.052 45.100 0.044 0.000 1.020 1379 G HN 0.715 nan 8.290 nan 0.000 0.807 1380 G N -0.832 108.000 108.800 0.054 0.000 3.107 1380 G HA2 0.640 4.602 3.960 0.003 0.000 0.232 1380 G HA3 0.640 4.602 3.960 0.003 0.000 0.232 1380 G C -0.307 174.639 174.900 0.078 0.000 1.339 1380 G CA -0.574 44.563 45.100 0.062 0.000 1.033 1380 G HN 0.904 nan 8.290 nan 0.000 0.567 1381 L N 1.154 122.434 121.223 0.095 0.000 2.477 1381 L HA 0.250 4.591 4.340 0.003 0.000 0.272 1381 L C -0.021 176.919 176.870 0.116 0.000 1.157 1381 L CA 0.239 55.156 54.840 0.128 0.000 0.889 1381 L CB 0.597 42.766 42.059 0.184 0.000 1.158 1381 L HN 0.274 nan 8.230 nan 0.000 0.473 1382 T N 1.725 116.348 114.554 0.115 0.000 2.842 1382 T HA 0.252 4.603 4.350 0.003 0.000 0.308 1382 T C 0.254 175.038 174.700 0.140 0.000 1.041 1382 T CA -0.760 61.410 62.100 0.116 0.000 0.964 1382 T CB 1.085 70.014 68.868 0.101 0.000 0.972 1382 T HN 0.698 nan 8.240 nan 0.000 0.460 1383 S N 1.877 117.674 115.700 0.162 0.000 2.580 1383 S HA 0.140 4.612 4.470 0.003 0.000 0.261 1383 S C 0.837 175.578 174.600 0.236 0.000 1.366 1383 S CA -0.709 57.602 58.200 0.186 0.000 0.996 1383 S CB 0.274 63.593 63.200 0.197 0.000 0.902 1383 S HN 0.435 nan 8.310 nan 0.000 0.566 1384 V N 1.593 121.632 119.914 0.208 0.000 3.095 1384 V HA 0.269 4.390 4.120 0.003 0.000 0.388 1384 V C 0.223 176.581 176.094 0.441 0.000 1.286 1384 V CA -0.126 62.297 62.300 0.204 0.000 1.406 1384 V CB -1.618 30.186 31.823 -0.031 0.000 1.363 1384 V HN 0.994 nan 8.190 nan 0.000 0.532 1385 T N -0.825 113.999 114.554 0.449 0.000 2.831 1385 T HA 0.331 4.682 4.350 0.003 0.000 0.287 1385 T C 1.167 175.765 174.700 -0.170 0.000 1.070 1385 T CA -0.897 61.373 62.100 0.284 0.000 1.010 1385 T CB 1.526 70.577 68.868 0.306 0.000 1.264 1385 T HN 0.340 nan 8.240 nan 0.000 0.532 1386 R N 0.414 120.767 120.500 -0.244 0.000 2.341 1386 R HA -0.094 4.247 4.340 0.003 0.000 0.213 1386 R C 0.972 177.015 176.300 -0.430 0.000 1.082 1386 R CA 1.276 57.123 56.100 -0.422 0.000 1.017 1386 R CB -0.578 29.577 30.300 -0.241 0.000 0.860 1386 R HN 0.653 nan 8.270 nan 0.000 0.473 1387 H N 0.302 119.338 119.070 -0.058 0.000 2.418 1387 H HA 0.160 4.718 4.556 0.003 0.000 0.300 1387 H C 1.999 177.313 175.328 -0.024 0.000 1.041 1387 H CA 0.991 57.025 56.048 -0.024 0.000 1.364 1387 H CB -0.295 29.480 29.762 0.023 0.000 1.439 1387 H HN 0.343 nan 8.280 nan 0.000 0.540 1388 G N 2.026 110.907 108.800 0.135 0.000 2.707 1388 G HA2 -0.031 3.931 3.960 0.003 0.000 0.204 1388 G HA3 -0.031 3.931 3.960 0.003 0.000 0.204 1388 G C 0.717 175.669 174.900 0.087 0.000 1.435 1388 G CA 0.483 45.669 45.100 0.143 0.000 0.890 1388 G HN 0.316 nan 8.290 nan 0.000 0.552 1389 F N 1.659 121.580 119.950 -0.048 0.000 2.331 1389 F HA 0.353 4.881 4.527 0.003 0.000 0.293 1389 F C 0.885 176.619 175.800 -0.110 0.000 1.277 1389 F CA -0.419 57.527 58.000 -0.090 0.000 1.204 1389 F CB -0.419 38.495 39.000 -0.143 0.000 1.374 1389 F HN 0.756 nan 8.300 nan 0.000 0.520 1390 N N -0.053 118.506 118.700 -0.236 0.000 3.192 1390 N HA -0.388 4.354 4.740 0.003 0.000 0.195 1390 N C 0.094 175.491 175.510 -0.188 0.000 0.856 1390 N CA 1.405 54.294 53.050 -0.269 0.000 0.926 1390 N CB -0.751 37.484 38.487 -0.420 0.000 0.778 1390 N HN 1.323 nan 8.380 nan 0.000 0.685 1391 R N -3.485 116.919 120.500 -0.160 0.000 3.569 1391 R HA -0.189 4.153 4.340 0.003 0.000 0.260 1391 R C -0.386 175.880 176.300 -0.057 0.000 1.078 1391 R CA 1.662 57.702 56.100 -0.100 0.000 0.716 1391 R CB -3.055 27.187 30.300 -0.097 0.000 1.088 1391 R HN 1.331 nan 8.270 nan 0.000 0.473 1392 S N 0.056 115.728 115.700 -0.046 0.000 2.272 1392 S HA 0.221 4.692 4.470 0.003 0.000 0.207 1392 S C 0.104 174.696 174.600 -0.014 0.000 1.336 1392 S CA -0.405 57.785 58.200 -0.017 0.000 1.259 1392 S CB -0.109 63.091 63.200 0.000 0.000 1.130 1392 S HN 0.581 nan 8.310 nan 0.000 0.444 1393 N N 0.325 119.011 118.700 -0.022 0.000 2.700 1393 N HA -0.246 4.496 4.740 0.003 0.000 0.265 1393 N C 0.093 175.595 175.510 -0.014 0.000 0.975 1393 N CA 1.085 54.122 53.050 -0.021 0.000 0.800 1393 N CB -1.845 36.635 38.487 -0.011 0.000 0.908 1393 N HN 0.568 nan 8.380 nan 0.000 0.551 1394 T N -0.668 113.876 114.554 -0.017 0.000 3.115 1394 T HA 0.341 4.692 4.350 0.003 0.000 0.235 1394 T C 1.139 175.838 174.700 -0.001 0.000 0.999 1394 T CA 1.049 63.147 62.100 -0.005 0.000 1.276 1394 T CB 0.305 69.173 68.868 -0.000 0.000 0.967 1394 T HN 0.654 nan 8.240 nan 0.000 0.420 1395 G N -0.198 108.598 108.800 -0.006 0.000 2.029 1395 G HA2 0.551 4.512 3.960 0.003 0.000 0.293 1395 G HA3 0.551 4.512 3.960 0.003 0.000 0.293 1395 G C 0.604 175.501 174.900 -0.005 0.000 1.362 1395 G CA 0.163 45.269 45.100 0.009 0.000 1.226 1395 G HN 0.395 nan 8.290 nan 0.000 0.599 1396 A N 2.335 125.132 122.820 -0.038 0.000 1.906 1396 A HA -0.206 4.116 4.320 0.003 0.000 0.222 1396 A C 2.442 179.988 177.584 -0.063 0.000 1.282 1396 A CA 2.127 54.083 52.037 -0.135 0.000 0.675 1396 A CB -0.684 18.095 19.000 -0.369 0.000 0.838 1396 A HN 0.842 nan 8.150 nan 0.000 0.469 1397 L N -1.689 119.577 121.223 0.071 0.000 2.079 1397 L HA -0.246 4.095 4.340 0.003 0.000 0.210 1397 L C 2.857 179.755 176.870 0.048 0.000 1.081 1397 L CA 1.993 56.892 54.840 0.099 0.000 0.752 1397 L CB -0.365 41.780 42.059 0.143 0.000 0.896 1397 L HN 0.714 nan 8.230 nan 0.000 0.433 1398 M N -0.229 119.394 119.600 0.039 0.000 2.074 1398 M HA -0.203 4.279 4.480 0.003 0.000 0.258 1398 M C 2.393 178.716 176.300 0.039 0.000 1.083 1398 M CA 1.686 57.010 55.300 0.039 0.000 1.128 1398 M CB -0.166 32.455 32.600 0.035 0.000 1.301 1398 M HN -0.023 nan 8.290 nan 0.000 0.417 1399 R N -0.152 120.355 120.500 0.011 0.000 2.226 1399 R HA -0.221 4.121 4.340 0.003 0.000 0.246 1399 R C 2.503 178.813 176.300 0.017 0.000 1.161 1399 R CA 1.453 57.550 56.100 -0.005 0.000 0.997 1399 R CB -1.239 29.027 30.300 -0.057 0.000 0.870 1399 R HN 0.680 nan 8.270 nan 0.000 0.465 1400 C N 0.647 119.946 119.300 -0.002 0.000 2.467 1400 C HA 0.043 4.504 4.460 0.003 0.000 0.279 1400 C C 2.348 177.347 174.990 0.015 0.000 1.347 1400 C CA 0.642 59.647 59.018 -0.022 0.000 1.748 1400 C CB -0.663 27.046 27.740 -0.051 0.000 1.977 1400 C HN 0.485 nan 8.230 nan 0.000 0.501 1401 S N -0.893 114.839 115.700 0.054 0.000 2.803 1401 S HA 0.131 4.602 4.470 0.003 0.000 0.228 1401 S C 0.772 175.455 174.600 0.138 0.000 0.953 1401 S CA 0.159 58.400 58.200 0.067 0.000 0.983 1401 S CB -0.730 62.507 63.200 0.062 0.000 0.784 1401 S HN 0.759 nan 8.310 nan 0.000 0.498 1402 F N 1.378 121.322 119.950 -0.009 0.000 2.536 1402 F HA 0.564 5.092 4.527 0.003 0.000 0.278 1402 F C 0.329 176.133 175.800 0.006 0.000 0.945 1402 F CA -0.034 57.975 58.000 0.015 0.000 1.244 1402 F CB 0.500 39.517 39.000 0.027 0.000 1.118 1402 F HN 0.239 nan 8.300 nan 0.000 0.725 1403 E N -0.100 119.973 120.200 -0.211 0.000 2.396 1403 E HA 0.236 4.588 4.350 0.003 0.000 0.280 1403 E C -1.407 175.119 176.600 -0.123 0.000 1.065 1403 E CA -0.615 55.588 56.400 -0.328 0.000 0.831 1403 E CB 1.569 30.962 29.700 -0.513 0.000 1.272 1403 E HN 0.181 nan 8.360 nan 0.000 0.443 1404 E N 0.825 120.949 120.200 -0.126 0.000 2.393 1404 E HA -0.209 4.143 4.350 0.003 0.000 0.169 1404 E C -0.021 176.514 176.600 -0.108 0.000 1.591 1404 E CA 0.697 57.036 56.400 -0.100 0.000 0.661 1404 E CB -1.078 28.571 29.700 -0.084 0.000 1.097 1404 E HN 0.560 nan 8.360 nan 0.000 0.356 1405 T N -1.062 113.419 114.554 -0.122 0.000 2.894 1405 T HA -0.058 4.294 4.350 0.003 0.000 0.258 1405 T C 1.878 176.452 174.700 -0.209 0.000 1.043 1405 T CA 1.105 63.124 62.100 -0.134 0.000 1.141 1405 T CB 0.225 69.026 68.868 -0.112 0.000 0.873 1405 T HN 0.213 nan 8.240 nan 0.000 0.449 1406 V N 3.155 122.910 119.914 -0.265 0.000 2.231 1406 V HA -0.132 3.989 4.120 0.003 0.000 0.240 1406 V C 2.789 178.549 176.094 -0.557 0.000 1.039 1406 V CA 1.547 63.545 62.300 -0.503 0.000 0.998 1406 V CB -0.999 30.536 31.823 -0.479 0.000 0.639 1406 V HN 0.483 nan 8.190 nan 0.000 0.451 1407 E N 0.878 120.925 120.200 -0.256 0.000 2.233 1407 E HA -0.299 4.053 4.350 0.003 0.000 0.210 1407 E C 2.170 178.718 176.600 -0.087 0.000 1.046 1407 E CA 2.079 58.450 56.400 -0.049 0.000 0.844 1407 E CB -0.859 28.832 29.700 -0.015 0.000 0.741 1407 E HN 0.470 nan 8.360 nan 0.000 0.465 1408 I N 1.412 121.890 120.570 -0.153 0.000 2.113 1408 I HA -0.194 3.977 4.170 0.003 0.000 0.238 1408 I C 2.770 178.756 176.117 -0.219 0.000 1.070 1408 I CA 0.937 62.141 61.300 -0.161 0.000 1.332 1408 I CB -0.971 36.938 38.000 -0.152 0.000 1.044 1408 I HN 0.108 nan 8.210 nan 0.000 0.402 1409 L N -0.877 120.177 121.223 -0.282 0.000 2.083 1409 L HA -0.222 4.120 4.340 0.003 0.000 0.209 1409 L C 2.589 179.361 176.870 -0.162 0.000 1.083 1409 L CA 1.294 55.943 54.840 -0.319 0.000 0.752 1409 L CB -0.744 41.149 42.059 -0.276 0.000 0.899 1409 L HN 0.097 nan 8.230 nan 0.000 0.433 1410 F N 0.981 120.852 119.950 -0.131 0.000 2.010 1410 F HA -0.280 4.249 4.527 0.003 0.000 0.296 1410 F C 2.828 178.638 175.800 0.016 0.000 1.146 1410 F CA 1.469 59.393 58.000 -0.127 0.000 1.181 1410 F CB -0.374 38.419 39.000 -0.345 0.000 0.965 1410 F HN 0.191 nan 8.300 nan 0.000 0.480 1411 E N 1.038 121.337 120.200 0.165 0.000 2.209 1411 E HA -0.218 4.134 4.350 0.003 0.000 0.196 1411 E C 2.020 178.587 176.600 -0.055 0.000 0.993 1411 E CA 1.064 57.498 56.400 0.056 0.000 0.819 1411 E CB -0.535 29.149 29.700 -0.028 0.000 0.745 1411 E HN 0.390 nan 8.360 nan 0.000 0.477 1412 A N 1.432 124.171 122.820 -0.135 0.000 2.067 1412 A HA 0.021 4.343 4.320 0.003 0.000 0.219 1412 A C 2.372 179.841 177.584 -0.191 0.000 1.158 1412 A CA 1.277 53.136 52.037 -0.296 0.000 0.661 1412 A CB -0.692 17.931 19.000 -0.627 0.000 0.801 1412 A HN 0.430 nan 8.150 nan 0.000 0.452 1413 G N -1.538 107.262 108.800 -0.000 0.000 2.683 1413 G HA2 0.274 4.235 3.960 0.003 0.000 0.213 1413 G HA3 0.274 4.235 3.960 0.003 0.000 0.213 1413 G C 1.338 176.279 174.900 0.069 0.000 1.142 1413 G CA 0.898 46.094 45.100 0.160 0.000 0.793 1413 G HN 0.670 nan 8.290 nan 0.000 0.534 1414 A N 0.275 123.083 122.820 -0.020 0.000 2.095 1414 A HA 0.353 4.675 4.320 0.003 0.000 0.212 1414 A C 2.269 179.600 177.584 -0.423 0.000 1.162 1414 A CA 1.329 53.203 52.037 -0.272 0.000 0.753 1414 A CB 0.108 18.915 19.000 -0.323 0.000 0.840 1414 A HN 0.184 nan 8.150 nan 0.000 0.468 1415 S N -0.752 114.783 115.700 -0.275 0.000 2.548 1415 S HA 0.409 4.881 4.470 0.003 0.000 0.215 1415 S C 1.014 175.519 174.600 -0.157 0.000 0.976 1415 S CA 0.547 58.588 58.200 -0.264 0.000 0.908 1415 S CB 0.008 63.089 63.200 -0.197 0.000 0.781 1415 S HN 1.602 nan 8.310 nan 0.000 0.519 1416 A N 1.972 124.731 122.820 -0.101 0.000 2.519 1416 A HA -0.197 4.125 4.320 0.003 0.000 0.297 1416 A C 0.049 177.569 177.584 -0.105 0.000 1.472 1416 A CA 0.496 52.484 52.037 -0.082 0.000 0.739 1416 A CB -1.927 17.033 19.000 -0.067 0.000 1.096 1416 A HN 0.565 nan 8.150 nan 0.000 0.414 1417 E N -0.929 119.247 120.200 -0.039 0.000 2.360 1417 E HA 0.362 4.713 4.350 0.003 0.000 0.269 1417 E C 0.008 176.627 176.600 0.032 0.000 1.022 1417 E CA -0.572 55.819 56.400 -0.016 0.000 0.887 1417 E CB 0.805 30.480 29.700 -0.041 0.000 0.990 1417 E HN 0.609 nan 8.360 nan 0.000 0.426 1418 L N 3.078 124.287 121.223 -0.024 0.000 2.289 1418 L HA 0.282 4.624 4.340 0.003 0.000 0.285 1418 L C -0.827 176.059 176.870 0.025 0.000 1.049 1418 L CA -0.233 54.588 54.840 -0.033 0.000 0.804 1418 L CB 1.399 43.412 42.059 -0.077 0.000 1.195 1418 L HN 0.353 nan 8.230 nan 0.000 0.428 1419 D N 2.452 122.880 120.400 0.047 0.000 2.349 1419 D HA 0.177 4.819 4.640 0.003 0.000 0.232 1419 D C 0.651 176.968 176.300 0.028 0.000 1.071 1419 D CA -0.130 53.912 54.000 0.069 0.000 0.832 1419 D CB 1.188 42.077 40.800 0.147 0.000 1.086 1419 D HN 0.654 nan 8.370 nan 0.000 0.504 1420 D N 2.292 122.707 120.400 0.025 0.000 2.149 1420 D HA -0.208 4.434 4.640 0.003 0.000 0.194 1420 D C 0.621 176.930 176.300 0.015 0.000 1.001 1420 D CA 0.872 54.882 54.000 0.017 0.000 0.849 1420 D CB 0.026 40.838 40.800 0.019 0.000 0.939 1420 D HN 0.634 nan 8.370 nan 0.000 0.449 1421 C N -0.967 118.345 119.300 0.019 0.000 4.497 1421 C HA -0.156 4.305 4.460 0.003 0.000 0.292 1421 C C 1.611 176.609 174.990 0.013 0.000 1.366 1421 C CA 0.123 59.150 59.018 0.014 0.000 1.987 1421 C CB -2.256 25.485 27.740 0.003 0.000 1.241 1421 C HN 0.428 nan 8.230 nan 0.000 0.788 1422 R N 0.213 120.724 120.500 0.019 0.000 2.221 1422 R HA 0.182 4.523 4.340 0.003 0.000 0.195 1422 R C 1.514 177.824 176.300 0.018 0.000 0.956 1422 R CA 0.880 56.993 56.100 0.021 0.000 1.064 1422 R CB 0.024 30.344 30.300 0.033 0.000 1.049 1422 R HN 0.607 nan 8.270 nan 0.000 0.534 1423 G N 0.507 109.319 108.800 0.020 0.000 2.636 1423 G HA2 0.195 4.157 3.960 0.003 0.000 0.246 1423 G HA3 0.195 4.157 3.960 0.003 0.000 0.246 1423 G C 1.237 176.142 174.900 0.009 0.000 1.216 1423 G CA -0.503 44.607 45.100 0.017 0.000 0.854 1423 G HN -0.116 nan 8.290 nan 0.000 0.572 1424 V N 1.092 121.008 119.914 0.004 0.000 2.220 1424 V HA -0.214 3.908 4.120 0.003 0.000 0.246 1424 V C 3.066 179.163 176.094 0.004 0.000 1.049 1424 V CA 2.552 64.850 62.300 -0.002 0.000 1.003 1424 V CB -1.048 30.771 31.823 -0.006 0.000 0.634 1424 V HN 0.685 nan 8.190 nan 0.000 0.444 1425 S N -0.666 115.042 115.700 0.013 0.000 2.383 1425 S HA -0.239 4.233 4.470 0.003 0.000 0.229 1425 S C 1.928 176.541 174.600 0.022 0.000 1.030 1425 S CA 1.670 59.882 58.200 0.020 0.000 1.002 1425 S CB -0.394 62.826 63.200 0.033 0.000 0.829 1425 S HN 0.682 nan 8.310 nan 0.000 0.467 1426 E N 1.153 121.367 120.200 0.024 0.000 2.130 1426 E HA -0.168 4.184 4.350 0.003 0.000 0.196 1426 E C 1.565 178.174 176.600 0.014 0.000 0.998 1426 E CA 1.320 57.736 56.400 0.026 0.000 0.806 1426 E CB -0.221 29.497 29.700 0.030 0.000 0.738 1426 E HN 0.541 nan 8.360 nan 0.000 0.459 1427 N N -0.736 117.968 118.700 0.006 0.000 2.463 1427 N HA -0.039 4.702 4.740 0.003 0.000 0.181 1427 N C 1.383 176.891 175.510 -0.003 0.000 1.078 1427 N CA -0.019 53.030 53.050 -0.002 0.000 0.902 1427 N CB 0.496 38.977 38.487 -0.010 0.000 0.970 1427 N HN -0.074 nan 8.380 nan 0.000 0.451 1428 V N 0.920 120.835 119.914 0.001 0.000 2.407 1428 V HA -0.054 4.068 4.120 0.003 0.000 0.245 1428 V C 1.491 177.588 176.094 0.006 0.000 1.041 1428 V CA 1.136 63.437 62.300 0.002 0.000 1.040 1428 V CB -0.179 31.646 31.823 0.003 0.000 0.671 1428 V HN 0.305 nan 8.190 nan 0.000 0.455 1429 I N -0.098 120.478 120.570 0.011 0.000 3.492 1429 I HA -0.065 4.106 4.170 0.003 0.000 0.305 1429 I C 1.122 177.244 176.117 0.009 0.000 1.256 1429 I CA 1.068 62.376 61.300 0.014 0.000 1.244 1429 I CB -0.185 37.830 38.000 0.024 0.000 1.001 1429 I HN 0.280 nan 8.210 nan 0.000 0.536 1430 L N -0.449 120.776 121.223 0.003 0.000 3.515 1430 L HA 0.326 4.668 4.340 0.003 0.000 0.322 1430 L C 1.330 178.198 176.870 -0.004 0.000 1.225 1430 L CA -0.020 54.819 54.840 -0.002 0.000 1.104 1430 L CB 0.670 42.725 42.059 -0.006 0.000 1.506 1430 L HN 0.253 nan 8.230 nan 0.000 0.624 1431 G N 1.145 109.943 108.800 -0.003 0.000 2.249 1431 G HA2 -0.278 3.683 3.960 0.003 0.000 0.273 1431 G HA3 -0.278 3.683 3.960 0.003 0.000 0.273 1431 G C 0.049 174.944 174.900 -0.009 0.000 1.036 1431 G CA 0.400 45.498 45.100 -0.004 0.000 0.824 1431 G HN 0.443 nan 8.290 nan 0.000 0.504 1432 Q N -1.316 118.477 119.800 -0.012 0.000 2.240 1432 Q HA 0.691 5.033 4.340 0.003 0.000 0.260 1432 Q C 0.431 176.417 176.000 -0.024 0.000 1.018 1432 Q CA -0.991 54.801 55.803 -0.018 0.000 0.898 1432 Q CB 1.346 30.073 28.738 -0.019 0.000 1.301 1432 Q HN 0.363 nan 8.270 nan 0.000 0.469 1433 M N 1.475 121.055 119.600 -0.033 0.000 2.146 1433 M HA 0.380 4.862 4.480 0.003 0.000 0.352 1433 M C -0.921 175.349 176.300 -0.049 0.000 1.343 1433 M CA -0.223 55.049 55.300 -0.046 0.000 1.115 1433 M CB 0.605 33.170 32.600 -0.060 0.000 1.657 1433 M HN 0.749 nan 8.290 nan 0.000 0.471 1434 A N 6.672 129.463 122.820 -0.049 0.000 2.316 1434 A HA 0.577 4.898 4.320 0.003 0.000 0.284 1434 A C -2.468 175.080 177.584 -0.060 0.000 1.115 1434 A CA -1.505 50.505 52.037 -0.044 0.000 0.812 1434 A CB -0.207 18.773 19.000 -0.033 0.000 1.064 1434 A HN 0.601 nan 8.150 nan 0.000 0.489 1435 P HA 0.284 nan 4.420 nan 0.000 0.262 1435 P C -1.110 176.147 177.300 -0.071 0.000 1.455 1435 P CA 0.990 64.054 63.100 -0.060 0.000 1.217 1435 P CB -0.416 31.263 31.700 -0.035 0.000 1.625 1436 I N 0.875 121.395 120.570 -0.082 0.000 2.610 1436 I HA 0.292 4.463 4.170 0.003 0.000 0.289 1436 I C 1.351 177.425 176.117 -0.071 0.000 1.163 1436 I CA -0.619 60.635 61.300 -0.076 0.000 1.044 1436 I CB 1.998 39.961 38.000 -0.063 0.000 1.251 1436 I HN 0.354 nan 8.210 nan 0.000 0.424 1437 G N 3.813 112.583 108.800 -0.050 0.000 2.767 1437 G HA2 -0.423 3.539 3.960 0.003 0.000 0.360 1437 G HA3 -0.423 3.539 3.960 0.003 0.000 0.360 1437 G C 1.121 176.043 174.900 0.036 0.000 1.050 1437 G CA 1.833 46.935 45.100 0.003 0.000 0.914 1437 G HN 0.550 nan 8.290 nan 0.000 0.805 1438 T N 1.233 115.771 114.554 -0.025 0.000 2.721 1438 T HA -0.019 4.333 4.350 0.003 0.000 0.268 1438 T C 2.033 176.486 174.700 -0.412 0.000 1.038 1438 T CA 2.321 64.357 62.100 -0.106 0.000 1.145 1438 T CB -0.543 68.279 68.868 -0.077 0.000 0.858 1438 T HN 1.120 nan 8.240 nan 0.000 0.459 1439 G N -0.404 108.207 108.800 -0.314 0.000 3.523 1439 G HA2 0.453 4.415 3.960 0.003 0.000 0.270 1439 G HA3 0.453 4.415 3.960 0.003 0.000 0.270 1439 G C 1.237 175.954 174.900 -0.306 0.000 1.134 1439 G CA 0.456 45.336 45.100 -0.368 0.000 0.825 1439 G HN 0.486 nan 8.290 nan 0.000 0.534 1440 A N 0.320 122.994 122.820 -0.242 0.000 2.066 1440 A HA 0.463 4.785 4.320 0.003 0.000 0.218 1440 A C 0.692 178.421 177.584 0.242 0.000 1.157 1440 A CA 0.495 52.582 52.037 0.084 0.000 0.670 1440 A CB -0.366 18.803 19.000 0.281 0.000 0.804 1440 A HN 0.593 nan 8.150 nan 0.000 0.453 1441 F N -3.319 116.685 119.950 0.091 0.000 2.675 1441 F HA 0.783 5.312 4.527 0.003 0.000 0.324 1441 F C -0.877 174.940 175.800 0.028 0.000 1.106 1441 F CA -1.777 56.264 58.000 0.068 0.000 0.970 1441 F CB 0.523 39.567 39.000 0.073 0.000 1.385 1441 F HN -0.233 nan 8.300 nan 0.000 0.489 1442 D N 0.093 120.614 120.400 0.201 0.000 2.487 1442 D HA 0.707 5.348 4.640 0.003 0.000 0.262 1442 D C -1.020 175.386 176.300 0.178 0.000 1.130 1442 D CA -0.310 53.747 54.000 0.095 0.000 1.038 1442 D CB 2.253 43.087 40.800 0.057 0.000 1.142 1442 D HN 0.411 nan 8.370 nan 0.000 0.575 1443 V N 1.038 121.012 119.914 0.099 0.000 2.709 1443 V HA 0.558 4.679 4.120 0.003 0.000 0.308 1443 V C -0.199 175.930 176.094 0.058 0.000 1.062 1443 V CA -0.635 61.727 62.300 0.103 0.000 0.901 1443 V CB 1.787 33.668 31.823 0.096 0.000 1.003 1443 V HN 0.423 nan 8.190 nan 0.000 0.425 1444 M N 4.460 124.089 119.600 0.049 0.000 2.716 1444 M HA 0.650 5.132 4.480 0.003 0.000 0.278 1444 M C -1.088 175.228 176.300 0.026 0.000 1.281 1444 M CA -0.653 54.666 55.300 0.032 0.000 0.814 1444 M CB 2.606 35.221 32.600 0.025 0.000 1.719 1444 M HN 0.640 nan 8.290 nan 0.000 0.457 1445 I N -0.555 120.027 120.570 0.021 0.000 2.336 1445 I HA 0.360 4.531 4.170 0.003 0.000 0.292 1445 I C 0.375 176.500 176.117 0.013 0.000 0.991 1445 I CA -0.535 60.775 61.300 0.018 0.000 1.227 1445 I CB 0.878 38.888 38.000 0.017 0.000 1.366 1445 I HN 0.650 nan 8.210 nan 0.000 0.466 1446 D N 3.134 123.541 120.400 0.011 0.000 2.349 1446 D HA 0.065 4.707 4.640 0.003 0.000 0.214 1446 D C 0.418 176.722 176.300 0.007 0.000 1.063 1446 D CA -0.139 53.865 54.000 0.007 0.000 0.847 1446 D CB 0.079 40.882 40.800 0.004 0.000 0.933 1446 D HN 0.796 nan 8.370 nan 0.000 0.513 1447 E N 0.474 120.679 120.200 0.008 0.000 3.675 1447 E HA -0.335 4.017 4.350 0.003 0.000 0.252 1447 E C 0.690 177.294 176.600 0.006 0.000 1.502 1447 E CA 1.576 57.980 56.400 0.008 0.000 2.293 1447 E CB -0.770 28.935 29.700 0.007 0.000 2.078 1447 E HN 0.139 nan 8.360 nan 0.000 0.461 1448 E N -1.805 118.398 120.200 0.006 0.000 3.912 1448 E HA -0.320 4.031 4.350 0.003 0.000 0.335 1448 E C -0.549 176.054 176.600 0.005 0.000 0.654 1448 E CA 1.660 58.063 56.400 0.005 0.000 1.177 1448 E CB -1.258 28.444 29.700 0.003 0.000 1.650 1448 E HN 0.373 nan 8.360 nan 0.000 0.430 1449 S N 0.381 116.085 115.700 0.006 0.000 2.383 1449 S HA 0.437 4.908 4.470 0.003 0.000 0.196 1449 S C 0.123 174.727 174.600 0.008 0.000 1.364 1449 S CA -0.130 58.074 58.200 0.006 0.000 1.212 1449 S CB 0.123 63.327 63.200 0.006 0.000 1.171 1449 S HN 0.281 nan 8.310 nan 0.000 0.456 1450 L N 2.542 123.770 121.223 0.008 0.000 3.678 1450 L HA -0.125 4.217 4.340 0.003 0.000 0.425 1450 L C 0.044 176.917 176.870 0.006 0.000 1.240 1450 L CA 0.890 55.734 54.840 0.007 0.000 0.876 1450 L CB -2.932 39.131 42.059 0.006 0.000 1.766 1450 L HN 0.624 nan 8.230 nan 0.000 0.917 1451 V N 0.000 119.918 119.914 0.006 0.000 2.409 1451 V HA 0.000 4.122 4.120 0.003 0.000 0.244 1451 V CA 0.000 62.303 62.300 0.006 0.000 1.235 1451 V CB 0.000 31.826 31.823 0.005 0.000 1.184 1451 V HN 0.000 nan 8.190 nan 0.000 0.556