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 1r9t_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 PSXXXXXXLV SRGGCGNTQP TIRKDGLKLV GSWKXXXXXX XXXXXXLRVL 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 GEPATQMTLX XXXXXXXXXK KVTSGVPRLK DATA SEQUENCE EILNVAKNMK TPSLTVYLEP GHAADQEQAK LIRSAIEHTT LKSVTIASEI DATA SEQUENCE YYDPDPRSTV IPEDEEIIQL HFSLXXXXXX XXXXQQSPWL LRLELDRAAM DATA SEQUENCE NDKDLTMGQV GERIKQTFKN DLFVIWSEDN DEKLIIRCRV VXXXXXXXXX DATA SEQUENCE XAEEDHMLKK IENTMLENIT LRGVENIERV VMMKYDRKVP SPTGEYVKEP DATA SEQUENCE EWVLETDGVN LSEVMTVPGI DPTRIYTNSF IDIMEVLGIE AGRAALYKEV DATA SEQUENCE YNVIASDGSY VNYRHMALLV DVMTTQGGLT SVTRHGFNRS NTGALMRCSF DATA SEQUENCE EETVEILFEA GASAELDDCR GVSENVILGQ MAPIGTGAFD VMI 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 3.956 3.960 -0.007 0.000 0.244 3 G C 0.000 174.898 174.900 -0.004 0.000 0.946 3 G CA 0.000 45.097 45.100 -0.005 0.000 0.502 4 Q N 0.027 119.833 119.800 0.010 0.000 2.814 4 Q HA 0.634 4.970 4.340 -0.007 0.000 0.283 4 Q C 0.399 176.419 176.000 0.034 0.000 1.071 4 Q CA -0.932 54.881 55.803 0.017 0.000 0.849 4 Q CB 1.114 29.866 28.738 0.022 0.000 1.437 4 Q HN 0.287 nan 8.270 nan 0.000 0.492 5 Q N -0.383 119.442 119.800 0.042 0.000 2.455 5 Q HA 0.146 4.482 4.340 -0.007 0.000 0.184 5 Q C -0.609 175.484 176.000 0.155 0.000 1.145 5 Q CA -0.198 55.644 55.803 0.064 0.000 1.123 5 Q CB -0.050 28.712 28.738 0.040 0.000 2.291 5 Q HN 0.401 nan 8.270 nan 0.000 0.584 6 Y N 0.296 120.598 120.300 0.003 0.000 2.335 6 Y HA 0.293 4.839 4.550 -0.007 0.000 0.323 6 Y C 0.345 176.247 175.900 0.004 0.000 1.224 6 Y CA -1.155 56.947 58.100 0.004 0.000 1.241 6 Y CB 1.562 40.025 38.460 0.005 0.000 1.235 6 Y HN 0.596 nan 8.280 nan 0.000 0.492 7 S N 0.128 115.922 115.700 0.157 0.000 2.806 7 S HA 0.490 4.956 4.470 -0.007 0.000 0.315 7 S C 0.637 175.237 174.600 0.000 0.000 1.127 7 S CA 0.068 58.321 58.200 0.089 0.000 0.918 7 S CB 1.173 64.398 63.200 0.041 0.000 1.240 7 S HN 0.616 nan 8.310 nan 0.000 0.552 8 S N 1.428 117.130 115.700 0.004 0.000 2.398 8 S HA 0.408 4.873 4.470 -0.007 0.000 0.220 8 S C 1.290 175.862 174.600 -0.048 0.000 1.046 8 S CA 0.399 58.584 58.200 -0.025 0.000 0.953 8 S CB -1.507 61.702 63.200 0.014 0.000 0.856 8 S HN 1.381 nan 8.310 nan 0.000 0.506 9 A N 3.725 126.531 122.820 -0.023 0.000 2.552 9 A HA 0.488 4.804 4.320 -0.007 0.000 0.241 9 A C -1.813 175.745 177.584 -0.044 0.000 1.103 9 A CA -0.218 51.804 52.037 -0.025 0.000 0.789 9 A CB -0.792 18.201 19.000 -0.011 0.000 1.050 9 A HN 0.547 nan 8.150 nan 0.000 0.515 10 P HA 0.723 nan 4.420 nan 0.000 0.352 10 P C -1.428 175.854 177.300 -0.030 0.000 1.201 10 P CA -0.626 62.448 63.100 -0.043 0.000 0.780 10 P CB 0.791 32.466 31.700 -0.041 0.000 1.573 11 L N -0.975 120.231 121.223 -0.028 0.000 2.562 11 L HA 0.668 5.004 4.340 -0.007 0.000 0.266 11 L C -1.100 175.759 176.870 -0.018 0.000 0.949 11 L CA -0.105 54.722 54.840 -0.022 0.000 0.879 11 L CB 1.546 43.589 42.059 -0.027 0.000 1.278 11 L HN 0.287 nan 8.230 nan 0.000 0.404 12 R N 1.812 122.302 120.500 -0.017 0.000 2.795 12 R HA 0.854 5.189 4.340 -0.007 0.000 0.268 12 R C -1.102 175.188 176.300 -0.017 0.000 1.041 12 R CA -0.777 55.314 56.100 -0.016 0.000 0.927 12 R CB 2.335 32.625 30.300 -0.016 0.000 1.235 12 R HN 0.639 nan 8.270 nan 0.000 0.463 13 T N 0.128 114.672 114.554 -0.017 0.000 2.926 13 T HA 0.550 4.896 4.350 -0.007 0.000 0.289 13 T C -0.787 173.900 174.700 -0.022 0.000 1.054 13 T CA -0.592 61.498 62.100 -0.017 0.000 1.015 13 T CB 1.712 70.572 68.868 -0.013 0.000 1.167 13 T HN 0.176 nan 8.240 nan 0.000 0.526 14 V N 2.501 122.400 119.914 -0.025 0.000 2.716 14 V HA 0.550 4.666 4.120 -0.007 0.000 0.304 14 V C 0.462 176.538 176.094 -0.030 0.000 1.053 14 V CA -0.515 61.765 62.300 -0.033 0.000 0.984 14 V CB 1.576 33.375 31.823 -0.040 0.000 1.021 14 V HN 0.795 nan 8.190 nan 0.000 0.467 15 K N 0.615 120.993 120.400 -0.036 0.000 2.611 15 K HA 0.352 4.668 4.320 -0.007 0.000 0.209 15 K C -0.037 176.542 176.600 -0.035 0.000 1.658 15 K CA 0.071 56.341 56.287 -0.029 0.000 1.080 15 K CB 1.203 33.691 32.500 -0.021 0.000 1.430 15 K HN 0.761 nan 8.250 nan 0.000 0.596 16 E N 0.660 120.829 120.200 -0.053 0.000 2.343 16 E HA 0.459 4.805 4.350 -0.007 0.000 0.278 16 E C -1.420 175.108 176.600 -0.121 0.000 0.910 16 E CA -0.712 55.647 56.400 -0.069 0.000 0.757 16 E CB 3.224 32.889 29.700 -0.058 0.000 1.218 16 E HN -0.269 nan 8.360 nan 0.000 0.435 17 V N 2.470 122.289 119.914 -0.158 0.000 2.638 17 V HA 0.234 4.350 4.120 -0.007 0.000 0.306 17 V C -0.869 174.984 176.094 -0.401 0.000 1.052 17 V CA -0.690 61.435 62.300 -0.292 0.000 0.885 17 V CB 1.948 33.596 31.823 -0.292 0.000 0.999 17 V HN 0.521 nan 8.190 nan 0.000 0.424 18 Q N 4.092 123.586 119.800 -0.510 0.000 2.560 18 Q HA 0.465 4.801 4.340 -0.007 0.000 0.238 18 Q C -0.563 175.080 176.000 -0.593 0.000 1.079 18 Q CA -0.384 55.119 55.803 -0.500 0.000 0.866 18 Q CB 0.439 28.837 28.738 -0.566 0.000 1.153 18 Q HN 0.571 nan 8.270 nan 0.000 0.530 19 F N 0.315 120.175 119.950 -0.150 0.000 2.587 19 F HA 0.389 4.912 4.527 -0.007 0.000 0.319 19 F C 1.674 177.380 175.800 -0.157 0.000 1.253 19 F CA 1.774 59.688 58.000 -0.144 0.000 1.345 19 F CB 0.591 39.536 39.000 -0.092 0.000 1.172 19 F HN 0.561 nan 8.300 nan 0.000 0.588 20 G N -0.101 108.758 108.800 0.098 0.000 2.357 20 G HA2 0.274 4.229 3.960 -0.007 0.000 0.289 20 G HA3 0.274 4.229 3.960 -0.007 0.000 0.289 20 G C -2.021 172.818 174.900 -0.101 0.000 1.302 20 G CA -1.108 43.989 45.100 -0.006 0.000 0.936 20 G HN 0.583 nan 8.290 nan 0.000 0.513 21 L N -0.972 120.178 121.223 -0.122 0.000 2.250 21 L HA 0.616 4.951 4.340 -0.007 0.000 0.252 21 L C -0.652 175.961 176.870 -0.429 0.000 1.054 21 L CA -0.933 53.782 54.840 -0.209 0.000 0.856 21 L CB 2.343 44.462 42.059 0.100 0.000 1.443 21 L HN 0.571 nan 8.230 nan 0.000 0.427 22 F N 1.195 121.002 119.950 -0.239 0.000 2.375 22 F HA 0.156 4.679 4.527 -0.007 0.000 0.362 22 F C 0.520 175.966 175.800 -0.590 0.000 1.129 22 F CA -0.732 57.050 58.000 -0.362 0.000 1.154 22 F CB 1.383 40.301 39.000 -0.136 0.000 1.205 22 F HN 0.402 nan 8.300 nan 0.000 0.513 23 S N 5.441 120.968 115.700 -0.288 0.000 2.513 23 S HA 0.184 4.650 4.470 -0.007 0.000 0.276 23 S C -1.623 172.938 174.600 -0.064 0.000 1.254 23 S CA -1.403 56.549 58.200 -0.413 0.000 1.053 23 S CB 1.326 64.321 63.200 -0.342 0.000 0.958 23 S HN 0.449 nan 8.310 nan 0.000 0.491 24 P HA -0.200 nan 4.420 nan 0.000 0.216 24 P C 1.215 178.530 177.300 0.024 0.000 1.150 24 P CA 1.297 64.419 63.100 0.036 0.000 0.837 24 P CB 0.157 31.922 31.700 0.110 0.000 0.786 25 E N 0.207 120.461 120.200 0.090 0.000 2.239 25 E HA -0.282 4.064 4.350 -0.007 0.000 0.240 25 E C 2.120 178.744 176.600 0.040 0.000 1.079 25 E CA 2.490 58.948 56.400 0.095 0.000 0.991 25 E CB -0.559 29.240 29.700 0.164 0.000 0.863 25 E HN 0.359 nan 8.360 nan 0.000 0.491 26 E N -0.775 119.450 120.200 0.041 0.000 2.006 26 E HA -0.169 4.177 4.350 -0.007 0.000 0.192 26 E C 2.241 178.799 176.600 -0.071 0.000 0.993 26 E CA 1.310 57.728 56.400 0.031 0.000 0.808 26 E CB -0.138 29.644 29.700 0.136 0.000 0.764 26 E HN 0.129 nan 8.360 nan 0.000 0.449 27 V N 2.116 121.912 119.914 -0.198 0.000 2.295 27 V HA -0.378 3.738 4.120 -0.007 0.000 0.262 27 V C 2.319 178.314 176.094 -0.166 0.000 1.098 27 V CA 2.663 64.782 62.300 -0.301 0.000 1.095 27 V CB -1.009 30.636 31.823 -0.296 0.000 0.704 27 V HN 0.390 nan 8.190 nan 0.000 0.454 28 R N 0.265 120.679 120.500 -0.142 0.000 2.290 28 R HA 0.387 4.723 4.340 -0.007 0.000 0.197 28 R C 2.090 178.289 176.300 -0.168 0.000 0.913 28 R CA 0.865 56.802 56.100 -0.272 0.000 1.040 28 R CB -0.272 29.925 30.300 -0.173 0.000 0.992 28 R HN 0.427 nan 8.270 nan 0.000 0.500 29 A N 1.828 124.598 122.820 -0.084 0.000 1.929 29 A HA 0.006 4.322 4.320 -0.007 0.000 0.216 29 A C 1.994 179.551 177.584 -0.044 0.000 1.176 29 A CA 0.814 52.827 52.037 -0.040 0.000 0.628 29 A CB -0.231 18.774 19.000 0.009 0.000 0.816 29 A HN 0.338 nan 8.150 nan 0.000 0.444 30 I N -0.353 120.185 120.570 -0.052 0.000 3.427 30 I HA -0.006 4.159 4.170 -0.007 0.000 0.288 30 I C 1.536 177.657 176.117 0.006 0.000 1.249 30 I CA 0.632 61.924 61.300 -0.013 0.000 1.421 30 I CB 0.041 38.039 38.000 -0.005 0.000 1.086 30 I HN 0.447 nan 8.210 nan 0.000 0.448 31 S N -0.492 115.167 115.700 -0.070 0.000 2.652 31 S HA 0.257 4.723 4.470 -0.007 0.000 0.267 31 S C 0.713 175.289 174.600 -0.040 0.000 1.201 31 S CA 0.293 58.465 58.200 -0.046 0.000 0.996 31 S CB 1.777 64.915 63.200 -0.103 0.000 1.054 31 S HN 0.167 nan 8.310 nan 0.000 0.561 32 V N -3.181 116.740 119.914 0.011 0.000 3.103 32 V HA 0.445 4.561 4.120 -0.007 0.000 0.250 32 V C 0.989 177.140 176.094 0.094 0.000 1.749 32 V CA 0.053 62.384 62.300 0.052 0.000 1.013 32 V CB -1.195 30.689 31.823 0.100 0.000 0.930 32 V HN 1.006 nan 8.190 nan 0.000 0.384 33 A N 0.658 123.571 122.820 0.156 0.000 2.495 33 A HA 0.784 5.100 4.320 -0.007 0.000 0.260 33 A C 0.997 178.836 177.584 0.425 0.000 1.608 33 A CA 1.203 53.374 52.037 0.223 0.000 0.834 33 A CB 0.893 19.993 19.000 0.168 0.000 1.526 33 A HN 0.409 nan 8.150 nan 0.000 0.578 34 K N -3.643 116.926 120.400 0.281 0.000 2.655 34 K HA 0.072 4.388 4.320 -0.007 0.000 0.239 34 K C -0.940 175.642 176.600 -0.030 0.000 2.785 34 K CA 0.294 56.681 56.287 0.167 0.000 1.462 34 K CB 0.089 32.672 32.500 0.139 0.000 3.026 34 K HN 0.636 nan 8.250 nan 0.000 0.359 35 I N 2.309 122.891 120.570 0.019 0.000 6.296 35 I HA -0.267 3.899 4.170 -0.007 0.000 0.126 35 I C 0.418 176.545 176.117 0.017 0.000 1.823 35 I CA 0.782 62.081 61.300 -0.001 0.000 2.040 35 I CB -1.880 36.068 38.000 -0.085 0.000 3.466 35 I HN 0.451 nan 8.210 nan 0.000 0.170 36 R N 0.090 120.663 120.500 0.122 0.000 2.193 36 R HA 0.123 4.459 4.340 -0.007 0.000 0.213 36 R C 0.283 176.578 176.300 -0.008 0.000 1.055 36 R CA 1.073 57.205 56.100 0.053 0.000 0.995 36 R CB 0.193 30.525 30.300 0.054 0.000 0.893 36 R HN 0.236 nan 8.270 nan 0.000 0.459 37 F N 0.147 120.067 119.950 -0.050 0.000 2.538 37 F HA 0.328 4.851 4.527 -0.007 0.000 0.325 37 F C -1.656 174.108 175.800 -0.061 0.000 1.066 37 F CA -3.271 54.698 58.000 -0.052 0.000 0.946 37 F CB 1.234 40.209 39.000 -0.041 0.000 1.199 37 F HN -0.247 nan 8.300 nan 0.000 0.473 38 P HA 0.131 nan 4.420 nan 0.000 0.249 38 P C -0.708 176.589 177.300 -0.006 0.000 1.544 38 P CA 0.401 63.497 63.100 -0.006 0.000 0.932 38 P CB 0.190 31.861 31.700 -0.048 0.000 1.524 39 E N -1.236 118.983 120.200 0.033 0.000 2.396 39 E HA 0.405 4.751 4.350 -0.007 0.000 0.251 39 E C 0.743 177.348 176.600 0.008 0.000 0.949 39 E CA -0.596 55.808 56.400 0.007 0.000 0.834 39 E CB 0.679 30.389 29.700 0.017 0.000 1.309 39 E HN -0.251 nan 8.360 nan 0.000 0.405 40 T N -0.631 113.923 114.554 0.000 0.000 3.156 40 T HA 0.152 4.498 4.350 -0.007 0.000 0.236 40 T C 1.023 175.720 174.700 -0.005 0.000 0.978 40 T CA 0.550 62.653 62.100 0.004 0.000 1.240 40 T CB 0.169 69.047 68.868 0.016 0.000 0.951 40 T HN 0.311 nan 8.240 nan 0.000 0.420 41 M N -0.272 119.322 119.600 -0.010 0.000 2.010 41 M HA 0.284 4.760 4.480 -0.007 0.000 0.371 41 M C -0.904 175.379 176.300 -0.029 0.000 0.831 41 M CA -0.059 55.229 55.300 -0.021 0.000 1.161 41 M CB 1.418 34.007 32.600 -0.017 0.000 2.243 41 M HN -0.110 nan 8.290 nan 0.000 0.766 42 D N 3.928 124.314 120.400 -0.023 0.000 2.339 42 D HA 0.116 4.752 4.640 -0.007 0.000 0.241 42 D C -0.372 175.904 176.300 -0.040 0.000 1.183 42 D CA 0.206 54.190 54.000 -0.027 0.000 0.859 42 D CB 0.742 41.532 40.800 -0.016 0.000 1.067 42 D HN 0.373 nan 8.370 nan 0.000 0.484 43 E N 0.559 120.725 120.200 -0.057 0.000 2.174 43 E HA 0.168 4.513 4.350 -0.007 0.000 0.282 43 E C 0.061 176.633 176.600 -0.047 0.000 0.992 43 E CA -0.685 55.670 56.400 -0.075 0.000 0.803 43 E CB 0.460 30.090 29.700 -0.116 0.000 1.090 43 E HN 0.292 nan 8.360 nan 0.000 0.396 44 T N 2.165 116.697 114.554 -0.036 0.000 3.183 44 T HA -0.328 4.018 4.350 -0.007 0.000 0.399 44 T C 0.355 175.044 174.700 -0.019 0.000 0.771 44 T CA 1.455 63.541 62.100 -0.023 0.000 2.371 44 T CB -1.797 67.059 68.868 -0.021 0.000 1.595 44 T HN 0.904 nan 8.240 nan 0.000 0.553 45 Q N -3.306 116.484 119.800 -0.017 0.000 2.340 45 Q HA -0.170 4.166 4.340 -0.007 0.000 0.174 45 Q C 0.393 176.383 176.000 -0.016 0.000 0.585 45 Q CA 1.566 57.361 55.803 -0.013 0.000 1.358 45 Q CB -2.686 26.048 28.738 -0.008 0.000 1.286 45 Q HN 0.697 nan 8.270 nan 0.000 0.940 46 T N 1.974 116.515 114.554 -0.023 0.000 2.738 46 T HA 0.122 4.468 4.350 -0.007 0.000 0.277 46 T C 0.120 174.804 174.700 -0.027 0.000 0.981 46 T CA 0.367 62.450 62.100 -0.027 0.000 1.211 46 T CB 0.112 68.957 68.868 -0.038 0.000 0.932 46 T HN 0.125 nan 8.240 nan 0.000 0.522 47 R N 2.441 122.928 120.500 -0.022 0.000 2.229 47 R HA 0.662 4.998 4.340 -0.007 0.000 0.328 47 R C 0.359 176.646 176.300 -0.021 0.000 1.009 47 R CA 0.071 56.160 56.100 -0.020 0.000 0.864 47 R CB 0.999 31.290 30.300 -0.015 0.000 1.085 47 R HN 0.829 nan 8.270 nan 0.000 0.453 48 A N 2.334 125.140 122.820 -0.023 0.000 5.201 48 A HA 0.201 4.517 4.320 -0.007 0.000 0.182 48 A C -1.072 176.496 177.584 -0.026 0.000 0.975 48 A CA -0.724 51.299 52.037 -0.024 0.000 0.842 48 A CB 0.339 19.323 19.000 -0.027 0.000 1.983 48 A HN 0.478 nan 8.150 nan 0.000 0.986 49 K N -0.759 119.623 120.400 -0.031 0.000 2.989 49 K HA 0.833 5.149 4.320 -0.007 0.000 0.260 49 K C -0.605 175.971 176.600 -0.040 0.000 0.982 49 K CA 0.226 56.496 56.287 -0.028 0.000 1.553 49 K CB 0.447 32.934 32.500 -0.021 0.000 3.152 49 K HN 1.052 nan 8.250 nan 0.000 0.970 50 I N -3.264 117.285 120.570 -0.036 0.000 2.746 50 I HA 0.134 4.300 4.170 -0.007 0.000 0.290 50 I C 0.757 176.847 176.117 -0.044 0.000 1.600 50 I CA -0.960 60.303 61.300 -0.062 0.000 1.019 50 I CB 1.393 39.319 38.000 -0.123 0.000 1.426 50 I HN 0.617 nan 8.210 nan 0.000 0.460 51 G N 2.885 111.642 108.800 -0.071 0.000 2.950 51 G HA2 -0.219 3.736 3.960 -0.007 0.000 0.225 51 G HA3 -0.219 3.736 3.960 -0.007 0.000 0.225 51 G C 0.888 175.838 174.900 0.084 0.000 1.069 51 G CA 1.453 46.545 45.100 -0.013 0.000 0.716 51 G HN 1.058 nan 8.290 nan 0.000 0.644 52 G N -0.236 108.611 108.800 0.078 0.000 3.078 52 G HA2 0.406 4.362 3.960 -0.007 0.000 0.163 52 G HA3 0.406 4.362 3.960 -0.007 0.000 0.163 52 G C 0.548 175.499 174.900 0.085 0.000 1.894 52 G CA -0.219 44.990 45.100 0.182 0.000 0.951 52 G HN 0.328 nan 8.290 nan 0.000 0.446 53 L N 0.294 121.543 121.223 0.044 0.000 2.488 53 L HA 0.166 4.502 4.340 -0.007 0.000 0.249 53 L C 1.173 178.042 176.870 -0.001 0.000 1.151 53 L CA 0.032 54.877 54.840 0.007 0.000 0.806 53 L CB 0.348 42.406 42.059 -0.002 0.000 1.261 53 L HN 0.694 nan 8.230 nan 0.000 0.484 54 N N 1.246 119.936 118.700 -0.016 0.000 2.693 54 N HA -0.298 4.438 4.740 -0.007 0.000 0.250 54 N C -0.110 175.389 175.510 -0.018 0.000 1.033 54 N CA 1.621 54.657 53.050 -0.023 0.000 0.747 54 N CB -0.834 37.642 38.487 -0.019 0.000 0.964 54 N HN 0.962 nan 8.380 nan 0.000 0.540 55 D N -3.378 117.017 120.400 -0.009 0.000 1.729 55 D HA -0.020 4.616 4.640 -0.007 0.000 0.797 55 D C -1.881 174.433 176.300 0.024 0.000 0.500 55 D CA 0.513 54.513 54.000 0.000 0.000 1.326 55 D CB -1.059 39.740 40.800 -0.001 0.000 1.139 55 D HN 0.201 nan 8.370 nan 0.000 0.378 56 P HA -0.189 nan 4.420 nan 0.000 0.222 56 P C 0.001 177.330 177.300 0.049 0.000 1.143 56 P CA 1.770 64.892 63.100 0.038 0.000 0.803 56 P CB -0.247 31.477 31.700 0.039 0.000 0.746 57 R N -5.243 115.295 120.500 0.063 0.000 2.346 57 R HA 0.215 4.550 4.340 -0.007 0.000 0.145 57 R C -0.228 176.168 176.300 0.161 0.000 0.557 57 R CA -0.191 55.959 56.100 0.084 0.000 0.789 57 R CB -1.236 29.102 30.300 0.063 0.000 1.270 57 R HN 0.021 nan 8.270 nan 0.000 0.505 58 L N 1.790 123.078 121.223 0.109 0.000 2.319 58 L HA 0.495 4.831 4.340 -0.007 0.000 0.280 58 L C 1.374 178.244 176.870 0.001 0.000 1.099 58 L CA 0.009 54.868 54.840 0.032 0.000 0.828 58 L CB 0.725 42.749 42.059 -0.059 0.000 1.150 58 L HN 0.405 nan 8.230 nan 0.000 0.442 59 G N 2.895 111.676 108.800 -0.032 0.000 3.862 59 G HA2 -0.070 3.886 3.960 -0.007 0.000 0.886 59 G HA3 -0.070 3.886 3.960 -0.007 0.000 0.886 59 G C 0.369 175.266 174.900 -0.004 0.000 1.311 59 G CA 0.223 45.328 45.100 0.008 0.000 1.264 59 G HN 0.729 nan 8.290 nan 0.000 0.784 60 S N -1.433 114.265 115.700 -0.003 0.000 3.986 60 S HA 0.704 5.170 4.470 -0.007 0.000 0.228 60 S C 0.928 175.516 174.600 -0.020 0.000 1.044 60 S CA -0.213 57.981 58.200 -0.010 0.000 1.556 60 S CB 0.793 63.993 63.200 -0.001 0.000 1.056 60 S HN 0.503 nan 8.310 nan 0.000 0.715 61 I N 0.101 120.662 120.570 -0.016 0.000 4.199 61 I HA 0.269 4.435 4.170 -0.007 0.000 0.258 61 I C -0.395 175.712 176.117 -0.017 0.000 0.703 61 I CA -0.528 60.760 61.300 -0.020 0.000 2.772 61 I CB -0.142 37.845 38.000 -0.022 0.000 1.497 61 I HN 0.345 nan 8.210 nan 0.000 0.518 62 D N 3.297 123.687 120.400 -0.016 0.000 4.684 62 D HA -0.151 4.485 4.640 -0.007 0.000 0.218 62 D C -0.054 176.239 176.300 -0.011 0.000 1.032 62 D CA 0.522 54.513 54.000 -0.014 0.000 1.629 62 D CB -0.448 40.344 40.800 -0.012 0.000 1.304 62 D HN 0.194 nan 8.370 nan 0.000 0.644 63 R N 0.422 120.914 120.500 -0.013 0.000 1.746 63 R HA -0.241 4.095 4.340 -0.007 0.000 0.183 63 R C -0.142 176.155 176.300 -0.005 0.000 0.558 63 R CA 0.416 56.510 56.100 -0.010 0.000 0.355 63 R CB -1.595 28.699 30.300 -0.011 0.000 1.539 63 R HN 0.343 nan 8.270 nan 0.000 0.566 64 N N -0.175 118.523 118.700 -0.003 0.000 2.405 64 N HA 0.255 4.991 4.740 -0.007 0.000 0.299 64 N C 0.703 176.219 175.510 0.009 0.000 1.075 64 N CA -0.678 52.373 53.050 0.001 0.000 0.884 64 N CB 1.009 39.495 38.487 -0.002 0.000 1.194 64 N HN 0.125 nan 8.380 nan 0.000 0.491 65 L N 0.974 122.203 121.223 0.010 0.000 2.650 65 L HA 0.139 4.475 4.340 -0.007 0.000 0.235 65 L C 0.687 177.574 176.870 0.028 0.000 1.149 65 L CA 0.499 55.349 54.840 0.018 0.000 0.887 65 L CB -0.483 41.583 42.059 0.011 0.000 1.021 65 L HN 0.306 nan 8.230 nan 0.000 0.441 66 K N 0.943 121.358 120.400 0.025 0.000 3.233 66 K HA 0.092 4.407 4.320 -0.007 0.000 0.283 66 K C -0.082 176.546 176.600 0.047 0.000 1.209 66 K CA 0.045 56.348 56.287 0.027 0.000 1.197 66 K CB -0.274 32.234 32.500 0.013 0.000 1.431 66 K HN 0.197 nan 8.250 nan 0.000 0.326 67 c N 3.126 121.766 118.600 0.065 0.000 2.565 67 c HA 0.053 4.619 4.570 -0.007 0.000 0.451 67 c C -0.426 173.683 174.090 0.031 0.000 1.301 67 c CA -0.662 55.744 56.329 0.129 0.000 1.638 67 c CB -1.929 40.706 42.510 0.209 0.000 2.236 67 c HN 0.748 nan 8.230 nan 0.000 0.603 68 Q N 0.233 120.044 119.800 0.018 0.000 2.527 68 Q HA -0.214 4.122 4.340 -0.007 0.000 0.239 68 Q C 0.491 176.461 176.000 -0.051 0.000 1.336 68 Q CA 1.382 57.174 55.803 -0.019 0.000 0.764 68 Q CB -2.686 26.038 28.738 -0.024 0.000 0.859 68 Q HN 0.869 nan 8.270 nan 0.000 0.306 69 T N -0.982 113.555 114.554 -0.029 0.000 8.104 69 T HA -0.422 3.924 4.350 -0.007 0.000 0.398 69 T C 1.427 176.110 174.700 -0.028 0.000 1.385 69 T CA 1.481 63.567 62.100 -0.024 0.000 2.459 69 T CB -1.769 67.089 68.868 -0.016 0.000 2.970 69 T HN 0.928 nan 8.240 nan 0.000 1.308 70 C N 0.916 120.192 119.300 -0.040 0.000 2.476 70 C HA -0.095 4.361 4.460 -0.007 0.000 0.278 70 C C 2.244 177.233 174.990 -0.001 0.000 1.274 70 C CA 1.734 60.727 59.018 -0.041 0.000 1.713 70 C CB -1.094 26.596 27.740 -0.083 0.000 2.039 70 C HN 0.909 nan 8.230 nan 0.000 0.484 71 Q N -0.539 119.268 119.800 0.011 0.000 1.949 71 Q HA -0.387 3.949 4.340 -0.007 0.000 0.274 71 Q C 1.202 177.221 176.000 0.031 0.000 2.541 71 Q CA 2.019 57.833 55.803 0.018 0.000 0.674 71 Q CB -1.703 27.041 28.738 0.009 0.000 1.303 71 Q HN 0.443 nan 8.270 nan 0.000 0.598 72 E N 1.752 121.968 120.200 0.026 0.000 2.629 72 E HA -0.348 3.998 4.350 -0.007 0.000 0.258 72 E C 1.258 177.874 176.600 0.027 0.000 1.151 72 E CA 2.546 58.962 56.400 0.026 0.000 1.248 72 E CB -1.104 28.613 29.700 0.027 0.000 1.073 72 E HN 0.908 nan 8.360 nan 0.000 0.437 73 G N -0.201 108.624 108.800 0.041 0.000 2.693 73 G HA2 -0.313 3.642 3.960 -0.007 0.000 0.226 73 G HA3 -0.313 3.642 3.960 -0.007 0.000 0.226 73 G C 0.593 175.507 174.900 0.023 0.000 1.354 73 G CA 0.465 45.586 45.100 0.035 0.000 0.873 73 G HN 0.295 nan 8.290 nan 0.000 0.562 74 M N 0.175 119.782 119.600 0.012 0.000 2.886 74 M HA 0.235 4.711 4.480 -0.007 0.000 0.199 74 M C 0.605 176.905 176.300 -0.001 0.000 1.044 74 M CA 1.583 56.884 55.300 0.002 0.000 1.095 74 M CB -0.418 32.177 32.600 -0.008 0.000 1.746 74 M HN 0.525 nan 8.290 nan 0.000 0.491 75 N N 1.340 120.043 118.700 0.005 0.000 3.153 75 N HA 0.069 4.805 4.740 -0.007 0.000 0.208 75 N C -0.474 175.042 175.510 0.009 0.000 1.462 75 N CA 0.324 53.375 53.050 0.001 0.000 0.754 75 N CB 0.787 39.270 38.487 -0.006 0.000 1.558 75 N HN 0.429 nan 8.380 nan 0.000 0.605 76 E N 0.297 120.507 120.200 0.016 0.000 4.196 76 E HA -0.105 4.241 4.350 -0.007 0.000 0.433 76 E C -1.530 175.098 176.600 0.045 0.000 0.504 76 E CA 0.198 56.615 56.400 0.028 0.000 1.507 76 E CB -1.545 28.172 29.700 0.028 0.000 2.005 76 E HN 0.397 nan 8.360 nan 0.000 0.284 77 c N 2.993 121.619 118.600 0.043 0.000 2.325 77 c HA 0.638 5.204 4.570 -0.007 0.000 0.347 77 c C -2.167 171.949 174.090 0.044 0.000 1.263 77 c CA -1.493 54.882 56.329 0.076 0.000 1.806 77 c CB -0.281 42.273 42.510 0.074 0.000 2.405 77 c HN 0.222 nan 8.230 nan 0.000 0.537 78 P HA 0.230 nan 4.420 nan 0.000 0.276 78 P C 0.231 177.542 177.300 0.018 0.000 1.243 78 P CA 0.523 63.663 63.100 0.067 0.000 0.768 78 P CB 0.574 32.340 31.700 0.112 0.000 0.856 79 G N 3.089 111.862 108.800 -0.044 0.000 2.630 79 G HA2 0.137 4.093 3.960 -0.007 0.000 0.236 79 G HA3 0.137 4.093 3.960 -0.007 0.000 0.236 79 G C -0.401 174.344 174.900 -0.258 0.000 1.248 79 G CA -0.353 44.626 45.100 -0.202 0.000 0.844 79 G HN 0.601 nan 8.290 nan 0.000 0.588 80 H N -0.433 118.662 119.070 0.043 0.000 2.529 80 H HA 0.444 4.995 4.556 -0.007 0.000 0.348 80 H C -1.183 174.194 175.328 0.081 0.000 1.152 80 H CA -1.209 54.898 56.048 0.097 0.000 1.202 80 H CB 1.239 31.047 29.762 0.076 0.000 1.562 80 H HN 0.256 nan 8.280 nan 0.000 0.515 81 F N 1.121 121.122 119.950 0.085 0.000 2.412 81 F HA 0.358 4.881 4.527 -0.007 0.000 0.348 81 F C 1.321 177.156 175.800 0.060 0.000 1.102 81 F CA 0.542 58.571 58.000 0.048 0.000 1.196 81 F CB 1.185 40.210 39.000 0.042 0.000 1.144 81 F HN 0.753 nan 8.300 nan 0.000 0.541 82 G N 1.497 110.313 108.800 0.028 0.000 2.525 82 G HA2 0.451 4.407 3.960 -0.007 0.000 0.287 82 G HA3 0.451 4.407 3.960 -0.007 0.000 0.287 82 G C -1.656 173.387 174.900 0.238 0.000 1.350 82 G CA -0.246 44.900 45.100 0.078 0.000 1.039 82 G HN 0.919 nan 8.290 nan 0.000 0.513 83 H N -1.997 117.080 119.070 0.012 0.000 3.057 83 H HA 0.449 5.001 4.556 -0.007 0.000 0.295 83 H C -1.839 173.476 175.328 -0.022 0.000 1.131 83 H CA -0.942 55.110 56.048 0.006 0.000 1.560 83 H CB 0.815 30.585 29.762 0.015 0.000 2.108 83 H HN 0.859 nan 8.280 nan 0.000 0.487 84 I N 3.538 123.764 120.570 -0.574 0.000 2.715 84 I HA 0.248 4.414 4.170 -0.007 0.000 0.288 84 I C -1.392 174.552 176.117 -0.289 0.000 1.371 84 I CA -0.370 60.586 61.300 -0.573 0.000 1.056 84 I CB 2.044 39.848 38.000 -0.327 0.000 1.339 84 I HN 0.872 nan 8.210 nan 0.000 0.425 85 D N 7.497 127.749 120.400 -0.246 0.000 2.487 85 D HA 0.280 4.916 4.640 -0.007 0.000 0.243 85 D C 0.484 176.731 176.300 -0.089 0.000 1.154 85 D CA 0.462 54.403 54.000 -0.098 0.000 0.876 85 D CB 1.276 42.043 40.800 -0.055 0.000 1.161 85 D HN 0.459 nan 8.370 nan 0.000 0.478 86 L N 1.430 122.621 121.223 -0.055 0.000 2.812 86 L HA 0.530 4.865 4.340 -0.007 0.000 0.172 86 L C 1.453 178.301 176.870 -0.036 0.000 1.892 86 L CA -0.479 54.329 54.840 -0.052 0.000 2.525 86 L CB -0.104 41.933 42.059 -0.037 0.000 2.930 86 L HN 0.414 nan 8.230 nan 0.000 0.625 87 A N -0.826 121.980 122.820 -0.023 0.000 2.538 87 A HA 0.299 4.615 4.320 -0.007 0.000 0.214 87 A C 0.182 177.767 177.584 0.002 0.000 2.355 87 A CA -0.081 51.949 52.037 -0.012 0.000 1.493 87 A CB 0.018 19.013 19.000 -0.008 0.000 1.143 87 A HN 0.393 nan 8.150 nan 0.000 0.452 88 K N 1.715 122.116 120.400 0.001 0.000 2.219 88 K HA 0.309 4.625 4.320 -0.007 0.000 0.280 88 K C -2.434 174.149 176.600 -0.029 0.000 1.104 88 K CA -1.785 54.500 56.287 -0.003 0.000 0.925 88 K CB 0.196 32.699 32.500 0.005 0.000 1.261 88 K HN 0.182 nan 8.250 nan 0.000 0.445 89 P HA -0.230 nan 4.420 nan 0.000 0.276 89 P C -0.659 176.559 177.300 -0.137 0.000 1.202 89 P CA 0.455 63.519 63.100 -0.060 0.000 0.786 89 P CB 0.433 32.095 31.700 -0.064 0.000 0.782 90 V N 0.837 120.665 119.914 -0.145 0.000 3.147 90 V HA 0.369 4.484 4.120 -0.007 0.000 0.306 90 V C 0.413 176.387 176.094 -0.201 0.000 1.209 90 V CA -0.643 61.520 62.300 -0.229 0.000 1.023 90 V CB 1.534 33.329 31.823 -0.047 0.000 1.059 90 V HN 0.332 nan 8.190 nan 0.000 0.435 91 F N 0.553 120.588 119.950 0.142 0.000 2.228 91 F HA 0.367 4.890 4.527 -0.007 0.000 0.280 91 F C 1.008 176.943 175.800 0.225 0.000 1.235 91 F CA 0.458 58.569 58.000 0.185 0.000 1.235 91 F CB 0.062 39.155 39.000 0.154 0.000 1.506 91 F HN 0.741 nan 8.300 nan 0.000 0.502 92 H N -1.475 117.778 119.070 0.306 0.000 3.212 92 H HA 0.262 4.814 4.556 -0.007 0.000 0.214 92 H C 0.256 175.621 175.328 0.062 0.000 1.287 92 H CA -0.344 55.789 56.048 0.142 0.000 1.391 92 H CB -0.050 29.803 29.762 0.151 0.000 2.270 92 H HN 0.415 nan 8.280 nan 0.000 0.582 93 V N 0.290 120.376 119.914 0.287 0.000 2.147 93 V HA -0.452 3.664 4.120 -0.007 0.000 0.161 93 V C 2.175 178.285 176.094 0.026 0.000 1.510 93 V CA 2.391 64.770 62.300 0.131 0.000 1.856 93 V CB -1.570 30.295 31.823 0.070 0.000 1.164 93 V HN 0.725 nan 8.190 nan 0.000 0.570 94 G N -2.435 106.243 108.800 -0.203 0.000 3.262 94 G HA2 0.331 4.287 3.960 -0.007 0.000 0.228 94 G HA3 0.331 4.287 3.960 -0.007 0.000 0.228 94 G C 0.793 175.736 174.900 0.071 0.000 1.197 94 G CA 0.405 45.359 45.100 -0.243 0.000 0.819 94 G HN 0.614 nan 8.290 nan 0.000 0.531 95 F N -0.862 118.919 119.950 -0.283 0.000 2.784 95 F HA 0.304 4.827 4.527 -0.007 0.000 0.323 95 F C 2.030 177.786 175.800 -0.072 0.000 1.085 95 F CA -0.618 57.238 58.000 -0.239 0.000 1.196 95 F CB 0.563 39.329 39.000 -0.390 0.000 1.053 95 F HN 0.000 nan 8.300 nan 0.000 0.578 96 I N 0.958 121.617 120.570 0.148 0.000 2.091 96 I HA -0.324 3.842 4.170 -0.007 0.000 0.239 96 I C 2.464 178.607 176.117 0.044 0.000 1.061 96 I CA 2.037 63.387 61.300 0.082 0.000 1.317 96 I CB -0.786 37.220 38.000 0.011 0.000 1.031 96 I HN 0.063 nan 8.210 nan 0.000 0.401 97 A N -0.440 122.397 122.820 0.028 0.000 2.235 97 A HA -0.091 4.225 4.320 -0.007 0.000 0.208 97 A C 2.168 179.747 177.584 -0.008 0.000 1.172 97 A CA 0.559 52.608 52.037 0.019 0.000 0.786 97 A CB -0.193 18.817 19.000 0.017 0.000 0.804 97 A HN 0.353 nan 8.150 nan 0.000 0.479 98 K N -0.145 120.211 120.400 -0.074 0.000 2.165 98 K HA 0.145 4.460 4.320 -0.007 0.000 0.213 98 K C 1.597 178.187 176.600 -0.016 0.000 1.036 98 K CA 0.795 56.998 56.287 -0.140 0.000 0.981 98 K CB -0.402 31.876 32.500 -0.370 0.000 1.059 98 K HN 0.326 nan 8.250 nan 0.000 0.457 99 I N 1.765 122.314 120.570 -0.034 0.000 2.539 99 I HA -0.508 3.658 4.170 -0.007 0.000 0.242 99 I C 2.446 178.684 176.117 0.201 0.000 0.926 99 I CA 1.848 63.247 61.300 0.166 0.000 1.279 99 I CB -0.730 37.407 38.000 0.228 0.000 0.975 99 I HN 0.391 nan 8.210 nan 0.000 0.420 100 K N 1.532 122.017 120.400 0.141 0.000 2.002 100 K HA -0.192 4.124 4.320 -0.007 0.000 0.209 100 K C 2.163 178.932 176.600 0.281 0.000 1.048 100 K CA 1.653 58.035 56.287 0.159 0.000 0.930 100 K CB -0.065 32.510 32.500 0.126 0.000 0.714 100 K HN 0.325 nan 8.250 nan 0.000 0.438 101 K N 0.510 121.124 120.400 0.357 0.000 2.103 101 K HA -0.119 4.197 4.320 -0.007 0.000 0.207 101 K C 1.813 178.778 176.600 0.608 0.000 1.048 101 K CA 1.591 58.269 56.287 0.652 0.000 0.930 101 K CB -0.180 32.442 32.500 0.204 0.000 0.716 101 K HN 0.120 nan 8.250 nan 0.000 0.444 102 V N -0.141 120.071 119.914 0.497 0.000 3.186 102 V HA -0.237 3.879 4.120 -0.007 0.000 0.270 102 V C 1.897 178.231 176.094 0.402 0.000 1.149 102 V CA 1.104 63.719 62.300 0.526 0.000 1.160 102 V CB -1.145 31.014 31.823 0.559 0.000 0.758 102 V HN 0.334 nan 8.190 nan 0.000 0.516 103 C N -0.811 118.673 119.300 0.305 0.000 2.463 103 C HA 0.121 4.577 4.460 -0.007 0.000 0.322 103 C C 2.160 177.208 174.990 0.097 0.000 1.556 103 C CA -0.080 59.035 59.018 0.161 0.000 2.225 103 C CB -0.366 27.434 27.740 0.100 0.000 1.995 103 C HN 0.483 nan 8.230 nan 0.000 0.678 104 E N -0.241 120.013 120.200 0.089 0.000 2.459 104 E HA -0.313 4.033 4.350 -0.007 0.000 0.212 104 E C 1.241 177.806 176.600 -0.058 0.000 1.172 104 E CA 0.875 57.252 56.400 -0.038 0.000 0.955 104 E CB -0.312 29.372 29.700 -0.026 0.000 0.926 104 E HN 0.731 nan 8.360 nan 0.000 0.644 105 C N -1.310 118.025 119.300 0.058 0.000 4.498 105 C HA 0.179 4.634 4.460 -0.007 0.000 0.505 105 C C 0.648 175.677 174.990 0.065 0.000 1.553 105 C CA -0.362 58.690 59.018 0.057 0.000 2.306 105 C CB 0.408 28.235 27.740 0.145 0.000 3.422 105 C HN 0.041 nan 8.230 nan 0.000 0.612 106 V N 1.225 121.198 119.914 0.098 0.000 3.193 106 V HA 0.650 4.766 4.120 -0.007 0.000 0.320 106 V C -0.131 175.978 176.094 0.026 0.000 1.112 106 V CA -0.198 62.150 62.300 0.080 0.000 1.026 106 V CB 1.772 33.666 31.823 0.118 0.000 1.128 106 V HN 0.593 nan 8.190 nan 0.000 0.452 107 C N 3.350 122.655 119.300 0.007 0.000 2.626 107 C HA 0.736 5.192 4.460 -0.007 0.000 0.310 107 C C -0.355 174.604 174.990 -0.052 0.000 1.191 107 C CA -1.308 57.697 59.018 -0.022 0.000 1.517 107 C CB 0.855 28.594 27.740 -0.003 0.000 2.102 107 C HN 0.813 nan 8.230 nan 0.000 0.479 108 M N 5.315 124.847 119.600 -0.114 0.000 2.104 108 M HA -0.075 4.401 4.480 -0.007 0.000 0.509 108 M C 1.315 177.515 176.300 -0.166 0.000 1.057 108 M CA 1.715 56.864 55.300 -0.251 0.000 0.554 108 M CB -1.772 30.707 32.600 -0.202 0.000 1.868 108 M HN 1.165 nan 8.290 nan 0.000 0.582 109 H N -0.235 118.858 119.070 0.038 0.000 5.117 109 H HA -0.293 4.259 4.556 -0.007 0.000 0.074 109 H C 1.443 176.789 175.328 0.030 0.000 0.550 109 H CA 2.558 58.624 56.048 0.030 0.000 1.091 109 H CB -1.641 28.136 29.762 0.025 0.000 0.520 109 H HN 0.960 nan 8.280 nan 0.000 0.712 110 C N 0.306 119.663 119.300 0.095 0.000 2.689 110 C HA 0.654 5.110 4.460 -0.007 0.000 0.336 110 C C 1.569 176.588 174.990 0.048 0.000 1.304 110 C CA 0.739 59.796 59.018 0.065 0.000 1.860 110 C CB -0.020 27.743 27.740 0.038 0.000 2.405 110 C HN 1.239 nan 8.230 nan 0.000 0.557 111 G N 1.850 110.664 108.800 0.024 0.000 2.684 111 G HA2 -0.060 3.896 3.960 -0.007 0.000 0.229 111 G HA3 -0.060 3.896 3.960 -0.007 0.000 0.229 111 G C -0.736 174.180 174.900 0.027 0.000 0.927 111 G CA 0.409 45.519 45.100 0.017 0.000 1.147 111 G HN 0.925 nan 8.290 nan 0.000 0.402 112 K N 1.720 122.136 120.400 0.027 0.000 2.533 112 K HA 0.569 4.885 4.320 -0.007 0.000 0.272 112 K C 0.533 177.153 176.600 0.034 0.000 0.985 112 K CA -1.233 55.068 56.287 0.024 0.000 0.876 112 K CB 1.622 34.134 32.500 0.020 0.000 1.452 112 K HN 0.370 nan 8.250 nan 0.000 0.439 113 L N 3.139 124.384 121.223 0.036 0.000 2.559 113 L HA -0.073 4.263 4.340 -0.007 0.000 0.282 113 L C 0.373 177.261 176.870 0.032 0.000 1.232 113 L CA 0.338 55.202 54.840 0.039 0.000 0.885 113 L CB 0.184 42.266 42.059 0.038 0.000 1.131 113 L HN 0.482 nan 8.230 nan 0.000 0.498 114 L N 5.009 126.246 121.223 0.024 0.000 3.094 114 L HA 0.445 4.781 4.340 -0.007 0.000 0.254 114 L C -0.798 176.085 176.870 0.021 0.000 1.298 114 L CA -0.067 54.785 54.840 0.020 0.000 1.050 114 L CB -0.308 41.758 42.059 0.011 0.000 1.420 114 L HN 0.320 nan 8.230 nan 0.000 0.548 115 L N -1.416 119.825 121.223 0.029 0.000 2.795 115 L HA 0.510 4.846 4.340 -0.007 0.000 0.260 115 L C -1.382 175.513 176.870 0.042 0.000 0.935 115 L CA -0.431 54.429 54.840 0.033 0.000 0.985 115 L CB 1.684 43.751 42.059 0.013 0.000 1.433 115 L HN -0.021 nan 8.230 nan 0.000 0.447 116 D N 0.253 120.698 120.400 0.074 0.000 2.627 116 D HA 0.327 4.963 4.640 -0.007 0.000 0.259 116 D C 0.818 177.108 176.300 -0.018 0.000 1.164 116 D CA -0.479 53.554 54.000 0.055 0.000 1.087 116 D CB 1.520 42.418 40.800 0.163 0.000 1.217 116 D HN 0.562 nan 8.370 nan 0.000 0.630 117 E N -0.745 119.336 120.200 -0.199 0.000 2.114 117 E HA -0.270 4.075 4.350 -0.007 0.000 0.199 117 E C 1.687 178.155 176.600 -0.221 0.000 1.008 117 E CA 1.468 57.693 56.400 -0.292 0.000 0.810 117 E CB -0.079 29.362 29.700 -0.432 0.000 0.739 117 E HN 0.378 nan 8.360 nan 0.000 0.456 118 H N 0.370 119.443 119.070 0.005 0.000 2.355 118 H HA -0.117 4.435 4.556 -0.007 0.000 0.293 118 H C 1.016 176.346 175.328 0.003 0.000 1.060 118 H CA 1.104 57.154 56.048 0.004 0.000 1.167 118 H CB -0.946 28.817 29.762 0.003 0.000 1.376 118 H HN 0.099 nan 8.280 nan 0.000 0.549 119 N N 2.050 120.806 118.700 0.092 0.000 2.431 119 N HA -0.083 4.653 4.740 -0.007 0.000 0.265 119 N C 0.493 176.016 175.510 0.021 0.000 1.184 119 N CA 0.274 53.352 53.050 0.047 0.000 0.943 119 N CB 0.590 39.099 38.487 0.036 0.000 1.080 119 N HN 0.493 nan 8.380 nan 0.000 0.477 120 E N 4.034 124.245 120.200 0.019 0.000 2.370 120 E HA 0.062 4.407 4.350 -0.007 0.000 0.194 120 E C 0.632 177.238 176.600 0.009 0.000 1.057 120 E CA -0.073 56.333 56.400 0.011 0.000 1.011 120 E CB 0.205 29.911 29.700 0.010 0.000 1.132 120 E HN 0.604 nan 8.360 nan 0.000 0.450 121 L N 0.248 121.476 121.223 0.009 0.000 2.513 121 L HA 0.114 4.449 4.340 -0.007 0.000 0.222 121 L C 2.036 178.912 176.870 0.009 0.000 1.096 121 L CA 0.179 55.024 54.840 0.009 0.000 0.857 121 L CB 0.170 42.234 42.059 0.009 0.000 1.026 121 L HN 0.273 nan 8.230 nan 0.000 0.469 122 M N -0.521 119.084 119.600 0.007 0.000 2.216 122 M HA -0.024 4.452 4.480 -0.007 0.000 0.264 122 M C 2.164 178.464 176.300 0.001 0.000 1.080 122 M CA 1.493 56.796 55.300 0.005 0.000 1.153 122 M CB 0.007 32.610 32.600 0.005 0.000 1.356 122 M HN -0.077 nan 8.290 nan 0.000 0.432 123 R N 0.265 120.761 120.500 -0.007 0.000 2.171 123 R HA -0.210 4.126 4.340 -0.007 0.000 0.226 123 R C 1.995 178.295 176.300 0.000 0.000 1.113 123 R CA 2.503 58.595 56.100 -0.013 0.000 0.887 123 R CB -1.132 29.155 30.300 -0.021 0.000 0.830 123 R HN 0.493 nan 8.270 nan 0.000 0.432 124 Q N -0.622 119.181 119.800 0.004 0.000 2.168 124 Q HA -0.386 3.950 4.340 -0.007 0.000 0.369 124 Q C 2.030 178.039 176.000 0.015 0.000 1.020 124 Q CA 2.255 58.065 55.803 0.010 0.000 0.915 124 Q CB -0.787 27.959 28.738 0.012 0.000 0.948 124 Q HN 0.597 nan 8.270 nan 0.000 0.520 125 A N 0.308 123.138 122.820 0.018 0.000 2.183 125 A HA -0.236 4.080 4.320 -0.007 0.000 0.224 125 A C 1.926 179.527 177.584 0.028 0.000 1.169 125 A CA 2.219 54.270 52.037 0.024 0.000 0.674 125 A CB -1.113 17.901 19.000 0.024 0.000 0.812 125 A HN 0.477 nan 8.150 nan 0.000 0.481 126 L N -3.585 117.651 121.223 0.022 0.000 2.554 126 L HA 0.300 4.636 4.340 -0.007 0.000 0.226 126 L C 1.871 178.757 176.870 0.026 0.000 1.137 126 L CA 0.731 55.587 54.840 0.025 0.000 0.863 126 L CB -0.257 41.813 42.059 0.018 0.000 0.985 126 L HN 0.262 nan 8.230 nan 0.000 0.451 127 A N -0.183 122.650 122.820 0.022 0.000 2.545 127 A HA 0.354 4.670 4.320 -0.007 0.000 0.263 127 A C 0.687 178.286 177.584 0.025 0.000 1.202 127 A CA -0.453 51.598 52.037 0.023 0.000 0.959 127 A CB 0.005 19.015 19.000 0.018 0.000 1.124 127 A HN 0.236 nan 8.150 nan 0.000 0.543 128 I N 1.716 122.303 120.570 0.027 0.000 2.907 128 I HA -0.085 4.081 4.170 -0.007 0.000 0.285 128 I C 0.372 176.509 176.117 0.033 0.000 1.189 128 I CA 0.331 61.648 61.300 0.029 0.000 1.376 128 I CB 0.288 38.307 38.000 0.032 0.000 1.420 128 I HN 0.121 nan 8.210 nan 0.000 0.544 129 K N 7.373 127.790 120.400 0.028 0.000 2.046 129 K HA -0.046 4.269 4.320 -0.007 0.000 0.248 129 K C -0.647 175.971 176.600 0.029 0.000 1.123 129 K CA 0.790 57.094 56.287 0.027 0.000 1.145 129 K CB -0.282 32.232 32.500 0.023 0.000 1.028 129 K HN 0.619 nan 8.250 nan 0.000 0.354 130 D N 1.086 121.506 120.400 0.034 0.000 3.782 130 D HA -0.083 4.553 4.640 -0.007 0.000 0.118 130 D C 0.568 176.888 176.300 0.033 0.000 0.786 130 D CA 0.196 54.213 54.000 0.029 0.000 1.817 130 D CB -0.446 40.369 40.800 0.025 0.000 0.829 130 D HN 0.393 nan 8.370 nan 0.000 0.817 131 S N 0.927 116.649 115.700 0.037 0.000 1.997 131 S HA -0.410 4.056 4.470 -0.007 0.000 0.506 131 S C 1.794 176.433 174.600 0.064 0.000 0.944 131 S CA 1.626 59.859 58.200 0.054 0.000 3.123 131 S CB -0.411 62.800 63.200 0.017 0.000 2.202 131 S HN 0.565 nan 8.310 nan 0.000 0.542 132 K N 0.861 121.270 120.400 0.015 0.000 2.384 132 K HA -0.377 3.939 4.320 -0.007 0.000 0.197 132 K C 1.687 178.322 176.600 0.058 0.000 0.769 132 K CA 2.766 59.057 56.287 0.008 0.000 1.051 132 K CB -0.639 31.855 32.500 -0.010 0.000 1.156 132 K HN 0.593 nan 8.250 nan 0.000 0.594 133 K N 0.072 120.503 120.400 0.052 0.000 2.379 133 K HA 0.082 4.398 4.320 -0.007 0.000 0.194 133 K C 1.810 178.452 176.600 0.069 0.000 1.031 133 K CA 0.650 56.969 56.287 0.054 0.000 1.037 133 K CB -0.034 32.485 32.500 0.032 0.000 0.824 133 K HN 0.214 nan 8.250 nan 0.000 0.516 134 R N 0.519 121.068 120.500 0.082 0.000 2.097 134 R HA -0.088 4.248 4.340 -0.007 0.000 0.236 134 R C 1.701 178.055 176.300 0.091 0.000 1.135 134 R CA 1.849 58.000 56.100 0.084 0.000 0.934 134 R CB -0.360 30.010 30.300 0.116 0.000 0.846 134 R HN 0.355 nan 8.270 nan 0.000 0.431 135 F N -0.785 119.170 119.950 0.008 0.000 2.811 135 F HA 0.215 4.738 4.527 -0.007 0.000 0.301 135 F C 0.738 176.522 175.800 -0.026 0.000 1.151 135 F CA 0.496 58.505 58.000 0.014 0.000 1.412 135 F CB 0.436 39.438 39.000 0.004 0.000 1.113 135 F HN 0.064 nan 8.300 nan 0.000 0.579 136 A N -0.558 122.348 122.820 0.142 0.000 2.624 136 A HA 0.684 5.000 4.320 -0.007 0.000 0.287 136 A C 1.191 178.806 177.584 0.051 0.000 1.087 136 A CA 0.416 52.464 52.037 0.017 0.000 0.964 136 A CB -0.566 18.387 19.000 -0.077 0.000 1.231 136 A HN 0.368 nan 8.150 nan 0.000 0.551 137 A N 0.277 123.125 122.820 0.046 0.000 1.963 137 A HA 0.354 4.670 4.320 -0.007 0.000 0.211 137 A C 1.650 179.257 177.584 0.039 0.000 1.380 137 A CA 0.772 52.839 52.037 0.050 0.000 0.690 137 A CB -0.628 18.397 19.000 0.042 0.000 1.060 137 A HN 0.340 nan 8.150 nan 0.000 0.498 138 I N -1.944 118.615 120.570 -0.018 0.000 2.462 138 I HA -0.378 3.788 4.170 -0.007 0.000 0.188 138 I C 2.196 178.327 176.117 0.023 0.000 0.952 138 I CA 2.262 63.535 61.300 -0.044 0.000 1.299 138 I CB -0.733 37.185 38.000 -0.136 0.000 1.026 138 I HN 0.696 nan 8.210 nan 0.000 0.384 139 W N 1.342 122.439 121.300 -0.337 0.000 2.221 139 W HA -0.462 4.194 4.660 -0.007 0.000 0.357 139 W C 2.821 179.271 176.519 -0.115 0.000 1.538 139 W CA 3.574 60.780 57.345 -0.232 0.000 1.560 139 W CB -1.158 28.140 29.460 -0.269 0.000 1.021 139 W HN 0.368 nan 8.180 nan 0.000 0.470 140 T N 0.588 115.445 114.554 0.505 0.000 2.795 140 T HA -0.305 4.041 4.350 -0.007 0.000 0.266 140 T C 1.622 176.337 174.700 0.025 0.000 1.056 140 T CA 1.899 64.174 62.100 0.292 0.000 1.141 140 T CB -0.726 68.282 68.868 0.233 0.000 0.840 140 T HN 0.357 nan 8.240 nan 0.000 0.493 141 L N 0.078 121.316 121.223 0.026 0.000 2.341 141 L HA 0.099 4.435 4.340 -0.007 0.000 0.214 141 L C 0.788 177.610 176.870 -0.080 0.000 1.115 141 L CA 0.411 55.235 54.840 -0.027 0.000 0.820 141 L CB -0.057 41.999 42.059 -0.005 0.000 0.944 141 L HN 0.417 nan 8.230 nan 0.000 0.452 142 C N -1.014 118.207 119.300 -0.131 0.000 3.114 142 C HA 0.238 4.694 4.460 -0.007 0.000 0.215 142 C C 1.416 176.262 174.990 -0.239 0.000 1.759 142 C CA -0.952 57.985 59.018 -0.135 0.000 1.455 142 C CB -0.732 26.955 27.740 -0.089 0.000 2.528 142 C HN 0.397 nan 8.230 nan 0.000 0.511 143 K N -0.186 120.002 120.400 -0.354 0.000 2.262 143 K HA 0.124 4.440 4.320 -0.007 0.000 0.200 143 K C 1.465 177.868 176.600 -0.328 0.000 1.058 143 K CA 1.021 56.988 56.287 -0.532 0.000 0.974 143 K CB -0.579 31.265 32.500 -1.093 0.000 0.910 143 K HN 0.139 nan 8.250 nan 0.000 0.484 144 T N 1.128 115.529 114.554 -0.256 0.000 2.770 144 T HA 0.005 4.351 4.350 -0.007 0.000 0.263 144 T C 0.527 175.157 174.700 -0.116 0.000 1.039 144 T CA 0.652 62.656 62.100 -0.160 0.000 1.142 144 T CB -0.086 68.716 68.868 -0.109 0.000 0.868 144 T HN 0.075 nan 8.240 nan 0.000 0.435 145 K N 1.405 121.744 120.400 -0.102 0.000 2.484 145 K HA 0.150 4.466 4.320 -0.007 0.000 0.280 145 K C 0.296 176.861 176.600 -0.057 0.000 1.013 145 K CA 0.508 56.759 56.287 -0.061 0.000 1.029 145 K CB 0.375 32.852 32.500 -0.039 0.000 0.902 145 K HN 0.295 nan 8.250 nan 0.000 0.481 146 M N 2.140 121.722 119.600 -0.030 0.000 2.268 146 M HA 0.041 4.516 4.480 -0.007 0.000 0.355 146 M C -0.674 175.643 176.300 0.028 0.000 0.938 146 M CA -0.121 55.171 55.300 -0.013 0.000 1.025 146 M CB 1.283 33.873 32.600 -0.017 0.000 1.773 146 M HN 0.199 nan 8.290 nan 0.000 0.613 147 V N -1.257 118.672 119.914 0.024 0.000 2.532 147 V HA 0.274 4.390 4.120 -0.007 0.000 0.295 147 V C 0.126 176.239 176.094 0.031 0.000 1.041 147 V CA -1.275 61.047 62.300 0.036 0.000 0.926 147 V CB 1.574 33.410 31.823 0.021 0.000 0.992 147 V HN 0.289 nan 8.190 nan 0.000 0.457 148 C N 4.378 123.703 119.300 0.042 0.000 2.861 148 C HA 0.309 4.764 4.460 -0.007 0.000 0.542 148 C C 1.081 176.085 174.990 0.022 0.000 1.074 148 C CA -0.320 58.718 59.018 0.034 0.000 1.232 148 C CB -2.648 25.121 27.740 0.048 0.000 1.433 148 C HN 1.076 nan 8.230 nan 0.000 0.606 149 E N 1.234 121.443 120.200 0.014 0.000 2.854 149 E HA -0.205 4.141 4.350 -0.007 0.000 0.297 149 E C 1.244 177.845 176.600 0.000 0.000 1.179 149 E CA 1.541 57.945 56.400 0.006 0.000 1.119 149 E CB 0.477 30.178 29.700 0.001 0.000 1.179 149 E HN 0.738 nan 8.360 nan 0.000 0.470 150 T N -1.120 113.430 114.554 -0.007 0.000 3.045 150 T HA 0.113 4.459 4.350 -0.007 0.000 0.239 150 T C 0.045 174.731 174.700 -0.024 0.000 1.008 150 T CA 0.561 62.654 62.100 -0.011 0.000 1.143 150 T CB 0.190 69.053 68.868 -0.009 0.000 0.894 150 T HN 0.369 nan 8.240 nan 0.000 0.451 151 D N -1.177 119.205 120.400 -0.031 0.000 3.103 151 D HA 0.684 5.320 4.640 -0.007 0.000 0.337 151 D C -1.640 174.623 176.300 -0.062 0.000 1.356 151 D CA -0.353 53.614 54.000 -0.055 0.000 0.951 151 D CB 1.903 42.665 40.800 -0.064 0.000 1.438 151 D HN 0.030 nan 8.370 nan 0.000 0.562 152 V N 0.035 119.893 119.914 -0.093 0.000 3.204 152 V HA 0.373 4.488 4.120 -0.007 0.000 0.298 152 V C -2.504 173.558 176.094 -0.054 0.000 1.328 152 V CA -1.451 60.810 62.300 -0.066 0.000 1.035 152 V CB 1.795 33.585 31.823 -0.056 0.000 1.095 152 V HN 0.410 nan 8.190 nan 0.000 0.442 153 P HA -0.009 nan 4.420 nan 0.000 0.221 153 P C 0.691 178.006 177.300 0.025 0.000 1.287 153 P CA 0.942 64.043 63.100 0.002 0.000 1.317 153 P CB -0.559 31.147 31.700 0.010 0.000 1.721 162 V N -3.120 116.763 119.914 -0.051 0.000 3.130 162 V HA 0.920 5.036 4.120 -0.007 0.000 0.308 162 V C -1.161 174.873 176.094 -0.100 0.000 1.572 162 V CA -0.423 61.836 62.300 -0.068 0.000 1.012 162 V CB 1.509 33.293 31.823 -0.066 0.000 1.052 162 V HN 0.971 nan 8.190 nan 0.000 0.478 163 S N 0.326 115.958 115.700 -0.113 0.000 2.619 163 S HA 0.804 5.270 4.470 -0.007 0.000 0.280 163 S C -0.576 173.962 174.600 -0.103 0.000 1.150 163 S CA -0.962 57.174 58.200 -0.107 0.000 0.978 163 S CB 2.203 65.369 63.200 -0.057 0.000 1.041 163 S HN 1.218 nan 8.310 nan 0.000 0.485 164 R N 1.767 122.205 120.500 -0.103 0.000 2.936 164 R HA 0.830 5.166 4.340 -0.007 0.000 0.218 164 R C 0.592 176.878 176.300 -0.023 0.000 1.528 164 R CA -0.772 55.303 56.100 -0.042 0.000 1.005 164 R CB -0.388 29.892 30.300 -0.033 0.000 2.099 164 R HN 0.656 nan 8.270 nan 0.000 0.527 165 G N -1.435 107.361 108.800 -0.007 0.000 2.588 165 G HA2 0.460 4.416 3.960 -0.007 0.000 0.278 165 G HA3 0.460 4.416 3.960 -0.007 0.000 0.278 165 G C -0.477 174.420 174.900 -0.005 0.000 1.307 165 G CA -0.187 44.909 45.100 -0.006 0.000 1.016 165 G HN 0.715 nan 8.290 nan 0.000 0.503 166 G N -3.183 105.617 108.800 -0.000 0.000 2.815 166 G HA2 0.574 4.530 3.960 -0.007 0.000 0.305 166 G HA3 0.574 4.530 3.960 -0.007 0.000 0.305 166 G C -0.258 174.652 174.900 0.017 0.000 1.277 166 G CA 0.589 45.691 45.100 0.004 0.000 0.795 166 G HN 2.227 nan 8.290 nan 0.000 0.528 167 C N -0.967 118.346 119.300 0.021 0.000 3.677 167 C HA 0.171 4.627 4.460 -0.007 0.000 0.356 167 C C 1.312 176.336 174.990 0.057 0.000 0.923 167 C CA -0.459 58.582 59.018 0.038 0.000 3.735 167 C CB -1.601 26.174 27.740 0.059 0.000 1.169 167 C HN 2.141 nan 8.230 nan 0.000 0.617 168 G N 2.397 111.220 108.800 0.039 0.000 2.679 168 G HA2 0.087 4.043 3.960 -0.007 0.000 0.212 168 G HA3 0.087 4.043 3.960 -0.007 0.000 0.212 168 G C 0.688 175.622 174.900 0.057 0.000 1.137 168 G CA 0.584 45.710 45.100 0.044 0.000 0.787 168 G HN 1.150 nan 8.290 nan 0.000 0.534 169 N N -0.219 118.517 118.700 0.059 0.000 2.116 169 N HA 0.129 4.865 4.740 -0.007 0.000 0.209 169 N C 0.103 175.698 175.510 0.142 0.000 1.362 169 N CA 0.674 53.767 53.050 0.072 0.000 0.867 169 N CB 0.021 38.534 38.487 0.043 0.000 1.040 169 N HN 0.120 nan 8.380 nan 0.000 0.432 170 T N -2.280 112.404 114.554 0.216 0.000 2.604 170 T HA 0.279 4.625 4.350 -0.007 0.000 0.267 170 T C -0.909 173.994 174.700 0.338 0.000 0.923 170 T CA -0.818 61.450 62.100 0.280 0.000 1.077 170 T CB 1.338 70.372 68.868 0.277 0.000 1.392 170 T HN 0.492 nan 8.240 nan 0.000 0.531 171 Q N 1.444 121.363 119.800 0.198 0.000 2.310 171 Q HA 0.433 4.769 4.340 -0.007 0.000 0.270 171 Q C -2.793 173.110 176.000 -0.161 0.000 1.025 171 Q CA -2.090 53.703 55.803 -0.017 0.000 0.772 171 Q CB 2.227 30.951 28.738 -0.024 0.000 1.253 171 Q HN 0.307 nan 8.270 nan 0.000 0.450 172 P HA 0.166 nan 4.420 nan 0.000 0.276 172 P C -0.913 176.177 177.300 -0.349 0.000 1.261 172 P CA -0.366 62.313 63.100 -0.702 0.000 0.800 172 P CB 0.693 31.694 31.700 -1.164 0.000 1.066 173 T N 1.718 116.121 114.554 -0.253 0.000 2.737 173 T HA 0.326 4.672 4.350 -0.007 0.000 0.296 173 T C 0.596 175.174 174.700 -0.203 0.000 0.922 173 T CA -0.065 61.929 62.100 -0.176 0.000 1.079 173 T CB -0.590 68.213 68.868 -0.109 0.000 0.892 173 T HN 0.168 nan 8.240 nan 0.000 0.514 174 I N 3.406 123.868 120.570 -0.181 0.000 2.638 174 I HA 0.427 4.593 4.170 -0.007 0.000 0.286 174 I C 0.814 176.877 176.117 -0.089 0.000 1.088 174 I CA -0.277 60.932 61.300 -0.151 0.000 1.397 174 I CB 0.725 38.655 38.000 -0.117 0.000 1.414 174 I HN 0.367 nan 8.210 nan 0.000 0.566 175 R N 3.964 124.413 120.500 -0.085 0.000 2.725 175 R HA 0.420 4.756 4.340 -0.007 0.000 0.277 175 R C -1.146 175.117 176.300 -0.061 0.000 0.987 175 R CA -0.948 55.119 56.100 -0.056 0.000 0.901 175 R CB 1.938 32.208 30.300 -0.051 0.000 1.207 175 R HN 0.484 nan 8.270 nan 0.000 0.463 176 K N 2.248 122.620 120.400 -0.047 0.000 2.274 176 K HA 0.239 4.554 4.320 -0.007 0.000 0.262 176 K C -1.542 175.032 176.600 -0.045 0.000 0.961 176 K CA -0.454 55.794 56.287 -0.065 0.000 0.833 176 K CB 1.441 33.909 32.500 -0.054 0.000 1.102 176 K HN 0.458 nan 8.250 nan 0.000 0.436 177 D N 2.837 123.202 120.400 -0.058 0.000 2.473 177 D HA 0.292 4.928 4.640 -0.007 0.000 0.253 177 D C 0.813 177.083 176.300 -0.050 0.000 1.233 177 D CA 0.665 54.642 54.000 -0.039 0.000 0.908 177 D CB 1.474 42.256 40.800 -0.031 0.000 1.170 177 D HN 0.849 nan 8.370 nan 0.000 0.558 178 G N 3.479 112.263 108.800 -0.027 0.000 4.674 178 G HA2 -0.334 3.622 3.960 -0.007 0.000 0.322 178 G HA3 -0.334 3.622 3.960 -0.007 0.000 0.322 178 G C 0.784 175.670 174.900 -0.024 0.000 1.649 178 G CA 1.375 46.471 45.100 -0.007 0.000 1.604 178 G HN 0.586 nan 8.290 nan 0.000 0.855 179 L N -1.038 120.151 121.223 -0.055 0.000 3.519 179 L HA 0.571 4.907 4.340 -0.007 0.000 0.323 179 L C -0.133 176.455 176.870 -0.469 0.000 1.289 179 L CA -0.468 54.284 54.840 -0.148 0.000 1.039 179 L CB 0.928 43.021 42.059 0.057 0.000 1.438 179 L HN 0.092 nan 8.230 nan 0.000 0.619 180 K N 1.427 121.638 120.400 -0.314 0.000 2.318 180 K HA 0.716 5.032 4.320 -0.007 0.000 0.249 180 K C -0.896 175.552 176.600 -0.253 0.000 0.942 180 K CA -0.322 55.764 56.287 -0.334 0.000 0.808 180 K CB 2.631 35.091 32.500 -0.067 0.000 1.189 180 K HN 0.009 nan 8.250 nan 0.000 0.428 181 L N 2.434 123.522 121.223 -0.225 0.000 2.261 181 L HA 0.434 4.770 4.340 -0.007 0.000 0.289 181 L C -0.795 176.031 176.870 -0.072 0.000 1.059 181 L CA -0.929 53.838 54.840 -0.121 0.000 0.816 181 L CB 0.859 42.873 42.059 -0.076 0.000 1.191 181 L HN 0.216 nan 8.230 nan 0.000 0.431 182 V N 2.790 122.650 119.914 -0.090 0.000 2.380 182 V HA 0.445 4.561 4.120 -0.007 0.000 0.286 182 V C 0.492 176.499 176.094 -0.145 0.000 1.015 182 V CA -0.443 61.803 62.300 -0.090 0.000 0.834 182 V CB 1.744 33.535 31.823 -0.053 0.000 1.009 182 V HN 0.827 nan 8.190 nan 0.000 0.428 183 G N 3.017 111.676 108.800 -0.234 0.000 2.356 183 G HA2 0.427 4.383 3.960 -0.007 0.000 0.312 183 G HA3 0.427 4.383 3.960 -0.007 0.000 0.312 183 G C 0.533 175.292 174.900 -0.233 0.000 1.096 183 G CA 0.426 45.296 45.100 -0.382 0.000 0.950 183 G HN 0.781 nan 8.290 nan 0.000 0.428 184 S N 2.623 118.233 115.700 -0.149 0.000 3.184 184 S HA 0.243 4.709 4.470 -0.007 0.000 0.264 184 S C 0.550 175.158 174.600 0.014 0.000 1.503 184 S CA 0.819 59.004 58.200 -0.024 0.000 1.116 184 S CB 0.286 63.464 63.200 -0.036 0.000 0.793 184 S HN 0.799 nan 8.310 nan 0.000 0.469 185 W N -1.481 119.818 121.300 -0.003 0.000 2.678 185 W HA 0.271 4.927 4.660 -0.007 0.000 0.383 185 W C -0.868 175.650 176.519 -0.002 0.000 0.628 185 W CA -0.310 57.035 57.345 -0.001 0.000 1.552 185 W CB -0.578 28.888 29.460 0.009 0.000 1.206 185 W HN 0.823 nan 8.180 nan 0.000 0.645 200 R N 2.664 123.284 120.500 0.200 0.000 2.537 200 R HA 0.394 4.729 4.340 -0.007 0.000 0.281 200 R C -1.137 175.276 176.300 0.189 0.000 0.988 200 R CA 0.127 56.360 56.100 0.222 0.000 1.077 200 R CB 0.622 31.102 30.300 0.299 0.000 0.932 200 R HN 0.389 nan 8.270 nan 0.000 0.409 201 V N 5.053 125.045 119.914 0.129 0.000 3.046 201 V HA 0.377 4.493 4.120 -0.007 0.000 0.316 201 V C -0.503 175.647 176.094 0.093 0.000 1.104 201 V CA -1.120 61.225 62.300 0.074 0.000 1.006 201 V CB 1.917 33.783 31.823 0.072 0.000 1.058 201 V HN 0.599 nan 8.190 nan 0.000 0.440 202 L N 2.017 123.296 121.223 0.094 0.000 2.264 202 L HA 0.425 4.761 4.340 -0.007 0.000 0.287 202 L C 0.583 177.608 176.870 0.259 0.000 1.039 202 L CA 0.320 55.250 54.840 0.149 0.000 0.829 202 L CB 1.331 43.455 42.059 0.107 0.000 1.211 202 L HN 0.666 nan 8.230 nan 0.000 0.427 203 S N 1.867 117.666 115.700 0.165 0.000 2.481 203 S HA 0.031 4.497 4.470 -0.007 0.000 0.282 203 S C 1.554 176.206 174.600 0.088 0.000 1.243 203 S CA 0.051 58.328 58.200 0.128 0.000 1.078 203 S CB 0.187 63.426 63.200 0.065 0.000 0.916 203 S HN 0.845 nan 8.310 nan 0.000 0.495 204 T N 4.665 119.237 114.554 0.030 0.000 2.453 204 T HA -0.340 4.006 4.350 -0.007 0.000 0.218 204 T C 1.437 176.042 174.700 -0.158 0.000 1.437 204 T CA 2.559 64.437 62.100 -0.369 0.000 1.049 204 T CB -1.018 67.658 68.868 -0.320 0.000 0.804 204 T HN 0.883 nan 8.240 nan 0.000 0.463 205 E N 0.197 120.351 120.200 -0.076 0.000 2.171 205 E HA -0.186 4.160 4.350 -0.007 0.000 0.197 205 E C 2.348 178.934 176.600 -0.024 0.000 0.997 205 E CA 0.983 57.360 56.400 -0.038 0.000 0.810 205 E CB -0.063 29.630 29.700 -0.012 0.000 0.738 205 E HN 0.489 nan 8.360 nan 0.000 0.467 206 E N -0.156 120.038 120.200 -0.010 0.000 2.187 206 E HA -0.221 4.125 4.350 -0.007 0.000 0.199 206 E C 1.962 178.506 176.600 -0.093 0.000 1.004 206 E CA 1.220 57.606 56.400 -0.023 0.000 0.813 206 E CB -0.057 29.644 29.700 0.001 0.000 0.736 206 E HN 0.501 nan 8.360 nan 0.000 0.468 207 I N -0.270 120.242 120.570 -0.095 0.000 3.526 207 I HA -0.038 4.127 4.170 -0.007 0.000 0.294 207 I C 2.444 178.431 176.117 -0.216 0.000 1.229 207 I CA -0.063 61.101 61.300 -0.226 0.000 1.408 207 I CB -0.103 37.849 38.000 -0.080 0.000 1.127 207 I HN -0.009 nan 8.210 nan 0.000 0.439 208 L N 1.391 122.597 121.223 -0.029 0.000 1.971 208 L HA -0.228 4.108 4.340 -0.007 0.000 0.215 208 L C 2.118 178.975 176.870 -0.021 0.000 1.072 208 L CA 1.895 56.774 54.840 0.065 0.000 0.758 208 L CB -0.489 41.600 42.059 0.051 0.000 0.889 208 L HN 0.361 nan 8.230 nan 0.000 0.433 209 N N 0.109 118.759 118.700 -0.084 0.000 1.885 209 N HA -0.282 4.454 4.740 -0.007 0.000 0.161 209 N C 1.653 177.072 175.510 -0.152 0.000 0.978 209 N CA 1.900 54.876 53.050 -0.123 0.000 0.929 209 N CB -0.448 37.989 38.487 -0.084 0.000 0.952 209 N HN 0.400 nan 8.380 nan 0.000 0.855 210 I N -1.109 119.373 120.570 -0.146 0.000 4.900 210 I HA -0.454 3.712 4.170 -0.007 0.000 0.038 210 I C 2.003 178.111 176.117 -0.015 0.000 0.635 210 I CA 1.869 63.078 61.300 -0.151 0.000 0.246 210 I CB -2.075 35.630 38.000 -0.492 0.000 0.340 210 I HN 0.211 nan 8.210 nan 0.000 0.150 211 F N 1.545 121.446 119.950 -0.082 0.000 2.025 211 F HA -0.175 4.347 4.527 -0.007 0.000 0.297 211 F C 2.580 178.282 175.800 -0.164 0.000 1.132 211 F CA 2.184 60.118 58.000 -0.111 0.000 1.191 211 F CB -1.059 37.893 39.000 -0.080 0.000 0.963 211 F HN 0.340 nan 8.300 nan 0.000 0.481 212 K N -1.025 119.389 120.400 0.023 0.000 2.397 212 K HA -0.252 4.063 4.320 -0.007 0.000 0.202 212 K C 1.478 177.938 176.600 -0.233 0.000 1.043 212 K CA 1.638 57.840 56.287 -0.141 0.000 0.934 212 K CB -0.120 32.267 32.500 -0.188 0.000 0.743 212 K HN 0.384 nan 8.250 nan 0.000 0.485 213 H N -0.981 118.062 119.070 -0.045 0.000 3.977 213 H HA 0.162 4.714 4.556 -0.007 0.000 0.161 213 H C 0.798 176.047 175.328 -0.132 0.000 1.259 213 H CA -0.266 55.736 56.048 -0.078 0.000 1.319 213 H CB -0.518 29.216 29.762 -0.047 0.000 1.481 213 H HN -0.163 nan 8.280 nan 0.000 0.404 214 I N 1.302 121.885 120.570 0.021 0.000 2.795 214 I HA -0.264 3.901 4.170 -0.007 0.000 0.134 214 I C 1.174 177.165 176.117 -0.211 0.000 0.890 214 I CA 0.464 61.727 61.300 -0.062 0.000 2.770 214 I CB -0.864 37.113 38.000 -0.039 0.000 0.614 214 I HN 0.503 nan 8.210 nan 0.000 0.352 215 S N 3.117 118.695 115.700 -0.204 0.000 2.669 215 S HA 0.479 4.945 4.470 -0.007 0.000 0.270 215 S C 1.204 175.519 174.600 -0.475 0.000 1.225 215 S CA -0.254 57.789 58.200 -0.261 0.000 0.991 215 S CB 1.660 64.788 63.200 -0.121 0.000 0.987 215 S HN 0.357 nan 8.310 nan 0.000 0.552 216 V N 2.827 122.538 119.914 -0.337 0.000 2.220 216 V HA -0.135 3.981 4.120 -0.007 0.000 0.246 216 V C 2.597 178.689 176.094 -0.004 0.000 1.049 216 V CA 2.198 64.388 62.300 -0.184 0.000 1.003 216 V CB -1.176 30.639 31.823 -0.015 0.000 0.634 216 V HN 0.962 nan 8.190 nan 0.000 0.444 217 K N -0.287 120.110 120.400 -0.005 0.000 2.366 217 K HA -0.216 4.100 4.320 -0.007 0.000 0.202 217 K C 1.681 178.321 176.600 0.067 0.000 1.045 217 K CA 1.634 57.945 56.287 0.039 0.000 0.934 217 K CB -0.153 32.358 32.500 0.017 0.000 0.746 217 K HN 0.630 nan 8.250 nan 0.000 0.470 218 D N -0.807 119.617 120.400 0.040 0.000 2.527 218 D HA -0.028 4.608 4.640 -0.007 0.000 0.249 218 D C 1.523 177.938 176.300 0.192 0.000 1.029 218 D CA 0.281 54.322 54.000 0.068 0.000 0.951 218 D CB -0.363 40.436 40.800 -0.001 0.000 1.093 218 D HN 0.056 nan 8.370 nan 0.000 0.464 219 F N 1.938 121.886 119.950 -0.003 0.000 2.451 219 F HA -0.389 4.134 4.527 -0.007 0.000 0.311 219 F C 2.676 178.590 175.800 0.191 0.000 1.385 219 F CA 1.437 59.431 58.000 -0.010 0.000 1.281 219 F CB -0.694 38.291 39.000 -0.025 0.000 0.869 219 F HN -0.026 nan 8.300 nan 0.000 0.620 220 T N 0.221 115.051 114.554 0.460 0.000 2.824 220 T HA -0.353 3.993 4.350 -0.007 0.000 0.259 220 T C 1.672 176.505 174.700 0.222 0.000 1.024 220 T CA 1.990 64.256 62.100 0.276 0.000 1.164 220 T CB -0.862 68.129 68.868 0.205 0.000 0.836 220 T HN 0.530 nan 8.240 nan 0.000 0.485 221 S N 1.643 117.467 115.700 0.208 0.000 2.368 221 S HA 0.015 4.480 4.470 -0.007 0.000 0.225 221 S C 0.843 175.560 174.600 0.195 0.000 1.030 221 S CA 0.480 58.771 58.200 0.151 0.000 0.999 221 S CB -0.771 62.500 63.200 0.119 0.000 0.844 221 S HN 0.522 nan 8.310 nan 0.000 0.459 222 L N 0.653 122.049 121.223 0.289 0.000 2.421 222 L HA 0.770 5.105 4.340 -0.007 0.000 0.263 222 L C 0.727 177.880 176.870 0.470 0.000 1.122 222 L CA -0.690 54.440 54.840 0.482 0.000 0.804 222 L CB -0.441 42.059 42.059 0.735 0.000 1.150 222 L HN 0.070 nan 8.230 nan 0.000 0.457 223 G N 0.816 109.794 108.800 0.297 0.000 2.588 223 G HA2 0.452 4.408 3.960 -0.007 0.000 0.297 223 G HA3 0.452 4.408 3.960 -0.007 0.000 0.297 223 G C -0.769 173.997 174.900 -0.223 0.000 0.874 223 G CA 0.141 45.220 45.100 -0.036 0.000 1.607 223 G HN 0.332 nan 8.290 nan 0.000 0.486 224 F N -0.175 119.727 119.950 -0.081 0.000 2.754 224 F HA 0.449 4.972 4.527 -0.007 0.000 0.320 224 F C 0.156 175.811 175.800 -0.242 0.000 1.156 224 F CA -1.498 56.353 58.000 -0.248 0.000 0.950 224 F CB 1.941 40.584 39.000 -0.594 0.000 1.388 224 F HN 0.199 nan 8.300 nan 0.000 0.485 225 N N 0.297 118.939 118.700 -0.097 0.000 2.571 225 N HA 0.187 4.923 4.740 -0.007 0.000 0.298 225 N C 0.099 175.529 175.510 -0.135 0.000 1.671 225 N CA 0.097 53.088 53.050 -0.098 0.000 0.900 225 N CB 0.455 38.908 38.487 -0.057 0.000 1.365 225 N HN 0.706 nan 8.380 nan 0.000 0.493 226 E N -1.088 118.967 120.200 -0.240 0.000 3.481 226 E HA -0.425 3.921 4.350 -0.007 0.000 0.436 226 E C 0.828 177.439 176.600 0.018 0.000 1.609 226 E CA 3.029 59.441 56.400 0.021 0.000 1.448 226 E CB -0.950 28.812 29.700 0.104 0.000 1.457 226 E HN 0.026 nan 8.360 nan 0.000 0.431 227 V N -0.008 119.902 119.914 -0.007 0.000 2.439 227 V HA -0.243 3.873 4.120 -0.007 0.000 0.253 227 V C 2.171 178.511 176.094 0.410 0.000 1.074 227 V CA 2.659 65.022 62.300 0.105 0.000 1.076 227 V CB -0.809 30.961 31.823 -0.088 0.000 0.664 227 V HN 0.437 nan 8.190 nan 0.000 0.461 228 F N 0.022 120.095 119.950 0.205 0.000 2.622 228 F HA 0.226 4.749 4.527 -0.007 0.000 0.288 228 F C 1.013 176.936 175.800 0.205 0.000 1.120 228 F CA 0.182 58.265 58.000 0.139 0.000 1.423 228 F CB 0.534 39.554 39.000 0.033 0.000 1.127 228 F HN 0.269 nan 8.300 nan 0.000 0.588 229 S N 0.175 116.195 115.700 0.533 0.000 2.541 229 S HA 0.750 5.216 4.470 -0.007 0.000 0.271 229 S C -0.921 173.957 174.600 0.463 0.000 1.133 229 S CA -0.897 57.644 58.200 0.569 0.000 0.876 229 S CB 3.046 66.424 63.200 0.297 0.000 1.105 229 S HN 0.160 nan 8.310 nan 0.000 0.470 230 R N 0.777 121.593 120.500 0.526 0.000 2.647 230 R HA 0.290 4.626 4.340 -0.007 0.000 0.260 230 R C -2.794 173.365 176.300 -0.236 0.000 1.154 230 R CA -1.592 54.283 56.100 -0.375 0.000 1.029 230 R CB 1.911 31.601 30.300 -1.016 0.000 1.262 230 R HN 0.358 nan 8.270 nan 0.000 0.437 231 P HA -0.308 nan 4.420 nan 0.000 0.219 231 P C 0.934 177.991 177.300 -0.404 0.000 1.149 231 P CA 1.387 64.004 63.100 -0.805 0.000 0.835 231 P CB 0.242 30.905 31.700 -1.729 0.000 0.778 232 E N -1.910 118.187 120.200 -0.171 0.000 2.347 232 E HA -0.166 4.180 4.350 -0.007 0.000 0.196 232 E C 1.352 178.173 176.600 0.369 0.000 1.008 232 E CA 0.746 57.231 56.400 0.142 0.000 0.852 232 E CB -0.852 28.871 29.700 0.038 0.000 0.783 232 E HN 0.291 nan 8.360 nan 0.000 0.505 233 W N 1.161 122.539 121.300 0.130 0.000 2.480 233 W HA 0.238 4.894 4.660 -0.007 0.000 0.299 233 W C 2.282 178.947 176.519 0.243 0.000 1.187 233 W CA 0.033 57.493 57.345 0.192 0.000 1.347 233 W CB -0.916 28.651 29.460 0.178 0.000 1.121 233 W HN 0.044 nan 8.180 nan 0.000 0.533 234 M N 0.093 119.988 119.600 0.491 0.000 2.501 234 M HA -0.213 4.263 4.480 -0.007 0.000 0.256 234 M C -0.632 175.913 176.300 0.409 0.000 1.091 234 M CA 1.375 56.882 55.300 0.345 0.000 1.030 234 M CB -0.352 32.252 32.600 0.007 0.000 1.380 234 M HN -0.297 nan 8.290 nan 0.000 0.452 235 I N -1.232 119.573 120.570 0.391 0.000 2.769 235 I HA 0.287 4.452 4.170 -0.007 0.000 0.298 235 I C -0.918 175.373 176.117 0.290 0.000 1.128 235 I CA -0.827 60.679 61.300 0.344 0.000 1.031 235 I CB 1.509 39.666 38.000 0.262 0.000 1.235 235 I HN -0.165 nan 8.210 nan 0.000 0.423 236 L N 3.815 125.171 121.223 0.221 0.000 2.325 236 L HA 0.368 4.703 4.340 -0.007 0.000 0.284 236 L C 1.232 178.146 176.870 0.072 0.000 1.089 236 L CA -0.193 54.731 54.840 0.141 0.000 0.836 236 L CB 0.233 42.350 42.059 0.096 0.000 1.184 236 L HN 0.829 nan 8.230 nan 0.000 0.444 237 T N 0.109 114.723 114.554 0.101 0.000 2.564 237 T HA -0.154 4.192 4.350 -0.007 0.000 0.259 237 T C 0.594 175.315 174.700 0.035 0.000 1.087 237 T CA 0.806 62.955 62.100 0.081 0.000 1.184 237 T CB -0.079 68.856 68.868 0.111 0.000 0.864 237 T HN 0.668 nan 8.240 nan 0.000 0.403 238 C N 1.123 120.440 119.300 0.029 0.000 3.094 238 C HA 0.642 5.098 4.460 -0.007 0.000 0.414 238 C C -2.105 172.866 174.990 -0.031 0.000 0.993 238 C CA -1.380 57.636 59.018 -0.003 0.000 1.217 238 C CB 0.568 28.326 27.740 0.030 0.000 1.603 238 C HN 0.625 nan 8.230 nan 0.000 0.564 239 L N 8.832 130.021 121.223 -0.056 0.000 2.349 239 L HA 0.880 5.216 4.340 -0.007 0.000 0.278 239 L C -2.244 174.600 176.870 -0.044 0.000 0.996 239 L CA -2.255 52.549 54.840 -0.059 0.000 0.825 239 L CB 1.355 43.357 42.059 -0.094 0.000 1.243 239 L HN 0.640 nan 8.230 nan 0.000 0.412 240 P HA 0.155 nan 4.420 nan 0.000 0.273 240 P C -1.078 176.311 177.300 0.148 0.000 1.258 240 P CA -0.036 63.149 63.100 0.140 0.000 0.802 240 P CB 0.760 32.588 31.700 0.214 0.000 1.040 241 V N -0.817 119.209 119.914 0.187 0.000 2.760 241 V HA 0.409 4.525 4.120 -0.007 0.000 0.309 241 V C -2.542 173.313 176.094 -0.398 0.000 1.077 241 V CA -1.978 60.303 62.300 -0.032 0.000 0.910 241 V CB 2.077 33.854 31.823 -0.078 0.000 1.008 241 V HN 0.516 nan 8.190 nan 0.000 0.424 242 P HA 0.403 nan 4.420 nan 0.000 0.297 242 P C -2.856 174.173 177.300 -0.452 0.000 1.319 242 P CA -2.208 60.490 63.100 -0.671 0.000 0.810 242 P CB 1.130 32.702 31.700 -0.214 0.000 0.947 243 P HA 0.154 nan 4.420 nan 0.000 0.279 243 P C -1.775 175.404 177.300 -0.202 0.000 1.239 243 P CA -1.723 61.196 63.100 -0.301 0.000 0.789 243 P CB 0.286 31.790 31.700 -0.327 0.000 0.933 244 P HA -0.274 nan 4.420 nan 0.000 0.223 244 P C -1.154 176.094 177.300 -0.086 0.000 0.913 244 P CA 2.944 65.987 63.100 -0.095 0.000 1.058 244 P CB -2.668 28.982 31.700 -0.082 0.000 0.714 245 P HA -0.183 nan 4.420 nan 0.000 0.228 245 P C 1.903 179.172 177.300 -0.052 0.000 1.153 245 P CA 1.634 64.693 63.100 -0.067 0.000 0.897 245 P CB -0.727 30.928 31.700 -0.075 0.000 0.782 246 V N -1.114 118.763 119.914 -0.061 0.000 2.719 246 V HA -0.081 4.034 4.120 -0.007 0.000 0.252 246 V C 1.521 177.590 176.094 -0.042 0.000 1.065 246 V CA 1.352 63.625 62.300 -0.046 0.000 1.086 246 V CB -0.777 31.010 31.823 -0.060 0.000 0.700 246 V HN 0.257 nan 8.190 nan 0.000 0.467 247 R N 0.362 120.833 120.500 -0.047 0.000 3.107 247 R HA 0.272 4.608 4.340 -0.007 0.000 0.224 247 R C -3.339 172.941 176.300 -0.034 0.000 1.734 247 R CA -0.870 55.209 56.100 -0.036 0.000 1.303 247 R CB 1.316 31.606 30.300 -0.017 0.000 1.570 247 R HN 0.163 nan 8.270 nan 0.000 0.606 248 P HA 0.402 nan 4.420 nan 0.000 0.341 248 P C -0.232 177.044 177.300 -0.039 0.000 1.349 248 P CA -0.073 63.005 63.100 -0.038 0.000 0.830 248 P CB 0.999 32.673 31.700 -0.043 0.000 1.986 249 S N -0.698 114.973 115.700 -0.048 0.000 4.149 249 S HA 0.246 4.712 4.470 -0.007 0.000 0.195 249 S C 1.765 176.308 174.600 -0.095 0.000 1.092 249 S CA -0.253 57.910 58.200 -0.062 0.000 1.650 249 S CB -1.143 62.032 63.200 -0.043 0.000 1.076 249 S HN 0.494 nan 8.310 nan 0.000 0.805 250 I N 1.645 122.149 120.570 -0.110 0.000 2.238 250 I HA 0.015 4.181 4.170 -0.007 0.000 0.195 250 I C 1.260 177.202 176.117 -0.292 0.000 0.987 250 I CA 2.531 63.735 61.300 -0.160 0.000 1.325 250 I CB -1.547 36.380 38.000 -0.122 0.000 1.059 250 I HN 0.915 nan 8.210 nan 0.000 0.391 251 S N -1.801 113.648 115.700 -0.419 0.000 6.262 251 S HA 0.186 4.652 4.470 -0.007 0.000 0.149 251 S C 0.556 174.544 174.600 -1.020 0.000 1.426 251 S CA 0.309 57.927 58.200 -0.970 0.000 0.943 251 S CB -0.944 61.609 63.200 -1.078 0.000 1.595 251 S HN 0.474 nan 8.310 nan 0.000 0.527 252 F N 2.673 122.622 119.950 -0.002 0.000 2.522 252 F HA 0.478 5.001 4.527 -0.007 0.000 0.275 252 F C 0.963 176.762 175.800 -0.001 0.000 0.890 252 F CA 0.290 58.289 58.000 -0.001 0.000 1.157 252 F CB -1.070 37.930 39.000 -0.000 0.000 1.117 252 F HN 0.750 nan 8.300 nan 0.000 0.787 253 N N 2.210 120.968 118.700 0.096 0.000 4.967 253 N HA -0.325 4.411 4.740 -0.007 0.000 0.351 253 N C -0.562 174.941 175.510 -0.011 0.000 1.090 253 N CA 1.585 54.634 53.050 -0.001 0.000 2.869 253 N CB -0.282 38.132 38.487 -0.122 0.000 0.457 253 N HN 0.626 nan 8.380 nan 0.000 0.834 254 E N -1.061 119.131 120.200 -0.013 0.000 7.484 254 E HA -0.045 4.301 4.350 -0.007 0.000 0.198 254 E C -0.927 175.680 176.600 0.012 0.000 0.894 254 E CA 0.809 57.202 56.400 -0.011 0.000 1.682 254 E CB -1.243 28.444 29.700 -0.023 0.000 0.895 254 E HN 0.672 nan 8.360 nan 0.000 0.264 255 S N 2.123 117.834 115.700 0.018 0.000 2.819 255 S HA 0.312 4.778 4.470 -0.007 0.000 0.249 255 S C 0.005 174.613 174.600 0.013 0.000 1.030 255 S CA -0.541 57.664 58.200 0.009 0.000 1.052 255 S CB 0.810 64.016 63.200 0.010 0.000 1.017 255 S HN 0.345 nan 8.310 nan 0.000 0.576 256 Q N 1.474 121.287 119.800 0.021 0.000 2.281 256 Q HA 0.415 4.751 4.340 -0.007 0.000 0.263 256 Q C 0.507 176.535 176.000 0.046 0.000 0.989 256 Q CA -0.541 55.291 55.803 0.048 0.000 0.852 256 Q CB 1.357 30.141 28.738 0.077 0.000 1.337 256 Q HN 0.107 nan 8.270 nan 0.000 0.418 257 R N 1.116 121.639 120.500 0.038 0.000 2.105 257 R HA 0.460 4.795 4.340 -0.007 0.000 0.214 257 R C 0.422 176.698 176.300 -0.040 0.000 1.091 257 R CA 0.947 57.044 56.100 -0.005 0.000 1.007 257 R CB 0.059 30.384 30.300 0.042 0.000 0.912 257 R HN 0.526 nan 8.270 nan 0.000 0.450 258 G N 0.103 108.863 108.800 -0.067 0.000 2.600 258 G HA2 0.455 4.411 3.960 -0.007 0.000 0.293 258 G HA3 0.455 4.411 3.960 -0.007 0.000 0.293 258 G C -1.664 173.228 174.900 -0.014 0.000 1.408 258 G CA -0.748 44.358 45.100 0.010 0.000 0.782 258 G HN 0.038 nan 8.290 nan 0.000 0.482 259 E N -0.365 119.860 120.200 0.043 0.000 2.254 259 E HA 0.367 4.713 4.350 -0.007 0.000 0.258 259 E C -0.489 175.999 176.600 -0.186 0.000 1.033 259 E CA -0.761 55.616 56.400 -0.037 0.000 0.893 259 E CB 1.423 31.180 29.700 0.095 0.000 1.204 259 E HN 0.412 nan 8.360 nan 0.000 0.425 260 D N 0.334 120.662 120.400 -0.120 0.000 2.414 260 D HA 0.009 4.644 4.640 -0.007 0.000 0.251 260 D C 0.052 176.255 176.300 -0.163 0.000 1.252 260 D CA 0.003 53.924 54.000 -0.132 0.000 0.999 260 D CB 0.603 41.361 40.800 -0.070 0.000 1.093 260 D HN 0.351 nan 8.370 nan 0.000 0.515 261 D N -0.254 120.074 120.400 -0.120 0.000 2.350 261 D HA 0.059 4.695 4.640 -0.007 0.000 0.213 261 D C 1.856 178.190 176.300 0.057 0.000 1.031 261 D CA 0.186 54.123 54.000 -0.104 0.000 0.861 261 D CB 0.376 41.106 40.800 -0.118 0.000 0.926 261 D HN 0.216 nan 8.370 nan 0.000 0.520 262 L N 0.260 121.523 121.223 0.067 0.000 2.270 262 L HA -0.027 4.309 4.340 -0.007 0.000 0.210 262 L C 2.111 179.083 176.870 0.169 0.000 1.104 262 L CA 0.841 55.778 54.840 0.161 0.000 0.804 262 L CB -0.604 41.539 42.059 0.140 0.000 0.937 262 L HN -0.008 nan 8.230 nan 0.000 0.450 263 T N -0.087 114.547 114.554 0.134 0.000 2.668 263 T HA -0.157 4.189 4.350 -0.007 0.000 0.262 263 T C 1.768 176.650 174.700 0.303 0.000 1.045 263 T CA 1.237 63.441 62.100 0.173 0.000 1.152 263 T CB -0.619 68.330 68.868 0.134 0.000 0.864 263 T HN 0.141 nan 8.240 nan 0.000 0.419 264 F N 1.389 121.352 119.950 0.021 0.000 2.236 264 F HA -0.130 4.393 4.527 -0.007 0.000 0.302 264 F C 2.607 178.418 175.800 0.017 0.000 1.073 264 F CA 0.767 58.778 58.000 0.018 0.000 1.336 264 F CB -0.126 38.893 39.000 0.031 0.000 1.040 264 F HN 0.115 nan 8.300 nan 0.000 0.507 265 K N -0.222 120.350 120.400 0.286 0.000 2.308 265 K HA 0.103 4.419 4.320 -0.007 0.000 0.197 265 K C 1.228 177.878 176.600 0.084 0.000 1.049 265 K CA -0.061 56.336 56.287 0.183 0.000 0.991 265 K CB 0.179 32.835 32.500 0.259 0.000 0.836 265 K HN 0.083 nan 8.250 nan 0.000 0.500 266 L N 1.219 122.521 121.223 0.131 0.000 3.062 266 L HA -0.035 4.301 4.340 -0.007 0.000 0.264 266 L C 0.694 177.540 176.870 -0.041 0.000 1.242 266 L CA 0.513 55.352 54.840 -0.002 0.000 1.072 266 L CB -0.781 41.300 42.059 0.038 0.000 1.420 266 L HN 0.246 nan 8.230 nan 0.000 0.412 267 A N -1.479 121.307 122.820 -0.057 0.000 1.808 267 A HA 0.073 4.388 4.320 -0.007 0.000 0.190 267 A C 1.499 178.973 177.584 -0.184 0.000 1.822 267 A CA 0.252 52.221 52.037 -0.114 0.000 1.090 267 A CB -0.055 18.875 19.000 -0.117 0.000 1.004 267 A HN 0.303 nan 8.150 nan 0.000 0.602 268 D N 0.774 121.021 120.400 -0.256 0.000 6.734 268 D HA -0.291 4.345 4.640 -0.007 0.000 0.249 268 D C 1.622 177.665 176.300 -0.429 0.000 1.914 268 D CA 2.489 56.143 54.000 -0.577 0.000 0.743 268 D CB -0.556 39.763 40.800 -0.802 0.000 0.703 268 D HN 0.549 nan 8.370 nan 0.000 0.928 269 I N 0.075 120.485 120.570 -0.267 0.000 2.162 269 I HA -0.175 3.990 4.170 -0.007 0.000 0.238 269 I C 2.582 178.620 176.117 -0.132 0.000 1.076 269 I CA 0.509 61.724 61.300 -0.141 0.000 1.353 269 I CB -0.189 37.718 38.000 -0.155 0.000 1.063 269 I HN -0.019 nan 8.210 nan 0.000 0.408 270 L N 0.966 122.107 121.223 -0.136 0.000 2.622 270 L HA -0.116 4.220 4.340 -0.007 0.000 0.233 270 L C 2.098 178.898 176.870 -0.116 0.000 1.156 270 L CA 0.845 55.610 54.840 -0.124 0.000 0.866 270 L CB -0.275 41.716 42.059 -0.114 0.000 0.980 270 L HN 0.126 nan 8.230 nan 0.000 0.448 271 K N 0.347 120.673 120.400 -0.124 0.000 1.978 271 K HA -0.112 4.204 4.320 -0.007 0.000 0.221 271 K C 2.032 178.581 176.600 -0.086 0.000 1.036 271 K CA 1.643 57.861 56.287 -0.114 0.000 0.996 271 K CB -0.519 31.898 32.500 -0.138 0.000 0.755 271 K HN 0.267 nan 8.250 nan 0.000 0.445 272 A N 0.711 123.494 122.820 -0.061 0.000 2.032 272 A HA -0.246 4.070 4.320 -0.007 0.000 0.221 272 A C 1.903 179.468 177.584 -0.032 0.000 1.165 272 A CA 2.300 54.325 52.037 -0.019 0.000 0.645 272 A CB -1.087 17.939 19.000 0.043 0.000 0.807 272 A HN 0.646 nan 8.150 nan 0.000 0.453 273 N N -0.592 118.077 118.700 -0.051 0.000 2.289 273 N HA -0.049 4.687 4.740 -0.007 0.000 0.184 273 N C 1.406 176.866 175.510 -0.083 0.000 1.016 273 N CA 1.359 54.372 53.050 -0.062 0.000 0.872 273 N CB -0.243 38.197 38.487 -0.078 0.000 0.973 273 N HN 0.583 nan 8.380 nan 0.000 0.433 274 I N -1.047 119.463 120.570 -0.100 0.000 2.400 274 I HA -0.155 4.011 4.170 -0.007 0.000 0.248 274 I C 2.205 178.275 176.117 -0.079 0.000 1.109 274 I CA 0.424 61.654 61.300 -0.116 0.000 1.425 274 I CB -0.454 37.431 38.000 -0.192 0.000 1.094 274 I HN 0.155 nan 8.210 nan 0.000 0.425 275 S N 1.159 116.825 115.700 -0.057 0.000 2.471 275 S HA -0.282 4.184 4.470 -0.007 0.000 0.260 275 S C 1.820 176.407 174.600 -0.022 0.000 1.116 275 S CA 1.979 60.160 58.200 -0.033 0.000 1.069 275 S CB -0.267 62.922 63.200 -0.017 0.000 0.897 275 S HN 0.355 nan 8.310 nan 0.000 0.471 276 L N 0.790 121.999 121.223 -0.024 0.000 2.388 276 L HA 0.288 4.624 4.340 -0.007 0.000 0.209 276 L C 2.546 179.402 176.870 -0.023 0.000 1.061 276 L CA 0.940 55.773 54.840 -0.012 0.000 0.834 276 L CB -0.421 41.636 42.059 -0.003 0.000 1.029 276 L HN 0.226 nan 8.230 nan 0.000 0.473 277 E N -0.628 119.539 120.200 -0.056 0.000 2.085 277 E HA -0.194 4.152 4.350 -0.007 0.000 0.194 277 E C 0.870 177.439 176.600 -0.052 0.000 0.994 277 E CA 1.612 57.963 56.400 -0.082 0.000 0.801 277 E CB -0.538 29.081 29.700 -0.135 0.000 0.743 277 E HN 0.343 nan 8.360 nan 0.000 0.453 278 T N 1.963 116.488 114.554 -0.047 0.000 3.928 278 T HA 0.073 4.418 4.350 -0.007 0.000 0.247 278 T C 1.045 175.745 174.700 -0.000 0.000 0.955 278 T CA 0.361 62.447 62.100 -0.022 0.000 0.935 278 T CB -0.303 68.544 68.868 -0.035 0.000 1.180 278 T HN 0.102 nan 8.240 nan 0.000 0.660 279 L N -1.082 120.152 121.223 0.018 0.000 3.821 279 L HA 0.263 4.599 4.340 -0.007 0.000 0.188 279 L C 2.015 178.909 176.870 0.040 0.000 1.156 279 L CA -0.379 54.475 54.840 0.023 0.000 0.888 279 L CB -0.514 41.559 42.059 0.023 0.000 1.614 279 L HN 0.080 nan 8.230 nan 0.000 0.671 280 E N 0.901 121.134 120.200 0.055 0.000 2.571 280 E HA -0.354 3.992 4.350 -0.007 0.000 0.249 280 E C 1.436 178.112 176.600 0.127 0.000 1.061 280 E CA 2.638 59.094 56.400 0.094 0.000 1.264 280 E CB -0.407 29.377 29.700 0.139 0.000 1.145 280 E HN 0.571 nan 8.360 nan 0.000 0.484 281 H N -0.915 118.145 119.070 -0.015 0.000 2.594 281 H HA 0.245 4.797 4.556 -0.007 0.000 0.279 281 H C 0.262 175.579 175.328 -0.019 0.000 1.042 281 H CA -0.557 55.482 56.048 -0.016 0.000 1.177 281 H CB 0.490 30.242 29.762 -0.016 0.000 1.524 281 H HN 0.023 nan 8.280 nan 0.000 0.537 282 N N -0.870 117.878 118.700 0.080 0.000 3.201 282 N HA 0.168 4.904 4.740 -0.007 0.000 0.344 282 N C 1.103 176.620 175.510 0.012 0.000 1.465 282 N CA 0.088 53.156 53.050 0.031 0.000 0.731 282 N CB 0.266 38.762 38.487 0.014 0.000 1.677 282 N HN 0.081 nan 8.380 nan 0.000 0.631 283 G N 0.072 108.873 108.800 0.002 0.000 5.258 283 G HA2 -0.256 3.700 3.960 -0.007 0.000 0.224 283 G HA3 -0.256 3.700 3.960 -0.007 0.000 0.224 283 G C 0.284 175.174 174.900 -0.016 0.000 0.971 283 G CA 1.048 46.144 45.100 -0.007 0.000 0.533 283 G HN 0.799 nan 8.290 nan 0.000 0.882 284 A N 1.118 123.925 122.820 -0.022 0.000 2.554 284 A HA 0.200 4.516 4.320 -0.007 0.000 0.303 284 A C -0.095 177.445 177.584 -0.073 0.000 1.416 284 A CA 0.514 52.528 52.037 -0.039 0.000 1.186 284 A CB -0.126 18.844 19.000 -0.051 0.000 0.839 284 A HN 0.444 nan 8.150 nan 0.000 0.506 285 P HA 0.289 nan 4.420 nan 0.000 0.215 285 P C 0.528 177.888 177.300 0.101 0.000 1.872 285 P CA -0.543 62.559 63.100 0.003 0.000 0.996 285 P CB 0.106 31.819 31.700 0.022 0.000 1.772 286 H N 0.479 119.582 119.070 0.054 0.000 1.455 286 H HA -0.260 4.292 4.556 -0.007 0.000 0.090 286 H C 0.064 175.523 175.328 0.219 0.000 0.566 286 H CA 2.010 58.113 56.048 0.092 0.000 1.901 286 H CB -1.725 28.055 29.762 0.030 0.000 2.257 286 H HN 0.480 nan 8.280 nan 0.000 0.961 287 H N 0.659 119.785 119.070 0.094 0.000 2.680 287 H HA 0.628 5.180 4.556 -0.007 0.000 0.260 287 H C 0.453 175.807 175.328 0.044 0.000 1.328 287 H CA 0.514 56.593 56.048 0.052 0.000 1.269 287 H CB 0.601 30.383 29.762 0.033 0.000 1.446 287 H HN 0.650 nan 8.280 nan 0.000 0.527 288 A N 2.665 125.543 122.820 0.096 0.000 2.413 288 A HA -0.046 4.270 4.320 -0.007 0.000 0.220 288 A C 0.763 178.377 177.584 0.050 0.000 2.888 288 A CA -0.159 51.917 52.037 0.064 0.000 1.570 288 A CB -1.145 17.902 19.000 0.078 0.000 0.161 288 A HN 0.511 nan 8.150 nan 0.000 0.550 289 I N 0.738 121.343 120.570 0.058 0.000 3.158 289 I HA -0.048 4.118 4.170 -0.007 0.000 0.224 289 I C 2.126 178.257 176.117 0.024 0.000 1.041 289 I CA 1.111 62.439 61.300 0.047 0.000 1.433 289 I CB -0.326 37.713 38.000 0.065 0.000 1.288 289 I HN 0.424 nan 8.210 nan 0.000 0.424 290 E N 1.392 121.596 120.200 0.007 0.000 2.512 290 E HA -0.302 4.044 4.350 -0.007 0.000 0.223 290 E C 1.442 178.037 176.600 -0.010 0.000 1.149 290 E CA 1.332 57.725 56.400 -0.012 0.000 0.917 290 E CB -0.616 29.047 29.700 -0.061 0.000 0.840 290 E HN 0.584 nan 8.360 nan 0.000 0.567 291 E N 0.787 120.984 120.200 -0.005 0.000 2.028 291 E HA -0.065 4.280 4.350 -0.007 0.000 0.190 291 E C 1.307 177.905 176.600 -0.003 0.000 0.984 291 E CA 1.151 57.546 56.400 -0.009 0.000 0.800 291 E CB -0.069 29.628 29.700 -0.005 0.000 0.758 291 E HN 0.299 nan 8.360 nan 0.000 0.448 292 A N 1.705 124.529 122.820 0.007 0.000 3.163 292 A HA 0.091 4.407 4.320 -0.007 0.000 0.283 292 A C 0.538 178.139 177.584 0.029 0.000 1.412 292 A CA -0.235 51.812 52.037 0.016 0.000 1.053 292 A CB -0.151 18.857 19.000 0.014 0.000 1.082 292 A HN 0.113 nan 8.150 nan 0.000 0.639 293 E N -0.412 119.811 120.200 0.037 0.000 2.676 293 E HA 0.006 4.352 4.350 -0.007 0.000 0.222 293 E C 1.062 177.712 176.600 0.083 0.000 0.968 293 E CA 0.825 57.255 56.400 0.049 0.000 1.090 293 E CB 0.548 30.272 29.700 0.040 0.000 1.066 293 E HN 0.696 nan 8.360 nan 0.000 0.496 294 S N -0.409 115.337 115.700 0.076 0.000 2.599 294 S HA 0.042 4.508 4.470 -0.007 0.000 0.236 294 S C 1.685 176.358 174.600 0.122 0.000 1.077 294 S CA -0.216 58.051 58.200 0.111 0.000 0.906 294 S CB 0.126 63.372 63.200 0.076 0.000 0.804 294 S HN -0.023 nan 8.310 nan 0.000 0.497 295 L N 2.054 123.297 121.223 0.033 0.000 1.924 295 L HA 0.055 4.391 4.340 -0.007 0.000 0.234 295 L C 2.305 179.320 176.870 0.243 0.000 1.090 295 L CA 1.733 56.616 54.840 0.072 0.000 0.816 295 L CB -1.295 40.806 42.059 0.070 0.000 0.901 295 L HN 0.371 nan 8.230 nan 0.000 0.433 296 L N -0.732 120.601 121.223 0.182 0.000 2.408 296 L HA -0.300 4.036 4.340 -0.007 0.000 0.220 296 L C 2.496 179.467 176.870 0.169 0.000 1.112 296 L CA 1.990 56.928 54.840 0.162 0.000 0.782 296 L CB -0.481 41.625 42.059 0.078 0.000 0.898 296 L HN 0.628 nan 8.230 nan 0.000 0.442 297 Q N -1.258 118.661 119.800 0.197 0.000 2.089 297 Q HA -0.187 4.149 4.340 -0.007 0.000 0.195 297 Q C 2.164 178.310 176.000 0.243 0.000 0.963 297 Q CA 1.671 57.592 55.803 0.197 0.000 0.834 297 Q CB -0.499 28.401 28.738 0.271 0.000 0.906 297 Q HN 0.509 nan 8.270 nan 0.000 0.452 298 F N 0.323 120.320 119.950 0.079 0.000 2.046 298 F HA -0.244 4.279 4.527 -0.007 0.000 0.297 298 F C 1.870 177.675 175.800 0.008 0.000 1.123 298 F CA 2.199 60.213 58.000 0.023 0.000 1.199 298 F CB -0.381 38.596 39.000 -0.039 0.000 0.972 298 F HN 0.241 nan 8.300 nan 0.000 0.474 299 H N -0.315 119.036 119.070 0.469 0.000 2.390 299 H HA -0.174 4.378 4.556 -0.007 0.000 0.298 299 H C 2.114 177.453 175.328 0.017 0.000 1.106 299 H CA 2.012 58.148 56.048 0.146 0.000 1.297 299 H CB -0.399 29.499 29.762 0.226 0.000 1.375 299 H HN 0.218 nan 8.280 nan 0.000 0.509 300 V N 0.412 120.408 119.914 0.137 0.000 3.026 300 V HA -0.217 3.899 4.120 -0.007 0.000 0.265 300 V C 2.188 178.318 176.094 0.059 0.000 1.121 300 V CA 1.299 63.635 62.300 0.060 0.000 1.142 300 V CB -0.866 30.969 31.823 0.020 0.000 0.730 300 V HN 0.563 nan 8.190 nan 0.000 0.503 301 A N -0.487 122.327 122.820 -0.010 0.000 1.881 301 A HA -0.063 4.253 4.320 -0.007 0.000 0.210 301 A C 2.331 179.858 177.584 -0.096 0.000 1.239 301 A CA 1.522 53.528 52.037 -0.051 0.000 0.629 301 A CB -0.974 17.975 19.000 -0.085 0.000 0.906 301 A HN 0.347 nan 8.150 nan 0.000 0.460 302 T N -0.714 113.674 114.554 -0.277 0.000 2.653 302 T HA -0.303 4.043 4.350 -0.007 0.000 0.267 302 T C 1.678 176.404 174.700 0.044 0.000 1.037 302 T CA 2.348 64.346 62.100 -0.170 0.000 1.159 302 T CB -0.609 68.025 68.868 -0.391 0.000 0.859 302 T HN 0.608 nan 8.240 nan 0.000 0.449 303 Y N 0.004 120.287 120.300 -0.028 0.000 2.465 303 Y HA -0.089 4.456 4.550 -0.007 0.000 0.289 303 Y C 2.070 177.974 175.900 0.005 0.000 1.150 303 Y CA 1.208 59.313 58.100 0.009 0.000 1.293 303 Y CB -0.225 38.248 38.460 0.023 0.000 0.977 303 Y HN 0.227 nan 8.280 nan 0.000 0.556 304 M N -0.643 118.947 119.600 -0.017 0.000 2.534 304 M HA 0.115 4.591 4.480 -0.007 0.000 0.263 304 M C -0.536 175.757 176.300 -0.012 0.000 1.152 304 M CA 0.609 55.875 55.300 -0.057 0.000 1.145 304 M CB 0.651 33.272 32.600 0.036 0.000 1.333 304 M HN 0.223 nan 8.290 nan 0.000 0.477 305 D N -0.914 119.476 120.400 -0.017 0.000 2.798 305 D HA 0.168 4.804 4.640 -0.007 0.000 0.265 305 D C -1.672 174.604 176.300 -0.039 0.000 1.223 305 D CA -0.360 53.632 54.000 -0.014 0.000 0.743 305 D CB 0.572 41.383 40.800 0.019 0.000 1.276 305 D HN 0.320 nan 8.370 nan 0.000 0.421 306 N N 0.592 119.274 118.700 -0.029 0.000 2.425 306 N HA 0.058 4.794 4.740 -0.007 0.000 0.237 306 N C -0.809 174.693 175.510 -0.013 0.000 1.406 306 N CA -0.313 52.718 53.050 -0.032 0.000 1.198 306 N CB 0.648 39.119 38.487 -0.028 0.000 1.331 306 N HN 0.176 nan 8.380 nan 0.000 0.550 307 D N 1.242 121.636 120.400 -0.010 0.000 2.349 307 D HA 0.123 4.759 4.640 -0.007 0.000 0.214 307 D C 0.688 176.988 176.300 0.000 0.000 1.063 307 D CA 0.056 54.053 54.000 -0.004 0.000 0.847 307 D CB 0.806 41.602 40.800 -0.007 0.000 0.933 307 D HN 0.365 nan 8.370 nan 0.000 0.513 308 I N -0.239 120.331 120.570 0.000 0.000 2.945 308 I HA 0.279 4.445 4.170 -0.007 0.000 0.292 308 I C 0.757 176.880 176.117 0.010 0.000 1.093 308 I CA -1.384 59.918 61.300 0.004 0.000 1.336 308 I CB -0.016 37.985 38.000 0.001 0.000 1.435 308 I HN -0.147 nan 8.210 nan 0.000 0.593 309 A N 3.280 126.107 122.820 0.012 0.000 1.596 309 A HA 0.238 4.553 4.320 -0.007 0.000 0.331 309 A C 1.306 178.907 177.584 0.028 0.000 0.991 309 A CA 0.977 53.024 52.037 0.017 0.000 1.487 309 A CB -1.859 17.149 19.000 0.013 0.000 0.709 309 A HN 2.587 nan 8.150 nan 0.000 0.181 310 G N 2.047 110.864 108.800 0.028 0.000 2.650 310 G HA2 -0.181 3.775 3.960 -0.007 0.000 0.264 310 G HA3 -0.181 3.775 3.960 -0.007 0.000 0.264 310 G C -0.100 174.828 174.900 0.047 0.000 1.263 310 G CA 0.441 45.565 45.100 0.039 0.000 0.960 310 G HN 1.604 nan 8.290 nan 0.000 0.548 311 Q N 1.667 121.510 119.800 0.072 0.000 2.316 311 Q HA 0.463 4.799 4.340 -0.007 0.000 0.264 311 Q C -1.356 174.692 176.000 0.080 0.000 0.987 311 Q CA -1.378 54.476 55.803 0.085 0.000 0.852 311 Q CB 2.683 31.500 28.738 0.131 0.000 1.287 311 Q HN 0.526 nan 8.270 nan 0.000 0.448 312 P HA 0.058 nan 4.420 nan 0.000 0.194 312 P C -0.139 177.209 177.300 0.079 0.000 1.105 312 P CA 0.690 63.819 63.100 0.048 0.000 0.797 312 P CB 0.892 32.613 31.700 0.036 0.000 0.687 313 Q N -2.899 116.954 119.800 0.089 0.000 2.473 313 Q HA 0.516 4.851 4.340 -0.007 0.000 0.346 313 Q C -0.627 175.439 176.000 0.110 0.000 0.618 313 Q CA -0.183 55.698 55.803 0.130 0.000 1.074 313 Q CB -0.136 28.697 28.738 0.159 0.000 1.109 313 Q HN 0.309 nan 8.270 nan 0.000 0.471 314 A N -0.827 122.073 122.820 0.133 0.000 3.522 314 A HA 0.238 4.554 4.320 -0.007 0.000 0.113 314 A C -0.892 176.770 177.584 0.129 0.000 1.309 314 A CA -0.127 51.978 52.037 0.114 0.000 1.277 314 A CB -0.710 18.339 19.000 0.083 0.000 0.984 314 A HN 0.202 nan 8.150 nan 0.000 0.456 315 L N -0.139 121.165 121.223 0.134 0.000 2.636 315 L HA 0.510 4.846 4.340 -0.007 0.000 0.163 315 L C 0.949 177.963 176.870 0.241 0.000 1.052 315 L CA 1.374 56.304 54.840 0.150 0.000 1.170 315 L CB -0.447 41.677 42.059 0.108 0.000 1.864 315 L HN 0.715 nan 8.230 nan 0.000 0.472 316 Q N -0.995 119.000 119.800 0.326 0.000 2.275 316 Q HA 0.291 4.627 4.340 -0.007 0.000 0.314 316 Q C -1.163 174.971 176.000 0.222 0.000 0.851 316 Q CA 0.076 55.980 55.803 0.169 0.000 1.083 316 Q CB 0.360 29.139 28.738 0.068 0.000 1.341 316 Q HN 0.487 nan 8.270 nan 0.000 0.402 317 K N -1.278 119.447 120.400 0.542 0.000 2.038 317 K HA -0.003 4.312 4.320 -0.007 0.000 0.133 317 K C -1.039 175.670 176.600 0.182 0.000 1.253 317 K CA 0.370 57.017 56.287 0.599 0.000 0.396 317 K CB -1.285 31.457 32.500 0.404 0.000 2.975 317 K HN 0.379 nan 8.250 nan 0.000 0.630 318 S N -2.103 113.676 115.700 0.131 0.000 3.331 318 S HA 0.767 5.233 4.470 -0.007 0.000 0.316 318 S C 0.995 175.636 174.600 0.069 0.000 1.104 318 S CA -0.579 57.655 58.200 0.057 0.000 0.977 318 S CB 0.483 63.679 63.200 -0.006 0.000 1.370 318 S HN 0.229 nan 8.310 nan 0.000 0.731 319 G N 0.676 109.502 108.800 0.043 0.000 2.711 319 G HA2 0.390 4.346 3.960 -0.007 0.000 0.186 319 G HA3 0.390 4.346 3.960 -0.007 0.000 0.186 319 G C 0.094 175.026 174.900 0.053 0.000 1.635 319 G CA -0.270 44.856 45.100 0.042 0.000 1.065 319 G HN 0.674 nan 8.290 nan 0.000 0.545 320 R N 0.707 121.234 120.500 0.045 0.000 3.010 320 R HA -0.024 4.312 4.340 -0.007 0.000 0.290 320 R C -1.390 174.923 176.300 0.021 0.000 0.947 320 R CA 1.200 57.323 56.100 0.038 0.000 1.164 320 R CB -0.162 30.150 30.300 0.020 0.000 1.119 320 R HN 0.429 nan 8.270 nan 0.000 0.482 321 P HA 0.217 nan 4.420 nan 0.000 0.319 321 P C -0.331 176.990 177.300 0.034 0.000 0.699 321 P CA 1.328 64.450 63.100 0.037 0.000 1.526 321 P CB 0.952 32.665 31.700 0.023 0.000 0.943 322 V N -4.992 114.932 119.914 0.017 0.000 3.373 322 V HA 0.239 4.355 4.120 -0.007 0.000 0.249 322 V C 0.237 176.330 176.094 -0.000 0.000 1.785 322 V CA 0.087 62.395 62.300 0.015 0.000 0.924 322 V CB -0.603 31.239 31.823 0.030 0.000 0.934 322 V HN 0.248 nan 8.190 nan 0.000 0.388 323 K N 1.312 121.708 120.400 -0.006 0.000 1.694 323 K HA 0.810 5.126 4.320 -0.007 0.000 0.294 323 K C 0.761 177.333 176.600 -0.048 0.000 0.847 323 K CA 0.420 56.693 56.287 -0.024 0.000 0.439 323 K CB 1.023 33.514 32.500 -0.016 0.000 3.046 323 K HN 1.152 nan 8.250 nan 0.000 1.079 324 S N -1.236 114.418 115.700 -0.075 0.000 7.077 324 S HA 0.023 4.489 4.470 -0.007 0.000 0.059 324 S C 0.403 174.913 174.600 -0.150 0.000 1.443 324 S CA 0.465 58.605 58.200 -0.100 0.000 1.058 324 S CB -0.542 62.623 63.200 -0.059 0.000 1.066 324 S HN 0.608 nan 8.310 nan 0.000 0.527 325 I N -0.268 120.229 120.570 -0.121 0.000 5.417 325 I HA 0.114 4.280 4.170 -0.007 0.000 0.339 325 I C 1.644 177.694 176.117 -0.112 0.000 0.801 325 I CA 0.314 61.517 61.300 -0.162 0.000 1.713 325 I CB -0.298 37.552 38.000 -0.250 0.000 2.787 325 I HN 0.298 nan 8.210 nan 0.000 0.916 326 R N 2.136 122.578 120.500 -0.097 0.000 2.051 326 R HA 0.077 4.413 4.340 -0.007 0.000 0.225 326 R C 2.020 178.283 176.300 -0.063 0.000 1.155 326 R CA 1.820 57.881 56.100 -0.065 0.000 0.945 326 R CB -0.084 30.204 30.300 -0.020 0.000 0.840 326 R HN 0.320 nan 8.270 nan 0.000 0.432 327 A N 0.919 123.707 122.820 -0.054 0.000 2.167 327 A HA -0.003 4.313 4.320 -0.007 0.000 0.214 327 A C 2.014 179.566 177.584 -0.054 0.000 1.151 327 A CA 0.335 52.343 52.037 -0.050 0.000 0.735 327 A CB -0.264 18.713 19.000 -0.039 0.000 0.802 327 A HN 0.308 nan 8.150 nan 0.000 0.467 328 R N -0.287 120.176 120.500 -0.062 0.000 2.088 328 R HA -0.103 4.232 4.340 -0.007 0.000 0.232 328 R C 1.840 178.105 176.300 -0.059 0.000 1.136 328 R CA 1.609 57.674 56.100 -0.058 0.000 0.926 328 R CB -0.692 29.570 30.300 -0.062 0.000 0.837 328 R HN 0.449 nan 8.270 nan 0.000 0.429 329 L N 1.199 122.379 121.223 -0.071 0.000 2.123 329 L HA -0.231 4.104 4.340 -0.007 0.000 0.217 329 L C 1.245 178.070 176.870 -0.075 0.000 1.081 329 L CA 1.515 56.306 54.840 -0.082 0.000 0.772 329 L CB -0.667 41.323 42.059 -0.115 0.000 0.890 329 L HN 0.235 nan 8.230 nan 0.000 0.437 330 K N 0.501 120.861 120.400 -0.067 0.000 2.294 330 K HA 0.156 4.472 4.320 -0.007 0.000 0.288 330 K C 0.645 177.213 176.600 -0.053 0.000 1.072 330 K CA 0.733 56.984 56.287 -0.060 0.000 0.960 330 K CB -0.085 32.382 32.500 -0.055 0.000 1.043 330 K HN 0.370 nan 8.250 nan 0.000 0.455 331 G N 3.579 112.348 108.800 -0.053 0.000 2.256 331 G HA2 -0.323 3.633 3.960 -0.007 0.000 0.272 331 G HA3 -0.323 3.633 3.960 -0.007 0.000 0.272 331 G C -0.331 174.537 174.900 -0.054 0.000 1.076 331 G CA 0.762 45.828 45.100 -0.057 0.000 0.882 331 G HN 0.789 nan 8.290 nan 0.000 0.497 332 K N -1.250 119.126 120.400 -0.041 0.000 10.012 332 K HA 0.012 4.328 4.320 -0.007 0.000 0.942 332 K C 0.772 177.354 176.600 -0.031 0.000 2.417 332 K CA 1.118 57.385 56.287 -0.033 0.000 1.482 332 K CB -0.943 31.531 32.500 -0.042 0.000 1.762 332 K HN 0.924 nan 8.250 nan 0.000 0.414 333 E N -1.567 118.619 120.200 -0.024 0.000 2.885 333 E HA -0.235 4.111 4.350 -0.007 0.000 0.267 333 E C 0.118 176.702 176.600 -0.027 0.000 1.100 333 E CA 1.957 58.343 56.400 -0.023 0.000 0.779 333 E CB -1.630 28.054 29.700 -0.026 0.000 1.383 333 E HN 0.875 nan 8.360 nan 0.000 0.443 334 G N -0.397 108.385 108.800 -0.029 0.000 2.741 334 G HA2 0.423 4.379 3.960 -0.007 0.000 0.293 334 G HA3 0.423 4.379 3.960 -0.007 0.000 0.293 334 G C 0.637 175.517 174.900 -0.032 0.000 1.457 334 G CA -0.552 44.527 45.100 -0.035 0.000 1.098 334 G HN -0.128 nan 8.290 nan 0.000 0.536 335 R N 1.088 121.569 120.500 -0.032 0.000 2.902 335 R HA -0.330 4.005 4.340 -0.007 0.000 0.482 335 R C 2.354 178.642 176.300 -0.021 0.000 0.689 335 R CA 1.808 57.892 56.100 -0.027 0.000 0.717 335 R CB -1.489 28.792 30.300 -0.031 0.000 0.616 335 R HN 0.691 nan 8.270 nan 0.000 0.322 336 I N 0.474 121.030 120.570 -0.024 0.000 3.256 336 I HA -0.493 3.673 4.170 -0.007 0.000 0.193 336 I C 2.742 178.857 176.117 -0.003 0.000 0.822 336 I CA 2.399 63.691 61.300 -0.013 0.000 1.104 336 I CB -0.400 37.589 38.000 -0.019 0.000 0.853 336 I HN 0.353 nan 8.210 nan 0.000 0.331 337 R N 0.475 120.972 120.500 -0.005 0.000 2.097 337 R HA -0.167 4.169 4.340 -0.007 0.000 0.236 337 R C 1.885 178.183 176.300 -0.003 0.000 1.135 337 R CA 2.204 58.303 56.100 -0.001 0.000 0.934 337 R CB -0.929 29.364 30.300 -0.012 0.000 0.846 337 R HN 0.595 nan 8.270 nan 0.000 0.431 338 G N -0.947 107.847 108.800 -0.010 0.000 3.277 338 G HA2 0.005 3.961 3.960 -0.007 0.000 0.243 338 G HA3 0.005 3.961 3.960 -0.007 0.000 0.243 338 G C 0.506 175.402 174.900 -0.007 0.000 1.107 338 G CA -0.269 44.827 45.100 -0.007 0.000 0.771 338 G HN 0.258 nan 8.290 nan 0.000 0.544 339 N N -0.144 118.551 118.700 -0.009 0.000 2.160 339 N HA 0.262 4.998 4.740 -0.007 0.000 0.226 339 N C 1.008 176.515 175.510 -0.005 0.000 1.256 339 N CA -0.032 53.014 53.050 -0.008 0.000 0.890 339 N CB 1.262 39.742 38.487 -0.012 0.000 1.116 339 N HN 0.242 nan 8.380 nan 0.000 0.517 340 L N -0.599 120.622 121.223 -0.003 0.000 2.953 340 L HA 0.354 4.690 4.340 -0.007 0.000 0.258 340 L C 1.616 178.486 176.870 0.001 0.000 1.100 340 L CA 0.239 55.078 54.840 -0.002 0.000 0.971 340 L CB 0.469 42.526 42.059 -0.003 0.000 1.474 340 L HN -0.037 nan 8.230 nan 0.000 0.540 341 M N -0.887 118.715 119.600 0.003 0.000 2.492 341 M HA 0.279 4.754 4.480 -0.007 0.000 0.255 341 M C 0.538 176.841 176.300 0.005 0.000 1.139 341 M CA 0.412 55.715 55.300 0.006 0.000 1.096 341 M CB 0.620 33.228 32.600 0.014 0.000 1.360 341 M HN 0.194 nan 8.290 nan 0.000 0.480 342 G N 1.679 110.483 108.800 0.006 0.000 2.954 342 G HA2 0.455 4.411 3.960 -0.007 0.000 0.290 342 G HA3 0.455 4.411 3.960 -0.007 0.000 0.290 342 G C -0.906 174.000 174.900 0.009 0.000 1.574 342 G CA -0.548 44.557 45.100 0.008 0.000 1.088 342 G HN 0.108 nan 8.290 nan 0.000 0.557 343 K N 1.092 121.499 120.400 0.012 0.000 2.106 343 K HA 0.574 4.890 4.320 -0.007 0.000 0.246 343 K C 0.286 176.900 176.600 0.024 0.000 0.987 343 K CA -0.762 55.532 56.287 0.012 0.000 0.904 343 K CB 1.961 34.466 32.500 0.008 0.000 1.071 343 K HN 0.320 nan 8.250 nan 0.000 0.453 344 R N 0.731 121.241 120.500 0.017 0.000 2.573 344 R HA 0.494 4.830 4.340 -0.007 0.000 0.272 344 R C -0.886 175.429 176.300 0.025 0.000 1.009 344 R CA -0.642 55.473 56.100 0.026 0.000 1.059 344 R CB 1.228 31.535 30.300 0.011 0.000 1.112 344 R HN 0.529 nan 8.270 nan 0.000 0.517 345 V N -1.107 118.831 119.914 0.041 0.000 3.147 345 V HA 0.408 4.523 4.120 -0.007 0.000 0.306 345 V C -0.987 175.123 176.094 0.026 0.000 1.209 345 V CA -1.286 61.039 62.300 0.042 0.000 1.023 345 V CB 2.025 33.908 31.823 0.100 0.000 1.059 345 V HN 0.626 nan 8.190 nan 0.000 0.435 346 D N 1.234 121.615 120.400 -0.031 0.000 2.361 346 D HA 0.390 5.026 4.640 -0.007 0.000 0.239 346 D C 0.394 176.762 176.300 0.113 0.000 1.200 346 D CA 0.538 54.455 54.000 -0.139 0.000 0.915 346 D CB -0.027 40.439 40.800 -0.557 0.000 1.170 346 D HN 0.794 nan 8.370 nan 0.000 0.444 347 F N -0.993 118.971 119.950 0.023 0.000 2.983 347 F HA -0.284 4.238 4.527 -0.008 0.000 0.288 347 F C 0.541 176.367 175.800 0.043 0.000 0.980 347 F CA -0.043 57.980 58.000 0.039 0.000 0.965 347 F CB -1.738 37.291 39.000 0.048 0.000 0.967 347 F HN 0.235 nan 8.300 nan 0.000 0.800 348 S N -0.916 114.878 115.700 0.157 0.000 2.840 348 S HA 1.037 5.503 4.470 -0.007 0.000 0.307 348 S C -0.285 174.321 174.600 0.010 0.000 1.180 348 S CA -0.446 57.739 58.200 -0.026 0.000 0.846 348 S CB 2.543 65.671 63.200 -0.121 0.000 1.233 348 S HN 1.403 nan 8.310 nan 0.000 0.548 349 A N -0.111 122.693 122.820 -0.026 0.000 2.415 349 A HA 0.860 5.176 4.320 -0.007 0.000 0.294 349 A C -1.389 176.294 177.584 0.165 0.000 1.019 349 A CA -0.496 51.600 52.037 0.098 0.000 0.603 349 A CB 0.647 19.763 19.000 0.193 0.000 1.382 349 A HN 1.581 nan 8.150 nan 0.000 0.483 350 R N -0.291 120.306 120.500 0.161 0.000 3.513 350 R HA 0.577 4.913 4.340 -0.007 0.000 0.243 350 R C -1.420 174.911 176.300 0.051 0.000 1.033 350 R CA 0.364 56.598 56.100 0.223 0.000 1.083 350 R CB 0.805 31.173 30.300 0.114 0.000 1.246 350 R HN 1.187 nan 8.270 nan 0.000 0.526 351 T N 1.054 115.658 114.554 0.083 0.000 2.598 351 T HA 0.430 4.776 4.350 -0.007 0.000 0.289 351 T C -0.636 174.121 174.700 0.095 0.000 1.056 351 T CA -0.504 61.562 62.100 -0.057 0.000 1.088 351 T CB 1.010 69.721 68.868 -0.261 0.000 1.519 351 T HN 0.291 nan 8.240 nan 0.000 0.488 352 V N 1.302 121.248 119.914 0.054 0.000 3.295 352 V HA 0.723 4.839 4.120 -0.007 0.000 0.308 352 V C -0.131 176.066 176.094 0.172 0.000 1.068 352 V CA -0.353 62.007 62.300 0.100 0.000 1.062 352 V CB 1.081 32.937 31.823 0.055 0.000 1.162 352 V HN 0.792 nan 8.190 nan 0.000 0.456 353 I N -0.557 120.133 120.570 0.199 0.000 3.195 353 I HA 0.926 5.092 4.170 -0.007 0.000 0.313 353 I C -0.599 175.610 176.117 0.153 0.000 1.237 353 I CA -0.445 60.998 61.300 0.238 0.000 0.963 353 I CB 2.443 40.666 38.000 0.371 0.000 1.278 353 I HN 0.665 nan 8.210 nan 0.000 0.460 354 S N 1.070 116.708 115.700 -0.104 0.000 2.643 354 S HA 0.884 5.350 4.470 -0.007 0.000 0.270 354 S C -0.514 173.381 174.600 -1.176 0.000 1.166 354 S CA -0.362 57.364 58.200 -0.791 0.000 0.815 354 S CB 0.990 63.915 63.200 -0.459 0.000 1.139 354 S HN 1.272 nan 8.310 nan 0.000 0.472 355 G N -0.659 107.119 108.800 -1.705 0.000 2.509 355 G HA2 0.667 4.623 3.960 -0.007 0.000 0.328 355 G HA3 0.667 4.623 3.960 -0.007 0.000 0.328 355 G C -1.595 173.073 174.900 -0.386 0.000 1.194 355 G CA -0.381 44.218 45.100 -0.835 0.000 0.967 355 G HN 0.936 nan 8.290 nan 0.000 0.488 356 D N -0.055 120.239 120.400 -0.177 0.000 2.301 356 D HA 0.172 4.808 4.640 -0.007 0.000 0.203 356 D C -1.999 174.261 176.300 -0.068 0.000 1.300 356 D CA -1.135 52.789 54.000 -0.127 0.000 0.899 356 D CB 1.780 42.492 40.800 -0.147 0.000 1.597 356 D HN 0.112 nan 8.370 nan 0.000 0.538 357 P HA -0.066 nan 4.420 nan 0.000 0.224 357 P C -0.122 177.170 177.300 -0.014 0.000 1.142 357 P CA 0.661 63.744 63.100 -0.029 0.000 0.778 357 P CB 0.181 31.858 31.700 -0.038 0.000 0.764 358 N N 0.009 118.706 118.700 -0.005 0.000 2.635 358 N HA 0.228 4.963 4.740 -0.007 0.000 0.307 358 N C -0.256 175.265 175.510 0.019 0.000 1.433 358 N CA -0.096 52.977 53.050 0.038 0.000 0.973 358 N CB 0.724 39.263 38.487 0.087 0.000 1.304 358 N HN 0.252 nan 8.380 nan 0.000 0.507 359 L N 0.064 121.287 121.223 -0.000 0.000 2.354 359 L HA 0.433 4.769 4.340 -0.007 0.000 0.264 359 L C -0.445 176.428 176.870 0.005 0.000 1.008 359 L CA -0.656 54.175 54.840 -0.014 0.000 0.819 359 L CB 2.296 44.326 42.059 -0.049 0.000 1.339 359 L HN -0.066 nan 8.230 nan 0.000 0.420 360 E N 1.759 121.966 120.200 0.012 0.000 2.248 360 E HA 0.107 4.453 4.350 -0.007 0.000 0.272 360 E C 0.639 177.260 176.600 0.034 0.000 1.008 360 E CA -0.587 55.836 56.400 0.038 0.000 0.856 360 E CB 1.559 31.294 29.700 0.058 0.000 1.120 360 E HN 0.504 nan 8.360 nan 0.000 0.397 361 L N 2.011 123.263 121.223 0.048 0.000 2.119 361 L HA -0.260 4.076 4.340 -0.007 0.000 0.226 361 L C 0.999 177.914 176.870 0.075 0.000 1.093 361 L CA 2.461 57.315 54.840 0.024 0.000 0.806 361 L CB -0.359 41.724 42.059 0.040 0.000 0.902 361 L HN 0.623 nan 8.230 nan 0.000 0.444 362 D N -1.815 118.642 120.400 0.094 0.000 2.755 362 D HA 0.092 4.728 4.640 -0.007 0.000 0.257 362 D C 0.366 176.782 176.300 0.193 0.000 1.291 362 D CA -0.230 53.878 54.000 0.180 0.000 0.836 362 D CB 0.044 40.909 40.800 0.108 0.000 1.059 362 D HN 0.495 nan 8.370 nan 0.000 0.486 363 Q N -0.337 119.506 119.800 0.073 0.000 2.293 363 Q HA 0.628 4.964 4.340 -0.007 0.000 0.216 363 Q C -0.928 174.884 176.000 -0.314 0.000 1.003 363 Q CA -1.265 54.508 55.803 -0.051 0.000 0.995 363 Q CB 2.963 31.666 28.738 -0.057 0.000 1.172 363 Q HN 0.111 nan 8.270 nan 0.000 0.518 364 V N -0.696 119.006 119.914 -0.353 0.000 2.766 364 V HA 0.398 4.513 4.120 -0.007 0.000 0.286 364 V C -0.941 174.973 176.094 -0.300 0.000 1.237 364 V CA -0.409 61.570 62.300 -0.535 0.000 0.934 364 V CB 1.178 32.461 31.823 -0.900 0.000 1.068 364 V HN 0.800 nan 8.190 nan 0.000 0.451 365 G N 5.958 114.633 108.800 -0.210 0.000 2.363 365 G HA2 0.435 4.391 3.960 -0.007 0.000 0.285 365 G HA3 0.435 4.391 3.960 -0.007 0.000 0.285 365 G C -0.142 174.769 174.900 0.019 0.000 1.084 365 G CA 0.140 45.184 45.100 -0.092 0.000 1.216 365 G HN 1.084 nan 8.290 nan 0.000 0.429 366 V N 6.275 126.210 119.914 0.034 0.000 2.546 366 V HA 0.319 4.435 4.120 -0.007 0.000 0.284 366 V C -1.594 174.507 176.094 0.012 0.000 1.050 366 V CA -1.412 60.973 62.300 0.141 0.000 0.981 366 V CB 1.833 33.738 31.823 0.136 0.000 0.990 366 V HN 0.593 nan 8.190 nan 0.000 0.474 367 P HA 0.298 nan 4.420 nan 0.000 0.284 367 P C 0.194 177.450 177.300 -0.074 0.000 1.258 367 P CA -0.707 62.349 63.100 -0.074 0.000 0.824 367 P CB 1.772 33.410 31.700 -0.103 0.000 1.038 368 K N 2.045 122.393 120.400 -0.088 0.000 1.971 368 K HA -0.196 4.120 4.320 -0.007 0.000 0.221 368 K C 2.031 178.590 176.600 -0.068 0.000 1.050 368 K CA 2.938 59.153 56.287 -0.120 0.000 0.967 368 K CB -0.981 31.437 32.500 -0.135 0.000 0.733 368 K HN 0.459 nan 8.250 nan 0.000 0.445 369 S N 0.435 116.103 115.700 -0.053 0.000 2.432 369 S HA -0.254 4.212 4.470 -0.007 0.000 0.243 369 S C 1.961 176.568 174.600 0.011 0.000 1.069 369 S CA 1.908 60.098 58.200 -0.017 0.000 1.047 369 S CB -0.823 62.360 63.200 -0.029 0.000 0.854 369 S HN 0.418 nan 8.310 nan 0.000 0.474 370 I N 1.438 122.004 120.570 -0.007 0.000 2.617 370 I HA 0.046 4.211 4.170 -0.007 0.000 0.256 370 I C 2.655 178.824 176.117 0.087 0.000 1.167 370 I CA 0.909 62.225 61.300 0.027 0.000 1.469 370 I CB -0.290 37.711 38.000 0.003 0.000 1.098 370 I HN 0.432 nan 8.210 nan 0.000 0.436 371 A N -0.268 122.596 122.820 0.074 0.000 2.123 371 A HA -0.052 4.264 4.320 -0.007 0.000 0.214 371 A C 2.101 179.781 177.584 0.160 0.000 1.152 371 A CA 0.717 52.831 52.037 0.130 0.000 0.728 371 A CB -0.229 18.838 19.000 0.112 0.000 0.814 371 A HN 0.220 nan 8.150 nan 0.000 0.464 372 K N -0.550 119.925 120.400 0.125 0.000 2.486 372 K HA 0.019 4.335 4.320 -0.007 0.000 0.194 372 K C 1.057 177.849 176.600 0.319 0.000 1.033 372 K CA 1.131 57.519 56.287 0.169 0.000 1.004 372 K CB 0.097 32.688 32.500 0.151 0.000 0.798 372 K HN 0.512 nan 8.250 nan 0.000 0.495 373 T N 0.715 115.402 114.554 0.221 0.000 3.252 373 T HA 0.143 4.489 4.350 -0.007 0.000 0.233 373 T C 0.572 175.404 174.700 0.220 0.000 0.975 373 T CA -0.251 61.970 62.100 0.202 0.000 1.318 373 T CB -0.058 68.896 68.868 0.144 0.000 1.014 373 T HN -0.047 nan 8.240 nan 0.000 0.418 374 L N 1.900 123.245 121.223 0.204 0.000 2.554 374 L HA 0.198 4.534 4.340 -0.007 0.000 0.293 374 L C 0.605 177.580 176.870 0.175 0.000 1.252 374 L CA 0.297 55.264 54.840 0.212 0.000 0.862 374 L CB -0.028 42.137 42.059 0.177 0.000 1.113 374 L HN 0.253 nan 8.230 nan 0.000 0.510 375 T N 0.998 115.606 114.554 0.090 0.000 2.901 375 T HA 0.529 4.874 4.350 -0.007 0.000 0.293 375 T C -1.695 172.935 174.700 -0.117 0.000 1.084 375 T CA -0.461 61.660 62.100 0.035 0.000 1.008 375 T CB 1.037 69.959 68.868 0.091 0.000 1.170 375 T HN 0.420 nan 8.240 nan 0.000 0.509 376 Y N 4.269 124.505 120.300 -0.107 0.000 2.317 376 Y HA 0.456 5.002 4.550 -0.008 0.000 0.325 376 Y C -2.520 173.337 175.900 -0.071 0.000 1.066 376 Y CA -2.254 55.763 58.100 -0.139 0.000 1.203 376 Y CB 1.798 40.210 38.460 -0.079 0.000 1.127 376 Y HN 0.388 nan 8.280 nan 0.000 0.451 377 P HA -0.065 nan 4.420 nan 0.000 0.258 377 P C -0.745 176.520 177.300 -0.058 0.000 1.187 377 P CA 0.620 63.546 63.100 -0.290 0.000 0.767 377 P CB 0.966 32.428 31.700 -0.397 0.000 0.770 378 E N 2.905 123.214 120.200 0.181 0.000 2.179 378 E HA 0.359 4.705 4.350 -0.007 0.000 0.275 378 E C -0.903 175.808 176.600 0.185 0.000 0.945 378 E CA -0.997 55.572 56.400 0.282 0.000 0.792 378 E CB 1.401 31.238 29.700 0.229 0.000 1.125 378 E HN 0.108 nan 8.360 nan 0.000 0.397 379 V N 4.780 124.807 119.914 0.189 0.000 2.509 379 V HA 0.118 4.234 4.120 -0.007 0.000 0.284 379 V C -0.265 175.929 176.094 0.166 0.000 1.047 379 V CA -0.793 61.605 62.300 0.164 0.000 0.952 379 V CB 1.593 33.506 31.823 0.151 0.000 0.988 379 V HN 0.621 nan 8.190 nan 0.000 0.469 380 V N 4.190 124.208 119.914 0.173 0.000 2.717 380 V HA 0.136 4.252 4.120 -0.007 0.000 0.302 380 V C 0.411 176.623 176.094 0.198 0.000 1.097 380 V CA 0.747 63.145 62.300 0.164 0.000 1.262 380 V CB -0.825 31.105 31.823 0.178 0.000 0.846 380 V HN 1.014 nan 8.190 nan 0.000 0.485 381 T N 6.690 121.358 114.554 0.190 0.000 3.225 381 T HA 0.354 4.700 4.350 -0.007 0.000 0.356 381 T C -1.891 172.939 174.700 0.217 0.000 1.460 381 T CA -0.269 61.971 62.100 0.233 0.000 1.126 381 T CB 2.298 71.230 68.868 0.106 0.000 1.321 381 T HN 0.429 nan 8.240 nan 0.000 0.478 382 P HA -0.319 nan 4.420 nan 0.000 0.230 382 P C 1.168 178.567 177.300 0.165 0.000 1.124 382 P CA 1.990 65.196 63.100 0.178 0.000 0.985 382 P CB -0.194 31.357 31.700 -0.247 0.000 0.774 383 Y N 0.673 121.041 120.300 0.114 0.000 2.139 383 Y HA -0.284 4.261 4.550 -0.007 0.000 0.282 383 Y C 2.661 178.603 175.900 0.070 0.000 1.179 383 Y CA 1.404 59.547 58.100 0.072 0.000 1.161 383 Y CB -0.826 37.665 38.460 0.053 0.000 0.970 383 Y HN 0.252 nan 8.280 nan 0.000 0.511 384 N N -0.536 118.292 118.700 0.212 0.000 2.545 384 N HA -0.040 4.696 4.740 -0.007 0.000 0.190 384 N C 1.338 176.900 175.510 0.086 0.000 1.043 384 N CA 0.652 53.785 53.050 0.137 0.000 0.879 384 N CB -1.029 37.541 38.487 0.139 0.000 1.210 384 N HN 0.282 nan 8.380 nan 0.000 0.437 385 I N 1.895 122.508 120.570 0.072 0.000 2.322 385 I HA -0.463 3.703 4.170 -0.007 0.000 0.235 385 I C 1.526 177.654 176.117 0.019 0.000 0.967 385 I CA 2.207 63.518 61.300 0.020 0.000 1.260 385 I CB -0.562 37.416 38.000 -0.037 0.000 0.968 385 I HN 0.161 nan 8.210 nan 0.000 0.398 386 D N 0.176 120.593 120.400 0.027 0.000 2.177 386 D HA -0.281 4.355 4.640 -0.007 0.000 0.189 386 D C 2.091 178.405 176.300 0.024 0.000 1.002 386 D CA 2.025 56.038 54.000 0.021 0.000 0.845 386 D CB -0.604 40.213 40.800 0.029 0.000 0.960 386 D HN 0.459 nan 8.370 nan 0.000 0.447 387 R N 0.930 121.451 120.500 0.035 0.000 2.064 387 R HA -0.093 4.243 4.340 -0.007 0.000 0.228 387 R C 2.718 179.039 176.300 0.036 0.000 1.144 387 R CA 0.718 56.839 56.100 0.034 0.000 0.932 387 R CB -0.915 29.407 30.300 0.038 0.000 0.833 387 R HN 0.183 nan 8.270 nan 0.000 0.429 388 L N 0.915 122.165 121.223 0.045 0.000 2.026 388 L HA -0.320 4.016 4.340 -0.007 0.000 0.231 388 L C 2.411 179.303 176.870 0.038 0.000 1.095 388 L CA 2.583 57.451 54.840 0.048 0.000 0.810 388 L CB -0.726 41.367 42.059 0.057 0.000 0.909 388 L HN 0.441 nan 8.230 nan 0.000 0.444 389 T N -1.350 113.220 114.554 0.025 0.000 2.665 389 T HA -0.343 4.003 4.350 -0.007 0.000 0.268 389 T C 1.612 176.324 174.700 0.020 0.000 1.035 389 T CA 1.800 63.911 62.100 0.018 0.000 1.151 389 T CB -0.352 68.514 68.868 -0.002 0.000 0.862 389 T HN 0.368 nan 8.240 nan 0.000 0.438 390 Q N 0.472 120.284 119.800 0.020 0.000 2.449 390 Q HA -0.055 4.281 4.340 -0.007 0.000 0.214 390 Q C 1.830 177.845 176.000 0.026 0.000 0.986 390 Q CA 1.107 56.922 55.803 0.020 0.000 0.893 390 Q CB -0.467 28.283 28.738 0.020 0.000 0.940 390 Q HN 0.487 nan 8.270 nan 0.000 0.477 391 L N -1.476 119.766 121.223 0.030 0.000 2.121 391 L HA -0.038 4.298 4.340 -0.007 0.000 0.200 391 L C 2.203 179.089 176.870 0.026 0.000 1.077 391 L CA 0.856 55.719 54.840 0.038 0.000 0.766 391 L CB -1.321 40.766 42.059 0.046 0.000 0.931 391 L HN 0.100 nan 8.230 nan 0.000 0.452 392 V N 0.493 120.420 119.914 0.021 0.000 2.357 392 V HA -0.355 3.761 4.120 -0.007 0.000 0.257 392 V C 2.744 178.842 176.094 0.006 0.000 1.082 392 V CA 2.059 64.366 62.300 0.010 0.000 1.078 392 V CB -0.850 30.989 31.823 0.027 0.000 0.663 392 V HN 0.443 nan 8.190 nan 0.000 0.455 393 R N -0.549 119.960 120.500 0.015 0.000 2.055 393 R HA -0.068 4.268 4.340 -0.007 0.000 0.226 393 R C 2.426 178.737 176.300 0.019 0.000 1.135 393 R CA 1.113 57.221 56.100 0.015 0.000 0.959 393 R CB -0.307 30.003 30.300 0.015 0.000 0.854 393 R HN 0.495 nan 8.270 nan 0.000 0.431 394 N N -0.190 118.526 118.700 0.027 0.000 2.049 394 N HA -0.153 4.583 4.740 -0.007 0.000 0.198 394 N C 0.857 176.390 175.510 0.038 0.000 1.030 394 N CA 1.865 54.939 53.050 0.039 0.000 0.870 394 N CB -0.272 38.252 38.487 0.063 0.000 1.045 394 N HN 0.469 nan 8.380 nan 0.000 0.434 395 G N -1.580 107.232 108.800 0.021 0.000 2.462 395 G HA2 -0.099 3.857 3.960 -0.007 0.000 0.685 395 G HA3 -0.099 3.857 3.960 -0.007 0.000 0.685 395 G C -2.736 172.157 174.900 -0.011 0.000 1.295 395 G CA -0.175 44.923 45.100 -0.003 0.000 0.941 395 G HN 0.125 nan 8.290 nan 0.000 0.554 396 P HA 0.263 nan 4.420 nan 0.000 0.241 396 P C -0.058 177.320 177.300 0.130 0.000 1.783 396 P CA -0.003 63.070 63.100 -0.046 0.000 1.052 396 P CB -0.322 31.296 31.700 -0.136 0.000 1.594 397 N N -1.730 117.072 118.700 0.170 0.000 1.938 397 N HA 0.055 4.791 4.740 -0.007 0.000 0.225 397 N C 0.019 175.604 175.510 0.125 0.000 1.400 397 N CA -0.147 52.983 53.050 0.133 0.000 0.772 397 N CB 0.468 38.998 38.487 0.072 0.000 1.124 397 N HN 0.084 nan 8.380 nan 0.000 0.513 398 E N 0.444 120.733 120.200 0.148 0.000 2.179 398 E HA 0.136 4.482 4.350 -0.007 0.000 0.275 398 E C 0.133 176.802 176.600 0.116 0.000 0.945 398 E CA -0.425 56.036 56.400 0.103 0.000 0.792 398 E CB 1.458 31.206 29.700 0.080 0.000 1.125 398 E HN 0.154 nan 8.360 nan 0.000 0.397 399 H N 5.367 124.412 119.070 -0.042 0.000 2.734 399 H HA -0.201 4.350 4.556 -0.008 0.000 0.206 399 H C -1.382 173.806 175.328 -0.234 0.000 0.991 399 H CA 2.794 58.754 56.048 -0.145 0.000 1.539 399 H CB -1.248 28.442 29.762 -0.119 0.000 2.056 399 H HN 0.445 nan 8.280 nan 0.000 1.035 400 P HA -0.027 nan 4.420 nan 0.000 0.302 400 P C -0.095 177.136 177.300 -0.115 0.000 1.472 400 P CA 1.252 64.096 63.100 -0.428 0.000 0.748 400 P CB -0.749 30.892 31.700 -0.099 0.000 1.560 401 G N -1.273 107.620 108.800 0.154 0.000 2.940 401 G HA2 0.743 4.698 3.960 -0.007 0.000 0.164 401 G HA3 0.743 4.698 3.960 -0.007 0.000 0.164 401 G C -0.592 174.498 174.900 0.316 0.000 1.326 401 G CA -0.001 45.366 45.100 0.445 0.000 1.020 401 G HN 0.293 nan 8.290 nan 0.000 0.586 402 A N -1.772 120.920 122.820 -0.212 0.000 3.005 402 A HA 0.896 5.212 4.320 -0.007 0.000 0.282 402 A C -0.806 176.518 177.584 -0.433 0.000 1.218 402 A CA -0.532 51.207 52.037 -0.497 0.000 0.703 402 A CB 1.225 20.133 19.000 -0.155 0.000 1.387 402 A HN 0.614 nan 8.150 nan 0.000 0.592 403 K N -1.341 118.945 120.400 -0.190 0.000 2.466 403 K HA 0.537 4.853 4.320 -0.007 0.000 0.277 403 K C -1.474 175.211 176.600 0.142 0.000 1.039 403 K CA -0.883 55.346 56.287 -0.097 0.000 0.904 403 K CB 0.490 33.022 32.500 0.054 0.000 1.506 403 K HN 0.627 nan 8.250 nan 0.000 0.441 404 Y N -0.643 119.589 120.300 -0.114 0.000 3.134 404 Y HA -0.212 4.337 4.550 -0.002 0.000 0.394 404 Y C 0.014 175.865 175.900 -0.082 0.000 1.018 404 Y CA -0.141 57.902 58.100 -0.095 0.000 1.460 404 Y CB -0.931 37.477 38.460 -0.086 0.000 0.956 404 Y HN 0.235 nan 8.280 nan 0.000 0.551 405 V N 4.633 124.603 119.914 0.093 0.000 2.760 405 V HA 0.698 4.814 4.120 -0.007 0.000 0.309 405 V C -0.542 175.473 176.094 -0.131 0.000 1.077 405 V CA -0.958 61.341 62.300 -0.002 0.000 0.910 405 V CB 1.930 33.749 31.823 -0.006 0.000 1.008 405 V HN 0.557 nan 8.190 nan 0.000 0.424 406 I N 3.744 124.170 120.570 -0.240 0.000 2.647 406 I HA 0.767 4.933 4.170 -0.007 0.000 0.295 406 I C -0.106 175.552 176.117 -0.765 0.000 1.078 406 I CA -0.832 60.221 61.300 -0.410 0.000 1.048 406 I CB 1.973 39.820 38.000 -0.255 0.000 1.239 406 I HN 0.522 nan 8.210 nan 0.000 0.421 407 R N 2.057 122.020 120.500 -0.895 0.000 3.076 407 R HA 0.544 4.880 4.340 -0.007 0.000 0.239 407 R C -0.051 175.900 176.300 -0.581 0.000 1.392 407 R CA -0.910 54.268 56.100 -1.537 0.000 1.044 407 R CB 0.753 30.240 30.300 -1.356 0.000 1.389 407 R HN 0.572 nan 8.270 nan 0.000 0.498 408 D N 1.134 121.468 120.400 -0.109 0.000 2.174 408 D HA -0.226 4.410 4.640 -0.007 0.000 0.215 408 D C 1.599 177.899 176.300 0.001 0.000 1.021 408 D CA 2.232 56.297 54.000 0.109 0.000 0.910 408 D CB -0.657 40.285 40.800 0.237 0.000 1.142 408 D HN 0.580 nan 8.370 nan 0.000 0.473 409 S N 0.493 116.194 115.700 0.003 0.000 2.483 409 S HA -0.240 4.226 4.470 -0.007 0.000 0.279 409 S C 1.793 176.351 174.600 -0.069 0.000 1.047 409 S CA 1.925 60.103 58.200 -0.037 0.000 1.008 409 S CB -1.316 61.871 63.200 -0.021 0.000 0.746 409 S HN 0.734 nan 8.310 nan 0.000 0.501 410 G N 0.600 109.339 108.800 -0.102 0.000 2.180 410 G HA2 -0.278 3.678 3.960 -0.007 0.000 0.263 410 G HA3 -0.278 3.678 3.960 -0.007 0.000 0.263 410 G C -0.275 174.565 174.900 -0.100 0.000 0.989 410 G CA 0.287 45.323 45.100 -0.107 0.000 0.692 410 G HN 0.663 nan 8.290 nan 0.000 0.526 411 D N -0.336 120.000 120.400 -0.107 0.000 2.455 411 D HA 0.271 4.907 4.640 -0.007 0.000 0.241 411 D C 0.976 177.210 176.300 -0.110 0.000 1.138 411 D CA 0.224 54.169 54.000 -0.091 0.000 0.877 411 D CB 0.491 41.233 40.800 -0.096 0.000 1.187 411 D HN 0.276 nan 8.370 nan 0.000 0.451 412 R N 2.345 122.812 120.500 -0.055 0.000 2.391 412 R HA 0.230 4.566 4.340 -0.007 0.000 0.310 412 R C -0.418 175.881 176.300 -0.001 0.000 1.174 412 R CA -0.701 55.393 56.100 -0.010 0.000 1.118 412 R CB -0.064 30.284 30.300 0.080 0.000 1.134 412 R HN 0.263 nan 8.270 nan 0.000 0.524 413 I N 2.219 122.757 120.570 -0.053 0.000 2.683 413 I HA -0.088 4.077 4.170 -0.007 0.000 0.286 413 I C 0.521 176.605 176.117 -0.054 0.000 1.175 413 I CA 0.426 61.697 61.300 -0.048 0.000 1.429 413 I CB 0.618 38.576 38.000 -0.069 0.000 1.371 413 I HN 0.445 nan 8.210 nan 0.000 0.569 414 D N 7.120 127.445 120.400 -0.125 0.000 2.540 414 D HA 0.127 4.763 4.640 -0.007 0.000 0.251 414 D C 1.113 177.212 176.300 -0.335 0.000 1.159 414 D CA -0.315 53.488 54.000 -0.327 0.000 0.974 414 D CB 0.147 40.720 40.800 -0.379 0.000 0.996 414 D HN 0.472 nan 8.370 nan 0.000 0.512 415 L N 1.848 122.904 121.223 -0.279 0.000 2.740 415 L HA -0.255 4.081 4.340 -0.007 0.000 0.229 415 L C 2.117 178.851 176.870 -0.227 0.000 1.184 415 L CA 1.138 55.850 54.840 -0.214 0.000 0.806 415 L CB -0.776 41.173 42.059 -0.184 0.000 0.929 415 L HN 0.422 nan 8.230 nan 0.000 0.453 416 R N -1.793 118.507 120.500 -0.334 0.000 2.435 416 R HA 0.121 4.457 4.340 -0.007 0.000 0.221 416 R C 0.725 177.051 176.300 0.044 0.000 0.885 416 R CA -0.267 55.710 56.100 -0.206 0.000 1.018 416 R CB 0.176 30.311 30.300 -0.275 0.000 1.259 416 R HN 0.248 nan 8.270 nan 0.000 0.597 417 Y N 1.113 121.343 120.300 -0.118 0.000 2.780 417 Y HA 0.377 4.923 4.550 -0.007 0.000 0.340 417 Y C 0.249 176.105 175.900 -0.073 0.000 1.216 417 Y CA -0.837 57.216 58.100 -0.078 0.000 1.245 417 Y CB 0.930 39.348 38.460 -0.069 0.000 1.492 417 Y HN 0.142 nan 8.280 nan 0.000 0.660 418 S N 0.527 116.300 115.700 0.122 0.000 2.881 418 S HA -0.166 4.300 4.470 -0.007 0.000 0.852 418 S C 0.455 175.074 174.600 0.030 0.000 0.877 418 S CA 0.170 58.400 58.200 0.050 0.000 1.464 418 S CB -0.497 62.713 63.200 0.015 0.000 1.049 418 S HN 0.857 nan 8.310 nan 0.000 0.322 419 K N 4.116 124.530 120.400 0.024 0.000 2.207 419 K HA -0.173 4.143 4.320 -0.007 0.000 0.208 419 K C 1.203 177.812 176.600 0.014 0.000 1.046 419 K CA 1.785 58.081 56.287 0.015 0.000 0.929 419 K CB -0.210 32.297 32.500 0.012 0.000 0.720 419 K HN 0.620 nan 8.250 nan 0.000 0.463 420 R N 0.318 120.828 120.500 0.016 0.000 3.179 420 R HA 0.231 4.567 4.340 -0.007 0.000 0.317 420 R C 0.169 176.479 176.300 0.017 0.000 1.331 420 R CA 0.250 56.361 56.100 0.018 0.000 1.184 420 R CB 0.892 31.206 30.300 0.023 0.000 1.408 420 R HN 0.372 nan 8.270 nan 0.000 0.598 421 A N -0.873 121.954 122.820 0.011 0.000 2.469 421 A HA 0.243 4.559 4.320 -0.007 0.000 0.245 421 A C 1.319 178.905 177.584 0.004 0.000 1.221 421 A CA 0.054 52.093 52.037 0.003 0.000 0.946 421 A CB 0.767 19.766 19.000 -0.003 0.000 1.049 421 A HN 0.354 nan 8.150 nan 0.000 0.529 422 G N -0.914 107.892 108.800 0.009 0.000 3.453 422 G HA2 0.345 4.301 3.960 -0.007 0.000 0.263 422 G HA3 0.345 4.301 3.960 -0.007 0.000 0.263 422 G C 0.025 174.932 174.900 0.011 0.000 1.060 422 G CA 0.217 45.322 45.100 0.009 0.000 0.793 422 G HN 0.256 nan 8.290 nan 0.000 0.532 423 D N 0.252 120.662 120.400 0.016 0.000 2.482 423 D HA 0.460 5.096 4.640 -0.007 0.000 0.223 423 D C 0.681 176.999 176.300 0.030 0.000 1.262 423 D CA -0.417 53.595 54.000 0.020 0.000 1.125 423 D CB 0.625 41.438 40.800 0.022 0.000 1.196 423 D HN 0.097 nan 8.370 nan 0.000 0.594 424 I N 0.224 120.820 120.570 0.044 0.000 8.032 424 I HA -0.208 3.958 4.170 -0.007 0.000 0.126 424 I C -0.703 175.438 176.117 0.041 0.000 1.845 424 I CA 0.035 61.379 61.300 0.073 0.000 2.048 424 I CB -0.875 37.182 38.000 0.094 0.000 3.748 424 I HN 0.169 nan 8.210 nan 0.000 0.173 425 Q N 6.257 126.063 119.800 0.010 0.000 2.314 425 Q HA 0.554 4.890 4.340 -0.007 0.000 0.259 425 Q C -0.236 175.694 176.000 -0.116 0.000 0.951 425 Q CA -0.873 54.893 55.803 -0.062 0.000 0.909 425 Q CB 2.260 30.947 28.738 -0.085 0.000 1.236 425 Q HN 0.563 nan 8.270 nan 0.000 0.444 426 L N 3.228 124.367 121.223 -0.140 0.000 2.500 426 L HA -0.017 4.319 4.340 -0.007 0.000 0.272 426 L C 0.509 177.057 176.870 -0.535 0.000 1.149 426 L CA 0.109 54.835 54.840 -0.190 0.000 0.897 426 L CB 0.264 42.274 42.059 -0.081 0.000 1.178 426 L HN 0.332 nan 8.230 nan 0.000 0.473 427 Q N 4.681 123.863 119.800 -1.031 0.000 2.503 427 Q HA 0.203 4.539 4.340 -0.007 0.000 0.227 427 Q C -0.963 174.607 176.000 -0.716 0.000 1.109 427 Q CA -0.600 54.506 55.803 -1.162 0.000 0.922 427 Q CB -0.056 27.497 28.738 -1.976 0.000 1.249 427 Q HN 0.255 nan 8.270 nan 0.000 0.530 428 Y N 0.750 120.884 120.300 -0.276 0.000 3.275 428 Y HA -0.127 4.419 4.550 -0.006 0.000 0.363 428 Y C 1.781 177.639 175.900 -0.071 0.000 1.216 428 Y CA 1.855 59.883 58.100 -0.121 0.000 1.554 428 Y CB 0.234 38.629 38.460 -0.108 0.000 1.113 428 Y HN 0.828 nan 8.280 nan 0.000 0.625 429 G N -0.335 108.620 108.800 0.258 0.000 2.179 429 G HA2 -0.221 3.735 3.960 -0.007 0.000 0.220 429 G HA3 -0.221 3.735 3.960 -0.007 0.000 0.220 429 G C -0.557 174.628 174.900 0.475 0.000 0.990 429 G CA -0.301 44.959 45.100 0.267 0.000 0.646 429 G HN 0.564 nan 8.290 nan 0.000 0.517 430 W N 0.289 121.622 121.300 0.055 0.000 3.165 430 W HA 0.782 5.436 4.660 -0.008 0.000 0.351 430 W C 0.189 176.729 176.519 0.034 0.000 1.164 430 W CA -0.934 56.431 57.345 0.033 0.000 1.074 430 W CB 0.909 30.379 29.460 0.017 0.000 1.499 430 W HN 0.200 nan 8.180 nan 0.000 0.600 431 K N -0.368 120.100 120.400 0.114 0.000 2.399 431 K HA 0.848 5.163 4.320 -0.007 0.000 0.260 431 K C -1.596 175.046 176.600 0.069 0.000 1.049 431 K CA -1.087 55.254 56.287 0.090 0.000 0.890 431 K CB 2.049 34.572 32.500 0.038 0.000 1.430 431 K HN 0.002 nan 8.250 nan 0.000 0.459 432 V N 1.938 121.893 119.914 0.068 0.000 2.658 432 V HA 0.101 4.217 4.120 -0.007 0.000 0.259 432 V C -0.754 175.376 176.094 0.061 0.000 0.933 432 V CA -0.897 61.446 62.300 0.072 0.000 0.871 432 V CB 0.756 32.637 31.823 0.097 0.000 1.062 432 V HN 0.706 nan 8.190 nan 0.000 0.479 433 E N 3.786 124.011 120.200 0.041 0.000 2.442 433 E HA 0.304 4.650 4.350 -0.007 0.000 0.262 433 E C -0.035 176.599 176.600 0.058 0.000 1.004 433 E CA -0.148 56.266 56.400 0.024 0.000 0.928 433 E CB 0.973 30.669 29.700 -0.006 0.000 0.937 433 E HN 0.784 nan 8.360 nan 0.000 0.446 434 R N 0.042 120.596 120.500 0.091 0.000 2.799 434 R HA 0.365 4.701 4.340 -0.007 0.000 0.270 434 R C -0.496 175.921 176.300 0.196 0.000 1.010 434 R CA -1.003 55.167 56.100 0.117 0.000 0.916 434 R CB 0.389 30.761 30.300 0.120 0.000 1.228 434 R HN 0.340 nan 8.270 nan 0.000 0.469 435 H N 0.675 119.764 119.070 0.032 0.000 3.181 435 H HA -0.019 4.531 4.556 -0.009 0.000 0.316 435 H C -0.055 175.277 175.328 0.006 0.000 0.995 435 H CA 0.449 56.495 56.048 -0.004 0.000 1.332 435 H CB 0.395 30.101 29.762 -0.095 0.000 1.245 435 H HN 0.413 nan 8.280 nan 0.000 0.592 436 I N 5.451 126.109 120.570 0.147 0.000 2.353 436 I HA 0.128 4.294 4.170 -0.007 0.000 0.293 436 I C 0.418 176.604 176.117 0.115 0.000 0.992 436 I CA -0.229 61.146 61.300 0.126 0.000 1.268 436 I CB 0.594 38.681 38.000 0.145 0.000 1.387 436 I HN 0.437 nan 8.210 nan 0.000 0.478 437 M N 3.802 123.449 119.600 0.078 0.000 2.819 437 M HA 0.453 4.929 4.480 -0.007 0.000 0.300 437 M C -0.692 175.661 176.300 0.088 0.000 1.237 437 M CA -1.027 54.347 55.300 0.122 0.000 0.813 437 M CB 0.713 33.358 32.600 0.075 0.000 1.755 437 M HN 0.249 nan 8.290 nan 0.000 0.484 438 D N 1.456 121.917 120.400 0.100 0.000 2.571 438 D HA 0.042 4.678 4.640 -0.007 0.000 0.231 438 D C -0.020 176.296 176.300 0.027 0.000 1.133 438 D CA 1.447 55.477 54.000 0.050 0.000 0.862 438 D CB 0.022 40.850 40.800 0.047 0.000 1.179 438 D HN 0.758 nan 8.370 nan 0.000 0.474 439 N N 0.307 119.016 118.700 0.015 0.000 2.948 439 N HA -0.158 4.578 4.740 -0.007 0.000 0.239 439 N C -1.129 174.378 175.510 -0.005 0.000 0.954 439 N CA 0.830 53.883 53.050 0.006 0.000 0.941 439 N CB -0.604 37.887 38.487 0.006 0.000 1.101 439 N HN 0.442 nan 8.380 nan 0.000 0.579 440 D N 0.196 120.593 120.400 -0.004 0.000 2.358 440 D HA 0.264 4.900 4.640 -0.007 0.000 0.244 440 D C -2.217 174.083 176.300 -0.000 0.000 1.163 440 D CA -0.827 53.159 54.000 -0.023 0.000 0.945 440 D CB 0.328 41.111 40.800 -0.027 0.000 1.152 440 D HN 0.092 nan 8.370 nan 0.000 0.451 441 P HA 0.169 nan 4.420 nan 0.000 0.293 441 P C -0.659 176.669 177.300 0.046 0.000 1.300 441 P CA -0.375 62.734 63.100 0.015 0.000 0.792 441 P CB 1.141 32.842 31.700 0.001 0.000 0.925 442 V N 1.278 121.235 119.914 0.071 0.000 3.206 442 V HA 0.505 4.621 4.120 -0.007 0.000 0.305 442 V C -0.768 175.413 176.094 0.146 0.000 1.257 442 V CA -1.327 61.037 62.300 0.106 0.000 1.057 442 V CB 2.200 34.091 31.823 0.112 0.000 1.075 442 V HN 0.277 nan 8.190 nan 0.000 0.443 443 L N 2.254 123.585 121.223 0.180 0.000 2.255 443 L HA 0.579 4.915 4.340 -0.007 0.000 0.289 443 L C -1.340 175.720 176.870 0.316 0.000 1.046 443 L CA -0.403 54.557 54.840 0.199 0.000 0.816 443 L CB 0.939 43.091 42.059 0.155 0.000 1.197 443 L HN 0.767 nan 8.230 nan 0.000 0.427 444 F N 6.480 126.510 119.950 0.134 0.000 2.430 444 F HA 0.369 4.891 4.527 -0.007 0.000 0.362 444 F C -0.146 175.676 175.800 0.037 0.000 1.103 444 F CA -0.946 57.075 58.000 0.035 0.000 1.045 444 F CB 0.608 39.663 39.000 0.091 0.000 1.276 444 F HN 0.499 nan 8.300 nan 0.000 0.444 445 N N 4.992 123.577 118.700 -0.192 0.000 2.483 445 N HA 0.529 5.265 4.740 -0.007 0.000 0.285 445 N C -1.374 173.813 175.510 -0.538 0.000 1.210 445 N CA -0.684 52.224 53.050 -0.238 0.000 0.931 445 N CB 2.289 40.782 38.487 0.010 0.000 1.220 445 N HN 0.735 nan 8.380 nan 0.000 0.542 446 R N 0.840 121.179 120.500 -0.268 0.000 2.686 446 R HA 0.304 4.640 4.340 -0.007 0.000 0.286 446 R C -1.347 174.931 176.300 -0.036 0.000 0.969 446 R CA -0.579 55.399 56.100 -0.204 0.000 0.898 446 R CB 1.664 31.842 30.300 -0.204 0.000 1.183 446 R HN 0.612 nan 8.270 nan 0.000 0.456 447 Q N 3.316 123.092 119.800 -0.041 0.000 2.282 447 Q HA 0.468 4.804 4.340 -0.007 0.000 0.260 447 Q C -2.175 173.822 176.000 -0.006 0.000 0.964 447 Q CA -2.007 53.791 55.803 -0.008 0.000 0.880 447 Q CB 2.235 30.970 28.738 -0.004 0.000 1.286 447 Q HN 0.532 nan 8.270 nan 0.000 0.445 448 P HA 0.182 nan 4.420 nan 0.000 0.284 448 P C -1.095 176.214 177.300 0.015 0.000 1.258 448 P CA -0.685 62.418 63.100 0.005 0.000 0.824 448 P CB 1.215 32.914 31.700 -0.001 0.000 1.038 449 S N 1.330 117.037 115.700 0.011 0.000 3.812 449 S HA 0.208 4.674 4.470 -0.007 0.000 0.195 449 S C 0.376 174.968 174.600 -0.012 0.000 1.460 449 S CA -0.614 57.597 58.200 0.017 0.000 1.052 449 S CB -1.184 62.023 63.200 0.012 0.000 1.385 449 S HN 0.260 nan 8.310 nan 0.000 0.490 450 L N 0.822 122.023 121.223 -0.037 0.000 2.719 450 L HA 0.660 4.996 4.340 -0.007 0.000 0.236 450 L C -0.054 176.589 176.870 -0.378 0.000 1.285 450 L CA -0.236 54.514 54.840 -0.150 0.000 1.222 450 L CB -1.623 40.336 42.059 -0.165 0.000 1.493 450 L HN 0.463 nan 8.230 nan 0.000 0.415 451 H N -1.693 117.341 119.070 -0.060 0.000 2.896 451 H HA 0.020 4.572 4.556 -0.007 0.000 0.229 451 H C 0.220 175.503 175.328 -0.074 0.000 1.336 451 H CA -0.211 55.789 56.048 -0.080 0.000 1.322 451 H CB 0.677 30.379 29.762 -0.100 0.000 1.790 451 H HN 0.191 nan 8.280 nan 0.000 0.411 452 K N 0.291 120.775 120.400 0.140 0.000 2.007 452 K HA -0.013 4.303 4.320 -0.007 0.000 0.206 452 K C 1.507 178.100 176.600 -0.012 0.000 1.047 452 K CA 1.700 58.003 56.287 0.025 0.000 0.937 452 K CB -0.038 32.457 32.500 -0.009 0.000 0.718 452 K HN 0.322 nan 8.250 nan 0.000 0.438 453 M N 2.056 121.618 119.600 -0.063 0.000 2.201 453 M HA -0.230 4.246 4.480 -0.007 0.000 0.251 453 M C 1.751 177.861 176.300 -0.318 0.000 1.090 453 M CA 1.738 56.882 55.300 -0.260 0.000 1.063 453 M CB -0.449 31.852 32.600 -0.498 0.000 1.360 453 M HN 0.154 nan 8.290 nan 0.000 0.401 454 S N -0.837 114.830 115.700 -0.054 0.000 2.562 454 S HA 0.183 4.649 4.470 -0.007 0.000 0.221 454 S C 0.709 175.435 174.600 0.209 0.000 0.975 454 S CA 0.408 58.675 58.200 0.111 0.000 0.918 454 S CB -0.058 63.229 63.200 0.144 0.000 0.772 454 S HN 0.364 nan 8.310 nan 0.000 0.531 455 M N 1.104 120.756 119.600 0.087 0.000 2.724 455 M HA 0.626 5.101 4.480 -0.007 0.000 0.310 455 M C -1.269 175.070 176.300 0.065 0.000 1.217 455 M CA -0.269 55.093 55.300 0.102 0.000 0.894 455 M CB 1.953 34.573 32.600 0.034 0.000 1.719 455 M HN 0.102 nan 8.290 nan 0.000 0.479 456 M N 0.622 120.263 119.600 0.067 0.000 2.696 456 M HA 0.198 4.674 4.480 -0.007 0.000 0.206 456 M C -1.421 174.813 176.300 -0.109 0.000 0.718 456 M CA -0.700 54.569 55.300 -0.051 0.000 0.897 456 M CB 0.260 32.772 32.600 -0.147 0.000 1.646 456 M HN 0.697 nan 8.290 nan 0.000 0.618 457 A N 2.888 125.614 122.820 -0.157 0.000 2.409 457 A HA 0.704 5.020 4.320 -0.007 0.000 0.262 457 A C -0.413 176.986 177.584 -0.309 0.000 1.113 457 A CA 0.057 52.016 52.037 -0.129 0.000 0.790 457 A CB 0.127 19.092 19.000 -0.058 0.000 1.046 457 A HN 0.815 nan 8.150 nan 0.000 0.496 458 H N 1.278 120.368 119.070 0.034 0.000 3.117 458 H HA 0.579 5.131 4.556 -0.007 0.000 0.288 458 H C -0.479 174.833 175.328 -0.027 0.000 1.604 458 H CA -0.827 55.211 56.048 -0.016 0.000 1.488 458 H CB 1.141 30.853 29.762 -0.083 0.000 1.813 458 H HN 0.648 nan 8.280 nan 0.000 0.817 459 R N 1.136 121.718 120.500 0.137 0.000 2.502 459 R HA 0.325 4.660 4.340 -0.007 0.000 0.298 459 R C -1.278 175.024 176.300 0.003 0.000 1.018 459 R CA -0.551 55.578 56.100 0.049 0.000 0.899 459 R CB 1.826 32.157 30.300 0.052 0.000 1.181 459 R HN 0.243 nan 8.270 nan 0.000 0.444 460 V N 3.866 123.779 119.914 -0.002 0.000 2.686 460 V HA 0.169 4.285 4.120 -0.007 0.000 0.295 460 V C 0.171 176.255 176.094 -0.017 0.000 1.055 460 V CA 0.077 62.367 62.300 -0.017 0.000 1.050 460 V CB 1.260 33.090 31.823 0.011 0.000 0.984 460 V HN 0.513 nan 8.190 nan 0.000 0.482 461 K N 4.583 124.962 120.400 -0.035 0.000 2.740 461 K HA 0.366 4.682 4.320 -0.007 0.000 0.246 461 K C -0.984 175.589 176.600 -0.045 0.000 1.021 461 K CA -0.519 55.749 56.287 -0.033 0.000 1.021 461 K CB 0.970 33.443 32.500 -0.045 0.000 1.233 461 K HN 0.405 nan 8.250 nan 0.000 0.497 462 V N 3.759 123.640 119.914 -0.056 0.000 2.999 462 V HA 0.435 4.551 4.120 -0.007 0.000 0.307 462 V C 0.701 176.728 176.094 -0.112 0.000 1.084 462 V CA -0.302 61.925 62.300 -0.122 0.000 1.155 462 V CB -0.328 31.323 31.823 -0.287 0.000 0.975 462 V HN 0.645 nan 8.190 nan 0.000 0.490 463 I N -0.066 120.443 120.570 -0.100 0.000 3.021 463 I HA 0.674 4.840 4.170 -0.007 0.000 0.305 463 I C -2.919 173.190 176.117 -0.013 0.000 1.434 463 I CA -2.125 59.146 61.300 -0.049 0.000 0.969 463 I CB 1.816 39.795 38.000 -0.034 0.000 1.328 463 I HN 0.480 nan 8.210 nan 0.000 0.486 464 P HA 0.299 nan 4.420 nan 0.000 0.275 464 P C -1.126 176.386 177.300 0.354 0.000 1.266 464 P CA 0.356 63.549 63.100 0.155 0.000 0.793 464 P CB 0.461 32.373 31.700 0.352 0.000 1.074 465 Y N -2.538 117.715 120.300 -0.077 0.000 2.507 465 Y HA -0.198 4.349 4.550 -0.005 0.000 0.021 465 Y C 0.447 176.292 175.900 -0.092 0.000 1.703 465 Y CA 0.841 58.896 58.100 -0.076 0.000 1.418 465 Y CB -1.775 36.641 38.460 -0.074 0.000 2.064 465 Y HN 0.437 nan 8.280 nan 0.000 0.254 466 S N -0.359 115.386 115.700 0.076 0.000 2.078 466 S HA 0.630 5.096 4.470 -0.007 0.000 0.168 466 S C -0.625 173.916 174.600 -0.100 0.000 1.542 466 S CA -0.041 58.134 58.200 -0.042 0.000 1.223 466 S CB 0.573 63.727 63.200 -0.076 0.000 1.152 466 S HN 0.925 nan 8.310 nan 0.000 0.452 467 T N -1.363 113.132 114.554 -0.097 0.000 2.952 467 T HA 0.599 4.945 4.350 -0.007 0.000 0.305 467 T C -0.436 174.227 174.700 -0.060 0.000 1.064 467 T CA -0.755 61.291 62.100 -0.090 0.000 1.008 467 T CB 0.396 69.245 68.868 -0.030 0.000 1.078 467 T HN 0.290 nan 8.240 nan 0.000 0.459 468 F N 2.117 122.079 119.950 0.020 0.000 2.608 468 F HA 0.215 4.738 4.527 -0.006 0.000 0.380 468 F C 1.636 177.383 175.800 -0.089 0.000 1.083 468 F CA -0.297 57.691 58.000 -0.020 0.000 1.266 468 F CB 0.589 39.678 39.000 0.148 0.000 1.076 468 F HN 0.263 nan 8.300 nan 0.000 0.574 469 R N 4.506 125.034 120.500 0.047 0.000 2.514 469 R HA 0.680 5.016 4.340 -0.007 0.000 0.301 469 R C -1.043 175.168 176.300 -0.147 0.000 0.962 469 R CA -0.977 55.084 56.100 -0.066 0.000 0.882 469 R CB 1.757 31.994 30.300 -0.105 0.000 1.143 469 R HN 0.487 nan 8.270 nan 0.000 0.452 470 L N -0.805 120.363 121.223 -0.091 0.000 2.301 470 L HA 0.558 4.894 4.340 -0.007 0.000 0.249 470 L C -0.416 176.447 176.870 -0.012 0.000 1.069 470 L CA -1.095 53.697 54.840 -0.080 0.000 0.865 470 L CB 0.686 42.690 42.059 -0.092 0.000 1.467 470 L HN 0.336 nan 8.230 nan 0.000 0.419 471 N N 0.357 119.060 118.700 0.006 0.000 2.458 471 N HA 0.259 4.995 4.740 -0.007 0.000 0.270 471 N C 0.842 176.392 175.510 0.067 0.000 1.102 471 N CA -0.087 52.971 53.050 0.014 0.000 0.967 471 N CB 1.144 39.625 38.487 -0.011 0.000 1.078 471 N HN 0.819 nan 8.380 nan 0.000 0.471 472 L N 2.227 123.498 121.223 0.080 0.000 2.081 472 L HA -0.178 4.158 4.340 -0.007 0.000 0.212 472 L C 1.911 178.803 176.870 0.038 0.000 1.080 472 L CA 1.060 55.974 54.840 0.124 0.000 0.754 472 L CB -0.343 41.774 42.059 0.096 0.000 0.893 472 L HN 0.467 nan 8.230 nan 0.000 0.433 473 S N -1.251 114.414 115.700 -0.057 0.000 2.650 473 S HA 0.016 4.481 4.470 -0.007 0.000 0.219 473 S C 1.342 175.782 174.600 -0.266 0.000 0.960 473 S CA 0.183 58.268 58.200 -0.192 0.000 0.925 473 S CB 0.303 63.357 63.200 -0.244 0.000 0.775 473 S HN 0.243 nan 8.310 nan 0.000 0.525 474 V N 0.556 120.410 119.914 -0.100 0.000 3.578 474 V HA 0.046 4.162 4.120 -0.007 0.000 0.290 474 V C 1.784 177.944 176.094 0.111 0.000 1.376 474 V CA 0.662 62.959 62.300 -0.003 0.000 1.083 474 V CB -0.273 31.631 31.823 0.134 0.000 0.911 474 V HN 0.384 nan 8.190 nan 0.000 0.433 475 T N 0.993 115.583 114.554 0.060 0.000 2.529 475 T HA -0.213 4.133 4.350 -0.007 0.000 0.261 475 T C 1.959 176.660 174.700 0.003 0.000 1.110 475 T CA 2.541 64.672 62.100 0.052 0.000 1.192 475 T CB -0.266 68.581 68.868 -0.034 0.000 0.864 475 T HN 0.724 nan 8.240 nan 0.000 0.407 476 S N 2.896 118.558 115.700 -0.064 0.000 2.521 476 S HA -0.164 4.301 4.470 -0.007 0.000 0.246 476 S C -0.378 174.136 174.600 -0.144 0.000 1.059 476 S CA 1.852 59.998 58.200 -0.090 0.000 1.302 476 S CB -2.136 61.005 63.200 -0.098 0.000 1.216 476 S HN 0.499 nan 8.310 nan 0.000 0.421 477 P HA -0.228 nan 4.420 nan 0.000 0.223 477 P C 0.873 177.971 177.300 -0.336 0.000 1.153 477 P CA 1.871 64.729 63.100 -0.403 0.000 0.853 477 P CB -0.320 31.034 31.700 -0.577 0.000 0.777 478 Y N -1.736 118.518 120.300 -0.075 0.000 2.397 478 Y HA 0.077 4.623 4.550 -0.006 0.000 0.292 478 Y C 1.214 177.082 175.900 -0.053 0.000 1.115 478 Y CA 0.429 58.495 58.100 -0.057 0.000 1.208 478 Y CB 0.008 38.438 38.460 -0.049 0.000 1.046 478 Y HN -0.054 nan 8.280 nan 0.000 0.552 479 N N 0.014 118.775 118.700 0.102 0.000 2.929 479 N HA -0.137 4.599 4.740 -0.007 0.000 0.249 479 N C -0.995 174.504 175.510 -0.017 0.000 1.095 479 N CA 0.506 53.563 53.050 0.011 0.000 0.670 479 N CB -1.174 37.321 38.487 0.013 0.000 0.968 479 N HN 0.323 nan 8.380 nan 0.000 0.564 480 A N 0.750 123.543 122.820 -0.044 0.000 2.279 480 A HA 0.659 4.975 4.320 -0.007 0.000 0.303 480 A C 0.392 177.800 177.584 -0.294 0.000 1.108 480 A CA 0.235 52.187 52.037 -0.143 0.000 0.830 480 A CB 0.745 19.641 19.000 -0.174 0.000 1.106 480 A HN 0.620 nan 8.150 nan 0.000 0.493 481 D N -1.651 118.571 120.400 -0.297 0.000 2.712 481 D HA 0.575 5.211 4.640 -0.007 0.000 0.252 481 D C -0.829 175.157 176.300 -0.524 0.000 1.123 481 D CA -0.465 53.243 54.000 -0.487 0.000 1.109 481 D CB 0.439 41.073 40.800 -0.277 0.000 1.313 481 D HN 0.282 nan 8.370 nan 0.000 0.629 482 F N -0.416 119.542 119.950 0.013 0.000 2.679 482 F HA 0.250 4.773 4.527 -0.007 0.000 0.354 482 F C -0.294 175.509 175.800 0.005 0.000 1.423 482 F CA -0.838 57.170 58.000 0.012 0.000 1.141 482 F CB 0.644 39.650 39.000 0.011 0.000 1.168 482 F HN 0.157 nan 8.300 nan 0.000 0.530 483 D N -0.464 120.007 120.400 0.118 0.000 2.755 483 D HA 0.404 5.040 4.640 -0.007 0.000 0.257 483 D C 1.341 177.686 176.300 0.074 0.000 1.291 483 D CA -0.219 53.833 54.000 0.087 0.000 0.836 483 D CB 0.680 41.503 40.800 0.038 0.000 1.059 483 D HN 0.459 nan 8.370 nan 0.000 0.486 484 G N -0.066 108.794 108.800 0.099 0.000 2.977 484 G HA2 -0.185 3.771 3.960 -0.007 0.000 0.211 484 G HA3 -0.185 3.771 3.960 -0.007 0.000 0.211 484 G C -0.239 174.698 174.900 0.062 0.000 0.994 484 G CA -0.670 44.469 45.100 0.066 0.000 0.795 484 G HN 0.277 nan 8.290 nan 0.000 0.518 485 D N 1.147 121.586 120.400 0.065 0.000 2.419 485 D HA 0.487 5.123 4.640 -0.007 0.000 0.236 485 D C 0.486 176.820 176.300 0.057 0.000 1.165 485 D CA 0.729 54.750 54.000 0.035 0.000 0.882 485 D CB 0.920 41.722 40.800 0.002 0.000 1.201 485 D HN 0.447 nan 8.370 nan 0.000 0.443 486 E N 0.390 120.610 120.200 0.034 0.000 2.339 486 E HA 0.633 4.979 4.350 -0.007 0.000 0.262 486 E C -0.967 175.652 176.600 0.031 0.000 0.934 486 E CA -0.803 55.635 56.400 0.063 0.000 0.802 486 E CB 1.516 31.243 29.700 0.046 0.000 1.275 486 E HN 0.303 nan 8.360 nan 0.000 0.427 487 M N 1.646 121.294 119.600 0.081 0.000 2.470 487 M HA 0.377 4.853 4.480 -0.007 0.000 0.285 487 M C -1.336 174.916 176.300 -0.079 0.000 1.213 487 M CA -0.904 54.314 55.300 -0.136 0.000 0.901 487 M CB 2.103 34.416 32.600 -0.479 0.000 1.718 487 M HN 0.427 nan 8.290 nan 0.000 0.469 488 N N 1.852 120.437 118.700 -0.192 0.000 2.477 488 N HA 0.770 5.506 4.740 -0.007 0.000 0.284 488 N C -1.390 174.080 175.510 -0.066 0.000 1.182 488 N CA -0.512 52.515 53.050 -0.037 0.000 0.949 488 N CB 2.104 40.568 38.487 -0.038 0.000 1.204 488 N HN 0.632 nan 8.380 nan 0.000 0.526 489 L N -0.190 121.041 121.223 0.013 0.000 2.371 489 L HA 0.539 4.875 4.340 -0.007 0.000 0.262 489 L C -1.224 175.576 176.870 -0.118 0.000 1.006 489 L CA -0.553 54.338 54.840 0.085 0.000 0.818 489 L CB 1.944 44.088 42.059 0.141 0.000 1.354 489 L HN 0.515 nan 8.230 nan 0.000 0.415 490 H N 2.296 121.451 119.070 0.142 0.000 2.980 490 H HA 0.691 5.244 4.556 -0.006 0.000 0.367 490 H C -1.521 173.878 175.328 0.118 0.000 1.206 490 H CA -0.720 55.407 56.048 0.133 0.000 1.126 490 H CB 2.517 32.343 29.762 0.106 0.000 1.838 490 H HN 0.432 nan 8.280 nan 0.000 0.552 491 V N 2.399 122.459 119.914 0.242 0.000 2.577 491 V HA 0.180 4.296 4.120 -0.007 0.000 0.294 491 V C -2.393 173.739 176.094 0.064 0.000 1.052 491 V CA -1.518 60.857 62.300 0.126 0.000 0.891 491 V CB 1.924 33.777 31.823 0.050 0.000 1.017 491 V HN 0.600 nan 8.190 nan 0.000 0.436 492 P HA 0.087 nan 4.420 nan 0.000 0.266 492 P C -0.663 176.684 177.300 0.078 0.000 1.195 492 P CA 0.311 63.467 63.100 0.094 0.000 0.768 492 P CB 1.598 33.368 31.700 0.118 0.000 0.838 493 Q N 0.454 120.264 119.800 0.017 0.000 2.280 493 Q HA 0.186 4.522 4.340 -0.007 0.000 0.228 493 Q C 0.293 176.244 176.000 -0.081 0.000 0.857 493 Q CA 0.557 56.271 55.803 -0.149 0.000 0.939 493 Q CB 0.300 28.946 28.738 -0.153 0.000 1.114 493 Q HN 0.465 nan 8.270 nan 0.000 0.514 494 S N 0.062 115.827 115.700 0.107 0.000 2.568 494 S HA 0.294 4.760 4.470 -0.007 0.000 0.302 494 S C 0.772 175.497 174.600 0.209 0.000 1.082 494 S CA -0.685 57.586 58.200 0.119 0.000 1.009 494 S CB 1.989 65.230 63.200 0.067 0.000 1.069 494 S HN -0.094 nan 8.310 nan 0.000 0.500 495 E N 1.710 122.026 120.200 0.194 0.000 2.204 495 E HA -0.158 4.188 4.350 -0.007 0.000 0.195 495 E C 1.507 178.169 176.600 0.103 0.000 0.990 495 E CA 1.292 57.793 56.400 0.168 0.000 0.821 495 E CB -0.052 29.731 29.700 0.138 0.000 0.750 495 E HN 0.807 nan 8.360 nan 0.000 0.477 496 E N -0.660 119.594 120.200 0.090 0.000 2.005 496 E HA -0.096 4.250 4.350 -0.007 0.000 0.191 496 E C 2.101 178.738 176.600 0.063 0.000 0.987 496 E CA 1.344 57.785 56.400 0.068 0.000 0.814 496 E CB -0.728 29.008 29.700 0.061 0.000 0.772 496 E HN 0.003 nan 8.360 nan 0.000 0.453 497 T N 1.836 116.429 114.554 0.066 0.000 2.693 497 T HA -0.276 4.070 4.350 -0.007 0.000 0.263 497 T C 1.828 176.565 174.700 0.062 0.000 1.046 497 T CA 2.449 64.586 62.100 0.062 0.000 1.160 497 T CB -0.457 68.458 68.868 0.078 0.000 0.853 497 T HN 0.267 nan 8.240 nan 0.000 0.462 498 R N 1.363 121.911 120.500 0.080 0.000 2.092 498 R HA 0.123 4.459 4.340 -0.007 0.000 0.231 498 R C 2.840 179.159 176.300 0.032 0.000 1.119 498 R CA 1.274 57.405 56.100 0.053 0.000 0.970 498 R CB -0.635 29.677 30.300 0.020 0.000 0.864 498 R HN 0.434 nan 8.270 nan 0.000 0.440 499 A N 1.913 124.756 122.820 0.038 0.000 1.877 499 A HA -0.229 4.087 4.320 -0.007 0.000 0.216 499 A C 2.062 179.663 177.584 0.029 0.000 1.186 499 A CA 1.592 53.648 52.037 0.031 0.000 0.620 499 A CB -0.471 18.553 19.000 0.040 0.000 0.822 499 A HN 0.352 nan 8.150 nan 0.000 0.443 500 E N -0.448 119.772 120.200 0.033 0.000 2.187 500 E HA -0.180 4.166 4.350 -0.007 0.000 0.199 500 E C 1.784 178.392 176.600 0.013 0.000 1.004 500 E CA 1.302 57.717 56.400 0.025 0.000 0.813 500 E CB -0.134 29.578 29.700 0.020 0.000 0.736 500 E HN 0.579 nan 8.360 nan 0.000 0.468 501 L N -0.302 120.930 121.223 0.015 0.000 2.307 501 L HA 0.000 4.336 4.340 -0.007 0.000 0.211 501 L C 1.861 178.728 176.870 -0.005 0.000 1.099 501 L CA 0.974 55.817 54.840 0.005 0.000 0.816 501 L CB -0.193 41.875 42.059 0.015 0.000 0.952 501 L HN 0.150 nan 8.230 nan 0.000 0.455 502 S N -1.586 114.114 115.700 0.001 0.000 2.575 502 S HA 0.031 4.497 4.470 -0.007 0.000 0.215 502 S C 1.585 176.182 174.600 -0.005 0.000 0.966 502 S CA 0.021 58.218 58.200 -0.005 0.000 0.911 502 S CB 0.519 63.718 63.200 -0.002 0.000 0.780 502 S HN 0.271 nan 8.310 nan 0.000 0.514 503 Q N 0.263 120.063 119.800 0.000 0.000 2.532 503 Q HA 0.465 4.801 4.340 -0.007 0.000 0.247 503 Q C 1.548 177.550 176.000 0.004 0.000 0.872 503 Q CA 0.471 56.279 55.803 0.008 0.000 0.963 503 Q CB -0.227 28.523 28.738 0.021 0.000 1.159 503 Q HN 0.394 nan 8.270 nan 0.000 0.598 504 L N -1.390 119.832 121.223 -0.002 0.000 2.362 504 L HA 0.109 4.445 4.340 -0.007 0.000 0.204 504 L C 1.444 178.294 176.870 -0.034 0.000 1.060 504 L CA 0.860 55.692 54.840 -0.013 0.000 0.827 504 L CB 0.113 42.168 42.059 -0.006 0.000 1.027 504 L HN 0.139 nan 8.230 nan 0.000 0.474 505 C N -0.222 119.057 119.300 -0.035 0.000 2.855 505 C HA 0.631 5.087 4.460 -0.007 0.000 0.279 505 C C 1.169 176.113 174.990 -0.077 0.000 1.270 505 C CA -0.739 58.248 59.018 -0.052 0.000 1.702 505 C CB -1.231 26.486 27.740 -0.038 0.000 1.949 505 C HN 0.347 nan 8.230 nan 0.000 0.618 506 A N 0.040 122.816 122.820 -0.072 0.000 2.269 506 A HA 0.532 4.848 4.320 -0.007 0.000 0.319 506 A C 1.240 178.756 177.584 -0.114 0.000 1.110 506 A CA -0.125 51.853 52.037 -0.098 0.000 0.847 506 A CB 0.424 19.382 19.000 -0.071 0.000 1.161 506 A HN 0.089 nan 8.150 nan 0.000 0.497 507 V N 1.302 121.124 119.914 -0.154 0.000 2.453 507 V HA -0.152 3.964 4.120 -0.007 0.000 0.252 507 V C -0.708 175.346 176.094 -0.066 0.000 1.068 507 V CA 2.752 64.976 62.300 -0.126 0.000 1.070 507 V CB -1.450 30.293 31.823 -0.133 0.000 0.664 507 V HN 0.840 nan 8.190 nan 0.000 0.461 508 P HA -0.075 nan 4.420 nan 0.000 0.218 508 P C 1.783 179.068 177.300 -0.024 0.000 1.152 508 P CA 1.167 64.267 63.100 0.000 0.000 0.826 508 P CB -0.110 31.602 31.700 0.021 0.000 0.790 509 L N -0.883 120.316 121.223 -0.041 0.000 2.353 509 L HA -0.128 4.208 4.340 -0.007 0.000 0.220 509 L C 1.933 178.753 176.870 -0.083 0.000 1.133 509 L CA 1.117 55.924 54.840 -0.056 0.000 0.798 509 L CB -0.982 41.040 42.059 -0.062 0.000 0.922 509 L HN 0.042 nan 8.230 nan 0.000 0.445 510 Q N -0.336 119.407 119.800 -0.095 0.000 2.319 510 Q HA 0.173 4.509 4.340 -0.007 0.000 0.202 510 Q C 2.095 178.022 176.000 -0.122 0.000 0.896 510 Q CA 0.241 55.971 55.803 -0.122 0.000 0.942 510 Q CB 0.558 29.204 28.738 -0.153 0.000 1.083 510 Q HN 0.577 nan 8.270 nan 0.000 0.510 511 I N -0.390 120.129 120.570 -0.086 0.000 2.163 511 I HA -0.163 4.003 4.170 -0.007 0.000 0.243 511 I C 1.041 177.098 176.117 -0.100 0.000 1.085 511 I CA 0.930 62.195 61.300 -0.059 0.000 1.347 511 I CB 0.119 38.132 38.000 0.021 0.000 1.044 511 I HN -0.126 nan 8.210 nan 0.000 0.408 512 V N 1.979 121.813 119.914 -0.133 0.000 2.320 512 V HA 0.137 4.252 4.120 -0.007 0.000 0.265 512 V C 0.257 176.247 176.094 -0.173 0.000 1.048 512 V CA -0.255 61.924 62.300 -0.202 0.000 0.865 512 V CB 0.842 32.495 31.823 -0.284 0.000 1.043 512 V HN 0.303 nan 8.190 nan 0.000 0.474 513 S N 8.967 124.576 115.700 -0.152 0.000 2.489 513 S HA 0.396 4.862 4.470 -0.007 0.000 0.277 513 S C -0.826 173.727 174.600 -0.080 0.000 1.230 513 S CA -1.119 57.009 58.200 -0.120 0.000 1.053 513 S CB 1.475 64.605 63.200 -0.117 0.000 0.955 513 S HN 0.689 nan 8.310 nan 0.000 0.488 514 P HA -0.158 nan 4.420 nan 0.000 0.236 514 P C 0.968 178.360 177.300 0.152 0.000 1.172 514 P CA 0.700 63.812 63.100 0.021 0.000 0.759 514 P CB 0.104 31.836 31.700 0.053 0.000 0.843 515 Q N 1.067 120.908 119.800 0.067 0.000 2.096 515 Q HA -0.034 4.302 4.340 -0.007 0.000 0.197 515 Q C 1.036 177.027 176.000 -0.014 0.000 0.964 515 Q CA 1.590 57.431 55.803 0.063 0.000 0.838 515 Q CB -0.285 28.430 28.738 -0.039 0.000 0.906 515 Q HN 0.119 nan 8.270 nan 0.000 0.444 516 S N 1.325 116.952 115.700 -0.123 0.000 2.741 516 S HA 0.127 4.593 4.470 -0.007 0.000 0.247 516 S C -0.261 174.120 174.600 -0.365 0.000 1.050 516 S CA -0.044 57.948 58.200 -0.346 0.000 1.025 516 S CB 0.053 63.080 63.200 -0.289 0.000 0.897 516 S HN 0.692 nan 8.310 nan 0.000 0.508 517 N N 2.127 120.733 118.700 -0.157 0.000 2.666 517 N HA -0.317 4.419 4.740 -0.007 0.000 0.248 517 N C -0.248 175.315 175.510 0.089 0.000 1.118 517 N CA 1.914 54.941 53.050 -0.037 0.000 0.722 517 N CB -1.812 36.680 38.487 0.009 0.000 1.050 517 N HN 0.828 nan 8.380 nan 0.000 0.550 518 K N -2.113 118.301 120.400 0.023 0.000 2.261 518 K HA 0.670 4.986 4.320 -0.007 0.000 0.242 518 K C -3.190 173.345 176.600 -0.109 0.000 1.083 518 K CA -1.929 54.429 56.287 0.120 0.000 0.880 518 K CB 2.443 35.023 32.500 0.134 0.000 1.353 518 K HN -0.044 nan 8.250 nan 0.000 0.486 519 P HA 0.163 nan 4.420 nan 0.000 0.281 519 P C 0.179 177.438 177.300 -0.068 0.000 1.264 519 P CA -0.545 62.473 63.100 -0.137 0.000 0.824 519 P CB 1.087 32.734 31.700 -0.089 0.000 1.092 520 C N 0.227 119.481 119.300 -0.076 0.000 3.098 520 C HA 0.615 5.071 4.460 -0.007 0.000 0.265 520 C C -0.085 174.843 174.990 -0.103 0.000 1.572 520 C CA -0.538 58.423 59.018 -0.096 0.000 1.788 520 C CB -1.325 26.318 27.740 -0.162 0.000 2.982 520 C HN 0.364 nan 8.230 nan 0.000 0.532 521 M N 0.468 120.040 119.600 -0.046 0.000 2.413 521 M HA 0.534 5.010 4.480 -0.007 0.000 0.287 521 M C 0.195 176.551 176.300 0.094 0.000 1.186 521 M CA 0.275 55.521 55.300 -0.089 0.000 0.927 521 M CB 1.953 34.423 32.600 -0.217 0.000 1.715 521 M HN 0.287 nan 8.290 nan 0.000 0.478 522 G N 2.075 110.951 108.800 0.128 0.000 2.691 522 G HA2 0.734 4.689 3.960 -0.007 0.000 0.169 522 G HA3 0.734 4.689 3.960 -0.007 0.000 0.169 522 G C -0.995 174.122 174.900 0.363 0.000 1.638 522 G CA -0.025 45.282 45.100 0.346 0.000 0.822 522 G HN 0.496 nan 8.290 nan 0.000 0.768 523 I N 0.333 121.006 120.570 0.171 0.000 2.735 523 I HA 0.454 4.620 4.170 -0.007 0.000 0.287 523 I C -1.033 175.129 176.117 0.075 0.000 1.452 523 I CA -0.502 60.881 61.300 0.139 0.000 1.061 523 I CB 2.402 40.488 38.000 0.144 0.000 1.383 523 I HN 0.297 nan 8.210 nan 0.000 0.425 524 V N 4.558 124.508 119.914 0.060 0.000 3.078 524 V HA 0.645 4.761 4.120 -0.007 0.000 0.311 524 V C 0.223 176.348 176.094 0.051 0.000 1.138 524 V CA -0.652 61.676 62.300 0.046 0.000 1.007 524 V CB 1.462 33.304 31.823 0.032 0.000 1.045 524 V HN 0.944 nan 8.190 nan 0.000 0.432 525 Q N 0.120 119.951 119.800 0.052 0.000 2.095 525 Q HA -0.367 3.969 4.340 -0.007 0.000 0.396 525 Q C 0.903 176.950 176.000 0.079 0.000 0.650 525 Q CA 2.066 57.910 55.803 0.068 0.000 0.949 525 Q CB -1.464 27.318 28.738 0.073 0.000 2.635 525 Q HN 0.809 nan 8.270 nan 0.000 0.845 526 D N 0.643 121.094 120.400 0.085 0.000 2.104 526 D HA -0.069 4.567 4.640 -0.007 0.000 0.194 526 D C 2.004 178.340 176.300 0.061 0.000 0.994 526 D CA 2.062 56.120 54.000 0.096 0.000 0.830 526 D CB -0.625 40.227 40.800 0.086 0.000 0.959 526 D HN 0.507 nan 8.370 nan 0.000 0.452 527 T N 0.652 115.236 114.554 0.051 0.000 2.822 527 T HA -0.156 4.190 4.350 -0.007 0.000 0.270 527 T C 1.674 176.389 174.700 0.025 0.000 1.064 527 T CA 0.987 63.108 62.100 0.036 0.000 1.131 527 T CB -0.109 68.783 68.868 0.039 0.000 0.858 527 T HN 0.110 nan 8.240 nan 0.000 0.483 528 L N -0.263 120.977 121.223 0.029 0.000 2.515 528 L HA 0.397 4.732 4.340 -0.007 0.000 0.223 528 L C 2.147 179.009 176.870 -0.013 0.000 1.079 528 L CA 0.588 55.434 54.840 0.010 0.000 0.857 528 L CB -0.909 41.165 42.059 0.026 0.000 1.050 528 L HN 0.271 nan 8.230 nan 0.000 0.476 529 C N 0.508 119.805 119.300 -0.006 0.000 2.466 529 C HA 0.214 4.670 4.460 -0.007 0.000 0.283 529 C C 2.250 177.161 174.990 -0.133 0.000 1.472 529 C CA 0.580 59.549 59.018 -0.080 0.000 1.765 529 C CB -1.980 25.718 27.740 -0.070 0.000 1.724 529 C HN 0.696 nan 8.230 nan 0.000 0.560 530 G N 0.073 108.844 108.800 -0.048 0.000 3.126 530 G HA2 0.104 4.060 3.960 -0.007 0.000 0.224 530 G HA3 0.104 4.060 3.960 -0.007 0.000 0.224 530 G C 1.190 176.026 174.900 -0.106 0.000 1.142 530 G CA 0.437 45.505 45.100 -0.053 0.000 0.759 530 G HN 0.651 nan 8.290 nan 0.000 0.550 531 I N -0.130 120.398 120.570 -0.071 0.000 3.018 531 I HA -0.069 4.096 4.170 -0.007 0.000 0.277 531 I C 1.903 177.950 176.117 -0.117 0.000 1.293 531 I CA 1.447 62.703 61.300 -0.074 0.000 1.427 531 I CB 0.183 38.160 38.000 -0.038 0.000 1.091 531 I HN 0.247 nan 8.210 nan 0.000 0.500 532 R N -0.199 120.221 120.500 -0.134 0.000 2.591 532 R HA 0.120 4.456 4.340 -0.007 0.000 0.288 532 R C 1.366 177.547 176.300 -0.198 0.000 0.947 532 R CA -0.138 55.864 56.100 -0.163 0.000 1.085 532 R CB -0.020 30.214 30.300 -0.110 0.000 1.618 532 R HN 0.205 nan 8.270 nan 0.000 0.524 533 K N 1.060 121.345 120.400 -0.192 0.000 2.439 533 K HA -0.071 4.245 4.320 -0.007 0.000 0.197 533 K C 1.740 178.154 176.600 -0.310 0.000 1.041 533 K CA 0.639 56.828 56.287 -0.164 0.000 0.970 533 K CB -0.028 32.468 32.500 -0.006 0.000 0.773 533 K HN 0.169 nan 8.250 nan 0.000 0.479 534 L N 1.799 122.668 121.223 -0.589 0.000 2.046 534 L HA -0.126 4.210 4.340 -0.007 0.000 0.208 534 L C 2.195 178.748 176.870 -0.528 0.000 1.077 534 L CA 1.820 56.076 54.840 -0.973 0.000 0.747 534 L CB -0.734 40.745 42.059 -0.967 0.000 0.896 534 L HN 0.017 nan 8.230 nan 0.000 0.432 535 T N 0.669 115.006 114.554 -0.363 0.000 2.821 535 T HA 0.005 4.351 4.350 -0.007 0.000 0.267 535 T C 0.849 175.426 174.700 -0.204 0.000 1.046 535 T CA 0.485 62.436 62.100 -0.249 0.000 1.139 535 T CB -0.528 68.228 68.868 -0.187 0.000 0.871 535 T HN 0.289 nan 8.240 nan 0.000 0.454 536 L N 2.801 123.917 121.223 -0.179 0.000 2.822 536 L HA -0.119 4.217 4.340 -0.007 0.000 0.288 536 L C 1.566 178.312 176.870 -0.208 0.000 1.182 536 L CA -0.158 54.588 54.840 -0.157 0.000 0.936 536 L CB -0.191 41.790 42.059 -0.129 0.000 1.269 536 L HN 0.249 nan 8.230 nan 0.000 0.476 537 R N 2.204 122.600 120.500 -0.172 0.000 2.363 537 R HA -0.340 3.996 4.340 -0.007 0.000 0.189 537 R C 1.143 177.131 176.300 -0.520 0.000 1.046 537 R CA 2.520 58.478 56.100 -0.236 0.000 0.394 537 R CB -0.920 29.303 30.300 -0.128 0.000 0.716 537 R HN 0.767 nan 8.270 nan 0.000 0.256 538 D N 0.257 120.450 120.400 -0.345 0.000 2.448 538 D HA -0.102 4.534 4.640 -0.007 0.000 0.213 538 D C -0.330 175.637 176.300 -0.554 0.000 0.980 538 D CA 1.141 54.923 54.000 -0.364 0.000 1.028 538 D CB -0.170 40.541 40.800 -0.148 0.000 0.836 538 D HN 0.155 nan 8.370 nan 0.000 0.488 539 T N -0.029 114.037 114.554 -0.813 0.000 2.864 539 T HA 0.375 4.721 4.350 -0.007 0.000 0.310 539 T C -0.464 173.920 174.700 -0.527 0.000 1.040 539 T CA -0.563 61.268 62.100 -0.448 0.000 0.977 539 T CB 0.240 68.977 68.868 -0.220 0.000 0.976 539 T HN -0.145 nan 8.240 nan 0.000 0.459 540 F N 3.426 123.449 119.950 0.122 0.000 2.425 540 F HA 0.722 5.245 4.527 -0.007 0.000 0.331 540 F C 0.326 176.242 175.800 0.194 0.000 1.085 540 F CA -1.202 56.887 58.000 0.148 0.000 1.028 540 F CB 1.354 40.429 39.000 0.125 0.000 1.177 540 F HN 0.266 nan 8.300 nan 0.000 0.487 541 I N 1.717 122.557 120.570 0.450 0.000 2.548 541 I HA 0.207 4.373 4.170 -0.007 0.000 0.287 541 I C -0.716 175.573 176.117 0.286 0.000 1.103 541 I CA -0.544 60.943 61.300 0.312 0.000 1.049 541 I CB 2.103 40.258 38.000 0.259 0.000 1.232 541 I HN 0.696 nan 8.210 nan 0.000 0.429 542 E N 5.274 125.590 120.200 0.193 0.000 2.446 542 E HA 0.358 4.703 4.350 -0.007 0.000 0.251 542 E C 0.879 177.481 176.600 0.003 0.000 1.087 542 E CA -0.815 55.693 56.400 0.180 0.000 0.937 542 E CB 1.236 31.058 29.700 0.203 0.000 1.254 542 E HN 0.442 nan 8.360 nan 0.000 0.479 543 L N 1.082 122.366 121.223 0.101 0.000 1.991 543 L HA -0.307 4.029 4.340 -0.007 0.000 0.221 543 L C 1.865 178.641 176.870 -0.156 0.000 1.079 543 L CA 3.053 57.847 54.840 -0.077 0.000 0.778 543 L CB -0.859 41.324 42.059 0.206 0.000 0.893 543 L HN 0.876 nan 8.230 nan 0.000 0.437 544 D N -1.195 119.177 120.400 -0.047 0.000 2.095 544 D HA -0.289 4.347 4.640 -0.007 0.000 0.192 544 D C 1.867 178.122 176.300 -0.075 0.000 0.990 544 D CA 1.988 55.959 54.000 -0.048 0.000 0.836 544 D CB -1.026 39.768 40.800 -0.011 0.000 0.979 544 D HN 0.628 nan 8.370 nan 0.000 0.447 545 Q N 0.128 119.900 119.800 -0.046 0.000 2.084 545 Q HA -0.222 4.114 4.340 -0.007 0.000 0.215 545 Q C 2.632 178.544 176.000 -0.148 0.000 1.020 545 Q CA 2.433 58.215 55.803 -0.035 0.000 0.887 545 Q CB -0.727 28.030 28.738 0.032 0.000 0.975 545 Q HN 0.337 nan 8.270 nan 0.000 0.413 546 V N 1.283 121.034 119.914 -0.272 0.000 2.278 546 V HA -0.307 3.809 4.120 -0.007 0.000 0.251 546 V C 2.409 178.259 176.094 -0.408 0.000 1.062 546 V CA 2.041 64.064 62.300 -0.462 0.000 1.038 546 V CB -0.844 30.420 31.823 -0.932 0.000 0.646 546 V HN 0.283 nan 8.190 nan 0.000 0.447 547 L N 0.098 121.130 121.223 -0.319 0.000 1.956 547 L HA -0.220 4.116 4.340 -0.007 0.000 0.216 547 L C 2.575 179.322 176.870 -0.206 0.000 1.073 547 L CA 2.078 56.776 54.840 -0.237 0.000 0.762 547 L CB -0.988 40.999 42.059 -0.120 0.000 0.889 547 L HN 0.346 nan 8.230 nan 0.000 0.433 548 N N -0.222 118.401 118.700 -0.128 0.000 2.061 548 N HA -0.218 4.518 4.740 -0.007 0.000 0.193 548 N C 1.903 177.317 175.510 -0.159 0.000 1.030 548 N CA 1.766 54.762 53.050 -0.090 0.000 0.856 548 N CB -0.292 38.187 38.487 -0.014 0.000 1.023 548 N HN 0.358 nan 8.380 nan 0.000 0.424 549 M N 0.578 119.983 119.600 -0.325 0.000 2.065 549 M HA -0.153 4.323 4.480 -0.007 0.000 0.259 549 M C 2.126 178.240 176.300 -0.310 0.000 1.069 549 M CA 1.297 56.381 55.300 -0.360 0.000 1.110 549 M CB -0.455 31.950 32.600 -0.326 0.000 1.328 549 M HN 0.091 nan 8.290 nan 0.000 0.405 550 L N -0.746 120.177 121.223 -0.499 0.000 1.971 550 L HA -0.292 4.044 4.340 -0.007 0.000 0.215 550 L C 2.651 179.083 176.870 -0.730 0.000 1.072 550 L CA 2.114 56.430 54.840 -0.874 0.000 0.758 550 L CB -1.726 39.234 42.059 -1.832 0.000 0.889 550 L HN 0.346 nan 8.230 nan 0.000 0.433 551 Y N -0.541 119.318 120.300 -0.735 0.000 2.132 551 Y HA -0.327 4.219 4.550 -0.007 0.000 0.280 551 Y C 2.479 178.354 175.900 -0.043 0.000 1.193 551 Y CA 1.339 59.260 58.100 -0.299 0.000 1.157 551 Y CB -1.018 37.343 38.460 -0.166 0.000 0.966 551 Y HN 0.165 nan 8.280 nan 0.000 0.511 552 W N 0.261 121.436 121.300 -0.208 0.000 2.363 552 W HA -0.097 4.559 4.660 -0.007 0.000 0.296 552 W C 0.648 177.084 176.519 -0.137 0.000 1.212 552 W CA 0.992 58.188 57.345 -0.248 0.000 1.260 552 W CB -0.039 29.222 29.460 -0.333 0.000 1.131 552 W HN -0.290 nan 8.180 nan 0.000 0.530 553 V N 2.206 122.233 119.914 0.188 0.000 2.614 553 V HA -0.050 4.066 4.120 -0.007 0.000 0.291 553 V C -1.131 175.103 176.094 0.234 0.000 1.049 553 V CA -1.170 61.218 62.300 0.148 0.000 1.038 553 V CB 0.375 32.252 31.823 0.090 0.000 0.980 553 V HN -0.129 nan 8.190 nan 0.000 0.481 554 P HA -0.109 nan 4.420 nan 0.000 0.213 554 P C 1.209 178.653 177.300 0.241 0.000 1.170 554 P CA 1.079 64.307 63.100 0.213 0.000 0.898 554 P CB 0.261 32.050 31.700 0.147 0.000 0.787 555 D N -2.115 118.401 120.400 0.194 0.000 2.144 555 D HA -0.130 4.506 4.640 -0.007 0.000 0.199 555 D C 0.342 176.766 176.300 0.207 0.000 0.984 555 D CA 0.388 54.487 54.000 0.164 0.000 0.834 555 D CB -0.639 40.228 40.800 0.110 0.000 0.955 555 D HN 0.065 nan 8.370 nan 0.000 0.465 556 W N 3.367 124.704 121.300 0.062 0.000 2.441 556 W HA -0.237 4.418 4.660 -0.007 0.000 0.330 556 W C 0.807 177.351 176.519 0.041 0.000 0.699 556 W CA 0.223 57.604 57.345 0.060 0.000 0.620 556 W CB -0.274 29.249 29.460 0.104 0.000 1.140 556 W HN 0.138 nan 8.180 nan 0.000 0.503 557 D N 3.985 124.205 120.400 -0.301 0.000 2.363 557 D HA 0.080 4.716 4.640 -0.007 0.000 0.226 557 D C 1.613 177.423 176.300 -0.816 0.000 1.020 557 D CA 0.706 54.450 54.000 -0.428 0.000 0.892 557 D CB -0.493 40.175 40.800 -0.220 0.000 0.900 557 D HN 1.047 nan 8.370 nan 0.000 0.531 558 G N -0.186 107.443 108.800 -1.951 0.000 2.149 558 G HA2 -0.215 3.741 3.960 -0.007 0.000 0.235 558 G HA3 -0.215 3.741 3.960 -0.007 0.000 0.235 558 G C -0.006 174.266 174.900 -1.047 0.000 1.018 558 G CA 0.084 43.910 45.100 -2.124 0.000 0.728 558 G HN 0.360 nan 8.290 nan 0.000 0.508 559 V N 2.832 122.458 119.914 -0.480 0.000 2.250 559 V HA 0.332 4.448 4.120 -0.007 0.000 0.268 559 V C 0.839 177.102 176.094 0.281 0.000 1.043 559 V CA -1.298 60.998 62.300 -0.007 0.000 0.814 559 V CB 0.799 32.605 31.823 -0.027 0.000 1.072 559 V HN 0.323 nan 8.190 nan 0.000 0.451 560 I N 6.805 127.581 120.570 0.344 0.000 2.845 560 I HA 0.082 4.248 4.170 -0.007 0.000 0.296 560 I C -1.451 174.852 176.117 0.309 0.000 1.216 560 I CA -0.871 60.657 61.300 0.381 0.000 1.438 560 I CB 0.126 38.313 38.000 0.312 0.000 1.342 560 I HN 0.395 nan 8.210 nan 0.000 0.577 561 P HA 0.244 nan 4.420 nan 0.000 0.287 561 P C -0.694 176.868 177.300 0.436 0.000 1.279 561 P CA -0.467 62.818 63.100 0.307 0.000 0.867 561 P CB 1.317 33.181 31.700 0.273 0.000 1.127 562 T N 3.151 117.824 114.554 0.199 0.000 2.940 562 T HA 0.244 4.590 4.350 -0.007 0.000 0.309 562 T C -2.108 172.511 174.700 -0.135 0.000 1.056 562 T CA -0.282 61.833 62.100 0.025 0.000 1.137 562 T CB -0.520 68.346 68.868 -0.003 0.000 0.976 562 T HN 0.403 nan 8.240 nan 0.000 0.547 563 P HA 0.460 nan 4.420 nan 0.000 0.290 563 P C 0.034 176.974 177.300 -0.599 0.000 1.275 563 P CA -0.696 61.715 63.100 -1.147 0.000 0.841 563 P CB 0.916 31.556 31.700 -1.766 0.000 1.042 564 A N 2.821 125.383 122.820 -0.431 0.000 1.929 564 A HA 0.034 4.350 4.320 -0.007 0.000 0.216 564 A C 0.983 178.420 177.584 -0.246 0.000 1.176 564 A CA 1.125 53.026 52.037 -0.227 0.000 0.628 564 A CB -0.793 18.149 19.000 -0.096 0.000 0.816 564 A HN 0.514 nan 8.150 nan 0.000 0.444 565 I N -0.564 119.801 120.570 -0.343 0.000 2.488 565 I HA 0.301 4.467 4.170 -0.007 0.000 0.299 565 I C 0.587 176.511 176.117 -0.322 0.000 0.984 565 I CA -0.217 60.904 61.300 -0.299 0.000 1.250 565 I CB 1.712 39.495 38.000 -0.362 0.000 1.389 565 I HN 0.210 nan 8.210 nan 0.000 0.488 566 I N 3.136 123.570 120.570 -0.226 0.000 3.739 566 I HA 0.024 4.190 4.170 -0.007 0.000 0.272 566 I C 1.254 177.291 176.117 -0.133 0.000 1.167 566 I CA -0.266 60.922 61.300 -0.188 0.000 1.386 566 I CB -0.216 37.691 38.000 -0.156 0.000 1.490 566 I HN 0.542 nan 8.210 nan 0.000 0.452 567 K N 3.578 123.913 120.400 -0.108 0.000 2.274 567 K HA -0.172 4.143 4.320 -0.007 0.000 0.246 567 K C -1.376 175.175 176.600 -0.081 0.000 1.015 567 K CA 0.324 56.561 56.287 -0.083 0.000 0.754 567 K CB -1.828 30.625 32.500 -0.079 0.000 0.927 567 K HN -0.046 nan 8.250 nan 0.000 0.678 568 P HA -0.297 nan 4.420 nan 0.000 0.221 568 P C -0.530 176.743 177.300 -0.046 0.000 1.158 568 P CA 2.290 65.359 63.100 -0.052 0.000 0.824 568 P CB -0.231 31.442 31.700 -0.045 0.000 0.715 569 K N -2.210 118.153 120.400 -0.061 0.000 2.925 569 K HA 0.155 4.470 4.320 -0.007 0.000 0.349 569 K C -3.302 173.246 176.600 -0.086 0.000 1.309 569 K CA -0.667 55.596 56.287 -0.040 0.000 1.066 569 K CB 0.583 33.060 32.500 -0.038 0.000 1.327 569 K HN -0.212 nan 8.250 nan 0.000 0.436 570 P HA 0.407 nan 4.420 nan 0.000 0.305 570 P C -1.350 175.828 177.300 -0.202 0.000 1.387 570 P CA -0.683 62.287 63.100 -0.217 0.000 0.903 570 P CB 1.167 32.735 31.700 -0.220 0.000 0.979 571 L N 4.136 125.194 121.223 -0.275 0.000 2.334 571 L HA 0.575 4.910 4.340 -0.007 0.000 0.273 571 L C 0.094 176.981 176.870 0.027 0.000 1.013 571 L CA -0.534 54.300 54.840 -0.011 0.000 0.816 571 L CB 1.018 42.841 42.059 -0.393 0.000 1.278 571 L HN 0.426 nan 8.230 nan 0.000 0.431 572 W N 0.320 121.636 121.300 0.027 0.000 2.758 572 W HA 0.588 5.245 4.660 -0.007 0.000 0.355 572 W C 0.172 176.900 176.519 0.348 0.000 1.223 572 W CA -0.773 56.630 57.345 0.097 0.000 1.182 572 W CB 1.889 31.395 29.460 0.078 0.000 1.464 572 W HN 0.490 nan 8.180 nan 0.000 0.630 573 S N -0.341 115.677 115.700 0.529 0.000 2.690 573 S HA 0.501 4.967 4.470 -0.007 0.000 0.291 573 S C 0.815 175.505 174.600 0.149 0.000 1.138 573 S CA 0.093 58.526 58.200 0.389 0.000 1.013 573 S CB 1.438 64.781 63.200 0.239 0.000 1.053 573 S HN 0.616 nan 8.310 nan 0.000 0.539 574 G N 2.034 110.822 108.800 -0.020 0.000 2.639 574 G HA2 -0.180 3.775 3.960 -0.007 0.000 0.216 574 G HA3 -0.180 3.775 3.960 -0.007 0.000 0.216 574 G C 1.259 176.089 174.900 -0.116 0.000 1.267 574 G CA 1.031 46.035 45.100 -0.159 0.000 0.801 574 G HN 0.825 nan 8.290 nan 0.000 0.592 575 K N -0.151 120.182 120.400 -0.111 0.000 2.037 575 K HA -0.351 3.964 4.320 -0.007 0.000 0.229 575 K C 2.517 179.097 176.600 -0.033 0.000 1.040 575 K CA 2.233 58.475 56.287 -0.076 0.000 0.981 575 K CB -0.739 31.736 32.500 -0.042 0.000 0.749 575 K HN 0.421 nan 8.250 nan 0.000 0.451 576 Q N -0.098 119.723 119.800 0.035 0.000 2.065 576 Q HA -0.242 4.093 4.340 -0.007 0.000 0.213 576 Q C 2.255 178.281 176.000 0.042 0.000 1.012 576 Q CA 2.616 58.471 55.803 0.087 0.000 0.876 576 Q CB -0.456 28.414 28.738 0.220 0.000 0.954 576 Q HN 0.563 nan 8.270 nan 0.000 0.413 577 I N -1.426 119.139 120.570 -0.007 0.000 2.876 577 I HA -0.105 4.060 4.170 -0.007 0.000 0.264 577 I C 2.117 178.194 176.117 -0.067 0.000 1.204 577 I CA 0.298 61.568 61.300 -0.050 0.000 1.485 577 I CB -0.422 37.511 38.000 -0.111 0.000 1.103 577 I HN 0.067 nan 8.210 nan 0.000 0.446 578 L N 1.130 122.302 121.223 -0.086 0.000 2.187 578 L HA -0.139 4.197 4.340 -0.007 0.000 0.213 578 L C 2.352 179.179 176.870 -0.071 0.000 1.100 578 L CA 1.621 56.400 54.840 -0.101 0.000 0.765 578 L CB -1.030 40.949 42.059 -0.132 0.000 0.904 578 L HN 0.209 nan 8.230 nan 0.000 0.437 579 S N -0.777 114.892 115.700 -0.053 0.000 2.407 579 S HA -0.203 4.263 4.470 -0.007 0.000 0.235 579 S C 1.926 176.517 174.600 -0.015 0.000 1.036 579 S CA 1.525 59.704 58.200 -0.034 0.000 1.013 579 S CB -0.590 62.605 63.200 -0.008 0.000 0.820 579 S HN 0.435 nan 8.310 nan 0.000 0.476 580 V N 1.320 121.233 119.914 -0.001 0.000 2.548 580 V HA -0.105 4.011 4.120 -0.007 0.000 0.249 580 V C 2.476 178.586 176.094 0.027 0.000 1.055 580 V CA 1.433 63.757 62.300 0.040 0.000 1.065 580 V CB -0.989 30.850 31.823 0.026 0.000 0.681 580 V HN 0.549 nan 8.190 nan 0.000 0.462 581 A N -0.363 122.448 122.820 -0.015 0.000 1.968 581 A HA 0.024 4.340 4.320 -0.007 0.000 0.217 581 A C 1.155 178.723 177.584 -0.026 0.000 1.169 581 A CA 0.724 52.750 52.037 -0.018 0.000 0.638 581 A CB -0.294 18.680 19.000 -0.044 0.000 0.812 581 A HN 0.363 nan 8.150 nan 0.000 0.446 582 I N 1.851 122.397 120.570 -0.040 0.000 2.471 582 I HA 0.153 4.319 4.170 -0.007 0.000 0.286 582 I C -1.674 174.418 176.117 -0.041 0.000 1.079 582 I CA -2.667 58.600 61.300 -0.054 0.000 1.398 582 I CB 0.233 38.188 38.000 -0.075 0.000 1.403 582 I HN 0.167 nan 8.210 nan 0.000 0.530 583 P HA 0.077 nan 4.420 nan 0.000 0.296 583 P C -0.919 176.346 177.300 -0.059 0.000 1.295 583 P CA -0.343 62.733 63.100 -0.040 0.000 0.754 583 P CB 0.774 32.453 31.700 -0.036 0.000 1.311 584 N N -1.375 117.296 118.700 -0.049 0.000 2.399 584 N HA 0.449 5.185 4.740 -0.007 0.000 0.284 584 N C 0.385 175.858 175.510 -0.060 0.000 1.025 584 N CA -0.343 52.665 53.050 -0.069 0.000 0.885 584 N CB 1.792 40.251 38.487 -0.046 0.000 1.339 584 N HN 0.814 nan 8.380 nan 0.000 0.487 585 G N 1.167 109.901 108.800 -0.109 0.000 2.174 585 G HA2 -0.118 3.838 3.960 -0.007 0.000 0.140 585 G HA3 -0.118 3.838 3.960 -0.007 0.000 0.140 585 G C -0.633 174.188 174.900 -0.131 0.000 1.031 585 G CA -0.518 44.577 45.100 -0.009 0.000 0.728 585 G HN 0.454 nan 8.290 nan 0.000 0.496 586 I N 3.217 123.546 120.570 -0.402 0.000 2.330 586 I HA 0.382 4.548 4.170 -0.007 0.000 0.286 586 I C -0.056 175.826 176.117 -0.391 0.000 1.025 586 I CA -0.743 60.377 61.300 -0.300 0.000 1.197 586 I CB 0.321 38.232 38.000 -0.148 0.000 1.358 586 I HN 0.149 nan 8.210 nan 0.000 0.467 587 H N 6.575 125.633 119.070 -0.020 0.000 2.459 587 H HA 0.554 5.105 4.556 -0.007 0.000 0.332 587 H C -1.011 174.301 175.328 -0.026 0.000 1.094 587 H CA -0.947 55.086 56.048 -0.024 0.000 1.224 587 H CB 3.068 32.822 29.762 -0.015 0.000 1.449 587 H HN 0.245 nan 8.280 nan 0.000 0.484 588 L N 2.716 123.968 121.223 0.048 0.000 2.476 588 L HA 0.218 4.554 4.340 -0.007 0.000 0.269 588 L C -0.629 176.234 176.870 -0.011 0.000 0.965 588 L CA -0.289 54.557 54.840 0.010 0.000 0.845 588 L CB 2.127 44.170 42.059 -0.026 0.000 1.259 588 L HN 0.642 nan 8.230 nan 0.000 0.403 589 Q N 3.424 123.241 119.800 0.029 0.000 2.331 589 Q HA 0.487 4.822 4.340 -0.007 0.000 0.267 589 Q C -0.082 175.962 176.000 0.073 0.000 1.006 589 Q CA -0.241 55.599 55.803 0.062 0.000 0.818 589 Q CB 2.538 31.357 28.738 0.135 0.000 1.276 589 Q HN 0.717 nan 8.270 nan 0.000 0.450 590 R N 2.534 123.053 120.500 0.031 0.000 3.007 590 R HA 0.232 4.568 4.340 -0.007 0.000 0.162 590 R C -0.770 175.605 176.300 0.126 0.000 1.083 590 R CA 0.097 56.231 56.100 0.057 0.000 1.093 590 R CB 0.677 30.984 30.300 0.011 0.000 1.305 590 R HN 0.665 nan 8.270 nan 0.000 0.511 591 F N 2.564 122.568 119.950 0.090 0.000 2.086 591 F HA -0.243 4.280 4.527 -0.007 0.000 0.393 591 F C -0.553 175.257 175.800 0.016 0.000 1.154 591 F CA 0.829 58.854 58.000 0.041 0.000 1.298 591 F CB -0.341 38.676 39.000 0.029 0.000 2.015 591 F HN 0.358 nan 8.300 nan 0.000 0.739 592 D N 2.360 122.838 120.400 0.131 0.000 2.723 592 D HA 0.259 4.895 4.640 -0.007 0.000 0.247 592 D C 1.119 177.463 176.300 0.072 0.000 1.134 592 D CA -0.522 53.528 54.000 0.083 0.000 1.099 592 D CB 0.265 41.088 40.800 0.038 0.000 1.287 592 D HN 0.511 nan 8.370 nan 0.000 0.634 593 E N 0.398 120.620 120.200 0.037 0.000 2.028 593 E HA -0.140 4.205 4.350 -0.007 0.000 0.217 593 E C 1.011 177.625 176.600 0.022 0.000 1.039 593 E CA 1.476 57.890 56.400 0.024 0.000 0.882 593 E CB -0.367 29.336 29.700 0.006 0.000 0.794 593 E HN 0.463 nan 8.360 nan 0.000 0.488 594 G N 0.523 109.327 108.800 0.006 0.000 3.506 594 G HA2 0.227 4.183 3.960 -0.007 0.000 0.268 594 G HA3 0.227 4.183 3.960 -0.007 0.000 0.268 594 G C -0.752 174.145 174.900 -0.004 0.000 0.959 594 G CA -0.131 44.969 45.100 0.001 0.000 1.823 594 G HN -0.003 nan 8.290 nan 0.000 0.615 595 T N 0.054 114.634 114.554 0.043 0.000 2.906 595 T HA 0.727 5.073 4.350 -0.007 0.000 0.295 595 T C -0.059 174.736 174.700 0.158 0.000 1.075 595 T CA -0.393 61.733 62.100 0.043 0.000 1.005 595 T CB 2.019 70.933 68.868 0.076 0.000 1.136 595 T HN 0.256 nan 8.240 nan 0.000 0.498 596 T N 1.080 115.681 114.554 0.078 0.000 4.803 596 T HA 0.097 4.443 4.350 -0.007 0.000 0.158 596 T C 0.394 175.090 174.700 -0.006 0.000 0.666 596 T CA -0.836 61.335 62.100 0.118 0.000 0.946 596 T CB -1.413 67.450 68.868 -0.009 0.000 0.933 596 T HN 0.683 nan 8.240 nan 0.000 0.444 597 L N -0.638 120.565 121.223 -0.033 0.000 4.285 597 L HA -0.236 4.100 4.340 -0.007 0.000 0.491 597 L C 0.989 177.822 176.870 -0.061 0.000 1.016 597 L CA 1.233 56.051 54.840 -0.038 0.000 0.959 597 L CB -1.563 40.587 42.059 0.153 0.000 1.838 597 L HN 0.637 nan 8.230 nan 0.000 1.078 598 L N -2.216 118.897 121.223 -0.182 0.000 3.500 598 L HA 0.125 4.461 4.340 -0.007 0.000 0.320 598 L C 1.263 177.994 176.870 -0.232 0.000 1.205 598 L CA 0.558 55.318 54.840 -0.134 0.000 1.117 598 L CB 0.533 42.557 42.059 -0.058 0.000 1.542 598 L HN 0.342 nan 8.230 nan 0.000 0.622 599 S N 0.978 116.445 115.700 -0.388 0.000 3.260 599 S HA -0.143 4.322 4.470 -0.007 0.000 0.398 599 S C -1.312 173.183 174.600 -0.174 0.000 0.995 599 S CA 0.770 58.754 58.200 -0.359 0.000 1.149 599 S CB -1.261 61.620 63.200 -0.531 0.000 0.883 599 S HN 0.459 nan 8.310 nan 0.000 0.469 600 P HA -0.132 nan 4.420 nan 0.000 0.233 600 P C 0.540 177.806 177.300 -0.056 0.000 1.157 600 P CA 0.950 64.012 63.100 -0.063 0.000 0.764 600 P CB -0.053 31.621 31.700 -0.042 0.000 0.798 601 K N -0.338 120.015 120.400 -0.078 0.000 2.374 601 K HA 0.027 4.343 4.320 -0.007 0.000 0.196 601 K C 0.344 176.915 176.600 -0.049 0.000 1.023 601 K CA -0.182 56.071 56.287 -0.056 0.000 1.103 601 K CB -0.173 32.295 32.500 -0.052 0.000 0.848 601 K HN -0.164 nan 8.250 nan 0.000 0.528 602 D N 1.514 121.879 120.400 -0.057 0.000 2.697 602 D HA -0.197 4.439 4.640 -0.007 0.000 0.235 602 D C -0.928 175.354 176.300 -0.030 0.000 1.167 602 D CA 0.572 54.558 54.000 -0.022 0.000 0.656 602 D CB -1.007 39.790 40.800 -0.005 0.000 1.025 602 D HN 0.193 nan 8.370 nan 0.000 0.419 603 N N -0.067 118.577 118.700 -0.094 0.000 2.447 603 N HA 0.696 5.432 4.740 -0.007 0.000 0.271 603 N C 0.976 176.459 175.510 -0.046 0.000 1.226 603 N CA 0.756 53.763 53.050 -0.072 0.000 0.980 603 N CB 0.713 39.138 38.487 -0.104 0.000 1.206 603 N HN 0.488 nan 8.380 nan 0.000 0.558 604 G N -0.391 108.396 108.800 -0.022 0.000 2.804 604 G HA2 -0.116 3.840 3.960 -0.007 0.000 0.230 604 G HA3 -0.116 3.840 3.960 -0.007 0.000 0.230 604 G C -0.730 174.231 174.900 0.102 0.000 1.386 604 G CA 0.125 45.221 45.100 -0.008 0.000 0.875 604 G HN 0.663 nan 8.290 nan 0.000 0.557 605 M N -1.038 118.608 119.600 0.077 0.000 2.371 605 M HA 0.791 5.267 4.480 -0.007 0.000 0.287 605 M C -1.822 174.415 176.300 -0.106 0.000 1.149 605 M CA -0.863 54.442 55.300 0.008 0.000 0.929 605 M CB 1.948 34.527 32.600 -0.036 0.000 1.683 605 M HN 1.274 nan 8.290 nan 0.000 0.470 606 L N 6.038 127.036 121.223 -0.375 0.000 2.441 606 L HA 0.802 5.138 4.340 -0.007 0.000 0.270 606 L C -1.973 174.671 176.870 -0.377 0.000 0.973 606 L CA -0.203 54.306 54.840 -0.552 0.000 0.842 606 L CB 1.444 42.571 42.059 -1.552 0.000 1.239 606 L HN 0.842 nan 8.230 nan 0.000 0.406 607 I N 6.008 126.456 120.570 -0.203 0.000 2.685 607 I HA 0.398 4.564 4.170 -0.007 0.000 0.289 607 I C -1.236 174.811 176.117 -0.117 0.000 1.292 607 I CA -0.463 60.728 61.300 -0.181 0.000 1.050 607 I CB 2.142 40.052 38.000 -0.150 0.000 1.301 607 I HN 0.358 nan 8.210 nan 0.000 0.425 608 I N 4.496 124.993 120.570 -0.122 0.000 2.354 608 I HA 0.463 4.629 4.170 -0.007 0.000 0.286 608 I C -0.413 175.587 176.117 -0.195 0.000 1.007 608 I CA -0.456 60.778 61.300 -0.110 0.000 1.167 608 I CB 0.657 38.650 38.000 -0.012 0.000 1.320 608 I HN 0.599 nan 8.210 nan 0.000 0.458 609 D N 5.015 125.132 120.400 -0.472 0.000 7.535 609 D HA -0.130 4.506 4.640 -0.007 0.000 0.259 609 D C 1.282 177.438 176.300 -0.241 0.000 2.071 609 D CA 1.482 55.243 54.000 -0.398 0.000 1.897 609 D CB 0.139 40.848 40.800 -0.152 0.000 0.821 609 D HN 1.118 nan 8.370 nan 0.000 0.521 610 G N 3.460 112.126 108.800 -0.223 0.000 2.228 610 G HA2 -0.213 3.743 3.960 -0.007 0.000 0.291 610 G HA3 -0.213 3.743 3.960 -0.007 0.000 0.291 610 G C 0.100 174.945 174.900 -0.091 0.000 0.727 610 G CA 1.162 46.184 45.100 -0.130 0.000 0.835 610 G HN 0.471 nan 8.290 nan 0.000 0.470 611 Q N -1.066 118.667 119.800 -0.111 0.000 2.295 611 Q HA 0.342 4.677 4.340 -0.007 0.000 0.268 611 Q C -0.349 175.583 176.000 -0.113 0.000 1.010 611 Q CA -0.761 54.989 55.803 -0.088 0.000 0.856 611 Q CB 2.298 30.994 28.738 -0.069 0.000 1.349 611 Q HN 0.466 nan 8.270 nan 0.000 0.412 612 I N 2.558 123.067 120.570 -0.103 0.000 2.365 612 I HA 0.303 4.468 4.170 -0.007 0.000 0.291 612 I C -0.198 175.814 176.117 -0.175 0.000 1.004 612 I CA -0.193 61.021 61.300 -0.143 0.000 1.311 612 I CB 0.452 38.377 38.000 -0.126 0.000 1.401 612 I HN 0.603 nan 8.210 nan 0.000 0.491 613 I N 6.687 127.072 120.570 -0.308 0.000 4.033 613 I HA 0.273 4.439 4.170 -0.007 0.000 0.296 613 I C -0.099 175.761 176.117 -0.427 0.000 1.210 613 I CA 0.517 61.631 61.300 -0.310 0.000 1.341 613 I CB -0.196 37.592 38.000 -0.353 0.000 1.369 613 I HN 0.607 nan 8.210 nan 0.000 0.453 614 F N 0.413 120.326 119.950 -0.062 0.000 2.693 614 F HA 0.791 5.314 4.527 -0.007 0.000 0.309 614 F C -0.248 175.499 175.800 -0.089 0.000 1.129 614 F CA -1.693 56.267 58.000 -0.067 0.000 0.948 614 F CB 0.822 39.783 39.000 -0.066 0.000 1.315 614 F HN 0.116 nan 8.300 nan 0.000 0.447 615 G N 0.672 109.634 108.800 0.270 0.000 2.906 615 G HA2 0.304 4.260 3.960 -0.007 0.000 0.686 615 G HA3 0.304 4.260 3.960 -0.007 0.000 0.686 615 G C -1.312 173.617 174.900 0.049 0.000 1.170 615 G CA -0.686 44.550 45.100 0.226 0.000 0.775 615 G HN 1.161 nan 8.290 nan 0.000 0.630 616 V N 1.190 121.113 119.914 0.014 0.000 2.901 616 V HA 0.263 4.379 4.120 -0.007 0.000 0.307 616 V C 1.256 177.327 176.094 -0.039 0.000 1.084 616 V CA -0.124 62.157 62.300 -0.032 0.000 1.184 616 V CB 1.423 33.222 31.823 -0.040 0.000 0.941 616 V HN 0.903 nan 8.190 nan 0.000 0.493 617 V N 4.715 124.589 119.914 -0.066 0.000 2.350 617 V HA 0.548 4.664 4.120 -0.007 0.000 0.276 617 V C 0.082 176.139 176.094 -0.060 0.000 1.028 617 V CA -0.175 62.086 62.300 -0.065 0.000 0.860 617 V CB 1.163 32.934 31.823 -0.085 0.000 0.990 617 V HN 1.166 nan 8.190 nan 0.000 0.453 618 E N 3.937 124.113 120.200 -0.040 0.000 2.359 618 E HA 0.384 4.730 4.350 -0.007 0.000 0.223 618 E C 0.850 177.444 176.600 -0.011 0.000 0.877 618 E CA -0.734 55.650 56.400 -0.028 0.000 0.887 618 E CB 0.474 30.159 29.700 -0.025 0.000 1.890 618 E HN 0.056 nan 8.360 nan 0.000 0.419 619 K N -0.157 120.243 120.400 -0.000 0.000 2.113 619 K HA -0.106 4.210 4.320 -0.007 0.000 0.208 619 K C 1.114 177.723 176.600 0.015 0.000 1.047 619 K CA 1.876 58.170 56.287 0.011 0.000 0.928 619 K CB -0.129 32.381 32.500 0.017 0.000 0.716 619 K HN 0.355 nan 8.250 nan 0.000 0.446 620 K N -0.771 119.636 120.400 0.011 0.000 2.487 620 K HA 0.036 4.352 4.320 -0.007 0.000 0.192 620 K C 1.010 177.617 176.600 0.012 0.000 1.027 620 K CA 0.862 57.159 56.287 0.017 0.000 1.054 620 K CB 0.591 33.102 32.500 0.019 0.000 0.824 620 K HN 0.081 nan 8.250 nan 0.000 0.510 621 T N -0.983 113.571 114.554 0.001 0.000 3.015 621 T HA 0.042 4.388 4.350 -0.007 0.000 0.250 621 T C 1.170 175.861 174.700 -0.014 0.000 1.057 621 T CA 0.323 62.417 62.100 -0.010 0.000 1.066 621 T CB 0.692 69.543 68.868 -0.027 0.000 0.959 621 T HN 0.132 nan 8.240 nan 0.000 0.488 622 V N 0.402 120.313 119.914 -0.006 0.000 3.908 622 V HA 0.497 4.613 4.120 -0.007 0.000 0.348 622 V C 0.772 176.882 176.094 0.028 0.000 1.625 622 V CA 0.228 62.520 62.300 -0.012 0.000 1.399 622 V CB -0.166 31.637 31.823 -0.033 0.000 1.032 622 V HN 0.386 nan 8.190 nan 0.000 0.467 623 G N 1.254 110.074 108.800 0.032 0.000 2.447 623 G HA2 0.237 4.192 3.960 -0.007 0.000 0.269 623 G HA3 0.237 4.192 3.960 -0.007 0.000 0.269 623 G C 0.733 175.675 174.900 0.070 0.000 1.455 623 G CA 0.484 45.615 45.100 0.050 0.000 1.061 623 G HN 1.175 nan 8.290 nan 0.000 0.545 624 S N -0.597 115.141 115.700 0.063 0.000 2.526 624 S HA 0.350 4.816 4.470 -0.007 0.000 0.247 624 S C 0.864 175.499 174.600 0.058 0.000 1.076 624 S CA 0.073 58.312 58.200 0.064 0.000 1.105 624 S CB -0.469 62.752 63.200 0.034 0.000 0.793 624 S HN 0.674 nan 8.310 nan 0.000 0.458 625 S N 1.916 117.653 115.700 0.062 0.000 2.650 625 S HA 0.161 4.626 4.470 -0.007 0.000 0.251 625 S C 1.165 175.830 174.600 0.108 0.000 1.325 625 S CA -0.535 57.707 58.200 0.069 0.000 0.967 625 S CB 0.086 63.320 63.200 0.057 0.000 1.000 625 S HN 0.462 nan 8.310 nan 0.000 0.584 626 N N 0.756 119.517 118.700 0.101 0.000 2.220 626 N HA -0.017 4.719 4.740 -0.007 0.000 0.182 626 N C 1.761 177.298 175.510 0.045 0.000 1.023 626 N CA 1.224 54.342 53.050 0.114 0.000 0.856 626 N CB -0.732 37.799 38.487 0.072 0.000 0.997 626 N HN 0.738 nan 8.380 nan 0.000 0.429 627 G N -0.732 108.088 108.800 0.033 0.000 2.539 627 G HA2 0.148 4.104 3.960 -0.007 0.000 0.215 627 G HA3 0.148 4.104 3.960 -0.007 0.000 0.215 627 G C 0.504 175.424 174.900 0.032 0.000 1.141 627 G CA 0.515 45.620 45.100 0.007 0.000 0.806 627 G HN 0.514 nan 8.290 nan 0.000 0.533 628 G N 0.239 109.069 108.800 0.050 0.000 2.427 628 G HA2 -0.223 3.732 3.960 -0.007 0.000 0.189 628 G HA3 -0.223 3.732 3.960 -0.007 0.000 0.189 628 G C 0.722 175.649 174.900 0.045 0.000 0.418 628 G CA 0.163 45.304 45.100 0.069 0.000 0.950 628 G HN 0.503 nan 8.290 nan 0.000 0.372 629 L N 1.225 122.448 121.223 -0.001 0.000 2.447 629 L HA -0.111 4.225 4.340 -0.007 0.000 0.225 629 L C 2.235 179.075 176.870 -0.049 0.000 1.148 629 L CA 1.516 56.334 54.840 -0.036 0.000 0.808 629 L CB -0.161 41.851 42.059 -0.078 0.000 0.928 629 L HN 0.729 nan 8.230 nan 0.000 0.448 630 I N -2.659 117.898 120.570 -0.022 0.000 2.900 630 I HA -0.111 4.055 4.170 -0.007 0.000 0.251 630 I C 2.368 178.474 176.117 -0.018 0.000 1.102 630 I CA 0.453 61.709 61.300 -0.074 0.000 1.457 630 I CB -1.136 36.816 38.000 -0.080 0.000 1.285 630 I HN 0.039 nan 8.210 nan 0.000 0.459 631 H N 1.599 120.661 119.070 -0.013 0.000 2.337 631 H HA -0.220 4.332 4.556 -0.007 0.000 0.288 631 H C 2.212 177.538 175.328 -0.003 0.000 1.117 631 H CA 2.460 58.508 56.048 0.001 0.000 1.205 631 H CB -0.156 29.611 29.762 0.009 0.000 1.353 631 H HN 0.127 nan 8.280 nan 0.000 0.480 632 V N -0.339 119.675 119.914 0.167 0.000 2.323 632 V HA -0.176 3.940 4.120 -0.007 0.000 0.244 632 V C 2.900 179.028 176.094 0.057 0.000 1.041 632 V CA 1.447 63.814 62.300 0.111 0.000 1.025 632 V CB -0.546 31.308 31.823 0.052 0.000 0.656 632 V HN 0.226 nan 8.190 nan 0.000 0.451 633 V N -0.359 119.558 119.914 0.006 0.000 2.667 633 V HA -0.197 3.919 4.120 -0.007 0.000 0.252 633 V C 2.494 178.577 176.094 -0.018 0.000 1.065 633 V CA 2.269 64.554 62.300 -0.026 0.000 1.083 633 V CB -0.488 31.286 31.823 -0.081 0.000 0.692 633 V HN 0.606 nan 8.190 nan 0.000 0.468 634 T N -0.877 113.667 114.554 -0.017 0.000 2.951 634 T HA -0.084 4.262 4.350 -0.007 0.000 0.268 634 T C 1.994 176.704 174.700 0.017 0.000 1.073 634 T CA 0.962 63.055 62.100 -0.012 0.000 1.134 634 T CB -0.090 68.753 68.868 -0.042 0.000 0.884 634 T HN 0.249 nan 8.240 nan 0.000 0.479 635 R N -0.069 120.459 120.500 0.048 0.000 2.307 635 R HA 0.254 4.590 4.340 -0.007 0.000 0.200 635 R C 1.946 178.277 176.300 0.052 0.000 0.893 635 R CA 0.270 56.409 56.100 0.064 0.000 1.042 635 R CB 0.325 30.694 30.300 0.116 0.000 1.059 635 R HN 0.361 nan 8.270 nan 0.000 0.530 636 E N 1.075 121.304 120.200 0.049 0.000 2.011 636 E HA -0.056 4.290 4.350 -0.007 0.000 0.191 636 E C 1.637 178.257 176.600 0.035 0.000 0.979 636 E CA 1.161 57.589 56.400 0.045 0.000 0.822 636 E CB 0.259 29.992 29.700 0.054 0.000 0.782 636 E HN -0.120 nan 8.360 nan 0.000 0.459 637 K N -0.345 120.069 120.400 0.024 0.000 2.001 637 K HA 0.121 4.437 4.320 -0.007 0.000 0.208 637 K C 0.837 177.446 176.600 0.015 0.000 1.048 637 K CA 1.228 57.525 56.287 0.015 0.000 0.932 637 K CB -0.136 32.365 32.500 0.002 0.000 0.715 637 K HN 0.314 nan 8.250 nan 0.000 0.437 638 G N -0.356 108.452 108.800 0.013 0.000 2.361 638 G HA2 -0.003 3.953 3.960 -0.007 0.000 0.305 638 G HA3 -0.003 3.953 3.960 -0.007 0.000 0.305 638 G C -2.654 172.255 174.900 0.015 0.000 1.367 638 G CA -0.465 44.646 45.100 0.017 0.000 0.951 638 G HN -0.188 nan 8.290 nan 0.000 0.615 639 P HA -0.063 nan 4.420 nan 0.000 0.220 639 P C 1.268 178.584 177.300 0.027 0.000 1.152 639 P CA 1.229 64.339 63.100 0.018 0.000 0.812 639 P CB 0.288 31.995 31.700 0.011 0.000 0.792 640 Q N -0.198 119.616 119.800 0.024 0.000 2.172 640 Q HA -0.044 4.292 4.340 -0.007 0.000 0.200 640 Q C 2.295 178.315 176.000 0.033 0.000 0.964 640 Q CA 1.057 56.878 55.803 0.031 0.000 0.855 640 Q CB -0.532 28.222 28.738 0.027 0.000 0.918 640 Q HN 0.116 nan 8.270 nan 0.000 0.444 641 V N 0.280 120.206 119.914 0.020 0.000 2.343 641 V HA -0.321 3.795 4.120 -0.007 0.000 0.247 641 V C 2.342 178.436 176.094 -0.001 0.000 1.051 641 V CA 1.482 63.788 62.300 0.011 0.000 1.036 641 V CB -0.654 31.169 31.823 0.001 0.000 0.654 641 V HN 0.541 nan 8.190 nan 0.000 0.451 642 C N 0.045 119.341 119.300 -0.007 0.000 2.432 642 C HA -0.110 4.345 4.460 -0.007 0.000 0.277 642 C C 3.097 178.099 174.990 0.019 0.000 1.249 642 C CA 0.785 59.774 59.018 -0.050 0.000 1.725 642 C CB -1.246 26.482 27.740 -0.021 0.000 2.028 642 C HN 0.617 nan 8.230 nan 0.000 0.477 643 A N 0.205 123.087 122.820 0.103 0.000 1.848 643 A HA -0.310 4.006 4.320 -0.007 0.000 0.217 643 A C 2.236 179.937 177.584 0.195 0.000 1.220 643 A CA 2.327 54.487 52.037 0.204 0.000 0.645 643 A CB -1.093 17.982 19.000 0.126 0.000 0.842 643 A HN 0.700 nan 8.150 nan 0.000 0.451 644 K N -1.001 119.463 120.400 0.107 0.000 2.189 644 K HA -0.214 4.102 4.320 -0.007 0.000 0.207 644 K C 1.789 178.422 176.600 0.055 0.000 1.046 644 K CA 1.523 57.860 56.287 0.084 0.000 0.928 644 K CB -0.371 32.165 32.500 0.060 0.000 0.720 644 K HN 0.372 nan 8.250 nan 0.000 0.458 645 L N 0.583 121.799 121.223 -0.012 0.000 2.189 645 L HA -0.176 4.160 4.340 -0.007 0.000 0.214 645 L C 1.556 178.357 176.870 -0.114 0.000 1.097 645 L CA 1.671 56.444 54.840 -0.112 0.000 0.764 645 L CB -0.599 41.298 42.059 -0.269 0.000 0.900 645 L HN 0.149 nan 8.230 nan 0.000 0.436 646 F N -0.744 119.205 119.950 -0.002 0.000 2.234 646 F HA 0.027 4.550 4.527 -0.007 0.000 0.296 646 F C 2.418 178.213 175.800 -0.009 0.000 1.089 646 F CA 1.019 59.016 58.000 -0.005 0.000 1.343 646 F CB -0.835 38.166 39.000 0.002 0.000 1.040 646 F HN 0.186 nan 8.300 nan 0.000 0.498 647 G N 0.308 109.230 108.800 0.204 0.000 2.469 647 G HA2 -0.296 3.660 3.960 -0.007 0.000 0.219 647 G HA3 -0.296 3.660 3.960 -0.007 0.000 0.219 647 G C 1.424 176.355 174.900 0.051 0.000 1.150 647 G CA 1.385 46.552 45.100 0.111 0.000 0.763 647 G HN 0.279 nan 8.290 nan 0.000 0.561 648 N N 0.624 119.344 118.700 0.033 0.000 2.368 648 N HA 0.041 4.776 4.740 -0.007 0.000 0.176 648 N C 2.157 177.646 175.510 -0.035 0.000 1.021 648 N CA 0.475 53.526 53.050 0.001 0.000 0.888 648 N CB -0.280 38.216 38.487 0.016 0.000 0.995 648 N HN 0.399 nan 8.380 nan 0.000 0.437 649 I N 0.829 121.381 120.570 -0.029 0.000 2.423 649 I HA -0.265 3.901 4.170 -0.007 0.000 0.254 649 I C 2.131 178.227 176.117 -0.036 0.000 1.151 649 I CA 1.169 62.441 61.300 -0.047 0.000 1.421 649 I CB -0.230 37.738 38.000 -0.054 0.000 1.079 649 I HN 0.147 nan 8.210 nan 0.000 0.431 650 Q N 0.985 120.779 119.800 -0.010 0.000 2.019 650 Q HA -0.073 4.263 4.340 -0.007 0.000 0.195 650 Q C 2.136 178.074 176.000 -0.103 0.000 0.981 650 Q CA 0.698 56.490 55.803 -0.019 0.000 0.832 650 Q CB -0.047 28.709 28.738 0.030 0.000 0.902 650 Q HN 0.234 nan 8.270 nan 0.000 0.461 651 K N -0.131 120.186 120.400 -0.138 0.000 2.229 651 K HA -0.282 4.033 4.320 -0.007 0.000 0.211 651 K C 1.887 178.216 176.600 -0.452 0.000 1.044 651 K CA 2.046 58.133 56.287 -0.333 0.000 0.935 651 K CB -0.259 32.096 32.500 -0.243 0.000 0.732 651 K HN 0.115 nan 8.250 nan 0.000 0.478 652 V N -0.455 119.309 119.914 -0.250 0.000 2.436 652 V HA -0.133 3.982 4.120 -0.007 0.000 0.240 652 V C 2.145 178.213 176.094 -0.043 0.000 1.040 652 V CA 1.216 63.393 62.300 -0.205 0.000 1.052 652 V CB -0.385 31.347 31.823 -0.153 0.000 0.707 652 V HN 0.030 nan 8.190 nan 0.000 0.469 653 V N 0.639 120.525 119.914 -0.045 0.000 2.469 653 V HA -0.233 3.883 4.120 -0.007 0.000 0.251 653 V C 2.341 178.504 176.094 0.116 0.000 1.064 653 V CA 2.168 64.484 62.300 0.026 0.000 1.066 653 V CB -1.168 30.645 31.823 -0.017 0.000 0.667 653 V HN 0.510 nan 8.190 nan 0.000 0.461 654 N N -0.147 118.557 118.700 0.007 0.000 2.244 654 N HA -0.121 4.615 4.740 -0.007 0.000 0.183 654 N C 1.663 177.159 175.510 -0.022 0.000 1.016 654 N CA 1.601 54.638 53.050 -0.022 0.000 0.866 654 N CB -0.243 38.177 38.487 -0.111 0.000 0.980 654 N HN 0.637 nan 8.380 nan 0.000 0.430 655 F N -0.464 119.373 119.950 -0.187 0.000 2.118 655 F HA -0.103 4.419 4.527 -0.007 0.000 0.293 655 F C 2.302 178.129 175.800 0.045 0.000 1.102 655 F CA 0.917 58.819 58.000 -0.162 0.000 1.247 655 F CB -0.553 38.236 39.000 -0.350 0.000 1.017 655 F HN 0.050 nan 8.300 nan 0.000 0.475 656 W N 1.234 122.702 121.300 0.280 0.000 2.290 656 W HA -0.317 4.339 4.660 -0.007 0.000 0.311 656 W C 1.983 178.555 176.519 0.090 0.000 1.238 656 W CA 2.457 59.950 57.345 0.246 0.000 1.255 656 W CB -0.685 28.840 29.460 0.108 0.000 1.145 656 W HN 0.265 nan 8.180 nan 0.000 0.506 657 L N 0.363 121.680 121.223 0.157 0.000 2.013 657 L HA -0.034 4.302 4.340 -0.007 0.000 0.204 657 L C 2.514 179.262 176.870 -0.204 0.000 1.081 657 L CA 2.216 57.050 54.840 -0.010 0.000 0.751 657 L CB -1.971 40.214 42.059 0.210 0.000 0.901 657 L HN 0.172 nan 8.230 nan 0.000 0.440 658 L N 0.543 121.648 121.223 -0.197 0.000 2.056 658 L HA -0.377 3.959 4.340 -0.007 0.000 0.237 658 L C 2.574 179.219 176.870 -0.376 0.000 1.106 658 L CA 2.542 57.188 54.840 -0.324 0.000 0.829 658 L CB -1.828 39.922 42.059 -0.517 0.000 0.924 658 L HN 0.535 nan 8.230 nan 0.000 0.447 659 H N -0.770 118.044 119.070 -0.428 0.000 2.492 659 H HA -0.165 4.387 4.556 -0.007 0.000 0.296 659 H C 2.195 177.291 175.328 -0.386 0.000 1.095 659 H CA 1.639 57.455 56.048 -0.387 0.000 1.281 659 H CB -0.492 29.026 29.762 -0.405 0.000 1.374 659 H HN 0.708 nan 8.280 nan 0.000 0.545 660 N N -0.320 118.125 118.700 -0.424 0.000 2.333 660 N HA 0.057 4.793 4.740 -0.007 0.000 0.183 660 N C 0.896 176.290 175.510 -0.193 0.000 1.030 660 N CA 0.917 53.703 53.050 -0.440 0.000 0.867 660 N CB 0.838 38.796 38.487 -0.881 0.000 1.027 660 N HN 0.350 nan 8.380 nan 0.000 0.435 661 G N -0.332 108.383 108.800 -0.142 0.000 2.615 661 G HA2 -0.105 3.851 3.960 -0.007 0.000 0.218 661 G HA3 -0.105 3.851 3.960 -0.007 0.000 0.218 661 G C -0.862 174.157 174.900 0.199 0.000 1.339 661 G CA -0.128 44.978 45.100 0.011 0.000 0.884 661 G HN 0.630 nan 8.290 nan 0.000 0.559 662 F N -0.690 119.238 119.950 -0.037 0.000 2.745 662 F HA 0.555 5.078 4.527 -0.007 0.000 0.321 662 F C -0.193 175.601 175.800 -0.010 0.000 1.092 662 F CA 0.668 58.664 58.000 -0.008 0.000 0.930 662 F CB 0.745 39.751 39.000 0.011 0.000 1.309 662 F HN 1.983 nan 8.300 nan 0.000 0.483 663 S N 2.137 117.316 115.700 -0.868 0.000 2.806 663 S HA 0.894 5.360 4.470 -0.007 0.000 0.294 663 S C -1.669 172.592 174.600 -0.566 0.000 1.239 663 S CA 0.291 58.143 58.200 -0.580 0.000 1.052 663 S CB 1.498 64.556 63.200 -0.238 0.000 1.332 663 S HN 1.207 nan 8.310 nan 0.000 0.516 664 T N 0.284 114.671 114.554 -0.278 0.000 3.401 664 T HA 0.582 4.928 4.350 -0.007 0.000 0.405 664 T C -0.534 174.100 174.700 -0.110 0.000 1.688 664 T CA -0.164 61.829 62.100 -0.179 0.000 1.143 664 T CB 0.892 69.665 68.868 -0.159 0.000 1.526 664 T HN 1.114 nan 8.240 nan 0.000 0.472 665 G N 0.528 109.293 108.800 -0.059 0.000 2.600 665 G HA2 0.644 4.600 3.960 -0.007 0.000 0.303 665 G HA3 0.644 4.600 3.960 -0.007 0.000 0.303 665 G C 0.541 175.428 174.900 -0.022 0.000 1.253 665 G CA -0.964 44.114 45.100 -0.037 0.000 0.974 665 G HN 0.640 nan 8.290 nan 0.000 0.483 666 I N 1.112 121.673 120.570 -0.016 0.000 2.761 666 I HA 0.080 4.246 4.170 -0.007 0.000 0.261 666 I C 2.774 178.891 176.117 0.000 0.000 1.198 666 I CA 1.087 62.382 61.300 -0.007 0.000 1.482 666 I CB -0.661 37.338 38.000 -0.002 0.000 1.100 666 I HN 0.598 nan 8.210 nan 0.000 0.445 667 G N 1.330 110.129 108.800 -0.001 0.000 2.908 667 G HA2 -0.398 3.558 3.960 -0.007 0.000 0.218 667 G HA3 -0.398 3.558 3.960 -0.007 0.000 0.218 667 G C 1.250 176.158 174.900 0.013 0.000 1.311 667 G CA 1.510 46.614 45.100 0.007 0.000 0.787 667 G HN 0.359 nan 8.290 nan 0.000 0.700 668 D N 0.004 120.414 120.400 0.016 0.000 4.341 668 D HA -0.215 4.420 4.640 -0.007 0.000 0.200 668 D C 2.403 178.718 176.300 0.025 0.000 1.354 668 D CA 1.957 55.972 54.000 0.025 0.000 1.011 668 D CB -0.376 40.434 40.800 0.017 0.000 0.817 668 D HN 0.607 nan 8.370 nan 0.000 0.546 669 T N -3.387 111.179 114.554 0.019 0.000 2.978 669 T HA 0.111 4.457 4.350 -0.007 0.000 0.248 669 T C 0.998 175.712 174.700 0.024 0.000 1.018 669 T CA -0.583 61.532 62.100 0.024 0.000 1.026 669 T CB 0.481 69.363 68.868 0.024 0.000 1.032 669 T HN -0.084 nan 8.240 nan 0.000 0.485 670 I N 3.783 124.365 120.570 0.021 0.000 2.978 670 I HA 0.274 4.439 4.170 -0.007 0.000 0.293 670 I C 0.906 177.037 176.117 0.024 0.000 1.218 670 I CA -0.196 61.117 61.300 0.020 0.000 1.393 670 I CB -1.364 36.647 38.000 0.017 0.000 1.394 670 I HN 0.493 nan 8.210 nan 0.000 0.541 671 A N 6.276 129.110 122.820 0.024 0.000 2.464 671 A HA 0.426 4.742 4.320 -0.007 0.000 0.268 671 A C -0.138 177.460 177.584 0.024 0.000 1.244 671 A CA -0.693 51.359 52.037 0.026 0.000 0.871 671 A CB 0.454 19.473 19.000 0.032 0.000 1.400 671 A HN 0.561 nan 8.150 nan 0.000 0.455 672 D N 0.196 120.611 120.400 0.026 0.000 2.877 672 D HA 0.054 4.690 4.640 -0.007 0.000 0.220 672 D C 1.649 177.962 176.300 0.021 0.000 1.089 672 D CA 1.366 55.380 54.000 0.023 0.000 0.811 672 D CB 0.688 41.502 40.800 0.023 0.000 1.162 672 D HN 0.628 nan 8.370 nan 0.000 0.513 673 G N 5.044 113.855 108.800 0.018 0.000 2.599 673 G HA2 -0.229 3.727 3.960 -0.007 0.000 0.219 673 G HA3 -0.229 3.727 3.960 -0.007 0.000 0.219 673 G C -0.798 174.112 174.900 0.018 0.000 1.193 673 G CA 0.740 45.850 45.100 0.017 0.000 0.778 673 G HN 0.590 nan 8.290 nan 0.000 0.589 674 P HA 0.115 nan 4.420 nan 0.000 0.256 674 P C 0.698 178.010 177.300 0.020 0.000 1.335 674 P CA 0.876 63.986 63.100 0.018 0.000 0.808 674 P CB 0.234 31.944 31.700 0.017 0.000 1.305 675 T N -1.108 113.459 114.554 0.022 0.000 3.033 675 T HA 0.094 4.440 4.350 -0.007 0.000 0.248 675 T C 1.859 176.574 174.700 0.026 0.000 1.040 675 T CA 0.473 62.589 62.100 0.026 0.000 1.133 675 T CB -0.235 68.651 68.868 0.030 0.000 0.895 675 T HN -0.056 nan 8.240 nan 0.000 0.465 676 M N 1.396 121.010 119.600 0.023 0.000 2.108 676 M HA 0.015 4.491 4.480 -0.007 0.000 0.261 676 M C 2.260 178.573 176.300 0.022 0.000 1.066 676 M CA 1.447 56.760 55.300 0.021 0.000 1.107 676 M CB -1.021 31.590 32.600 0.018 0.000 1.356 676 M HN 0.108 nan 8.290 nan 0.000 0.406 677 R N 0.146 120.658 120.500 0.021 0.000 2.120 677 R HA -0.125 4.211 4.340 -0.007 0.000 0.234 677 R C 2.000 178.313 176.300 0.023 0.000 1.123 677 R CA 1.254 57.367 56.100 0.021 0.000 0.975 677 R CB -0.013 30.298 30.300 0.019 0.000 0.866 677 R HN 0.439 nan 8.270 nan 0.000 0.446 678 E N -0.296 119.918 120.200 0.024 0.000 2.285 678 E HA -0.085 4.261 4.350 -0.007 0.000 0.194 678 E C 1.627 178.245 176.600 0.030 0.000 0.997 678 E CA 0.617 57.032 56.400 0.025 0.000 0.845 678 E CB 0.157 29.873 29.700 0.025 0.000 0.782 678 E HN 0.362 nan 8.360 nan 0.000 0.491 679 I N 0.071 120.659 120.570 0.032 0.000 2.353 679 I HA -0.201 3.965 4.170 -0.007 0.000 0.248 679 I C 2.365 178.506 176.117 0.039 0.000 1.119 679 I CA 0.811 62.133 61.300 0.037 0.000 1.417 679 I CB -0.082 37.938 38.000 0.033 0.000 1.078 679 I HN 0.090 nan 8.210 nan 0.000 0.421 680 T N 0.699 115.273 114.554 0.034 0.000 2.737 680 T HA -0.189 4.157 4.350 -0.007 0.000 0.265 680 T C 1.824 176.551 174.700 0.045 0.000 1.038 680 T CA 1.798 63.921 62.100 0.038 0.000 1.144 680 T CB -0.152 68.736 68.868 0.033 0.000 0.866 680 T HN 0.555 nan 8.240 nan 0.000 0.434 681 E N 0.140 120.362 120.200 0.036 0.000 2.072 681 E HA -0.155 4.191 4.350 -0.007 0.000 0.191 681 E C 2.183 178.804 176.600 0.035 0.000 0.985 681 E CA 1.556 57.976 56.400 0.033 0.000 0.801 681 E CB -0.905 28.809 29.700 0.024 0.000 0.750 681 E HN 0.250 nan 8.360 nan 0.000 0.452 682 T N 1.292 115.866 114.554 0.035 0.000 2.668 682 T HA -0.201 4.145 4.350 -0.007 0.000 0.265 682 T C 1.806 176.536 174.700 0.050 0.000 1.041 682 T CA 1.944 64.066 62.100 0.036 0.000 1.160 682 T CB -0.189 68.704 68.868 0.042 0.000 0.857 682 T HN 0.195 nan 8.240 nan 0.000 0.455 683 I N 0.955 121.572 120.570 0.079 0.000 2.202 683 I HA -0.119 4.047 4.170 -0.007 0.000 0.242 683 I C 2.937 179.105 176.117 0.085 0.000 1.091 683 I CA 1.361 62.736 61.300 0.124 0.000 1.368 683 I CB -1.621 36.483 38.000 0.174 0.000 1.058 683 I HN 0.239 nan 8.210 nan 0.000 0.410 684 A N 1.334 124.196 122.820 0.071 0.000 1.958 684 A HA -0.254 4.062 4.320 -0.007 0.000 0.221 684 A C 2.224 179.824 177.584 0.026 0.000 1.178 684 A CA 2.225 54.293 52.037 0.052 0.000 0.642 684 A CB -0.662 18.366 19.000 0.046 0.000 0.816 684 A HN 0.683 nan 8.150 nan 0.000 0.453 685 E N -0.062 120.143 120.200 0.008 0.000 2.033 685 E HA -0.025 4.320 4.350 -0.007 0.000 0.189 685 E C 2.064 178.642 176.600 -0.037 0.000 0.979 685 E CA 1.108 57.496 56.400 -0.020 0.000 0.802 685 E CB -0.835 28.846 29.700 -0.032 0.000 0.763 685 E HN 0.475 nan 8.360 nan 0.000 0.449 686 A N 1.847 124.644 122.820 -0.039 0.000 2.139 686 A HA -0.191 4.124 4.320 -0.007 0.000 0.221 686 A C 2.120 179.690 177.584 -0.024 0.000 1.159 686 A CA 1.496 53.498 52.037 -0.060 0.000 0.662 686 A CB -0.462 18.506 19.000 -0.053 0.000 0.796 686 A HN 0.172 nan 8.150 nan 0.000 0.463 687 K N 0.100 120.500 120.400 -0.000 0.000 1.967 687 K HA -0.126 4.190 4.320 -0.007 0.000 0.212 687 K C 1.925 178.541 176.600 0.027 0.000 1.044 687 K CA 1.439 57.735 56.287 0.016 0.000 0.942 687 K CB -0.328 32.201 32.500 0.049 0.000 0.726 687 K HN 0.477 nan 8.250 nan 0.000 0.440 688 K N 1.524 121.938 120.400 0.024 0.000 1.998 688 K HA -0.255 4.061 4.320 -0.007 0.000 0.228 688 K C 2.060 178.675 176.600 0.026 0.000 1.053 688 K CA 2.034 58.335 56.287 0.023 0.000 0.988 688 K CB -0.575 31.929 32.500 0.008 0.000 0.735 688 K HN 0.166 nan 8.250 nan 0.000 0.448 689 K N 0.788 121.174 120.400 -0.024 0.000 2.097 689 K HA -0.218 4.098 4.320 -0.007 0.000 0.214 689 K C 2.274 179.011 176.600 0.227 0.000 1.052 689 K CA 2.141 58.442 56.287 0.023 0.000 0.932 689 K CB -0.648 31.657 32.500 -0.325 0.000 0.716 689 K HN 0.011 nan 8.250 nan 0.000 0.455 690 V N 1.665 121.693 119.914 0.190 0.000 2.222 690 V HA -0.268 3.847 4.120 -0.007 0.000 0.240 690 V C 2.093 178.252 176.094 0.108 0.000 1.040 690 V CA 1.463 63.834 62.300 0.118 0.000 0.988 690 V CB -0.710 31.115 31.823 0.002 0.000 0.633 690 V HN 0.282 nan 8.190 nan 0.000 0.452 691 L N 0.523 121.801 121.223 0.092 0.000 2.553 691 L HA -0.416 3.920 4.340 -0.007 0.000 0.245 691 L C 2.230 179.166 176.870 0.110 0.000 1.547 691 L CA 2.888 57.787 54.840 0.097 0.000 0.787 691 L CB -1.889 40.213 42.059 0.072 0.000 1.226 691 L HN 0.548 nan 8.230 nan 0.000 0.399 692 D N -0.945 119.513 120.400 0.095 0.000 2.268 692 D HA -0.225 4.411 4.640 -0.007 0.000 0.189 692 D C 2.161 178.534 176.300 0.121 0.000 1.010 692 D CA 2.075 56.132 54.000 0.095 0.000 0.862 692 D CB -0.662 40.186 40.800 0.081 0.000 0.943 692 D HN 0.385 nan 8.370 nan 0.000 0.451 693 V N 0.996 121.005 119.914 0.158 0.000 2.255 693 V HA -0.281 3.835 4.120 -0.007 0.000 0.247 693 V C 2.559 178.781 176.094 0.214 0.000 1.051 693 V CA 2.279 64.670 62.300 0.151 0.000 1.018 693 V CB -0.904 30.947 31.823 0.046 0.000 0.641 693 V HN 0.270 nan 8.190 nan 0.000 0.445 694 T N -0.439 114.296 114.554 0.302 0.000 2.536 694 T HA -0.367 3.979 4.350 -0.007 0.000 0.263 694 T C 1.900 176.655 174.700 0.091 0.000 1.115 694 T CA 2.336 64.626 62.100 0.317 0.000 1.180 694 T CB -0.338 68.694 68.868 0.273 0.000 0.864 694 T HN 0.355 nan 8.240 nan 0.000 0.419 695 K N 0.627 121.073 120.400 0.077 0.000 2.013 695 K HA -0.269 4.047 4.320 -0.007 0.000 0.225 695 K C 2.270 178.891 176.600 0.034 0.000 1.056 695 K CA 2.287 58.598 56.287 0.040 0.000 0.971 695 K CB -0.368 32.159 32.500 0.045 0.000 0.731 695 K HN 0.428 nan 8.250 nan 0.000 0.450 696 E N -0.548 119.685 120.200 0.055 0.000 2.132 696 E HA -0.333 4.013 4.350 -0.007 0.000 0.218 696 E C 1.651 178.266 176.600 0.026 0.000 1.058 696 E CA 2.165 58.592 56.400 0.045 0.000 0.882 696 E CB -0.356 29.386 29.700 0.068 0.000 0.774 696 E HN 0.457 nan 8.360 nan 0.000 0.467 697 A N -0.330 122.511 122.820 0.035 0.000 2.178 697 A HA -0.178 4.138 4.320 -0.007 0.000 0.218 697 A C 1.909 179.446 177.584 -0.078 0.000 1.157 697 A CA 1.477 53.502 52.037 -0.020 0.000 0.689 697 A CB -0.284 18.673 19.000 -0.070 0.000 0.787 697 A HN 0.387 nan 8.150 nan 0.000 0.465 698 Q N -1.497 118.263 119.800 -0.067 0.000 2.392 698 Q HA 0.301 4.636 4.340 -0.007 0.000 0.203 698 Q C 1.313 177.276 176.000 -0.061 0.000 0.917 698 Q CA 0.471 56.218 55.803 -0.093 0.000 0.939 698 Q CB 0.160 28.851 28.738 -0.079 0.000 1.063 698 Q HN 0.603 nan 8.270 nan 0.000 0.516 699 A N 0.103 122.901 122.820 -0.037 0.000 2.507 699 A HA 0.155 4.471 4.320 -0.007 0.000 0.270 699 A C 0.419 177.990 177.584 -0.021 0.000 1.318 699 A CA -0.084 51.938 52.037 -0.023 0.000 0.924 699 A CB 0.098 19.092 19.000 -0.010 0.000 1.061 699 A HN 0.348 nan 8.150 nan 0.000 0.516 700 N N -1.024 117.658 118.700 -0.031 0.000 2.927 700 N HA -0.242 4.494 4.740 -0.007 0.000 0.220 700 N C 1.143 176.645 175.510 -0.014 0.000 0.845 700 N CA 1.678 54.712 53.050 -0.026 0.000 1.089 700 N CB -1.437 37.035 38.487 -0.025 0.000 0.994 700 N HN 0.425 nan 8.380 nan 0.000 0.616 701 L N 0.320 121.539 121.223 -0.006 0.000 1.978 701 L HA -0.220 4.116 4.340 -0.007 0.000 0.235 701 L C 1.532 178.408 176.870 0.011 0.000 1.094 701 L CA 1.371 56.213 54.840 0.004 0.000 0.814 701 L CB -0.950 41.115 42.059 0.010 0.000 0.911 701 L HN 0.345 nan 8.230 nan 0.000 0.442 702 L N 1.257 122.492 121.223 0.019 0.000 2.811 702 L HA -0.137 4.199 4.340 -0.007 0.000 0.304 702 L C -0.175 176.704 176.870 0.016 0.000 1.227 702 L CA 1.084 55.941 54.840 0.028 0.000 0.880 702 L CB -0.102 41.980 42.059 0.038 0.000 1.169 702 L HN 0.420 nan 8.230 nan 0.000 0.498 703 T N 4.551 119.116 114.554 0.020 0.000 2.794 703 T HA 0.609 4.955 4.350 -0.007 0.000 0.280 703 T C 0.202 174.912 174.700 0.015 0.000 0.987 703 T CA -0.539 61.570 62.100 0.016 0.000 0.993 703 T CB 1.653 70.533 68.868 0.020 0.000 0.939 703 T HN 0.756 nan 8.240 nan 0.000 0.449 704 A N 3.335 126.161 122.820 0.009 0.000 2.304 704 A HA 0.544 4.860 4.320 -0.007 0.000 0.301 704 A C 0.194 177.786 177.584 0.014 0.000 1.132 704 A CA -0.928 51.113 52.037 0.006 0.000 0.819 704 A CB 0.439 19.434 19.000 -0.008 0.000 1.094 704 A HN 0.764 nan 8.150 nan 0.000 0.492 705 K N 2.382 122.787 120.400 0.008 0.000 2.338 705 K HA 0.082 4.398 4.320 -0.007 0.000 0.290 705 K C -0.320 176.286 176.600 0.010 0.000 1.069 705 K CA -0.250 56.050 56.287 0.021 0.000 0.941 705 K CB 0.283 32.791 32.500 0.014 0.000 1.023 705 K HN 0.858 nan 8.250 nan 0.000 0.477 706 H N 1.819 120.885 119.070 -0.006 0.000 3.212 706 H HA -0.111 4.440 4.556 -0.007 0.000 0.292 706 H C 1.010 176.332 175.328 -0.010 0.000 0.922 706 H CA 1.988 58.028 56.048 -0.014 0.000 1.389 706 H CB 0.044 29.790 29.762 -0.027 0.000 1.321 706 H HN 0.924 nan 8.280 nan 0.000 0.563 707 G N 4.712 113.158 108.800 -0.589 0.000 2.359 707 G HA2 -0.177 3.779 3.960 -0.007 0.000 0.298 707 G HA3 -0.177 3.779 3.960 -0.007 0.000 0.298 707 G C -0.343 174.454 174.900 -0.172 0.000 1.030 707 G CA 0.552 45.416 45.100 -0.394 0.000 1.149 707 G HN 0.916 nan 8.290 nan 0.000 0.512 708 M N -2.001 117.524 119.600 -0.125 0.000 2.755 708 M HA 0.464 4.940 4.480 -0.007 0.000 0.276 708 M C -0.178 176.092 176.300 -0.050 0.000 1.129 708 M CA -1.082 54.176 55.300 -0.069 0.000 0.832 708 M CB 0.479 33.054 32.600 -0.041 0.000 1.700 708 M HN 0.001 nan 8.290 nan 0.000 0.518 709 T N 2.198 116.733 114.554 -0.032 0.000 2.902 709 T HA 0.249 4.595 4.350 -0.007 0.000 0.301 709 T C 1.191 175.884 174.700 -0.012 0.000 1.012 709 T CA -0.312 61.775 62.100 -0.022 0.000 1.151 709 T CB 0.201 69.063 68.868 -0.009 0.000 0.946 709 T HN 0.563 nan 8.240 nan 0.000 0.542 710 L N 2.352 123.565 121.223 -0.016 0.000 2.651 710 L HA -0.007 4.329 4.340 -0.007 0.000 0.236 710 L C 2.425 179.299 176.870 0.007 0.000 1.173 710 L CA 1.399 56.236 54.840 -0.005 0.000 0.843 710 L CB -0.870 41.178 42.059 -0.018 0.000 0.964 710 L HN 0.545 nan 8.230 nan 0.000 0.454 711 R N -0.064 120.438 120.500 0.002 0.000 2.237 711 R HA 0.025 4.361 4.340 -0.007 0.000 0.195 711 R C 1.766 178.111 176.300 0.074 0.000 0.956 711 R CA 0.227 56.332 56.100 0.008 0.000 1.029 711 R CB 0.262 30.546 30.300 -0.028 0.000 0.972 711 R HN 0.443 nan 8.270 nan 0.000 0.493 712 E N -0.153 120.071 120.200 0.041 0.000 2.268 712 E HA -0.085 4.261 4.350 -0.007 0.000 0.195 712 E C 1.360 177.977 176.600 0.029 0.000 0.995 712 E CA 1.400 57.822 56.400 0.036 0.000 0.836 712 E CB 0.289 29.993 29.700 0.008 0.000 0.763 712 E HN 0.297 nan 8.360 nan 0.000 0.491 713 S N 0.079 115.801 115.700 0.036 0.000 2.486 713 S HA -0.014 4.452 4.470 -0.007 0.000 0.220 713 S C 1.578 176.168 174.600 -0.016 0.000 1.011 713 S CA -0.235 57.965 58.200 0.000 0.000 0.921 713 S CB -0.147 63.056 63.200 0.006 0.000 0.785 713 S HN 0.254 nan 8.310 nan 0.000 0.517 714 F N 2.932 122.821 119.950 -0.102 0.000 2.146 714 F HA 0.031 4.554 4.527 -0.007 0.000 0.298 714 F C 2.239 177.951 175.800 -0.147 0.000 1.096 714 F CA 1.337 59.258 58.000 -0.132 0.000 1.275 714 F CB -0.130 38.800 39.000 -0.117 0.000 1.008 714 F HN 0.039 nan 8.300 nan 0.000 0.480 715 E N 0.376 120.610 120.200 0.055 0.000 2.005 715 E HA -0.217 4.129 4.350 -0.007 0.000 0.191 715 E C 1.919 178.393 176.600 -0.209 0.000 0.987 715 E CA 1.471 57.840 56.400 -0.052 0.000 0.814 715 E CB -0.916 28.837 29.700 0.088 0.000 0.772 715 E HN 0.405 nan 8.360 nan 0.000 0.453 716 D N 0.690 121.018 120.400 -0.120 0.000 2.191 716 D HA -0.218 4.418 4.640 -0.007 0.000 0.190 716 D C 1.640 177.765 176.300 -0.292 0.000 1.007 716 D CA 1.703 55.609 54.000 -0.156 0.000 0.865 716 D CB -0.011 40.736 40.800 -0.088 0.000 0.929 716 D HN 0.044 nan 8.370 nan 0.000 0.447 717 N N -0.393 118.054 118.700 -0.422 0.000 2.043 717 N HA -0.140 4.596 4.740 -0.007 0.000 0.193 717 N C 2.066 176.981 175.510 -0.991 0.000 1.037 717 N CA 1.431 54.048 53.050 -0.722 0.000 0.851 717 N CB -0.693 37.213 38.487 -0.969 0.000 1.027 717 N HN 0.191 nan 8.380 nan 0.000 0.422 718 V N 1.451 120.795 119.914 -0.950 0.000 2.255 718 V HA -0.204 3.911 4.120 -0.007 0.000 0.247 718 V C 2.522 178.363 176.094 -0.421 0.000 1.051 718 V CA 1.502 63.338 62.300 -0.773 0.000 1.018 718 V CB -0.965 30.410 31.823 -0.747 0.000 0.641 718 V HN 0.078 nan 8.190 nan 0.000 0.445 719 V N -0.221 119.496 119.914 -0.328 0.000 2.527 719 V HA -0.325 3.791 4.120 -0.007 0.000 0.255 719 V C 2.483 178.504 176.094 -0.122 0.000 1.081 719 V CA 2.382 64.570 62.300 -0.188 0.000 1.092 719 V CB -1.058 30.685 31.823 -0.134 0.000 0.673 719 V HN 0.444 nan 8.190 nan 0.000 0.470 720 R N -0.999 119.412 120.500 -0.149 0.000 2.100 720 R HA 0.140 4.476 4.340 -0.007 0.000 0.220 720 R C 2.207 178.573 176.300 0.109 0.000 1.091 720 R CA 0.861 56.953 56.100 -0.014 0.000 0.986 720 R CB -0.166 30.160 30.300 0.043 0.000 0.888 720 R HN 0.510 nan 8.270 nan 0.000 0.444 721 F N -0.098 119.767 119.950 -0.142 0.000 2.365 721 F HA -0.139 4.384 4.527 -0.007 0.000 0.300 721 F C 1.096 176.809 175.800 -0.146 0.000 1.090 721 F CA 0.149 58.068 58.000 -0.135 0.000 1.408 721 F CB 0.330 39.232 39.000 -0.163 0.000 1.060 721 F HN 0.050 nan 8.300 nan 0.000 0.534 722 L N -1.452 119.763 121.223 -0.013 0.000 2.575 722 L HA 0.060 4.396 4.340 -0.007 0.000 0.228 722 L C 1.641 178.528 176.870 0.028 0.000 1.075 722 L CA 0.424 55.174 54.840 -0.150 0.000 0.867 722 L CB -1.010 40.667 42.059 -0.637 0.000 1.097 722 L HN -0.124 nan 8.230 nan 0.000 0.485 723 N N 0.823 119.548 118.700 0.041 0.000 2.080 723 N HA -0.162 4.574 4.740 -0.007 0.000 0.189 723 N C 1.701 177.276 175.510 0.109 0.000 1.036 723 N CA 1.337 54.445 53.050 0.096 0.000 0.846 723 N CB -0.086 38.443 38.487 0.070 0.000 1.015 723 N HN 0.422 nan 8.380 nan 0.000 0.423 724 E N 1.003 121.256 120.200 0.087 0.000 2.086 724 E HA -0.210 4.136 4.350 -0.007 0.000 0.200 724 E C 1.974 178.626 176.600 0.088 0.000 1.012 724 E CA 1.514 57.962 56.400 0.079 0.000 0.812 724 E CB -0.219 29.516 29.700 0.059 0.000 0.743 724 E HN 0.374 nan 8.360 nan 0.000 0.453 725 A N 1.691 124.562 122.820 0.085 0.000 1.927 725 A HA -0.318 3.998 4.320 -0.007 0.000 0.220 725 A C 2.137 179.819 177.584 0.164 0.000 1.185 725 A CA 2.174 54.281 52.037 0.116 0.000 0.639 725 A CB -0.761 18.319 19.000 0.133 0.000 0.820 725 A HN 0.272 nan 8.150 nan 0.000 0.451 726 R N -0.342 120.282 120.500 0.206 0.000 2.105 726 R HA -0.204 4.132 4.340 -0.007 0.000 0.239 726 R C 1.294 177.680 176.300 0.144 0.000 1.135 726 R CA 2.153 58.351 56.100 0.164 0.000 0.967 726 R CB -0.550 29.836 30.300 0.143 0.000 0.861 726 R HN 0.399 nan 8.270 nan 0.000 0.442 727 D N -0.043 120.458 120.400 0.170 0.000 2.183 727 D HA -0.124 4.512 4.640 -0.007 0.000 0.203 727 D C 1.739 178.198 176.300 0.266 0.000 0.969 727 D CA 1.490 55.631 54.000 0.235 0.000 0.842 727 D CB 0.096 41.011 40.800 0.192 0.000 0.957 727 D HN 0.436 nan 8.370 nan 0.000 0.484 728 K N 0.333 120.832 120.400 0.164 0.000 2.099 728 K HA 0.152 4.468 4.320 -0.007 0.000 0.203 728 K C 1.944 178.625 176.600 0.135 0.000 1.047 728 K CA 0.992 57.351 56.287 0.122 0.000 0.963 728 K CB -0.101 32.442 32.500 0.071 0.000 0.759 728 K HN -0.030 nan 8.250 nan 0.000 0.451 729 A N 1.480 124.373 122.820 0.122 0.000 1.851 729 A HA -0.004 4.311 4.320 -0.007 0.000 0.216 729 A C 2.328 179.992 177.584 0.134 0.000 1.195 729 A CA 1.956 54.052 52.037 0.099 0.000 0.622 729 A CB -1.867 17.178 19.000 0.075 0.000 0.831 729 A HN 0.553 nan 8.150 nan 0.000 0.444 730 G N -0.018 108.870 108.800 0.147 0.000 3.289 730 G HA2 -0.439 3.517 3.960 -0.007 0.000 0.242 730 G HA3 -0.439 3.517 3.960 -0.007 0.000 0.242 730 G C 1.520 176.719 174.900 0.498 0.000 1.044 730 G CA 1.841 47.090 45.100 0.248 0.000 0.747 730 G HN 0.633 nan 8.290 nan 0.000 1.087 731 R N -0.176 120.674 120.500 0.582 0.000 2.174 731 R HA -0.079 4.257 4.340 -0.007 0.000 0.253 731 R C 2.747 179.137 176.300 0.150 0.000 1.165 731 R CA 1.362 57.588 56.100 0.210 0.000 0.984 731 R CB -0.601 29.695 30.300 -0.008 0.000 0.873 731 R HN 0.408 nan 8.270 nan 0.000 0.456 732 L N -0.159 121.145 121.223 0.134 0.000 2.261 732 L HA -0.206 4.129 4.340 -0.007 0.000 0.216 732 L C 2.283 179.206 176.870 0.089 0.000 1.114 732 L CA 1.281 56.172 54.840 0.085 0.000 0.777 732 L CB -0.146 41.957 42.059 0.072 0.000 0.910 732 L HN 0.300 nan 8.230 nan 0.000 0.440 733 A N -1.254 121.643 122.820 0.127 0.000 1.942 733 A HA -0.097 4.219 4.320 -0.007 0.000 0.209 733 A C 2.001 179.663 177.584 0.131 0.000 1.214 733 A CA 0.670 52.772 52.037 0.108 0.000 0.686 733 A CB -0.291 18.758 19.000 0.083 0.000 0.871 733 A HN 0.330 nan 8.150 nan 0.000 0.460 734 E N 0.562 120.892 120.200 0.218 0.000 2.245 734 E HA -0.283 4.062 4.350 -0.007 0.000 0.217 734 E C 1.739 178.395 176.600 0.093 0.000 1.069 734 E CA 2.777 59.283 56.400 0.178 0.000 0.877 734 E CB -0.508 29.308 29.700 0.194 0.000 0.757 734 E HN 0.456 nan 8.360 nan 0.000 0.464 735 V N 0.360 120.320 119.914 0.076 0.000 2.307 735 V HA -0.292 3.824 4.120 -0.007 0.000 0.245 735 V C 1.898 178.020 176.094 0.047 0.000 1.045 735 V CA 2.233 64.563 62.300 0.050 0.000 1.024 735 V CB -1.226 30.616 31.823 0.033 0.000 0.651 735 V HN 0.351 nan 8.190 nan 0.000 0.449 736 N N 2.469 121.197 118.700 0.046 0.000 2.048 736 N HA -0.014 4.722 4.740 -0.007 0.000 0.193 736 N C 0.551 176.087 175.510 0.043 0.000 1.061 736 N CA 0.874 53.947 53.050 0.040 0.000 0.849 736 N CB -0.655 37.853 38.487 0.035 0.000 1.044 736 N HN 0.436 nan 8.380 nan 0.000 0.429 737 L N 2.829 124.080 121.223 0.046 0.000 4.236 737 L HA -0.213 4.123 4.340 -0.007 0.000 0.510 737 L C 0.467 177.365 176.870 0.046 0.000 0.886 737 L CA 0.323 55.193 54.840 0.050 0.000 0.630 737 L CB -1.127 40.969 42.059 0.060 0.000 0.951 737 L HN 0.334 nan 8.230 nan 0.000 0.983 738 K N 2.185 122.610 120.400 0.042 0.000 2.332 738 K HA 0.138 4.454 4.320 -0.007 0.000 0.246 738 K C 0.389 177.013 176.600 0.040 0.000 1.066 738 K CA -0.701 55.608 56.287 0.037 0.000 0.898 738 K CB 0.594 33.115 32.500 0.034 0.000 1.192 738 K HN 0.271 nan 8.250 nan 0.000 0.509 739 D N -0.147 120.274 120.400 0.034 0.000 2.317 739 D HA 0.002 4.637 4.640 -0.007 0.000 0.211 739 D C 1.227 177.549 176.300 0.038 0.000 0.966 739 D CA 0.576 54.594 54.000 0.030 0.000 0.876 739 D CB -0.026 40.785 40.800 0.019 0.000 0.927 739 D HN 0.464 nan 8.370 nan 0.000 0.519 740 L N -1.514 119.738 121.223 0.049 0.000 2.741 740 L HA 0.382 4.718 4.340 -0.007 0.000 0.237 740 L C 0.215 177.139 176.870 0.089 0.000 1.178 740 L CA -0.524 54.357 54.840 0.068 0.000 0.973 740 L CB -0.501 41.595 42.059 0.061 0.000 1.255 740 L HN -0.267 nan 8.230 nan 0.000 0.498 741 N N 1.157 119.906 118.700 0.081 0.000 2.401 741 N HA 0.102 4.838 4.740 -0.007 0.000 0.255 741 N C 0.761 176.343 175.510 0.120 0.000 1.110 741 N CA -0.209 52.891 53.050 0.083 0.000 0.949 741 N CB 0.430 38.959 38.487 0.070 0.000 1.110 741 N HN 0.193 nan 8.380 nan 0.000 0.490 742 N N 2.682 121.470 118.700 0.147 0.000 2.519 742 N HA -0.117 4.619 4.740 -0.007 0.000 0.186 742 N C 0.940 176.574 175.510 0.207 0.000 1.062 742 N CA 0.460 53.666 53.050 0.259 0.000 0.910 742 N CB 0.259 38.899 38.487 0.256 0.000 0.958 742 N HN 0.343 nan 8.380 nan 0.000 0.445 743 V N 1.382 121.368 119.914 0.119 0.000 2.548 743 V HA -0.154 3.962 4.120 -0.007 0.000 0.249 743 V C 2.390 178.551 176.094 0.112 0.000 1.055 743 V CA 1.381 63.744 62.300 0.104 0.000 1.065 743 V CB -0.339 31.525 31.823 0.069 0.000 0.681 743 V HN 0.266 nan 8.190 nan 0.000 0.462 744 K N -0.593 119.869 120.400 0.103 0.000 2.365 744 K HA -0.036 4.280 4.320 -0.007 0.000 0.197 744 K C 1.950 178.598 176.600 0.081 0.000 1.042 744 K CA 0.581 56.920 56.287 0.088 0.000 0.987 744 K CB 0.103 32.649 32.500 0.077 0.000 0.779 744 K HN 0.430 nan 8.250 nan 0.000 0.484 745 Q N -0.415 119.448 119.800 0.105 0.000 2.451 745 Q HA 0.030 4.366 4.340 -0.007 0.000 0.206 745 Q C 1.421 177.456 176.000 0.058 0.000 0.947 745 Q CA 0.570 56.414 55.803 0.069 0.000 0.937 745 Q CB 0.378 29.172 28.738 0.093 0.000 1.025 745 Q HN 0.389 nan 8.270 nan 0.000 0.511 746 M N -1.048 118.626 119.600 0.123 0.000 2.514 746 M HA -0.021 4.455 4.480 -0.007 0.000 0.258 746 M C 1.749 178.095 176.300 0.077 0.000 1.159 746 M CA 0.260 55.633 55.300 0.122 0.000 1.116 746 M CB 0.764 33.489 32.600 0.207 0.000 1.333 746 M HN -0.062 nan 8.290 nan 0.000 0.487 747 V N 0.461 120.422 119.914 0.078 0.000 2.515 747 V HA -0.214 3.902 4.120 -0.007 0.000 0.250 747 V C 2.159 178.282 176.094 0.048 0.000 1.058 747 V CA 1.445 63.786 62.300 0.068 0.000 1.064 747 V CB -0.437 31.433 31.823 0.079 0.000 0.675 747 V HN 0.505 nan 8.190 nan 0.000 0.461 748 M N -0.587 119.035 119.600 0.035 0.000 2.349 748 M HA -0.029 4.447 4.480 -0.007 0.000 0.266 748 M C 2.298 178.602 176.300 0.007 0.000 1.076 748 M CA 1.545 56.856 55.300 0.018 0.000 1.126 748 M CB -0.349 32.254 32.600 0.003 0.000 1.392 748 M HN 0.408 nan 8.290 nan 0.000 0.440 749 A N 0.198 123.020 122.820 0.003 0.000 1.897 749 A HA 0.184 4.500 4.320 -0.007 0.000 0.215 749 A C 1.530 179.117 177.584 0.005 0.000 1.181 749 A CA 1.417 53.450 52.037 -0.008 0.000 0.620 749 A CB -0.838 18.154 19.000 -0.014 0.000 0.821 749 A HN 0.599 nan 8.150 nan 0.000 0.443 750 G N -0.660 108.153 108.800 0.020 0.000 2.600 750 G HA2 -0.086 3.870 3.960 -0.007 0.000 0.251 750 G HA3 -0.086 3.870 3.960 -0.007 0.000 0.251 750 G C 0.605 175.524 174.900 0.032 0.000 1.142 750 G CA 0.999 46.117 45.100 0.029 0.000 0.994 750 G HN 1.349 nan 8.290 nan 0.000 0.511 751 S N -0.988 114.737 115.700 0.041 0.000 2.387 751 S HA 0.415 4.881 4.470 -0.007 0.000 0.221 751 S C 0.834 175.463 174.600 0.049 0.000 1.041 751 S CA 1.180 59.409 58.200 0.048 0.000 0.959 751 S CB 0.571 63.810 63.200 0.065 0.000 0.843 751 S HN 0.623 nan 8.310 nan 0.000 0.488 752 K N 0.265 120.699 120.400 0.056 0.000 2.557 752 K HA 0.542 4.858 4.320 -0.007 0.000 0.261 752 K C -0.322 176.311 176.600 0.054 0.000 0.932 752 K CA -0.131 56.186 56.287 0.051 0.000 0.829 752 K CB 1.865 34.392 32.500 0.046 0.000 1.358 752 K HN 0.513 nan 8.250 nan 0.000 0.430 753 G N 0.854 109.681 108.800 0.044 0.000 2.500 753 G HA2 -0.009 3.947 3.960 -0.007 0.000 0.209 753 G HA3 -0.009 3.947 3.960 -0.007 0.000 0.209 753 G C -1.098 173.838 174.900 0.060 0.000 1.283 753 G CA -0.372 44.756 45.100 0.047 0.000 0.960 753 G HN 0.885 nan 8.290 nan 0.000 0.528 754 S N -2.530 113.214 115.700 0.073 0.000 2.690 754 S HA 0.473 4.939 4.470 -0.007 0.000 0.264 754 S C 0.036 174.717 174.600 0.135 0.000 1.040 754 S CA 0.294 58.559 58.200 0.108 0.000 0.869 754 S CB 0.740 63.990 63.200 0.083 0.000 1.132 754 S HN 2.064 nan 8.310 nan 0.000 0.474 755 F N 1.882 121.849 119.950 0.030 0.000 2.094 755 F HA 0.204 4.726 4.527 -0.007 0.000 0.291 755 F C 1.972 177.792 175.800 0.034 0.000 1.109 755 F CA 1.159 59.177 58.000 0.030 0.000 1.221 755 F CB -0.477 38.539 39.000 0.026 0.000 1.014 755 F HN 0.541 nan 8.300 nan 0.000 0.473 756 I N 1.941 122.304 120.570 -0.345 0.000 2.203 756 I HA -0.488 3.678 4.170 -0.007 0.000 0.237 756 I C 2.186 178.115 176.117 -0.313 0.000 0.993 756 I CA 2.096 63.144 61.300 -0.420 0.000 1.277 756 I CB -1.341 36.605 38.000 -0.089 0.000 0.984 756 I HN 0.346 nan 8.210 nan 0.000 0.402 757 N N 0.553 119.176 118.700 -0.128 0.000 2.091 757 N HA -0.203 4.533 4.740 -0.007 0.000 0.193 757 N C 1.720 177.181 175.510 -0.081 0.000 1.021 757 N CA 1.555 54.574 53.050 -0.052 0.000 0.862 757 N CB -0.234 38.248 38.487 -0.009 0.000 1.018 757 N HN 0.389 nan 8.380 nan 0.000 0.429 758 I N 1.171 121.661 120.570 -0.132 0.000 2.353 758 I HA -0.117 4.049 4.170 -0.007 0.000 0.248 758 I C 2.449 178.463 176.117 -0.172 0.000 1.119 758 I CA 0.444 61.684 61.300 -0.100 0.000 1.417 758 I CB -1.562 36.425 38.000 -0.022 0.000 1.078 758 I HN -0.018 nan 8.210 nan 0.000 0.421 759 A N 1.069 123.632 122.820 -0.427 0.000 1.859 759 A HA -0.283 4.033 4.320 -0.007 0.000 0.218 759 A C 2.285 179.740 177.584 -0.215 0.000 1.209 759 A CA 2.081 53.833 52.037 -0.475 0.000 0.639 759 A CB -0.863 17.614 19.000 -0.872 0.000 0.835 759 A HN 0.536 nan 8.150 nan 0.000 0.450 760 Q N -1.467 118.225 119.800 -0.179 0.000 2.083 760 Q HA -0.032 4.304 4.340 -0.007 0.000 0.198 760 Q C 2.292 178.297 176.000 0.008 0.000 0.969 760 Q CA 1.398 57.139 55.803 -0.103 0.000 0.838 760 Q CB -0.212 28.529 28.738 0.006 0.000 0.900 760 Q HN 0.736 nan 8.270 nan 0.000 0.436 761 M N -0.038 119.594 119.600 0.054 0.000 2.132 761 M HA -0.115 4.361 4.480 -0.007 0.000 0.263 761 M C 1.845 178.167 176.300 0.037 0.000 1.065 761 M CA 1.351 56.711 55.300 0.100 0.000 1.122 761 M CB 0.193 32.834 32.600 0.068 0.000 1.365 761 M HN 0.018 nan 8.290 nan 0.000 0.411 762 S N -0.653 115.046 115.700 -0.002 0.000 2.497 762 S HA 0.318 4.783 4.470 -0.007 0.000 0.218 762 S C 1.059 175.651 174.600 -0.014 0.000 1.023 762 S CA 0.151 58.351 58.200 -0.001 0.000 0.913 762 S CB 0.259 63.465 63.200 0.011 0.000 0.800 762 S HN 0.427 nan 8.310 nan 0.000 0.505 763 A N 1.269 124.065 122.820 -0.040 0.000 3.748 763 A HA 0.551 4.866 4.320 -0.007 0.000 0.180 763 A C 0.737 178.276 177.584 -0.074 0.000 1.758 763 A CA 0.136 52.149 52.037 -0.040 0.000 1.736 763 A CB -0.837 18.133 19.000 -0.050 0.000 1.559 763 A HN 0.601 nan 8.150 nan 0.000 0.575 764 C N -0.148 119.094 119.300 -0.097 0.000 2.358 764 C HA 0.632 5.087 4.460 -0.007 0.000 0.342 764 C C 1.655 176.489 174.990 -0.259 0.000 1.234 764 C CA -0.042 58.862 59.018 -0.190 0.000 1.969 764 C CB 0.289 27.918 27.740 -0.186 0.000 2.346 764 C HN 0.887 nan 8.230 nan 0.000 0.525 765 V N 3.450 123.140 119.914 -0.374 0.000 2.407 765 V HA 0.524 4.640 4.120 -0.007 0.000 0.245 765 V C 1.531 177.394 176.094 -0.385 0.000 1.041 765 V CA 1.565 63.594 62.300 -0.451 0.000 1.040 765 V CB -1.991 29.415 31.823 -0.695 0.000 0.671 765 V HN 2.190 nan 8.190 nan 0.000 0.455 766 G N -0.146 108.366 108.800 -0.481 0.000 2.342 766 G HA2 -0.017 3.939 3.960 -0.007 0.000 0.220 766 G HA3 -0.017 3.939 3.960 -0.007 0.000 0.220 766 G C -0.871 173.934 174.900 -0.158 0.000 1.243 766 G CA -0.017 44.871 45.100 -0.352 0.000 1.083 766 G HN 0.699 nan 8.290 nan 0.000 0.500 767 Q N -0.221 119.635 119.800 0.093 0.000 2.241 767 Q HA 0.714 5.050 4.340 -0.007 0.000 0.254 767 Q C -0.106 175.891 176.000 -0.006 0.000 0.917 767 Q CA -0.269 55.628 55.803 0.157 0.000 0.919 767 Q CB 1.475 30.308 28.738 0.157 0.000 1.237 767 Q HN 0.613 nan 8.270 nan 0.000 0.434 768 Q N 0.945 120.719 119.800 -0.043 0.000 2.222 768 Q HA 0.714 5.050 4.340 -0.007 0.000 0.252 768 Q C -1.492 174.466 176.000 -0.070 0.000 0.926 768 Q CA -0.082 55.672 55.803 -0.082 0.000 0.899 768 Q CB 1.838 30.512 28.738 -0.106 0.000 1.250 768 Q HN 0.714 nan 8.270 nan 0.000 0.441 769 S N 0.349 116.020 115.700 -0.049 0.000 2.543 769 S HA 0.736 5.202 4.470 -0.007 0.000 0.273 769 S C -1.488 173.092 174.600 -0.033 0.000 1.152 769 S CA -0.782 57.390 58.200 -0.047 0.000 0.910 769 S CB 1.010 64.190 63.200 -0.034 0.000 1.105 769 S HN 0.275 nan 8.310 nan 0.000 0.465 770 V N 2.576 122.467 119.914 -0.038 0.000 2.588 770 V HA 0.592 4.708 4.120 -0.007 0.000 0.304 770 V C 0.349 176.431 176.094 -0.020 0.000 1.042 770 V CA -0.470 61.815 62.300 -0.025 0.000 0.877 770 V CB 1.158 32.968 31.823 -0.022 0.000 0.996 770 V HN 1.185 nan 8.190 nan 0.000 0.425 771 E N 3.254 123.447 120.200 -0.012 0.000 2.440 771 E HA -0.280 4.066 4.350 -0.007 0.000 0.246 771 E C 1.201 177.796 176.600 -0.009 0.000 1.165 771 E CA 0.915 57.310 56.400 -0.008 0.000 0.726 771 E CB -1.151 28.547 29.700 -0.004 0.000 1.271 771 E HN 1.508 nan 8.360 nan 0.000 0.397 772 G N -0.650 108.142 108.800 -0.012 0.000 2.234 772 G HA2 -0.380 3.576 3.960 -0.007 0.000 0.260 772 G HA3 -0.380 3.576 3.960 -0.007 0.000 0.260 772 G C 0.098 174.986 174.900 -0.019 0.000 0.987 772 G CA 0.839 45.932 45.100 -0.011 0.000 0.625 772 G HN 0.379 nan 8.290 nan 0.000 0.532 773 K N 0.486 120.870 120.400 -0.027 0.000 2.443 773 K HA 0.711 5.026 4.320 -0.007 0.000 0.251 773 K C 0.710 177.274 176.600 -0.060 0.000 0.972 773 K CA -1.161 55.103 56.287 -0.038 0.000 0.833 773 K CB 1.670 34.154 32.500 -0.027 0.000 1.317 773 K HN 0.402 nan 8.250 nan 0.000 0.441 774 R N 0.591 121.043 120.500 -0.080 0.000 2.980 774 R HA 0.136 4.472 4.340 -0.007 0.000 0.285 774 R C 0.006 176.215 176.300 -0.151 0.000 1.072 774 R CA -0.559 55.470 56.100 -0.119 0.000 1.203 774 R CB -0.094 30.128 30.300 -0.130 0.000 1.163 774 R HN 0.399 nan 8.270 nan 0.000 0.545 775 I N 1.737 122.180 120.570 -0.212 0.000 2.505 775 I HA 0.015 4.181 4.170 -0.007 0.000 0.287 775 I C 1.216 177.193 176.117 -0.234 0.000 1.104 775 I CA 0.203 61.381 61.300 -0.203 0.000 1.387 775 I CB -0.293 37.528 38.000 -0.299 0.000 1.404 775 I HN 0.886 nan 8.210 nan 0.000 0.528 776 A N 7.598 130.328 122.820 -0.150 0.000 2.846 776 A HA -0.196 4.120 4.320 -0.007 0.000 0.842 776 A C -0.150 177.364 177.584 -0.115 0.000 1.973 776 A CA 1.033 53.003 52.037 -0.111 0.000 2.416 776 A CB -0.253 18.762 19.000 0.024 0.000 1.413 776 A HN 0.637 nan 8.150 nan 0.000 0.675 777 F N -0.239 119.735 119.950 0.039 0.000 2.646 777 F HA 0.435 4.958 4.527 -0.007 0.000 0.364 777 F C 1.430 177.283 175.800 0.087 0.000 1.137 777 F CA -0.222 57.823 58.000 0.075 0.000 1.085 777 F CB 1.476 40.487 39.000 0.017 0.000 1.331 777 F HN 0.811 nan 8.300 nan 0.000 0.472 778 G N 3.680 112.679 108.800 0.331 0.000 2.496 778 G HA2 -0.118 3.838 3.960 -0.007 0.000 0.214 778 G HA3 -0.118 3.838 3.960 -0.007 0.000 0.214 778 G C 0.402 175.336 174.900 0.056 0.000 1.234 778 G CA 0.256 45.422 45.100 0.110 0.000 0.807 778 G HN 0.322 nan 8.290 nan 0.000 0.543 779 F N 0.357 120.393 119.950 0.143 0.000 2.490 779 F HA 0.297 4.820 4.527 -0.007 0.000 0.336 779 F C 0.819 176.648 175.800 0.048 0.000 1.178 779 F CA -0.707 57.347 58.000 0.090 0.000 1.301 779 F CB 0.971 40.034 39.000 0.105 0.000 1.175 779 F HN -0.139 nan 8.300 nan 0.000 0.593 780 V N 2.749 122.794 119.914 0.219 0.000 2.452 780 V HA -0.052 4.064 4.120 -0.007 0.000 0.286 780 V C -0.140 175.835 176.094 -0.199 0.000 0.995 780 V CA 0.125 62.436 62.300 0.018 0.000 1.116 780 V CB -0.619 31.206 31.823 0.003 0.000 0.954 780 V HN 0.868 nan 8.190 nan 0.000 0.473 781 D N 1.997 122.032 120.400 -0.609 0.000 3.076 781 D HA -0.185 4.451 4.640 -0.007 0.000 0.218 781 D C 0.493 176.088 176.300 -1.176 0.000 1.156 781 D CA 1.838 55.145 54.000 -1.154 0.000 0.921 781 D CB -0.586 39.951 40.800 -0.438 0.000 1.113 781 D HN 0.987 nan 8.370 nan 0.000 0.418 782 R N -3.327 116.771 120.500 -0.669 0.000 2.734 782 R HA 0.647 4.983 4.340 -0.007 0.000 0.271 782 R C 0.554 177.354 176.300 0.834 0.000 1.021 782 R CA -0.719 55.498 56.100 0.195 0.000 0.893 782 R CB 0.500 30.890 30.300 0.150 0.000 1.244 782 R HN -0.235 nan 8.270 nan 0.000 0.464 783 T N 0.441 115.472 114.554 0.794 0.000 2.701 783 T HA 0.113 4.459 4.350 -0.007 0.000 0.263 783 T C 0.711 175.877 174.700 0.776 0.000 1.040 783 T CA 1.244 63.776 62.100 0.721 0.000 1.147 783 T CB -0.213 69.062 68.868 0.678 0.000 0.865 783 T HN 0.350 nan 8.240 nan 0.000 0.426 784 L N -0.866 120.759 121.223 0.672 0.000 2.357 784 L HA 0.406 4.742 4.340 -0.007 0.000 0.244 784 L C -2.347 174.417 176.870 -0.175 0.000 1.115 784 L CA -2.091 52.939 54.840 0.318 0.000 0.919 784 L CB 1.662 43.804 42.059 0.138 0.000 1.532 784 L HN -0.269 nan 8.230 nan 0.000 0.416 785 P HA 0.138 nan 4.420 nan 0.000 0.259 785 P C 0.135 177.147 177.300 -0.480 0.000 1.530 785 P CA 0.380 63.152 63.100 -0.548 0.000 1.022 785 P CB 0.093 31.333 31.700 -0.766 0.000 1.514 786 H N -1.139 117.744 119.070 -0.312 0.000 2.542 786 H HA 0.297 4.849 4.556 -0.007 0.000 0.283 786 H C -0.029 175.212 175.328 -0.145 0.000 1.059 786 H CA -0.066 55.810 56.048 -0.288 0.000 1.162 786 H CB 0.290 29.763 29.762 -0.482 0.000 1.539 786 H HN 0.186 nan 8.280 nan 0.000 0.543 787 F N 0.499 120.499 119.950 0.083 0.000 2.540 787 F HA 0.231 4.754 4.527 -0.007 0.000 0.317 787 F C 0.795 176.621 175.800 0.043 0.000 1.104 787 F CA -1.006 57.047 58.000 0.089 0.000 0.913 787 F CB 2.055 41.138 39.000 0.139 0.000 1.170 787 F HN -0.070 nan 8.300 nan 0.000 0.450 788 S N 1.932 117.790 115.700 0.264 0.000 2.658 788 S HA 0.146 4.612 4.470 -0.007 0.000 0.249 788 S C -0.098 174.553 174.600 0.085 0.000 1.363 788 S CA -0.245 58.033 58.200 0.130 0.000 0.964 788 S CB 0.506 63.764 63.200 0.095 0.000 0.973 788 S HN 0.453 nan 8.310 nan 0.000 0.588 789 K N 0.681 121.101 120.400 0.034 0.000 2.139 789 K HA 0.317 4.633 4.320 -0.007 0.000 0.243 789 K C -0.928 175.680 176.600 0.014 0.000 0.983 789 K CA -0.708 55.566 56.287 -0.022 0.000 0.890 789 K CB 0.577 33.037 32.500 -0.067 0.000 1.090 789 K HN 0.522 nan 8.250 nan 0.000 0.445 790 D N 2.142 122.535 120.400 -0.011 0.000 2.848 790 D HA -0.151 4.485 4.640 -0.007 0.000 0.245 790 D C -1.138 175.315 176.300 0.255 0.000 1.122 790 D CA 1.062 55.166 54.000 0.173 0.000 0.769 790 D CB -0.636 40.223 40.800 0.098 0.000 1.025 790 D HN 0.555 nan 8.370 nan 0.000 0.423 791 D N 0.403 120.949 120.400 0.243 0.000 2.440 791 D HA 0.166 4.802 4.640 -0.007 0.000 0.252 791 D C -0.062 176.303 176.300 0.110 0.000 1.180 791 D CA -0.555 53.546 54.000 0.168 0.000 0.894 791 D CB 0.279 41.085 40.800 0.010 0.000 1.111 791 D HN 0.028 nan 8.370 nan 0.000 0.544 792 Y N 1.111 121.424 120.300 0.021 0.000 2.467 792 Y HA 0.130 4.676 4.550 -0.007 0.000 0.250 792 Y C 1.545 177.471 175.900 0.043 0.000 1.155 792 Y CA -0.554 57.562 58.100 0.026 0.000 1.249 792 Y CB -0.335 38.151 38.460 0.043 0.000 1.146 792 Y HN 0.286 nan 8.280 nan 0.000 0.524 793 S N 2.530 118.317 115.700 0.146 0.000 2.553 793 S HA -0.052 4.414 4.470 -0.007 0.000 0.271 793 S C -0.936 173.658 174.600 -0.009 0.000 1.362 793 S CA -0.616 57.624 58.200 0.067 0.000 1.010 793 S CB 0.826 64.045 63.200 0.032 0.000 0.865 793 S HN 0.180 nan 8.310 nan 0.000 0.543 794 P HA -0.250 nan 4.420 nan 0.000 0.213 794 P C 1.199 178.546 177.300 0.079 0.000 1.170 794 P CA 1.987 65.077 63.100 -0.016 0.000 0.902 794 P CB -0.161 31.501 31.700 -0.063 0.000 0.789 795 E N 0.520 120.805 120.200 0.142 0.000 2.037 795 E HA -0.246 4.099 4.350 -0.007 0.000 0.214 795 E C 2.418 179.164 176.600 0.243 0.000 1.041 795 E CA 1.784 58.339 56.400 0.258 0.000 0.872 795 E CB -1.385 28.443 29.700 0.214 0.000 0.785 795 E HN 0.206 nan 8.360 nan 0.000 0.476 796 S N 0.271 115.898 115.700 -0.122 0.000 2.392 796 S HA -0.185 4.281 4.470 -0.007 0.000 0.232 796 S C 1.692 176.134 174.600 -0.262 0.000 1.041 796 S CA 1.431 59.297 58.200 -0.557 0.000 1.026 796 S CB -0.028 62.781 63.200 -0.651 0.000 0.845 796 S HN 0.117 nan 8.310 nan 0.000 0.465 797 K N -0.372 119.889 120.400 -0.231 0.000 2.373 797 K HA 0.243 4.559 4.320 -0.007 0.000 0.202 797 K C 0.650 177.020 176.600 -0.382 0.000 1.025 797 K CA 0.612 56.708 56.287 -0.318 0.000 1.115 797 K CB 0.672 32.993 32.500 -0.299 0.000 0.858 797 K HN 0.489 nan 8.250 nan 0.000 0.525 798 G N 1.775 110.310 108.800 -0.442 0.000 2.245 798 G HA2 -0.207 3.749 3.960 -0.007 0.000 0.130 798 G HA3 -0.207 3.749 3.960 -0.007 0.000 0.130 798 G C -0.734 174.089 174.900 -0.128 0.000 1.040 798 G CA -0.692 44.013 45.100 -0.658 0.000 0.713 798 G HN 0.215 nan 8.290 nan 0.000 0.488 799 F N 2.265 122.126 119.950 -0.148 0.000 2.313 799 F HA 0.599 5.121 4.527 -0.007 0.000 0.369 799 F C 0.609 176.429 175.800 0.032 0.000 1.109 799 F CA -0.926 57.041 58.000 -0.055 0.000 1.132 799 F CB 1.128 40.104 39.000 -0.040 0.000 1.291 799 F HN 0.065 nan 8.300 nan 0.000 0.496 800 V N 6.553 126.343 119.914 -0.207 0.000 2.572 800 V HA 0.040 4.156 4.120 -0.007 0.000 0.291 800 V C 0.853 176.509 176.094 -0.730 0.000 1.039 800 V CA 0.384 62.492 62.300 -0.318 0.000 1.055 800 V CB 1.308 32.963 31.823 -0.280 0.000 0.969 800 V HN 0.888 nan 8.190 nan 0.000 0.482 801 E N 3.360 123.319 120.200 -0.401 0.000 2.441 801 E HA 0.060 4.406 4.350 -0.007 0.000 0.212 801 E C 0.624 177.076 176.600 -0.248 0.000 0.840 801 E CA -0.336 55.799 56.400 -0.441 0.000 1.143 801 E CB 0.496 30.106 29.700 -0.150 0.000 1.153 801 E HN 0.784 nan 8.360 nan 0.000 0.539 802 N N 1.381 119.983 118.700 -0.164 0.000 2.263 802 N HA 0.033 4.769 4.740 -0.007 0.000 0.239 802 N C -0.065 175.334 175.510 -0.184 0.000 1.317 802 N CA 0.641 53.619 53.050 -0.120 0.000 0.909 802 N CB 0.787 39.234 38.487 -0.067 0.000 1.171 802 N HN 0.084 nan 8.380 nan 0.000 0.492 803 S N -1.003 114.617 115.700 -0.133 0.000 2.638 803 S HA 0.316 4.782 4.470 -0.007 0.000 0.298 803 S C 0.757 175.283 174.600 -0.123 0.000 1.111 803 S CA -0.732 57.371 58.200 -0.161 0.000 1.027 803 S CB 0.470 63.626 63.200 -0.073 0.000 1.064 803 S HN 0.494 nan 8.310 nan 0.000 0.525 804 Y N 0.196 120.492 120.300 -0.007 0.000 2.465 804 Y HA -0.100 4.446 4.550 -0.007 0.000 0.289 804 Y C 2.053 177.959 175.900 0.011 0.000 1.150 804 Y CA 0.502 58.615 58.100 0.022 0.000 1.293 804 Y CB -0.133 38.343 38.460 0.027 0.000 0.977 804 Y HN 0.540 nan 8.280 nan 0.000 0.556 805 L N 0.616 121.918 121.223 0.131 0.000 2.168 805 L HA -0.003 4.333 4.340 -0.007 0.000 0.203 805 L C 1.869 178.764 176.870 0.042 0.000 1.078 805 L CA 1.477 56.363 54.840 0.076 0.000 0.780 805 L CB -0.584 41.502 42.059 0.044 0.000 0.939 805 L HN 0.002 nan 8.230 nan 0.000 0.451 806 R N 0.262 120.772 120.500 0.017 0.000 2.080 806 R HA 0.505 4.841 4.340 -0.007 0.000 0.222 806 R C 0.665 176.973 176.300 0.015 0.000 1.107 806 R CA 0.618 56.724 56.100 0.011 0.000 0.980 806 R CB -0.404 29.897 30.300 0.002 0.000 0.879 806 R HN 0.469 nan 8.270 nan 0.000 0.439 807 G N -0.289 108.519 108.800 0.013 0.000 2.334 807 G HA2 0.145 4.100 3.960 -0.007 0.000 0.566 807 G HA3 0.145 4.100 3.960 -0.007 0.000 0.566 807 G C -1.574 173.346 174.900 0.033 0.000 1.413 807 G CA -1.165 43.955 45.100 0.033 0.000 0.993 807 G HN -0.047 nan 8.290 nan 0.000 0.642 808 L N 0.677 121.945 121.223 0.076 0.000 2.454 808 L HA 0.794 5.129 4.340 -0.007 0.000 0.256 808 L C 1.715 178.622 176.870 0.062 0.000 1.136 808 L CA 0.138 55.032 54.840 0.089 0.000 0.804 808 L CB 1.075 43.255 42.059 0.203 0.000 1.181 808 L HN 1.073 nan 8.230 nan 0.000 0.469 809 T N -2.851 111.743 114.554 0.066 0.000 2.880 809 T HA 0.450 4.795 4.350 -0.007 0.000 0.279 809 T C -1.994 172.731 174.700 0.042 0.000 0.990 809 T CA -1.744 60.371 62.100 0.026 0.000 0.938 809 T CB 1.138 70.019 68.868 0.022 0.000 1.206 809 T HN 0.358 nan 8.240 nan 0.000 0.573 810 P HA -0.162 nan 4.420 nan 0.000 0.215 810 P C 1.535 178.781 177.300 -0.089 0.000 1.163 810 P CA 1.462 64.530 63.100 -0.053 0.000 0.894 810 P CB -0.014 31.591 31.700 -0.158 0.000 0.791 811 Q N -0.442 119.211 119.800 -0.246 0.000 2.020 811 Q HA -0.133 4.203 4.340 -0.007 0.000 0.198 811 Q C 2.117 177.833 176.000 -0.474 0.000 0.974 811 Q CA 1.469 56.928 55.803 -0.573 0.000 0.829 811 Q CB -1.056 27.424 28.738 -0.431 0.000 0.894 811 Q HN 0.352 nan 8.270 nan 0.000 0.433 812 E N 0.002 120.221 120.200 0.033 0.000 2.068 812 E HA -0.247 4.099 4.350 -0.007 0.000 0.207 812 E C 1.669 178.446 176.600 0.295 0.000 1.032 812 E CA 1.398 57.975 56.400 0.295 0.000 0.839 812 E CB -0.345 29.475 29.700 0.200 0.000 0.758 812 E HN 0.199 nan 8.360 nan 0.000 0.457 813 F N 0.421 120.422 119.950 0.084 0.000 2.087 813 F HA -0.260 4.263 4.527 -0.007 0.000 0.299 813 F C 2.108 177.951 175.800 0.072 0.000 1.100 813 F CA 1.578 59.619 58.000 0.069 0.000 1.226 813 F CB -0.535 38.482 39.000 0.028 0.000 0.983 813 F HN 0.025 nan 8.300 nan 0.000 0.479 814 F N -0.800 119.069 119.950 -0.135 0.000 2.407 814 F HA -0.097 4.426 4.527 -0.007 0.000 0.299 814 F C 1.914 177.687 175.800 -0.045 0.000 1.097 814 F CA 1.052 58.933 58.000 -0.198 0.000 1.422 814 F CB -0.587 38.276 39.000 -0.228 0.000 1.067 814 F HN -0.018 nan 8.300 nan 0.000 0.539 815 F N -1.374 118.599 119.950 0.037 0.000 2.094 815 F HA -0.174 4.349 4.527 -0.007 0.000 0.291 815 F C 2.689 178.462 175.800 -0.044 0.000 1.109 815 F CA 0.928 58.941 58.000 0.021 0.000 1.221 815 F CB -0.856 38.221 39.000 0.127 0.000 1.014 815 F HN -0.048 nan 8.300 nan 0.000 0.473 816 H N 1.091 120.266 119.070 0.174 0.000 2.431 816 H HA -0.198 4.354 4.556 -0.007 0.000 0.297 816 H C 1.964 177.189 175.328 -0.172 0.000 1.115 816 H CA 1.348 57.392 56.048 -0.007 0.000 1.277 816 H CB -0.397 29.366 29.762 0.002 0.000 1.372 816 H HN 0.228 nan 8.280 nan 0.000 0.516 817 A N -0.058 122.571 122.820 -0.319 0.000 2.015 817 A HA -0.107 4.209 4.320 -0.007 0.000 0.219 817 A C 2.493 179.894 177.584 -0.305 0.000 1.163 817 A CA 1.440 53.194 52.037 -0.471 0.000 0.646 817 A CB -0.528 18.065 19.000 -0.679 0.000 0.806 817 A HN 0.448 nan 8.150 nan 0.000 0.448 818 M N -0.025 119.433 119.600 -0.236 0.000 2.374 818 M HA 0.054 4.530 4.480 -0.007 0.000 0.264 818 M C 2.012 178.273 176.300 -0.066 0.000 1.067 818 M CA 0.814 56.025 55.300 -0.148 0.000 1.103 818 M CB -0.707 31.849 32.600 -0.073 0.000 1.402 818 M HN 0.444 nan 8.290 nan 0.000 0.444 819 G N 0.443 109.241 108.800 -0.002 0.000 3.569 819 G HA2 -0.196 3.760 3.960 -0.007 0.000 0.224 819 G HA3 -0.196 3.760 3.960 -0.007 0.000 0.224 819 G C 0.682 175.589 174.900 0.011 0.000 1.013 819 G CA 0.795 45.931 45.100 0.060 0.000 0.737 819 G HN 0.565 nan 8.290 nan 0.000 1.230 820 G N -1.239 107.565 108.800 0.007 0.000 2.384 820 G HA2 0.526 4.482 3.960 -0.007 0.000 0.316 820 G HA3 0.526 4.482 3.960 -0.007 0.000 0.316 820 G C 0.274 175.144 174.900 -0.050 0.000 1.160 820 G CA 0.335 45.430 45.100 -0.007 0.000 0.936 820 G HN 0.693 nan 8.290 nan 0.000 0.455 821 R N 1.327 121.799 120.500 -0.046 0.000 2.650 821 R HA 0.163 4.499 4.340 -0.007 0.000 0.212 821 R C 1.551 177.829 176.300 -0.038 0.000 0.904 821 R CA 0.680 56.744 56.100 -0.061 0.000 1.021 821 R CB -0.337 29.916 30.300 -0.078 0.000 1.519 821 R HN 0.471 nan 8.270 nan 0.000 0.639 822 E N 0.385 120.566 120.200 -0.032 0.000 2.070 822 E HA -0.164 4.182 4.350 -0.007 0.000 0.197 822 E C 1.526 178.116 176.600 -0.016 0.000 1.004 822 E CA 1.927 58.314 56.400 -0.021 0.000 0.805 822 E CB -0.446 29.245 29.700 -0.015 0.000 0.744 822 E HN 0.470 nan 8.360 nan 0.000 0.451 823 G N 1.644 110.437 108.800 -0.013 0.000 2.639 823 G HA2 -0.323 3.633 3.960 -0.007 0.000 0.216 823 G HA3 -0.323 3.633 3.960 -0.007 0.000 0.216 823 G C 1.555 176.447 174.900 -0.013 0.000 1.267 823 G CA 1.198 46.293 45.100 -0.008 0.000 0.801 823 G HN 0.301 nan 8.290 nan 0.000 0.592 824 L N 0.220 121.432 121.223 -0.018 0.000 2.082 824 L HA -0.254 4.081 4.340 -0.007 0.000 0.223 824 L C 2.930 179.788 176.870 -0.020 0.000 1.086 824 L CA 1.235 56.062 54.840 -0.021 0.000 0.793 824 L CB -0.493 41.549 42.059 -0.028 0.000 0.896 824 L HN 0.246 nan 8.230 nan 0.000 0.441 825 I N 0.420 120.978 120.570 -0.020 0.000 2.113 825 I HA -0.278 3.888 4.170 -0.007 0.000 0.238 825 I C 2.348 178.455 176.117 -0.015 0.000 1.070 825 I CA 2.110 63.399 61.300 -0.018 0.000 1.332 825 I CB -1.464 36.525 38.000 -0.018 0.000 1.044 825 I HN 0.434 nan 8.210 nan 0.000 0.402 826 D N 0.208 120.600 120.400 -0.013 0.000 2.178 826 D HA -0.164 4.471 4.640 -0.007 0.000 0.201 826 D C 1.881 178.175 176.300 -0.010 0.000 0.980 826 D CA 1.475 55.469 54.000 -0.010 0.000 0.842 826 D CB -1.070 39.726 40.800 -0.007 0.000 0.948 826 D HN 0.179 nan 8.370 nan 0.000 0.472 827 T N 0.418 114.965 114.554 -0.011 0.000 2.594 827 T HA -0.264 4.082 4.350 -0.007 0.000 0.266 827 T C 1.895 176.587 174.700 -0.013 0.000 1.070 827 T CA 2.501 64.594 62.100 -0.011 0.000 1.166 827 T CB -0.700 68.160 68.868 -0.013 0.000 0.862 827 T HN 0.457 nan 8.240 nan 0.000 0.436 828 A N -0.268 122.544 122.820 -0.015 0.000 2.252 828 A HA 0.341 4.656 4.320 -0.007 0.000 0.207 828 A C 2.116 179.689 177.584 -0.018 0.000 1.194 828 A CA 0.311 52.338 52.037 -0.017 0.000 0.809 828 A CB -0.144 18.845 19.000 -0.018 0.000 0.814 828 A HN 0.382 nan 8.150 nan 0.000 0.482 829 V N -1.392 118.513 119.914 -0.015 0.000 2.911 829 V HA 0.005 4.120 4.120 -0.007 0.000 0.237 829 V C 2.085 178.174 176.094 -0.009 0.000 1.156 829 V CA 1.031 63.323 62.300 -0.014 0.000 1.180 829 V CB 0.088 31.902 31.823 -0.015 0.000 0.932 829 V HN 0.277 nan 8.190 nan 0.000 0.483 830 K N 0.387 120.783 120.400 -0.006 0.000 2.242 830 K HA -0.187 4.129 4.320 -0.007 0.000 0.206 830 K C 1.936 178.535 176.600 -0.001 0.000 1.045 830 K CA 1.916 58.202 56.287 -0.003 0.000 0.930 830 K CB -0.814 31.683 32.500 -0.006 0.000 0.726 830 K HN 0.404 nan 8.250 nan 0.000 0.462 831 T N -1.075 113.476 114.554 -0.006 0.000 3.081 831 T HA 0.187 4.533 4.350 -0.007 0.000 0.255 831 T C 1.330 176.028 174.700 -0.003 0.000 1.113 831 T CA 0.785 62.882 62.100 -0.006 0.000 1.082 831 T CB 0.146 69.008 68.868 -0.010 0.000 0.939 831 T HN 0.288 nan 8.240 nan 0.000 0.506 832 A N 0.432 123.250 122.820 -0.004 0.000 2.013 832 A HA 0.291 4.607 4.320 -0.007 0.000 0.204 832 A C 1.935 179.535 177.584 0.026 0.000 1.262 832 A CA 0.335 52.371 52.037 -0.002 0.000 0.800 832 A CB -0.114 18.871 19.000 -0.024 0.000 0.909 832 A HN 0.383 nan 8.150 nan 0.000 0.472 833 E N 0.102 120.316 120.200 0.024 0.000 2.021 833 E HA -0.180 4.166 4.350 -0.007 0.000 0.200 833 E C 2.001 178.648 176.600 0.078 0.000 1.015 833 E CA 2.205 58.638 56.400 0.056 0.000 0.824 833 E CB -0.323 29.398 29.700 0.034 0.000 0.762 833 E HN 0.592 nan 8.360 nan 0.000 0.454 834 T N -0.014 114.564 114.554 0.040 0.000 2.493 834 T HA -0.284 4.062 4.350 -0.007 0.000 0.256 834 T C 1.881 176.607 174.700 0.044 0.000 1.195 834 T CA 1.617 63.735 62.100 0.030 0.000 1.183 834 T CB -1.249 67.623 68.868 0.007 0.000 0.863 834 T HN 0.469 nan 8.240 nan 0.000 0.418 835 G N -0.169 108.654 108.800 0.037 0.000 2.532 835 G HA2 -0.278 3.678 3.960 -0.007 0.000 0.222 835 G HA3 -0.278 3.678 3.960 -0.007 0.000 0.222 835 G C 1.319 176.293 174.900 0.123 0.000 1.102 835 G CA 1.047 46.177 45.100 0.051 0.000 0.742 835 G HN 0.527 nan 8.290 nan 0.000 0.577 836 Y N 1.318 121.613 120.300 -0.009 0.000 2.109 836 Y HA -0.095 4.451 4.550 -0.007 0.000 0.285 836 Y C 2.673 178.595 175.900 0.037 0.000 1.131 836 Y CA 0.377 58.480 58.100 0.005 0.000 1.121 836 Y CB -0.444 38.011 38.460 -0.009 0.000 0.987 836 Y HN 0.085 nan 8.280 nan 0.000 0.495 837 I N 0.682 121.285 120.570 0.055 0.000 2.322 837 I HA -0.465 3.701 4.170 -0.007 0.000 0.235 837 I C 2.298 178.401 176.117 -0.023 0.000 0.967 837 I CA 2.240 63.528 61.300 -0.020 0.000 1.260 837 I CB -1.741 36.260 38.000 0.002 0.000 0.968 837 I HN 0.385 nan 8.210 nan 0.000 0.398 838 Q N 0.365 120.164 119.800 -0.002 0.000 2.591 838 Q HA -0.144 4.191 4.340 -0.007 0.000 0.219 838 Q C 1.961 177.964 176.000 0.004 0.000 0.981 838 Q CA 0.872 56.663 55.803 -0.020 0.000 0.945 838 Q CB -0.015 28.704 28.738 -0.031 0.000 0.985 838 Q HN 0.510 nan 8.270 nan 0.000 0.542 839 R N -1.093 119.425 120.500 0.030 0.000 2.342 839 R HA 0.126 4.462 4.340 -0.007 0.000 0.204 839 R C 1.423 177.796 176.300 0.122 0.000 0.882 839 R CA 0.091 56.241 56.100 0.084 0.000 1.041 839 R CB 0.570 30.959 30.300 0.149 0.000 1.188 839 R HN 0.084 nan 8.270 nan 0.000 0.598 840 R N -0.001 120.546 120.500 0.079 0.000 2.223 840 R HA 0.176 4.512 4.340 -0.007 0.000 0.198 840 R C 2.004 178.320 176.300 0.027 0.000 0.984 840 R CA 0.300 56.505 56.100 0.175 0.000 1.018 840 R CB -0.010 30.396 30.300 0.178 0.000 0.945 840 R HN 0.077 nan 8.270 nan 0.000 0.479 841 L N 0.412 121.621 121.223 -0.024 0.000 2.046 841 L HA -0.122 4.214 4.340 -0.007 0.000 0.208 841 L C 1.763 178.570 176.870 -0.105 0.000 1.077 841 L CA 1.287 56.087 54.840 -0.067 0.000 0.747 841 L CB -0.225 41.792 42.059 -0.069 0.000 0.896 841 L HN 0.068 nan 8.230 nan 0.000 0.432 842 V N -0.829 119.037 119.914 -0.079 0.000 3.141 842 V HA -0.156 3.960 4.120 -0.007 0.000 0.265 842 V C 2.092 178.086 176.094 -0.167 0.000 1.126 842 V CA 1.173 63.410 62.300 -0.104 0.000 1.141 842 V CB -0.426 31.361 31.823 -0.059 0.000 0.743 842 V HN 0.306 nan 8.190 nan 0.000 0.492 843 K N -0.634 119.631 120.400 -0.225 0.000 2.358 843 K HA 0.371 4.687 4.320 -0.007 0.000 0.200 843 K C 1.577 177.735 176.600 -0.736 0.000 1.030 843 K CA 0.772 56.875 56.287 -0.307 0.000 1.097 843 K CB 1.045 33.523 32.500 -0.037 0.000 0.862 843 K HN 0.432 nan 8.250 nan 0.000 0.534 844 A N 0.450 122.705 122.820 -0.942 0.000 1.938 844 A HA 0.125 4.441 4.320 -0.007 0.000 0.207 844 A C 1.956 179.221 177.584 -0.532 0.000 1.292 844 A CA 0.122 51.430 52.037 -1.215 0.000 0.700 844 A CB -0.298 17.677 19.000 -1.708 0.000 0.947 844 A HN 0.116 nan 8.150 nan 0.000 0.476 845 L N -0.932 120.100 121.223 -0.318 0.000 1.976 845 L HA -0.181 4.155 4.340 -0.007 0.000 0.209 845 L C 2.021 178.785 176.870 -0.176 0.000 1.071 845 L CA 1.970 56.689 54.840 -0.202 0.000 0.746 845 L CB -0.905 41.082 42.059 -0.120 0.000 0.890 845 L HN 0.667 nan 8.230 nan 0.000 0.432 846 E N 0.491 120.596 120.200 -0.159 0.000 4.080 846 E HA -0.403 3.943 4.350 -0.007 0.000 0.216 846 E C 0.924 177.455 176.600 -0.115 0.000 1.293 846 E CA 2.388 58.707 56.400 -0.136 0.000 2.138 846 E CB -0.780 28.819 29.700 -0.169 0.000 1.884 846 E HN 0.787 nan 8.360 nan 0.000 0.262 847 D N 0.290 120.618 120.400 -0.120 0.000 2.336 847 D HA 0.084 4.720 4.640 -0.007 0.000 0.228 847 D C 0.482 176.729 176.300 -0.088 0.000 1.120 847 D CA -0.041 53.903 54.000 -0.094 0.000 0.839 847 D CB -0.132 40.623 40.800 -0.076 0.000 0.932 847 D HN 0.126 nan 8.370 nan 0.000 0.509 848 I N 1.286 121.804 120.570 -0.087 0.000 2.720 848 I HA 0.379 4.545 4.170 -0.007 0.000 0.287 848 I C 0.738 176.804 176.117 -0.085 0.000 1.090 848 I CA -0.689 60.571 61.300 -0.067 0.000 1.384 848 I CB 0.325 38.299 38.000 -0.042 0.000 1.420 848 I HN 0.144 nan 8.210 nan 0.000 0.575 849 M N 3.209 122.743 119.600 -0.109 0.000 2.361 849 M HA 0.296 4.771 4.480 -0.007 0.000 0.274 849 M C -1.553 174.608 176.300 -0.230 0.000 1.035 849 M CA -0.681 54.510 55.300 -0.181 0.000 0.907 849 M CB 0.895 33.342 32.600 -0.256 0.000 1.971 849 M HN -0.011 nan 8.290 nan 0.000 0.494 850 V N 5.026 124.849 119.914 -0.152 0.000 2.479 850 V HA 0.001 4.116 4.120 -0.007 0.000 0.284 850 V C 0.688 176.678 176.094 -0.173 0.000 0.981 850 V CA 0.739 62.985 62.300 -0.091 0.000 1.139 850 V CB -1.416 30.342 31.823 -0.109 0.000 0.947 850 V HN 0.779 nan 8.190 nan 0.000 0.468 851 H N 4.120 123.180 119.070 -0.016 0.000 2.544 851 H HA 0.127 4.679 4.556 -0.007 0.000 0.365 851 H C 0.872 176.241 175.328 0.068 0.000 1.268 851 H CA -0.472 55.554 56.048 -0.037 0.000 1.400 851 H CB 0.629 30.408 29.762 0.029 0.000 1.538 851 H HN 0.577 nan 8.280 nan 0.000 0.597 852 Y N 0.629 121.047 120.300 0.197 0.000 2.790 852 Y HA -0.246 4.300 4.550 -0.007 0.000 0.258 852 Y C 0.939 176.908 175.900 0.115 0.000 1.178 852 Y CA 0.617 58.800 58.100 0.140 0.000 1.715 852 Y CB -0.223 38.322 38.460 0.141 0.000 0.958 852 Y HN 0.580 nan 8.280 nan 0.000 0.664 853 D N -2.610 117.956 120.400 0.277 0.000 2.571 853 D HA 0.006 4.642 4.640 -0.007 0.000 0.239 853 D C 0.432 176.842 176.300 0.183 0.000 1.267 853 D CA -0.215 53.898 54.000 0.189 0.000 0.823 853 D CB -0.610 40.280 40.800 0.150 0.000 1.056 853 D HN 0.044 nan 8.370 nan 0.000 0.494 854 N N -0.646 118.167 118.700 0.189 0.000 2.707 854 N HA -0.230 4.506 4.740 -0.007 0.000 0.245 854 N C 0.046 175.673 175.510 0.194 0.000 1.103 854 N CA 1.468 54.623 53.050 0.174 0.000 0.882 854 N CB -1.118 37.465 38.487 0.160 0.000 1.160 854 N HN 0.397 nan 8.380 nan 0.000 0.587 855 T N -0.254 114.422 114.554 0.204 0.000 2.616 855 T HA 0.107 4.453 4.350 -0.007 0.000 0.327 855 T C 0.441 175.247 174.700 0.176 0.000 1.049 855 T CA 0.731 62.956 62.100 0.209 0.000 1.022 855 T CB 0.531 69.523 68.868 0.206 0.000 1.009 855 T HN 0.160 nan 8.240 nan 0.000 0.535 856 T N 2.590 117.223 114.554 0.131 0.000 3.422 856 T HA 0.431 4.777 4.350 -0.007 0.000 0.327 856 T C -1.162 173.573 174.700 0.058 0.000 0.840 856 T CA -0.674 61.487 62.100 0.102 0.000 1.126 856 T CB 0.168 69.115 68.868 0.131 0.000 1.008 856 T HN 0.646 nan 8.240 nan 0.000 0.485 857 R N 1.540 122.096 120.500 0.093 0.000 2.781 857 R HA 0.591 4.927 4.340 -0.007 0.000 0.269 857 R C -0.150 176.192 176.300 0.071 0.000 1.025 857 R CA -1.390 54.743 56.100 0.055 0.000 0.914 857 R CB 1.154 31.487 30.300 0.054 0.000 1.236 857 R HN 0.548 nan 8.270 nan 0.000 0.465 858 N N -0.731 117.985 118.700 0.027 0.000 2.418 858 N HA 0.055 4.791 4.740 -0.007 0.000 0.283 858 N C 0.347 175.882 175.510 0.041 0.000 1.267 858 N CA -0.305 52.752 53.050 0.011 0.000 0.975 858 N CB 0.783 39.253 38.487 -0.028 0.000 1.167 858 N HN 0.598 nan 8.380 nan 0.000 0.581 859 S N 0.053 115.759 115.700 0.009 0.000 2.413 859 S HA -0.213 4.253 4.470 -0.007 0.000 0.237 859 S C 1.846 176.455 174.600 0.014 0.000 1.044 859 S CA 1.227 59.437 58.200 0.016 0.000 1.024 859 S CB -0.818 62.377 63.200 -0.009 0.000 0.829 859 S HN 0.517 nan 8.310 nan 0.000 0.475 860 L N 0.772 121.996 121.223 0.003 0.000 2.217 860 L HA 0.175 4.511 4.340 -0.007 0.000 0.211 860 L C 2.254 179.120 176.870 -0.007 0.000 1.107 860 L CA 0.729 55.568 54.840 -0.003 0.000 0.783 860 L CB -0.766 41.288 42.059 -0.007 0.000 0.919 860 L HN 0.638 nan 8.230 nan 0.000 0.442 861 G N -0.869 107.927 108.800 -0.007 0.000 2.195 861 G HA2 -0.237 3.719 3.960 -0.007 0.000 0.224 861 G HA3 -0.237 3.719 3.960 -0.007 0.000 0.224 861 G C 0.012 174.897 174.900 -0.025 0.000 0.990 861 G CA -0.265 44.817 45.100 -0.029 0.000 0.639 861 G HN 0.345 nan 8.290 nan 0.000 0.514 862 N N 0.840 119.526 118.700 -0.023 0.000 2.440 862 N HA 0.399 5.135 4.740 -0.007 0.000 0.265 862 N C 0.570 176.035 175.510 -0.074 0.000 1.239 862 N CA 0.108 53.132 53.050 -0.043 0.000 0.909 862 N CB 1.469 39.934 38.487 -0.037 0.000 1.066 862 N HN 0.227 nan 8.380 nan 0.000 0.474 863 V N 3.394 123.228 119.914 -0.133 0.000 3.051 863 V HA 0.104 4.220 4.120 -0.007 0.000 0.306 863 V C 1.331 177.258 176.094 -0.278 0.000 1.083 863 V CA 0.109 62.270 62.300 -0.232 0.000 1.104 863 V CB 0.822 32.393 31.823 -0.421 0.000 1.027 863 V HN 0.613 nan 8.190 nan 0.000 0.483 864 I N 0.973 121.392 120.570 -0.252 0.000 4.033 864 I HA 0.245 4.411 4.170 -0.007 0.000 0.296 864 I C 0.583 176.557 176.117 -0.238 0.000 1.210 864 I CA 0.671 61.845 61.300 -0.210 0.000 1.341 864 I CB 0.384 38.322 38.000 -0.104 0.000 1.369 864 I HN 0.550 nan 8.210 nan 0.000 0.453 865 Q N -0.259 119.428 119.800 -0.188 0.000 2.331 865 Q HA 0.398 4.734 4.340 -0.007 0.000 0.272 865 Q C -0.503 175.520 176.000 0.039 0.000 1.062 865 Q CA -0.377 55.390 55.803 -0.061 0.000 0.806 865 Q CB 3.068 31.822 28.738 0.026 0.000 1.312 865 Q HN 0.106 nan 8.270 nan 0.000 0.431 866 F N 1.620 121.619 119.950 0.080 0.000 2.754 866 F HA 0.276 4.799 4.527 -0.007 0.000 0.297 866 F C 0.534 176.392 175.800 0.096 0.000 1.122 866 F CA 0.305 58.353 58.000 0.080 0.000 1.400 866 F CB 0.908 39.946 39.000 0.063 0.000 1.117 866 F HN 0.331 nan 8.300 nan 0.000 0.587 867 I N -0.963 119.780 120.570 0.289 0.000 2.534 867 I HA 0.135 4.301 4.170 -0.007 0.000 0.286 867 I C -0.820 175.443 176.117 0.243 0.000 1.094 867 I CA -1.192 60.247 61.300 0.231 0.000 1.055 867 I CB 1.013 39.128 38.000 0.192 0.000 1.225 867 I HN -0.153 nan 8.210 nan 0.000 0.435 868 Y N 5.676 126.041 120.300 0.107 0.000 2.805 868 Y HA 0.246 4.791 4.550 -0.007 0.000 0.337 868 Y C 1.530 177.489 175.900 0.098 0.000 1.252 868 Y CA 1.681 59.832 58.100 0.085 0.000 1.515 868 Y CB 0.787 39.279 38.460 0.052 0.000 1.305 868 Y HN 0.918 nan 8.280 nan 0.000 0.600 869 G N 3.285 111.896 108.800 -0.315 0.000 2.186 869 G HA2 -0.402 3.554 3.960 -0.007 0.000 0.266 869 G HA3 -0.402 3.554 3.960 -0.007 0.000 0.266 869 G C 0.423 175.341 174.900 0.030 0.000 0.982 869 G CA 0.752 45.702 45.100 -0.249 0.000 0.670 869 G HN 1.002 nan 8.290 nan 0.000 0.533 870 E N -1.951 118.300 120.200 0.084 0.000 3.916 870 E HA -0.292 4.053 4.350 -0.007 0.000 0.331 870 E C 0.611 177.275 176.600 0.107 0.000 0.729 870 E CA 1.496 57.961 56.400 0.108 0.000 1.222 870 E CB -1.092 28.654 29.700 0.077 0.000 1.633 870 E HN 0.862 nan 8.360 nan 0.000 0.437 871 D N -1.234 119.240 120.400 0.122 0.000 2.563 871 D HA 0.212 4.848 4.640 -0.007 0.000 0.256 871 D C 0.963 177.363 176.300 0.166 0.000 1.400 871 D CA 0.307 54.391 54.000 0.140 0.000 0.800 871 D CB -0.148 40.729 40.800 0.128 0.000 1.145 871 D HN 0.212 nan 8.370 nan 0.000 0.501 872 G N 0.940 109.860 108.800 0.201 0.000 2.416 872 G HA2 -0.308 3.648 3.960 -0.007 0.000 0.301 872 G HA3 -0.308 3.648 3.960 -0.007 0.000 0.301 872 G C -0.118 174.893 174.900 0.184 0.000 0.985 872 G CA 0.785 46.016 45.100 0.219 0.000 0.934 872 G HN 0.328 nan 8.290 nan 0.000 0.513 873 M N 0.692 120.409 119.600 0.197 0.000 2.294 873 M HA 0.393 4.869 4.480 -0.007 0.000 0.335 873 M C 0.015 176.426 176.300 0.185 0.000 1.079 873 M CA -2.185 53.184 55.300 0.115 0.000 0.982 873 M CB 1.535 34.158 32.600 0.039 0.000 1.651 873 M HN 0.236 nan 8.290 nan 0.000 0.437 874 D N 2.487 122.961 120.400 0.123 0.000 2.443 874 D HA 0.130 4.766 4.640 -0.007 0.000 0.239 874 D C 0.523 176.869 176.300 0.077 0.000 1.136 874 D CA 0.415 54.463 54.000 0.080 0.000 0.879 874 D CB 1.295 42.068 40.800 -0.045 0.000 1.195 874 D HN 0.742 nan 8.370 nan 0.000 0.443 875 A N 4.050 126.904 122.820 0.056 0.000 1.930 875 A HA 0.012 4.328 4.320 -0.007 0.000 0.217 875 A C 2.190 179.771 177.584 -0.005 0.000 1.175 875 A CA 1.768 53.825 52.037 0.034 0.000 0.627 875 A CB -0.807 18.191 19.000 -0.002 0.000 0.815 875 A HN 0.724 nan 8.150 nan 0.000 0.443 876 A N -1.089 121.665 122.820 -0.110 0.000 2.042 876 A HA -0.244 4.071 4.320 -0.007 0.000 0.222 876 A C 1.694 179.260 177.584 -0.030 0.000 1.167 876 A CA 1.754 53.690 52.037 -0.168 0.000 0.649 876 A CB -0.846 17.855 19.000 -0.499 0.000 0.809 876 A HN 0.615 nan 8.150 nan 0.000 0.457 877 H N -1.249 117.828 119.070 0.012 0.000 2.567 877 H HA 0.475 5.027 4.556 -0.007 0.000 0.294 877 H C -0.318 175.034 175.328 0.039 0.000 1.050 877 H CA -0.016 56.035 56.048 0.006 0.000 1.168 877 H CB -0.299 29.427 29.762 -0.060 0.000 1.422 877 H HN 0.415 nan 8.280 nan 0.000 0.562 878 I N 0.520 121.192 120.570 0.170 0.000 2.865 878 I HA 0.264 4.430 4.170 -0.007 0.000 0.302 878 I C -0.887 175.297 176.117 0.111 0.000 1.140 878 I CA -0.874 60.505 61.300 0.132 0.000 1.021 878 I CB 2.870 40.948 38.000 0.131 0.000 1.233 878 I HN 0.058 nan 8.210 nan 0.000 0.427 879 E N 2.300 122.550 120.200 0.083 0.000 2.388 879 E HA 0.290 4.636 4.350 -0.007 0.000 0.280 879 E C -1.375 175.254 176.600 0.048 0.000 1.019 879 E CA -1.264 55.162 56.400 0.044 0.000 0.806 879 E CB 1.132 30.763 29.700 -0.114 0.000 1.246 879 E HN 0.282 nan 8.360 nan 0.000 0.443 880 K N 1.756 122.178 120.400 0.038 0.000 2.323 880 K HA -0.139 4.177 4.320 -0.007 0.000 0.262 880 K C -0.700 175.890 176.600 -0.017 0.000 1.238 880 K CA 1.095 57.376 56.287 -0.010 0.000 1.249 880 K CB -0.014 32.463 32.500 -0.038 0.000 0.805 880 K HN 0.367 nan 8.250 nan 0.000 0.489 881 Q N 1.334 121.139 119.800 0.009 0.000 2.495 881 Q HA 0.402 4.738 4.340 -0.007 0.000 0.283 881 Q C -0.618 175.386 176.000 0.007 0.000 1.097 881 Q CA -1.087 54.719 55.803 0.006 0.000 0.836 881 Q CB 1.928 30.677 28.738 0.018 0.000 1.426 881 Q HN 0.670 nan 8.270 nan 0.000 0.459 882 S N -0.113 115.589 115.700 0.003 0.000 2.681 882 S HA 0.642 5.108 4.470 -0.007 0.000 0.299 882 S C -0.733 173.872 174.600 0.009 0.000 1.113 882 S CA -0.787 57.421 58.200 0.014 0.000 1.013 882 S CB 0.604 63.805 63.200 0.002 0.000 1.076 882 S HN 0.490 nan 8.310 nan 0.000 0.534 883 L N 2.455 123.679 121.223 0.002 0.000 2.277 883 L HA 0.404 4.739 4.340 -0.007 0.000 0.284 883 L C -0.247 176.604 176.870 -0.032 0.000 1.028 883 L CA -0.640 54.164 54.840 -0.059 0.000 0.835 883 L CB 1.244 43.208 42.059 -0.158 0.000 1.215 883 L HN 0.820 nan 8.230 nan 0.000 0.425 884 D N -0.922 119.473 120.400 -0.009 0.000 2.360 884 D HA -0.060 4.576 4.640 -0.007 0.000 0.210 884 D C 1.477 177.764 176.300 -0.022 0.000 1.047 884 D CA 0.125 54.133 54.000 0.014 0.000 0.854 884 D CB -0.030 40.794 40.800 0.041 0.000 0.936 884 D HN 0.366 nan 8.370 nan 0.000 0.514 885 T N 0.757 115.284 114.554 -0.045 0.000 2.803 885 T HA -0.115 4.231 4.350 -0.007 0.000 0.269 885 T C 1.836 176.565 174.700 0.049 0.000 1.052 885 T CA 0.402 62.467 62.100 -0.058 0.000 1.136 885 T CB 0.057 68.916 68.868 -0.015 0.000 0.864 885 T HN 0.115 nan 8.240 nan 0.000 0.467 886 I N 1.315 121.903 120.570 0.031 0.000 2.163 886 I HA 0.026 4.192 4.170 -0.007 0.000 0.240 886 I C 1.913 178.130 176.117 0.168 0.000 1.081 886 I CA 1.050 62.400 61.300 0.083 0.000 1.353 886 I CB -1.483 36.519 38.000 0.003 0.000 1.054 886 I HN 0.318 nan 8.210 nan 0.000 0.407 887 G N -1.259 107.617 108.800 0.126 0.000 2.641 887 G HA2 0.473 4.429 3.960 -0.007 0.000 0.239 887 G HA3 0.473 4.429 3.960 -0.007 0.000 0.239 887 G C -0.036 174.967 174.900 0.172 0.000 1.402 887 G CA 0.154 45.386 45.100 0.221 0.000 1.046 887 G HN 0.575 nan 8.290 nan 0.000 0.565 888 G N -1.102 107.798 108.800 0.166 0.000 3.222 888 G HA2 0.198 4.154 3.960 -0.007 0.000 0.685 888 G HA3 0.198 4.154 3.960 -0.007 0.000 0.685 888 G C 0.451 175.390 174.900 0.066 0.000 1.498 888 G CA 0.349 45.508 45.100 0.099 0.000 1.195 888 G HN 1.878 nan 8.290 nan 0.000 0.602 889 S N 0.389 116.109 115.700 0.033 0.000 3.449 889 S HA -0.207 4.259 4.470 -0.007 0.000 0.614 889 S C 0.969 175.565 174.600 -0.007 0.000 2.164 889 S CA 0.950 59.156 58.200 0.011 0.000 2.052 889 S CB 0.209 63.429 63.200 0.033 0.000 0.404 889 S HN 0.831 nan 8.310 nan 0.000 0.863 890 D N 0.158 120.535 120.400 -0.038 0.000 2.417 890 D HA 0.283 4.919 4.640 -0.007 0.000 0.207 890 D C 1.855 178.135 176.300 -0.033 0.000 1.075 890 D CA 0.675 54.611 54.000 -0.108 0.000 0.851 890 D CB 0.031 40.750 40.800 -0.135 0.000 0.976 890 D HN 0.520 nan 8.370 nan 0.000 0.505 891 A N 1.175 124.002 122.820 0.012 0.000 1.855 891 A HA 0.024 4.340 4.320 -0.007 0.000 0.215 891 A C 2.059 179.687 177.584 0.073 0.000 1.191 891 A CA 1.881 53.942 52.037 0.039 0.000 0.613 891 A CB -0.164 18.851 19.000 0.024 0.000 0.829 891 A HN 0.193 nan 8.150 nan 0.000 0.442 892 A N -2.270 120.598 122.820 0.081 0.000 2.390 892 A HA 0.416 4.732 4.320 -0.007 0.000 0.232 892 A C 1.580 179.224 177.584 0.100 0.000 1.233 892 A CA 0.370 52.453 52.037 0.076 0.000 0.907 892 A CB -0.433 18.597 19.000 0.049 0.000 0.967 892 A HN 0.680 nan 8.150 nan 0.000 0.512 893 F N 0.494 120.389 119.950 -0.091 0.000 2.335 893 F HA 0.049 4.572 4.527 -0.007 0.000 0.296 893 F C 1.843 177.518 175.800 -0.208 0.000 1.091 893 F CA 1.538 59.407 58.000 -0.218 0.000 1.399 893 F CB 0.171 39.017 39.000 -0.257 0.000 1.067 893 F HN 0.354 nan 8.300 nan 0.000 0.520 894 E N 1.342 121.840 120.200 0.497 0.000 2.011 894 E HA -0.154 4.192 4.350 -0.007 0.000 0.191 894 E C 1.193 177.907 176.600 0.191 0.000 0.980 894 E CA 0.598 57.263 56.400 0.442 0.000 0.814 894 E CB -0.243 29.652 29.700 0.325 0.000 0.775 894 E HN 0.262 nan 8.360 nan 0.000 0.454 895 K N 0.331 120.787 120.400 0.093 0.000 3.124 895 K HA -0.215 4.100 4.320 -0.007 0.000 0.211 895 K C 1.085 177.721 176.600 0.059 0.000 0.722 895 K CA 0.565 56.873 56.287 0.036 0.000 0.884 895 K CB -0.151 32.372 32.500 0.038 0.000 0.741 895 K HN 0.135 nan 8.250 nan 0.000 0.437 896 R N -2.429 118.134 120.500 0.104 0.000 2.535 896 R HA 0.005 4.341 4.340 -0.007 0.000 0.050 896 R C -0.008 176.473 176.300 0.302 0.000 0.816 896 R CA 0.283 56.468 56.100 0.143 0.000 2.949 896 R CB 0.379 30.746 30.300 0.111 0.000 1.256 896 R HN 0.154 nan 8.270 nan 0.000 0.520 897 Y N 1.064 121.253 120.300 -0.184 0.000 2.636 897 Y HA 0.388 4.933 4.550 -0.007 0.000 0.260 897 Y C 0.402 176.384 175.900 0.137 0.000 1.177 897 Y CA -0.701 57.293 58.100 -0.177 0.000 1.209 897 Y CB 0.056 38.255 38.460 -0.436 0.000 1.166 897 Y HN -0.266 nan 8.280 nan 0.000 0.531 898 R N 1.627 122.393 120.500 0.443 0.000 2.325 898 R HA 0.459 4.795 4.340 -0.007 0.000 0.323 898 R C -1.503 174.905 176.300 0.180 0.000 1.177 898 R CA -0.469 55.920 56.100 0.482 0.000 1.018 898 R CB -0.582 29.866 30.300 0.246 0.000 1.070 898 R HN -0.014 nan 8.270 nan 0.000 0.495 899 V N 4.596 124.600 119.914 0.151 0.000 2.655 899 V HA 0.294 4.410 4.120 -0.007 0.000 0.301 899 V C -1.145 174.961 176.094 0.020 0.000 1.082 899 V CA -0.893 61.444 62.300 0.061 0.000 0.899 899 V CB 2.221 34.078 31.823 0.056 0.000 1.014 899 V HN 0.621 nan 8.190 nan 0.000 0.429 900 D N 3.343 123.754 120.400 0.018 0.000 2.646 900 D HA 0.647 5.282 4.640 -0.007 0.000 0.245 900 D C 0.080 176.400 176.300 0.033 0.000 1.099 900 D CA -0.263 53.748 54.000 0.018 0.000 0.849 900 D CB 2.386 43.223 40.800 0.062 0.000 1.448 900 D HN 0.293 nan 8.370 nan 0.000 0.489 901 L N 1.503 122.732 121.223 0.010 0.000 2.611 901 L HA 0.363 4.698 4.340 -0.007 0.000 0.187 901 L C 0.159 177.026 176.870 -0.006 0.000 1.334 901 L CA -0.690 54.150 54.840 0.000 0.000 2.722 901 L CB -0.598 41.457 42.059 -0.008 0.000 2.570 901 L HN 0.356 nan 8.230 nan 0.000 1.073 902 L N 1.977 123.192 121.223 -0.013 0.000 3.819 902 L HA -0.207 4.129 4.340 -0.007 0.000 0.439 902 L C -0.126 176.729 176.870 -0.025 0.000 0.914 902 L CA 0.521 55.349 54.840 -0.019 0.000 0.756 902 L CB -1.392 40.655 42.059 -0.019 0.000 1.225 902 L HN 0.666 nan 8.230 nan 0.000 0.806 903 N N -0.529 118.151 118.700 -0.034 0.000 3.247 903 N HA -0.139 4.596 4.740 -0.007 0.000 0.220 903 N C 0.579 176.065 175.510 -0.040 0.000 1.027 903 N CA 0.852 53.870 53.050 -0.055 0.000 0.997 903 N CB -0.850 37.594 38.487 -0.072 0.000 1.074 903 N HN 0.854 nan 8.380 nan 0.000 0.523 904 T N -0.122 114.417 114.554 -0.025 0.000 1.686 904 T HA -0.383 3.963 4.350 -0.007 0.000 0.077 904 T C 1.165 175.837 174.700 -0.046 0.000 1.860 904 T CA 2.185 64.268 62.100 -0.028 0.000 0.751 904 T CB -0.924 67.923 68.868 -0.035 0.000 0.792 904 T HN 0.553 nan 8.240 nan 0.000 0.382 905 D N 0.263 120.616 120.400 -0.077 0.000 4.269 905 D HA -0.226 4.410 4.640 -0.007 0.000 0.343 905 D C 1.374 177.670 176.300 -0.007 0.000 1.351 905 D CA 2.409 56.353 54.000 -0.093 0.000 1.052 905 D CB -0.362 40.342 40.800 -0.159 0.000 0.912 905 D HN 0.701 nan 8.370 nan 0.000 0.642 906 H N -0.497 118.571 119.070 -0.003 0.000 2.612 906 H HA 0.214 4.766 4.556 -0.007 0.000 0.285 906 H C 0.423 175.748 175.328 -0.004 0.000 1.066 906 H CA 0.728 56.776 56.048 -0.000 0.000 1.180 906 H CB -1.211 28.549 29.762 -0.004 0.000 1.312 906 H HN 0.185 nan 8.280 nan 0.000 0.606 907 T N -1.048 113.554 114.554 0.080 0.000 2.880 907 T HA 0.286 4.632 4.350 -0.007 0.000 0.279 907 T C 1.024 175.747 174.700 0.038 0.000 0.990 907 T CA -1.043 61.088 62.100 0.051 0.000 0.938 907 T CB 1.372 70.252 68.868 0.020 0.000 1.206 907 T HN 0.067 nan 8.240 nan 0.000 0.573 908 L N 2.205 123.439 121.223 0.018 0.000 2.449 908 L HA 0.058 4.394 4.340 -0.007 0.000 0.266 908 L C 0.816 177.686 176.870 -0.000 0.000 1.321 908 L CA 0.037 54.878 54.840 0.002 0.000 1.194 908 L CB -1.350 40.702 42.059 -0.011 0.000 1.384 908 L HN 0.762 nan 8.230 nan 0.000 0.438 909 D N 3.912 124.315 120.400 0.005 0.000 2.120 909 D HA -0.172 4.464 4.640 -0.007 0.000 0.225 909 D C -1.793 174.504 176.300 -0.006 0.000 1.419 909 D CA 0.332 54.333 54.000 0.002 0.000 0.893 909 D CB 0.586 41.390 40.800 0.006 0.000 1.377 909 D HN 0.272 nan 8.370 nan 0.000 0.578 910 P HA 0.186 nan 4.420 nan 0.000 0.300 910 P C 0.177 177.471 177.300 -0.010 0.000 1.397 910 P CA -0.125 62.969 63.100 -0.010 0.000 1.127 910 P CB 0.781 32.475 31.700 -0.009 0.000 1.572 911 S N -0.578 115.119 115.700 -0.006 0.000 2.436 911 S HA 0.038 4.503 4.470 -0.007 0.000 0.228 911 S C 1.311 175.906 174.600 -0.008 0.000 1.014 911 S CA 0.764 58.963 58.200 -0.003 0.000 0.950 911 S CB -0.659 62.544 63.200 0.005 0.000 0.784 911 S HN -0.046 nan 8.310 nan 0.000 0.504 912 L N 0.316 121.531 121.223 -0.013 0.000 2.496 912 L HA 0.386 4.722 4.340 -0.007 0.000 0.189 912 L C 0.947 177.797 176.870 -0.032 0.000 1.308 912 L CA -0.503 54.324 54.840 -0.022 0.000 0.912 912 L CB -0.679 41.366 42.059 -0.022 0.000 1.148 912 L HN 0.256 nan 8.230 nan 0.000 0.537 913 L N 1.296 122.496 121.223 -0.038 0.000 2.482 913 L HA -0.065 4.271 4.340 -0.007 0.000 0.273 913 L C 1.324 178.174 176.870 -0.033 0.000 1.228 913 L CA 0.850 55.664 54.840 -0.044 0.000 0.827 913 L CB 0.607 42.639 42.059 -0.046 0.000 1.099 913 L HN 0.351 nan 8.230 nan 0.000 0.494 914 E N 0.808 120.987 120.200 -0.036 0.000 2.031 914 E HA -0.122 4.224 4.350 -0.007 0.000 0.193 914 E C 0.826 177.409 176.600 -0.029 0.000 0.994 914 E CA 1.319 57.701 56.400 -0.031 0.000 0.800 914 E CB 0.139 29.819 29.700 -0.034 0.000 0.752 914 E HN 0.742 nan 8.360 nan 0.000 0.447 915 S N 1.120 116.799 115.700 -0.035 0.000 3.844 915 S HA 0.055 4.521 4.470 -0.007 0.000 0.193 915 S C 0.982 175.566 174.600 -0.027 0.000 1.255 915 S CA 0.042 58.224 58.200 -0.031 0.000 1.028 915 S CB -0.284 62.895 63.200 -0.036 0.000 1.436 915 S HN 0.456 nan 8.310 nan 0.000 0.442 916 G N 2.739 111.525 108.800 -0.023 0.000 2.838 916 G HA2 -0.234 3.722 3.960 -0.007 0.000 0.215 916 G HA3 -0.234 3.722 3.960 -0.007 0.000 0.215 916 G C 0.847 175.738 174.900 -0.016 0.000 1.327 916 G CA 1.037 46.126 45.100 -0.019 0.000 0.802 916 G HN 0.763 nan 8.290 nan 0.000 0.658 917 S N 0.264 115.955 115.700 -0.015 0.000 2.457 917 S HA 0.422 4.887 4.470 -0.007 0.000 0.237 917 S C -0.045 174.546 174.600 -0.014 0.000 1.213 917 S CA 0.040 58.231 58.200 -0.013 0.000 1.218 917 S CB 0.839 64.032 63.200 -0.011 0.000 0.922 917 S HN 0.652 nan 8.310 nan 0.000 0.488 918 E N 0.847 121.037 120.200 -0.017 0.000 3.105 918 E HA 0.428 4.774 4.350 -0.007 0.000 0.219 918 E C 0.438 177.027 176.600 -0.018 0.000 1.064 918 E CA -0.542 55.848 56.400 -0.016 0.000 1.342 918 E CB -0.073 29.617 29.700 -0.016 0.000 1.295 918 E HN 0.429 nan 8.360 nan 0.000 0.438 919 I N -1.091 119.469 120.570 -0.017 0.000 5.119 919 I HA 0.100 4.266 4.170 -0.007 0.000 0.327 919 I C 0.819 176.927 176.117 -0.015 0.000 1.185 919 I CA -0.443 60.847 61.300 -0.017 0.000 1.452 919 I CB -0.667 37.322 38.000 -0.020 0.000 1.617 919 I HN 0.260 nan 8.210 nan 0.000 0.531 920 L N 3.121 124.336 121.223 -0.014 0.000 3.155 920 L HA -0.097 4.239 4.340 -0.007 0.000 0.368 920 L C 1.520 178.382 176.870 -0.013 0.000 1.206 920 L CA 1.924 56.757 54.840 -0.012 0.000 0.807 920 L CB 0.074 42.125 42.059 -0.012 0.000 1.097 920 L HN 0.709 nan 8.230 nan 0.000 0.623 921 G N 2.329 111.121 108.800 -0.013 0.000 5.229 921 G HA2 -0.414 3.542 3.960 -0.007 0.000 0.250 921 G HA3 -0.414 3.542 3.960 -0.007 0.000 0.250 921 G C 0.321 175.213 174.900 -0.014 0.000 1.380 921 G CA 0.444 45.535 45.100 -0.014 0.000 0.933 921 G HN 1.107 nan 8.290 nan 0.000 0.731 922 D N -0.367 120.025 120.400 -0.014 0.000 4.507 922 D HA -0.161 4.475 4.640 -0.007 0.000 0.297 922 D C 1.066 177.357 176.300 -0.014 0.000 2.430 922 D CA 1.821 55.812 54.000 -0.014 0.000 0.948 922 D CB -0.514 40.276 40.800 -0.016 0.000 1.135 922 D HN 0.753 nan 8.370 nan 0.000 1.270 923 L N -0.326 120.889 121.223 -0.013 0.000 3.923 923 L HA 0.101 4.437 4.340 -0.007 0.000 0.374 923 L C 1.008 177.871 176.870 -0.012 0.000 1.137 923 L CA -0.165 54.667 54.840 -0.012 0.000 1.351 923 L CB 0.262 42.314 42.059 -0.012 0.000 1.720 923 L HN 0.160 nan 8.230 nan 0.000 0.634 924 K N 0.461 120.854 120.400 -0.012 0.000 2.520 924 K HA 0.297 4.613 4.320 -0.007 0.000 0.205 924 K C 1.105 177.699 176.600 -0.011 0.000 1.035 924 K CA 0.265 56.545 56.287 -0.011 0.000 1.188 924 K CB 0.384 32.877 32.500 -0.011 0.000 0.894 924 K HN 0.210 nan 8.250 nan 0.000 0.497 925 L N -1.089 120.127 121.223 -0.012 0.000 2.614 925 L HA 0.072 4.407 4.340 -0.007 0.000 0.185 925 L C 1.773 178.638 176.870 -0.009 0.000 1.098 925 L CA -0.169 54.664 54.840 -0.012 0.000 0.852 925 L CB -0.400 41.650 42.059 -0.016 0.000 1.213 925 L HN 0.072 nan 8.230 nan 0.000 0.491 926 Q N 0.709 120.502 119.800 -0.011 0.000 2.389 926 Q HA -0.184 4.152 4.340 -0.007 0.000 0.213 926 Q C 2.116 178.109 176.000 -0.010 0.000 0.989 926 Q CA 1.193 56.989 55.803 -0.012 0.000 0.891 926 Q CB -0.426 28.303 28.738 -0.015 0.000 0.923 926 Q HN 0.312 nan 8.270 nan 0.000 0.455 927 V N 0.289 120.198 119.914 -0.008 0.000 2.237 927 V HA -0.278 3.838 4.120 -0.007 0.000 0.245 927 V C 2.310 178.407 176.094 0.004 0.000 1.046 927 V CA 1.578 63.876 62.300 -0.003 0.000 1.007 927 V CB -0.351 31.470 31.823 -0.004 0.000 0.638 927 V HN 0.292 nan 8.190 nan 0.000 0.445 928 L N -1.209 120.015 121.223 0.001 0.000 1.988 928 L HA -0.145 4.191 4.340 -0.007 0.000 0.207 928 L C 2.424 179.307 176.870 0.021 0.000 1.071 928 L CA 1.249 56.094 54.840 0.008 0.000 0.744 928 L CB -0.693 41.365 42.059 -0.001 0.000 0.893 928 L HN 0.256 nan 8.230 nan 0.000 0.433 929 L N -0.107 121.126 121.223 0.016 0.000 2.195 929 L HA -0.396 3.939 4.340 -0.007 0.000 0.225 929 L C 2.207 179.124 176.870 0.079 0.000 1.096 929 L CA 1.841 56.705 54.840 0.039 0.000 0.814 929 L CB -1.056 41.016 42.059 0.021 0.000 0.901 929 L HN 0.454 nan 8.230 nan 0.000 0.446 930 D N -0.707 119.720 120.400 0.046 0.000 2.087 930 D HA -0.171 4.465 4.640 -0.007 0.000 0.203 930 D C 1.780 178.128 176.300 0.080 0.000 0.976 930 D CA 1.071 55.101 54.000 0.050 0.000 0.865 930 D CB -0.270 40.535 40.800 0.008 0.000 1.005 930 D HN 0.169 nan 8.370 nan 0.000 0.449 931 E N 1.220 121.451 120.200 0.052 0.000 2.485 931 E HA -0.321 4.025 4.350 -0.007 0.000 0.251 931 E C 1.741 178.386 176.600 0.075 0.000 1.042 931 E CA 2.122 58.553 56.400 0.052 0.000 1.158 931 E CB -0.439 29.280 29.700 0.033 0.000 1.065 931 E HN 0.307 nan 8.360 nan 0.000 0.502 932 E N -1.189 119.058 120.200 0.077 0.000 2.037 932 E HA -0.271 4.075 4.350 -0.007 0.000 0.214 932 E C 2.124 178.821 176.600 0.161 0.000 1.041 932 E CA 1.880 58.335 56.400 0.091 0.000 0.872 932 E CB -0.633 29.123 29.700 0.093 0.000 0.785 932 E HN 0.509 nan 8.360 nan 0.000 0.476 933 Y N 1.033 121.370 120.300 0.062 0.000 2.651 933 Y HA -0.215 4.330 4.550 -0.007 0.000 0.293 933 Y C 2.165 178.128 175.900 0.105 0.000 1.151 933 Y CA 1.210 59.374 58.100 0.106 0.000 1.362 933 Y CB 0.111 38.632 38.460 0.101 0.000 0.973 933 Y HN -0.005 nan 8.280 nan 0.000 0.561 934 K N 0.122 120.685 120.400 0.271 0.000 1.974 934 K HA -0.211 4.105 4.320 -0.007 0.000 0.211 934 K C 2.188 178.860 176.600 0.120 0.000 1.039 934 K CA 1.637 58.036 56.287 0.187 0.000 0.947 934 K CB -0.485 32.077 32.500 0.104 0.000 0.735 934 K HN 0.251 nan 8.250 nan 0.000 0.441 935 Q N 0.798 120.649 119.800 0.085 0.000 2.118 935 Q HA -0.199 4.136 4.340 -0.007 0.000 0.211 935 Q C 1.750 177.770 176.000 0.032 0.000 0.998 935 Q CA 2.355 58.184 55.803 0.043 0.000 0.872 935 Q CB -0.447 28.309 28.738 0.030 0.000 0.925 935 Q HN 0.401 nan 8.270 nan 0.000 0.414 936 L N -0.311 120.936 121.223 0.039 0.000 2.261 936 L HA -0.161 4.175 4.340 -0.007 0.000 0.216 936 L C 2.251 179.175 176.870 0.090 0.000 1.114 936 L CA 0.732 55.590 54.840 0.029 0.000 0.777 936 L CB -0.709 41.330 42.059 -0.033 0.000 0.910 936 L HN 0.167 nan 8.230 nan 0.000 0.440 937 V N -0.454 119.490 119.914 0.050 0.000 2.283 937 V HA -0.214 3.902 4.120 -0.007 0.000 0.243 937 V C 2.495 178.594 176.094 0.008 0.000 1.039 937 V CA 1.380 63.677 62.300 -0.004 0.000 1.016 937 V CB -0.632 31.159 31.823 -0.053 0.000 0.650 937 V HN 0.373 nan 8.190 nan 0.000 0.449 938 K N 0.200 120.617 120.400 0.028 0.000 2.148 938 K HA -0.316 4.000 4.320 -0.007 0.000 0.213 938 K C 1.767 178.408 176.600 0.068 0.000 1.050 938 K CA 2.303 58.616 56.287 0.043 0.000 0.932 938 K CB -0.660 31.856 32.500 0.027 0.000 0.717 938 K HN 0.527 nan 8.250 nan 0.000 0.462 939 D N 0.013 120.424 120.400 0.018 0.000 2.077 939 D HA -0.084 4.552 4.640 -0.007 0.000 0.197 939 D C 1.974 178.312 176.300 0.064 0.000 0.983 939 D CA 0.635 54.627 54.000 -0.014 0.000 0.841 939 D CB -0.381 40.366 40.800 -0.089 0.000 0.992 939 D HN 0.103 nan 8.370 nan 0.000 0.450 940 R N 0.618 121.158 120.500 0.066 0.000 2.190 940 R HA -0.269 4.066 4.340 -0.007 0.000 0.255 940 R C 2.108 178.449 176.300 0.068 0.000 1.143 940 R CA 1.898 58.037 56.100 0.064 0.000 0.965 940 R CB -0.120 30.172 30.300 -0.012 0.000 0.889 940 R HN 0.107 nan 8.270 nan 0.000 0.448 941 K N -0.675 119.762 120.400 0.062 0.000 1.974 941 K HA -0.118 4.198 4.320 -0.007 0.000 0.211 941 K C 1.838 178.537 176.600 0.166 0.000 1.039 941 K CA 1.481 57.812 56.287 0.074 0.000 0.947 941 K CB -0.465 32.052 32.500 0.029 0.000 0.735 941 K HN 0.058 nan 8.250 nan 0.000 0.441 942 F N 1.671 121.616 119.950 -0.008 0.000 2.065 942 F HA -0.419 4.103 4.527 -0.007 0.000 0.288 942 F C 1.497 177.305 175.800 0.014 0.000 1.063 942 F CA 2.006 60.004 58.000 -0.004 0.000 1.285 942 F CB -0.181 38.815 39.000 -0.006 0.000 0.980 942 F HN 0.047 nan 8.300 nan 0.000 0.493 943 L N -0.910 120.611 121.223 0.497 0.000 2.084 943 L HA -0.061 4.275 4.340 -0.007 0.000 0.202 943 L C 2.380 179.370 176.870 0.201 0.000 1.074 943 L CA 1.160 56.208 54.840 0.346 0.000 0.757 943 L CB -1.002 41.163 42.059 0.177 0.000 0.918 943 L HN -0.075 nan 8.230 nan 0.000 0.444 944 R N 0.521 121.119 120.500 0.164 0.000 2.211 944 R HA -0.211 4.125 4.340 -0.007 0.000 0.240 944 R C 2.046 178.394 176.300 0.080 0.000 1.144 944 R CA 1.303 57.503 56.100 0.167 0.000 0.992 944 R CB -0.369 30.065 30.300 0.224 0.000 0.869 944 R HN 0.383 nan 8.270 nan 0.000 0.462 945 E N 0.055 120.262 120.200 0.012 0.000 2.007 945 E HA -0.208 4.138 4.350 -0.007 0.000 0.203 945 E C 1.854 178.378 176.600 -0.126 0.000 1.020 945 E CA 1.916 58.256 56.400 -0.100 0.000 0.845 945 E CB -0.131 29.427 29.700 -0.238 0.000 0.779 945 E HN 0.038 nan 8.360 nan 0.000 0.466 946 V N -0.241 119.596 119.914 -0.129 0.000 2.261 946 V HA -0.180 3.936 4.120 -0.007 0.000 0.246 946 V C 0.731 176.555 176.094 -0.450 0.000 1.047 946 V CA 1.348 63.481 62.300 -0.278 0.000 1.015 946 V CB -0.334 31.341 31.823 -0.248 0.000 0.642 946 V HN 0.196 nan 8.190 nan 0.000 0.446 947 F N -0.011 119.818 119.950 -0.202 0.000 2.467 947 F HA 0.320 4.842 4.527 -0.007 0.000 0.349 947 F C 1.063 176.801 175.800 -0.103 0.000 1.182 947 F CA -0.369 57.508 58.000 -0.205 0.000 1.279 947 F CB 0.229 39.059 39.000 -0.283 0.000 1.626 947 F HN -0.170 nan 8.300 nan 0.000 0.596 948 V N 0.014 119.889 119.914 -0.065 0.000 2.626 948 V HA -0.249 3.867 4.120 -0.007 0.000 0.252 948 V C 1.644 177.760 176.094 0.037 0.000 1.067 948 V CA 1.322 63.625 62.300 0.005 0.000 1.081 948 V CB -0.445 31.350 31.823 -0.047 0.000 0.686 948 V HN 0.474 nan 8.190 nan 0.000 0.468 949 D N 1.258 121.655 120.400 -0.005 0.000 2.347 949 D HA -0.172 4.464 4.640 -0.007 0.000 0.208 949 D C 1.869 178.102 176.300 -0.112 0.000 0.994 949 D CA 1.570 55.569 54.000 -0.003 0.000 0.924 949 D CB -0.660 40.196 40.800 0.093 0.000 0.892 949 D HN 0.636 nan 8.370 nan 0.000 0.471 950 G N 0.737 109.388 108.800 -0.249 0.000 2.305 950 G HA2 -0.327 3.629 3.960 -0.007 0.000 0.287 950 G HA3 -0.327 3.629 3.960 -0.007 0.000 0.287 950 G C -0.024 174.588 174.900 -0.480 0.000 1.036 950 G CA 0.622 45.061 45.100 -1.102 0.000 0.887 950 G HN 0.389 nan 8.290 nan 0.000 0.505 951 E N -0.886 119.299 120.200 -0.026 0.000 2.210 951 E HA 0.763 5.109 4.350 -0.007 0.000 0.266 951 E C 0.512 177.377 176.600 0.442 0.000 0.883 951 E CA -0.024 56.492 56.400 0.193 0.000 0.761 951 E CB 1.245 31.108 29.700 0.272 0.000 1.156 951 E HN 0.534 nan 8.360 nan 0.000 0.412 952 A N 4.467 127.446 122.820 0.265 0.000 2.390 952 A HA 0.245 4.561 4.320 -0.007 0.000 0.232 952 A C -0.190 177.534 177.584 0.234 0.000 1.233 952 A CA -0.305 51.837 52.037 0.175 0.000 0.907 952 A CB 0.053 19.071 19.000 0.030 0.000 0.967 952 A HN 0.443 nan 8.150 nan 0.000 0.512 953 N N 0.146 118.888 118.700 0.070 0.000 2.626 953 N HA 0.409 5.144 4.740 -0.007 0.000 0.249 953 N C -1.730 173.171 175.510 -1.016 0.000 1.021 953 N CA -0.015 52.875 53.050 -0.265 0.000 0.886 953 N CB 0.691 39.001 38.487 -0.294 0.000 1.149 953 N HN 0.411 nan 8.380 nan 0.000 0.517 954 W N 1.581 122.842 121.300 -0.064 0.000 2.902 954 W HA 0.517 5.172 4.660 -0.007 0.000 0.346 954 W C -2.151 174.391 176.519 0.039 0.000 1.139 954 W CA -1.748 55.596 57.345 -0.001 0.000 1.139 954 W CB 0.603 30.042 29.460 -0.036 0.000 1.439 954 W HN 0.215 nan 8.180 nan 0.000 0.558 955 P HA 0.376 nan 4.420 nan 0.000 0.276 955 P C -0.968 176.483 177.300 0.253 0.000 1.230 955 P CA 0.189 63.424 63.100 0.225 0.000 0.776 955 P CB 0.892 32.777 31.700 0.308 0.000 0.888 956 L N 4.032 125.371 121.223 0.193 0.000 2.545 956 L HA 0.418 4.754 4.340 -0.007 0.000 0.258 956 L C -2.634 174.344 176.870 0.180 0.000 0.942 956 L CA -2.392 52.571 54.840 0.204 0.000 0.855 956 L CB 2.875 45.062 42.059 0.215 0.000 1.374 956 L HN 0.115 nan 8.230 nan 0.000 0.411 957 P HA 0.221 nan 4.420 nan 0.000 0.272 957 P C -0.791 176.547 177.300 0.064 0.000 1.230 957 P CA -0.015 63.068 63.100 -0.028 0.000 0.788 957 P CB 0.690 32.181 31.700 -0.347 0.000 0.949 958 V N -0.315 119.571 119.914 -0.046 0.000 3.688 958 V HA -0.235 3.881 4.120 -0.007 0.000 0.524 958 V C 0.299 176.467 176.094 0.124 0.000 0.682 958 V CA 0.474 62.798 62.300 0.041 0.000 2.081 958 V CB -0.888 31.002 31.823 0.110 0.000 2.490 958 V HN 0.916 nan 8.190 nan 0.000 0.515 959 N N 4.515 123.251 118.700 0.060 0.000 2.444 959 N HA 0.441 5.177 4.740 -0.007 0.000 0.262 959 N C 0.402 175.930 175.510 0.029 0.000 0.974 959 N CA -0.527 52.550 53.050 0.046 0.000 0.933 959 N CB 1.492 39.986 38.487 0.011 0.000 1.137 959 N HN 0.653 nan 8.380 nan 0.000 0.498 960 I N 2.898 123.486 120.570 0.030 0.000 3.228 960 I HA 0.068 4.234 4.170 -0.007 0.000 0.279 960 I C 2.247 178.333 176.117 -0.052 0.000 1.221 960 I CA 0.058 61.353 61.300 -0.008 0.000 1.458 960 I CB 0.030 38.027 38.000 -0.005 0.000 1.105 960 I HN 0.500 nan 8.210 nan 0.000 0.445 961 R N 0.767 121.242 120.500 -0.041 0.000 2.261 961 R HA -0.177 4.159 4.340 -0.007 0.000 0.236 961 R C 2.176 178.424 176.300 -0.087 0.000 1.141 961 R CA 1.363 57.418 56.100 -0.075 0.000 1.001 961 R CB -0.027 30.245 30.300 -0.046 0.000 0.866 961 R HN 0.261 nan 8.270 nan 0.000 0.468 962 R N -0.362 120.107 120.500 -0.053 0.000 2.048 962 R HA 0.123 4.459 4.340 -0.007 0.000 0.221 962 R C 2.124 178.396 176.300 -0.047 0.000 1.174 962 R CA 1.018 57.093 56.100 -0.040 0.000 0.971 962 R CB -0.211 30.090 30.300 0.001 0.000 0.863 962 R HN 0.102 nan 8.270 nan 0.000 0.439 963 I N 1.296 121.838 120.570 -0.048 0.000 2.285 963 I HA -0.389 3.777 4.170 -0.007 0.000 0.254 963 I C 2.123 178.242 176.117 0.003 0.000 1.093 963 I CA 1.114 62.380 61.300 -0.056 0.000 1.368 963 I CB -0.253 37.659 38.000 -0.147 0.000 1.054 963 I HN 0.327 nan 8.210 nan 0.000 0.435 964 I N 0.445 120.959 120.570 -0.092 0.000 2.163 964 I HA -0.274 3.892 4.170 -0.007 0.000 0.240 964 I C 2.520 178.610 176.117 -0.044 0.000 1.081 964 I CA 1.700 62.932 61.300 -0.113 0.000 1.353 964 I CB -0.904 36.839 38.000 -0.428 0.000 1.054 964 I HN 0.381 nan 8.210 nan 0.000 0.407 965 Q N 0.142 119.866 119.800 -0.128 0.000 2.248 965 Q HA -0.213 4.123 4.340 -0.007 0.000 0.208 965 Q C 1.346 177.210 176.000 -0.226 0.000 0.984 965 Q CA 1.181 56.871 55.803 -0.187 0.000 0.875 965 Q CB -0.245 28.343 28.738 -0.250 0.000 0.910 965 Q HN 0.506 nan 8.270 nan 0.000 0.433 966 N N -1.080 117.584 118.700 -0.060 0.000 2.449 966 N HA 0.075 4.811 4.740 -0.007 0.000 0.191 966 N C 0.494 176.175 175.510 0.286 0.000 1.161 966 N CA 0.635 53.752 53.050 0.111 0.000 0.863 966 N CB 0.742 39.377 38.487 0.246 0.000 0.980 966 N HN 0.228 nan 8.380 nan 0.000 0.458 967 A N 0.395 123.366 122.820 0.251 0.000 1.917 967 A HA -0.025 4.291 4.320 -0.007 0.000 0.200 967 A C 1.787 179.481 177.584 0.183 0.000 1.671 967 A CA -0.126 52.069 52.037 0.263 0.000 1.034 967 A CB -0.206 19.069 19.000 0.458 0.000 1.057 967 A HN 0.226 nan 8.150 nan 0.000 0.507 968 Q N 0.393 120.244 119.800 0.085 0.000 2.522 968 Q HA -0.241 4.095 4.340 -0.007 0.000 0.216 968 Q C 1.226 177.246 176.000 0.034 0.000 0.986 968 Q CA 1.865 57.710 55.803 0.071 0.000 0.901 968 Q CB -0.256 28.543 28.738 0.102 0.000 0.954 968 Q HN 0.691 nan 8.270 nan 0.000 0.502 969 Q N -0.489 119.284 119.800 -0.046 0.000 2.189 969 Q HA 0.175 4.511 4.340 -0.007 0.000 0.223 969 Q C 0.467 176.336 176.000 -0.218 0.000 0.828 969 Q CA 0.431 56.165 55.803 -0.115 0.000 0.967 969 Q CB 0.134 28.816 28.738 -0.094 0.000 1.139 969 Q HN 0.106 nan 8.270 nan 0.000 0.497 970 T N 0.257 114.680 114.554 -0.220 0.000 3.144 970 T HA 0.287 4.633 4.350 -0.007 0.000 0.249 970 T C -0.660 173.568 174.700 -0.787 0.000 1.089 970 T CA 0.311 62.057 62.100 -0.590 0.000 0.989 970 T CB -0.180 67.890 68.868 -1.330 0.000 0.992 970 T HN 0.348 nan 8.240 nan 0.000 0.540 971 F N -0.949 118.883 119.950 -0.198 0.000 2.988 971 F HA 0.301 4.824 4.527 -0.007 0.000 0.333 971 F C 0.509 176.296 175.800 -0.022 0.000 1.243 971 F CA -0.952 56.975 58.000 -0.122 0.000 1.041 971 F CB -0.163 38.745 39.000 -0.152 0.000 1.354 971 F HN 0.034 nan 8.300 nan 0.000 0.505 972 H N 1.168 120.286 119.070 0.081 0.000 2.379 972 H HA -0.188 4.364 4.556 -0.007 0.000 0.326 972 H C 0.440 175.803 175.328 0.058 0.000 1.005 972 H CA 0.380 56.458 56.048 0.051 0.000 1.114 972 H CB -0.875 28.896 29.762 0.016 0.000 1.505 972 H HN 0.185 nan 8.280 nan 0.000 0.391 973 I N 2.720 123.372 120.570 0.136 0.000 3.015 973 I HA -0.191 3.975 4.170 -0.007 0.000 0.309 973 I C 0.649 176.780 176.117 0.024 0.000 1.229 973 I CA 0.598 61.930 61.300 0.053 0.000 1.430 973 I CB 0.246 38.254 38.000 0.013 0.000 1.347 973 I HN 0.192 nan 8.210 nan 0.000 0.544 974 D N 6.751 127.135 120.400 -0.025 0.000 2.359 974 D HA 0.099 4.735 4.640 -0.007 0.000 0.230 974 D C 0.283 176.547 176.300 -0.059 0.000 1.118 974 D CA -0.361 53.639 54.000 0.000 0.000 0.844 974 D CB 0.424 41.246 40.800 0.037 0.000 1.059 974 D HN 0.489 nan 8.370 nan 0.000 0.493 975 H N 1.417 120.512 119.070 0.040 0.000 2.933 975 H HA 0.065 4.617 4.556 -0.007 0.000 0.306 975 H C 0.933 176.279 175.328 0.029 0.000 1.142 975 H CA 0.540 56.611 56.048 0.038 0.000 1.193 975 H CB 0.058 29.848 29.762 0.047 0.000 1.330 975 H HN 0.709 nan 8.280 nan 0.000 0.585 976 T N -2.627 111.979 114.554 0.086 0.000 3.714 976 T HA 0.049 4.395 4.350 -0.007 0.000 0.244 976 T C 0.074 174.786 174.700 0.021 0.000 0.900 976 T CA -0.432 61.698 62.100 0.050 0.000 1.114 976 T CB 0.454 69.354 68.868 0.054 0.000 1.072 976 T HN 0.042 nan 8.240 nan 0.000 0.379 977 K N 4.403 124.808 120.400 0.009 0.000 2.312 977 K HA 0.473 4.789 4.320 -0.007 0.000 0.287 977 K C -2.120 174.469 176.600 -0.019 0.000 1.062 977 K CA -1.818 54.467 56.287 -0.004 0.000 0.934 977 K CB 1.268 33.767 32.500 -0.001 0.000 1.027 977 K HN 0.461 nan 8.250 nan 0.000 0.478 978 P HA -0.055 nan 4.420 nan 0.000 0.274 978 P C 0.160 177.438 177.300 -0.037 0.000 1.264 978 P CA -0.224 62.859 63.100 -0.029 0.000 0.795 978 P CB 1.026 32.712 31.700 -0.025 0.000 1.064 979 S N -0.861 114.813 115.700 -0.043 0.000 2.375 979 S HA -0.003 4.463 4.470 -0.007 0.000 0.231 979 S C 0.791 175.361 174.600 -0.049 0.000 1.319 979 S CA 1.149 59.318 58.200 -0.051 0.000 0.983 979 S CB -0.471 62.690 63.200 -0.064 0.000 0.889 979 S HN 0.889 nan 8.310 nan 0.000 0.489 980 D N -2.029 118.335 120.400 -0.060 0.000 2.649 980 D HA 0.061 4.697 4.640 -0.007 0.000 0.507 980 D C -0.280 175.977 176.300 -0.072 0.000 1.091 980 D CA -0.071 53.896 54.000 -0.056 0.000 1.076 980 D CB -1.212 39.561 40.800 -0.044 0.000 1.647 980 D HN 0.339 nan 8.370 nan 0.000 0.356 981 L N 0.475 121.637 121.223 -0.102 0.000 2.543 981 L HA 0.667 5.003 4.340 -0.007 0.000 0.231 981 L C 0.476 177.268 176.870 -0.130 0.000 1.194 981 L CA -0.331 54.420 54.840 -0.149 0.000 0.823 981 L CB 0.700 42.610 42.059 -0.248 0.000 1.374 981 L HN -0.116 nan 8.230 nan 0.000 0.507 982 T N -0.124 114.337 114.554 -0.155 0.000 2.824 982 T HA 0.338 4.684 4.350 -0.007 0.000 0.282 982 T C 1.284 175.907 174.700 -0.129 0.000 0.993 982 T CA -0.593 61.436 62.100 -0.118 0.000 0.967 982 T CB 1.658 70.463 68.868 -0.104 0.000 0.960 982 T HN 0.301 nan 8.240 nan 0.000 0.441 983 I N 1.691 122.202 120.570 -0.097 0.000 2.450 983 I HA -0.224 3.942 4.170 -0.007 0.000 0.260 983 I C 2.126 178.189 176.117 -0.091 0.000 1.145 983 I CA 1.655 62.900 61.300 -0.091 0.000 1.413 983 I CB -0.798 37.165 38.000 -0.062 0.000 1.090 983 I HN 0.697 nan 8.210 nan 0.000 0.445 984 K N 0.131 120.481 120.400 -0.084 0.000 2.243 984 K HA -0.101 4.214 4.320 -0.007 0.000 0.201 984 K C 1.451 177.990 176.600 -0.102 0.000 1.051 984 K CA 0.563 56.806 56.287 -0.073 0.000 0.970 984 K CB 0.085 32.551 32.500 -0.057 0.000 0.755 984 K HN 0.307 nan 8.250 nan 0.000 0.465 985 D N 1.593 121.903 120.400 -0.150 0.000 2.173 985 D HA -0.198 4.438 4.640 -0.007 0.000 0.205 985 D C 1.898 178.028 176.300 -0.284 0.000 1.002 985 D CA 1.155 55.024 54.000 -0.219 0.000 0.881 985 D CB -0.674 39.954 40.800 -0.286 0.000 1.062 985 D HN 0.019 nan 8.370 nan 0.000 0.459 986 I N 0.434 120.698 120.570 -0.509 0.000 2.322 986 I HA -0.386 3.780 4.170 -0.007 0.000 0.235 986 I C 2.504 178.546 176.117 -0.125 0.000 0.967 986 I CA 1.500 62.517 61.300 -0.472 0.000 1.260 986 I CB -0.677 37.115 38.000 -0.348 0.000 0.968 986 I HN -0.054 nan 8.210 nan 0.000 0.398 987 V N 0.239 120.090 119.914 -0.104 0.000 2.231 987 V HA -0.247 3.869 4.120 -0.007 0.000 0.240 987 V C 2.306 178.392 176.094 -0.013 0.000 1.039 987 V CA 1.793 64.070 62.300 -0.038 0.000 0.998 987 V CB -0.554 31.245 31.823 -0.040 0.000 0.639 987 V HN 0.341 nan 8.190 nan 0.000 0.451 988 L N 0.441 121.651 121.223 -0.022 0.000 2.123 988 L HA -0.284 4.052 4.340 -0.007 0.000 0.217 988 L C 2.346 179.228 176.870 0.020 0.000 1.081 988 L CA 2.048 56.884 54.840 -0.006 0.000 0.772 988 L CB -0.856 41.194 42.059 -0.015 0.000 0.890 988 L HN 0.522 nan 8.230 nan 0.000 0.437 989 G N -1.739 107.085 108.800 0.041 0.000 2.454 989 G HA2 -0.194 3.762 3.960 -0.007 0.000 0.214 989 G HA3 -0.194 3.762 3.960 -0.007 0.000 0.214 989 G C 1.545 176.506 174.900 0.101 0.000 1.217 989 G CA 0.581 45.743 45.100 0.102 0.000 0.799 989 G HN 0.151 nan 8.290 nan 0.000 0.538 990 V N 1.170 121.168 119.914 0.140 0.000 2.265 990 V HA -0.370 3.746 4.120 -0.007 0.000 0.259 990 V C 2.804 178.924 176.094 0.043 0.000 1.084 990 V CA 2.961 65.317 62.300 0.094 0.000 1.076 990 V CB -0.389 31.491 31.823 0.094 0.000 0.680 990 V HN 0.496 nan 8.190 nan 0.000 0.452 991 K N -0.806 119.612 120.400 0.031 0.000 2.360 991 K HA -0.144 4.171 4.320 -0.007 0.000 0.201 991 K C 1.248 177.852 176.600 0.006 0.000 1.046 991 K CA 1.758 58.051 56.287 0.011 0.000 0.940 991 K CB -0.071 32.433 32.500 0.007 0.000 0.748 991 K HN 0.605 nan 8.250 nan 0.000 0.465 992 D N -0.794 119.616 120.400 0.016 0.000 2.563 992 D HA 0.004 4.640 4.640 -0.007 0.000 0.237 992 D C 0.839 177.138 176.300 -0.002 0.000 1.282 992 D CA 0.045 54.047 54.000 0.003 0.000 0.816 992 D CB 0.699 41.502 40.800 0.005 0.000 1.066 992 D HN 0.130 nan 8.370 nan 0.000 0.501 993 L N 0.547 121.771 121.223 0.003 0.000 2.145 993 L HA 0.094 4.430 4.340 -0.007 0.000 0.201 993 L C 2.100 178.941 176.870 -0.047 0.000 1.075 993 L CA 1.671 56.502 54.840 -0.014 0.000 0.773 993 L CB -0.574 41.485 42.059 0.001 0.000 0.936 993 L HN -0.197 nan 8.230 nan 0.000 0.451 994 Q N -0.338 119.441 119.800 -0.034 0.000 2.438 994 Q HA -0.294 4.042 4.340 -0.007 0.000 0.216 994 Q C 1.875 177.818 176.000 -0.094 0.000 0.996 994 Q CA 2.075 57.843 55.803 -0.059 0.000 0.923 994 Q CB -0.100 28.618 28.738 -0.034 0.000 0.921 994 Q HN 0.625 nan 8.270 nan 0.000 0.448 995 E N -0.973 119.182 120.200 -0.075 0.000 2.415 995 E HA -0.011 4.335 4.350 -0.007 0.000 0.197 995 E C 0.631 177.183 176.600 -0.080 0.000 1.007 995 E CA 0.282 56.642 56.400 -0.066 0.000 0.890 995 E CB 0.313 29.990 29.700 -0.039 0.000 0.891 995 E HN 0.556 nan 8.360 nan 0.000 0.496 996 N N 0.624 119.266 118.700 -0.097 0.000 2.325 996 N HA 0.030 4.766 4.740 -0.007 0.000 0.182 996 N C 2.032 177.420 175.510 -0.203 0.000 1.088 996 N CA 0.043 53.026 53.050 -0.110 0.000 0.879 996 N CB 0.351 38.790 38.487 -0.080 0.000 0.983 996 N HN 0.150 nan 8.380 nan 0.000 0.471 997 L N 0.803 121.806 121.223 -0.367 0.000 2.043 997 L HA -0.079 4.257 4.340 -0.007 0.000 0.212 997 L C 0.513 176.993 176.870 -0.650 0.000 1.075 997 L CA 0.745 55.070 54.840 -0.858 0.000 0.752 997 L CB -0.703 40.274 42.059 -1.804 0.000 0.891 997 L HN 0.141 nan 8.230 nan 0.000 0.432 998 L N 0.226 121.242 121.223 -0.345 0.000 3.181 998 L HA -0.220 4.116 4.340 -0.007 0.000 0.569 998 L C 0.586 177.496 176.870 0.068 0.000 1.002 998 L CA 0.239 55.012 54.840 -0.110 0.000 1.276 998 L CB -0.642 41.360 42.059 -0.095 0.000 1.285 998 L HN 0.076 nan 8.230 nan 0.000 0.642 999 V N 3.902 123.875 119.914 0.098 0.000 3.251 999 V HA 0.254 4.370 4.120 -0.007 0.000 0.239 999 V C 0.624 176.781 176.094 0.106 0.000 1.332 999 V CA 0.408 62.804 62.300 0.160 0.000 1.224 999 V CB 1.150 33.094 31.823 0.201 0.000 1.004 999 V HN 0.497 nan 8.190 nan 0.000 0.464 1000 L N -0.110 121.158 121.223 0.076 0.000 2.346 1000 L HA 0.502 4.838 4.340 -0.007 0.000 0.276 1000 L C 0.891 177.783 176.870 0.036 0.000 1.006 1000 L CA -0.161 54.717 54.840 0.063 0.000 0.817 1000 L CB 2.433 44.531 42.059 0.064 0.000 1.272 1000 L HN 0.002 nan 8.230 nan 0.000 0.421 1001 R N 1.789 122.310 120.500 0.034 0.000 2.064 1001 R HA 0.240 4.576 4.340 -0.007 0.000 0.210 1001 R C 0.624 176.930 176.300 0.009 0.000 1.221 1001 R CA 0.439 56.548 56.100 0.017 0.000 1.055 1001 R CB -0.146 30.161 30.300 0.012 0.000 0.946 1001 R HN 0.843 nan 8.270 nan 0.000 0.459 1002 G N 1.519 110.327 108.800 0.013 0.000 2.956 1002 G HA2 -0.304 3.652 3.960 -0.007 0.000 0.258 1002 G HA3 -0.304 3.652 3.960 -0.007 0.000 0.258 1002 G C 0.119 175.020 174.900 0.002 0.000 0.437 1002 G CA 0.396 45.501 45.100 0.008 0.000 1.163 1002 G HN 0.332 nan 8.290 nan 0.000 0.231 1003 K N 1.144 121.544 120.400 -0.000 0.000 2.141 1003 K HA -0.037 4.279 4.320 -0.007 0.000 0.202 1003 K C 1.518 178.116 176.600 -0.003 0.000 1.045 1003 K CA 0.173 56.458 56.287 -0.003 0.000 0.971 1003 K CB -0.074 32.423 32.500 -0.004 0.000 0.795 1003 K HN 0.716 nan 8.250 nan 0.000 0.459 1004 N N 2.342 121.040 118.700 -0.002 0.000 2.225 1004 N HA -0.172 4.564 4.740 -0.007 0.000 0.257 1004 N C 0.447 175.953 175.510 -0.007 0.000 1.252 1004 N CA 0.632 53.679 53.050 -0.004 0.000 0.833 1004 N CB 1.212 39.698 38.487 -0.002 0.000 1.068 1004 N HN 0.095 nan 8.380 nan 0.000 0.468 1005 E N 3.105 123.300 120.200 -0.009 0.000 2.393 1005 E HA -0.141 4.204 4.350 -0.007 0.000 0.201 1005 E C 1.168 177.758 176.600 -0.017 0.000 1.025 1005 E CA 1.206 57.599 56.400 -0.011 0.000 0.856 1005 E CB -0.034 29.660 29.700 -0.010 0.000 0.771 1005 E HN 0.703 nan 8.360 nan 0.000 0.526 1006 I N -0.037 120.520 120.570 -0.022 0.000 2.867 1006 I HA -0.074 4.092 4.170 -0.007 0.000 0.265 1006 I C 1.921 178.012 176.117 -0.043 0.000 1.162 1006 I CA 0.362 61.639 61.300 -0.038 0.000 1.471 1006 I CB -0.860 37.108 38.000 -0.053 0.000 1.123 1006 I HN 0.162 nan 8.210 nan 0.000 0.440 1007 I N 0.648 121.201 120.570 -0.028 0.000 2.206 1007 I HA -0.129 4.037 4.170 -0.007 0.000 0.239 1007 I C 2.508 178.620 176.117 -0.008 0.000 1.078 1007 I CA 1.061 62.351 61.300 -0.017 0.000 1.367 1007 I CB -1.119 36.879 38.000 -0.002 0.000 1.078 1007 I HN 0.264 nan 8.210 nan 0.000 0.413 1008 Q N 0.767 120.563 119.800 -0.007 0.000 2.297 1008 Q HA -0.178 4.158 4.340 -0.007 0.000 0.208 1008 Q C 1.710 177.706 176.000 -0.006 0.000 0.981 1008 Q CA 0.918 56.718 55.803 -0.005 0.000 0.876 1008 Q CB -0.315 28.419 28.738 -0.006 0.000 0.921 1008 Q HN 0.480 nan 8.270 nan 0.000 0.446 1009 N N -0.350 118.343 118.700 -0.012 0.000 2.515 1009 N HA -0.026 4.710 4.740 -0.007 0.000 0.185 1009 N C 1.246 176.752 175.510 -0.007 0.000 1.109 1009 N CA 0.632 53.675 53.050 -0.011 0.000 0.903 1009 N CB 0.307 38.783 38.487 -0.019 0.000 0.969 1009 N HN 0.192 nan 8.380 nan 0.000 0.450 1010 A N 0.940 123.756 122.820 -0.006 0.000 1.843 1010 A HA -0.158 4.158 4.320 -0.007 0.000 0.213 1010 A C 2.151 179.753 177.584 0.030 0.000 1.202 1010 A CA 1.270 53.312 52.037 0.008 0.000 0.607 1010 A CB -0.645 18.365 19.000 0.016 0.000 0.847 1010 A HN 0.303 nan 8.150 nan 0.000 0.445 1011 Q N -0.132 119.683 119.800 0.025 0.000 2.170 1011 Q HA -0.141 4.195 4.340 -0.007 0.000 0.203 1011 Q C 2.072 178.086 176.000 0.022 0.000 0.976 1011 Q CA 2.093 57.913 55.803 0.029 0.000 0.858 1011 Q CB -0.276 28.470 28.738 0.013 0.000 0.907 1011 Q HN 0.608 nan 8.270 nan 0.000 0.433 1012 R N -0.189 120.320 120.500 0.014 0.000 2.062 1012 R HA -0.073 4.262 4.340 -0.007 0.000 0.229 1012 R C 1.299 177.618 176.300 0.032 0.000 1.128 1012 R CA 1.536 57.643 56.100 0.012 0.000 0.960 1012 R CB 0.014 30.317 30.300 0.006 0.000 0.855 1012 R HN 0.440 nan 8.270 nan 0.000 0.432 1013 D N 0.048 120.470 120.400 0.037 0.000 2.350 1013 D HA -0.081 4.554 4.640 -0.007 0.000 0.216 1013 D C 1.233 177.580 176.300 0.078 0.000 0.968 1013 D CA 0.803 54.836 54.000 0.054 0.000 0.894 1013 D CB 0.168 40.994 40.800 0.043 0.000 0.909 1013 D HN 0.297 nan 8.370 nan 0.000 0.520 1014 A N 0.300 123.171 122.820 0.085 0.000 2.123 1014 A HA 0.046 4.362 4.320 -0.007 0.000 0.214 1014 A C 2.289 179.977 177.584 0.174 0.000 1.152 1014 A CA 0.358 52.471 52.037 0.127 0.000 0.728 1014 A CB 0.103 19.185 19.000 0.136 0.000 0.814 1014 A HN 0.125 nan 8.150 nan 0.000 0.464 1015 V N -1.242 118.753 119.914 0.135 0.000 2.672 1015 V HA -0.115 4.001 4.120 -0.007 0.000 0.242 1015 V C 2.453 178.646 176.094 0.164 0.000 1.059 1015 V CA 1.830 64.230 62.300 0.167 0.000 1.081 1015 V CB -0.930 30.923 31.823 0.051 0.000 0.752 1015 V HN 0.526 nan 8.190 nan 0.000 0.472 1016 T N 1.219 115.817 114.554 0.073 0.000 2.515 1016 T HA -0.418 3.928 4.350 -0.007 0.000 0.246 1016 T C 1.814 176.508 174.700 -0.011 0.000 1.268 1016 T CA 2.726 64.827 62.100 0.002 0.000 1.136 1016 T CB -0.712 68.171 68.868 0.025 0.000 0.847 1016 T HN 0.350 nan 8.240 nan 0.000 0.442 1017 L N -0.524 120.738 121.223 0.064 0.000 2.012 1017 L HA -0.123 4.213 4.340 -0.007 0.000 0.210 1017 L C 2.345 179.237 176.870 0.037 0.000 1.073 1017 L CA 1.784 56.649 54.840 0.041 0.000 0.748 1017 L CB -0.440 41.671 42.059 0.088 0.000 0.891 1017 L HN 0.249 nan 8.230 nan 0.000 0.431 1018 F N 0.558 120.543 119.950 0.058 0.000 2.087 1018 F HA -0.358 4.165 4.527 -0.007 0.000 0.299 1018 F C 2.574 178.386 175.800 0.020 0.000 1.100 1018 F CA 2.216 60.266 58.000 0.084 0.000 1.226 1018 F CB -0.628 38.521 39.000 0.250 0.000 0.983 1018 F HN 0.262 nan 8.300 nan 0.000 0.479 1019 C N -1.263 117.966 119.300 -0.119 0.000 2.450 1019 C HA -0.127 4.329 4.460 -0.007 0.000 0.279 1019 C C 2.980 177.843 174.990 -0.213 0.000 1.335 1019 C CA 0.393 59.310 59.018 -0.168 0.000 1.749 1019 C CB -1.995 25.705 27.740 -0.066 0.000 1.963 1019 C HN 0.666 nan 8.230 nan 0.000 0.501 1020 C N 0.803 119.975 119.300 -0.213 0.000 2.391 1020 C HA -0.169 4.287 4.460 -0.007 0.000 0.276 1020 C C 2.617 177.485 174.990 -0.203 0.000 1.217 1020 C CA 1.488 60.380 59.018 -0.211 0.000 1.766 1020 C CB -1.597 26.001 27.740 -0.238 0.000 2.046 1020 C HN 0.668 nan 8.230 nan 0.000 0.475 1021 L N 0.782 121.837 121.223 -0.279 0.000 1.961 1021 L HA -0.078 4.257 4.340 -0.007 0.000 0.210 1021 L C 2.358 179.085 176.870 -0.238 0.000 1.072 1021 L CA 1.795 56.473 54.840 -0.271 0.000 0.749 1021 L CB -1.370 40.450 42.059 -0.399 0.000 0.889 1021 L HN 0.250 nan 8.230 nan 0.000 0.432 1022 L N 0.470 121.478 121.223 -0.358 0.000 2.040 1022 L HA -0.322 4.014 4.340 -0.007 0.000 0.228 1022 L C 2.727 179.524 176.870 -0.122 0.000 1.092 1022 L CA 2.524 57.214 54.840 -0.250 0.000 0.805 1022 L CB -1.058 40.830 42.059 -0.284 0.000 0.905 1022 L HN 0.486 nan 8.230 nan 0.000 0.443 1023 R N -0.768 119.664 120.500 -0.113 0.000 2.153 1023 R HA -0.009 4.327 4.340 -0.007 0.000 0.218 1023 R C 2.303 178.560 176.300 -0.073 0.000 1.072 1023 R CA 1.119 57.174 56.100 -0.074 0.000 0.990 1023 R CB -0.653 29.613 30.300 -0.057 0.000 0.889 1023 R HN 0.673 nan 8.270 nan 0.000 0.452 1024 S N 1.090 116.754 115.700 -0.060 0.000 2.370 1024 S HA -0.177 4.289 4.470 -0.007 0.000 0.226 1024 S C 2.011 176.536 174.600 -0.125 0.000 1.033 1024 S CA 1.015 59.225 58.200 0.015 0.000 1.011 1024 S CB -0.124 63.133 63.200 0.095 0.000 0.852 1024 S HN 0.146 nan 8.310 nan 0.000 0.457 1025 R N 1.248 121.702 120.500 -0.078 0.000 2.055 1025 R HA 0.330 4.666 4.340 -0.007 0.000 0.228 1025 R C 0.857 177.132 176.300 -0.043 0.000 1.143 1025 R CA 0.818 56.907 56.100 -0.019 0.000 0.945 1025 R CB -0.803 29.523 30.300 0.043 0.000 0.841 1025 R HN 0.429 nan 8.270 nan 0.000 0.429 1026 L N 1.430 122.640 121.223 -0.022 0.000 2.388 1026 L HA 0.286 4.621 4.340 -0.007 0.000 0.252 1026 L C -0.380 176.462 176.870 -0.047 0.000 1.357 1026 L CA -0.480 54.365 54.840 0.009 0.000 1.214 1026 L CB -0.359 41.744 42.059 0.074 0.000 1.392 1026 L HN 0.140 nan 8.230 nan 0.000 0.432 1027 A N 0.540 123.256 122.820 -0.172 0.000 2.455 1027 A HA 0.547 4.863 4.320 -0.007 0.000 0.300 1027 A C 0.902 178.333 177.584 -0.256 0.000 1.040 1027 A CA -0.478 51.426 52.037 -0.220 0.000 0.697 1027 A CB 1.130 19.923 19.000 -0.345 0.000 1.265 1027 A HN 0.470 nan 8.150 nan 0.000 0.407 1028 T N 1.777 116.237 114.554 -0.158 0.000 2.397 1028 T HA -0.309 4.037 4.350 -0.007 0.000 0.236 1028 T C 1.959 176.551 174.700 -0.181 0.000 1.393 1028 T CA 2.035 64.047 62.100 -0.147 0.000 1.148 1028 T CB -0.502 68.310 68.868 -0.094 0.000 0.853 1028 T HN 0.715 nan 8.240 nan 0.000 0.419 1029 R N 0.602 121.010 120.500 -0.154 0.000 2.159 1029 R HA -0.208 4.128 4.340 -0.007 0.000 0.249 1029 R C 2.773 178.940 176.300 -0.221 0.000 1.136 1029 R CA 2.053 58.067 56.100 -0.142 0.000 0.951 1029 R CB -0.469 29.757 30.300 -0.123 0.000 0.876 1029 R HN 0.423 nan 8.270 nan 0.000 0.440 1030 R N 0.089 120.378 120.500 -0.351 0.000 2.097 1030 R HA -0.152 4.184 4.340 -0.007 0.000 0.236 1030 R C 2.379 178.268 176.300 -0.685 0.000 1.135 1030 R CA 1.918 57.695 56.100 -0.539 0.000 0.934 1030 R CB -0.522 29.372 30.300 -0.676 0.000 0.846 1030 R HN 0.086 nan 8.270 nan 0.000 0.431 1031 V N 1.184 120.790 119.914 -0.514 0.000 2.278 1031 V HA -0.300 3.816 4.120 -0.007 0.000 0.251 1031 V C 2.172 178.137 176.094 -0.214 0.000 1.062 1031 V CA 1.974 64.066 62.300 -0.347 0.000 1.038 1031 V CB -0.331 31.463 31.823 -0.048 0.000 0.646 1031 V HN 0.300 nan 8.190 nan 0.000 0.447 1032 L N -1.506 119.616 121.223 -0.169 0.000 2.221 1032 L HA 0.026 4.362 4.340 -0.007 0.000 0.202 1032 L C 2.378 179.198 176.870 -0.083 0.000 1.074 1032 L CA 1.156 55.938 54.840 -0.097 0.000 0.795 1032 L CB -0.468 41.541 42.059 -0.083 0.000 0.960 1032 L HN 0.208 nan 8.230 nan 0.000 0.458 1033 Q N -0.192 119.540 119.800 -0.114 0.000 2.389 1033 Q HA -0.064 4.271 4.340 -0.007 0.000 0.204 1033 Q C 1.343 177.332 176.000 -0.018 0.000 0.944 1033 Q CA 0.815 56.584 55.803 -0.058 0.000 0.908 1033 Q CB 0.489 29.195 28.738 -0.053 0.000 1.002 1033 Q HN 0.545 nan 8.270 nan 0.000 0.493 1034 E N -1.011 119.156 120.200 -0.054 0.000 2.414 1034 E HA 0.036 4.382 4.350 -0.007 0.000 0.208 1034 E C -0.758 175.970 176.600 0.213 0.000 0.820 1034 E CA 0.020 56.446 56.400 0.042 0.000 1.143 1034 E CB 0.895 30.580 29.700 -0.025 0.000 1.150 1034 E HN 0.241 nan 8.360 nan 0.000 0.540 1035 Y N -0.692 119.635 120.300 0.044 0.000 2.422 1035 Y HA 0.447 4.992 4.550 -0.007 0.000 0.344 1035 Y C -0.507 175.406 175.900 0.021 0.000 1.097 1035 Y CA -1.360 56.781 58.100 0.068 0.000 1.307 1035 Y CB 0.056 38.553 38.460 0.062 0.000 1.102 1035 Y HN -0.277 nan 8.280 nan 0.000 0.520 1036 R N 4.671 125.254 120.500 0.139 0.000 4.432 1036 R HA 0.126 4.462 4.340 -0.007 0.000 0.165 1036 R C 0.434 176.734 176.300 -0.000 0.000 1.929 1036 R CA 0.204 56.298 56.100 -0.010 0.000 1.469 1036 R CB -0.400 29.809 30.300 -0.152 0.000 1.368 1036 R HN 0.796 nan 8.270 nan 0.000 0.811 1037 L N 0.026 121.312 121.223 0.105 0.000 2.240 1037 L HA 0.017 4.352 4.340 -0.007 0.000 0.166 1037 L C 1.223 178.103 176.870 0.016 0.000 0.893 1037 L CA 0.867 55.762 54.840 0.092 0.000 1.058 1037 L CB -0.422 41.771 42.059 0.224 0.000 1.371 1037 L HN 0.469 nan 8.230 nan 0.000 0.480 1038 T N -4.290 110.280 114.554 0.027 0.000 2.669 1038 T HA 0.093 4.439 4.350 -0.007 0.000 0.305 1038 T C -0.116 174.590 174.700 0.010 0.000 1.838 1038 T CA -0.443 61.638 62.100 -0.032 0.000 0.978 1038 T CB 1.089 69.905 68.868 -0.086 0.000 1.851 1038 T HN 0.438 nan 8.240 nan 0.000 0.503 1039 K N 0.437 120.821 120.400 -0.028 0.000 2.217 1039 K HA 0.114 4.430 4.320 -0.007 0.000 0.202 1039 K C 1.995 178.631 176.600 0.059 0.000 1.051 1039 K CA 2.041 58.338 56.287 0.017 0.000 0.952 1039 K CB -0.355 32.134 32.500 -0.019 0.000 0.736 1039 K HN 0.643 nan 8.250 nan 0.000 0.453 1040 Q N -0.219 119.538 119.800 -0.071 0.000 1.984 1040 Q HA -0.016 4.320 4.340 -0.007 0.000 0.196 1040 Q C 1.821 177.772 176.000 -0.083 0.000 0.975 1040 Q CA 1.231 56.981 55.803 -0.088 0.000 0.827 1040 Q CB -0.339 28.322 28.738 -0.128 0.000 0.894 1040 Q HN 0.291 nan 8.270 nan 0.000 0.438 1041 A N 1.324 123.878 122.820 -0.444 0.000 1.953 1041 A HA -0.308 4.007 4.320 -0.007 0.000 0.212 1041 A C 1.821 179.386 177.584 -0.031 0.000 1.250 1041 A CA 1.906 53.543 52.037 -0.666 0.000 0.726 1041 A CB -1.696 16.644 19.000 -1.099 0.000 0.837 1041 A HN 0.666 nan 8.150 nan 0.000 0.481 1042 F N 0.695 120.606 119.950 -0.064 0.000 2.076 1042 F HA -0.407 4.116 4.527 -0.007 0.000 0.285 1042 F C 1.812 177.651 175.800 0.065 0.000 1.083 1042 F CA 2.901 60.919 58.000 0.030 0.000 1.294 1042 F CB -0.643 38.352 39.000 -0.008 0.000 0.947 1042 F HN 0.435 nan 8.300 nan 0.000 0.501 1043 D N -1.245 119.365 120.400 0.349 0.000 2.311 1043 D HA -0.211 4.425 4.640 -0.007 0.000 0.212 1043 D C 1.499 177.882 176.300 0.139 0.000 0.972 1043 D CA 1.227 55.370 54.000 0.237 0.000 0.887 1043 D CB -0.340 40.593 40.800 0.221 0.000 0.915 1043 D HN 0.576 nan 8.370 nan 0.000 0.497 1044 W N 0.116 121.379 121.300 -0.061 0.000 2.487 1044 W HA -0.121 4.535 4.660 -0.007 0.000 0.320 1044 W C 2.201 178.675 176.519 -0.076 0.000 1.149 1044 W CA 0.988 58.325 57.345 -0.014 0.000 1.342 1044 W CB -0.874 28.640 29.460 0.089 0.000 1.200 1044 W HN -0.242 nan 8.180 nan 0.000 0.464 1045 V N 1.837 121.720 119.914 -0.051 0.000 2.242 1045 V HA -0.424 3.692 4.120 -0.007 0.000 0.257 1045 V C 2.401 178.295 176.094 -0.333 0.000 1.073 1045 V CA 2.289 64.421 62.300 -0.279 0.000 1.058 1045 V CB -1.568 30.131 31.823 -0.206 0.000 0.664 1045 V HN 0.392 nan 8.190 nan 0.000 0.451 1046 L N -0.423 120.589 121.223 -0.352 0.000 1.925 1046 L HA -0.286 4.050 4.340 -0.007 0.000 0.232 1046 L C 2.718 179.478 176.870 -0.183 0.000 1.089 1046 L CA 2.269 56.959 54.840 -0.249 0.000 0.806 1046 L CB -0.792 41.139 42.059 -0.213 0.000 0.899 1046 L HN 0.408 nan 8.230 nan 0.000 0.435 1047 S N -0.437 115.185 115.700 -0.129 0.000 2.461 1047 S HA -0.367 4.099 4.470 -0.007 0.000 0.266 1047 S C 1.868 176.358 174.600 -0.183 0.000 1.138 1047 S CA 2.259 60.382 58.200 -0.129 0.000 1.146 1047 S CB -0.595 62.554 63.200 -0.085 0.000 1.042 1047 S HN 0.593 nan 8.310 nan 0.000 0.448 1048 N N 1.054 119.553 118.700 -0.334 0.000 2.047 1048 N HA -0.071 4.664 4.740 -0.007 0.000 0.193 1048 N C 1.811 177.184 175.510 -0.229 0.000 1.055 1048 N CA 2.105 54.932 53.050 -0.372 0.000 0.847 1048 N CB -0.850 37.178 38.487 -0.764 0.000 1.038 1048 N HN 0.560 nan 8.380 nan 0.000 0.427 1049 I N 1.446 121.889 120.570 -0.211 0.000 2.130 1049 I HA -0.401 3.765 4.170 -0.007 0.000 0.241 1049 I C 2.531 178.627 176.117 -0.035 0.000 1.023 1049 I CA 2.089 63.342 61.300 -0.080 0.000 1.293 1049 I CB -0.734 37.255 38.000 -0.018 0.000 1.001 1049 I HN 0.453 nan 8.210 nan 0.000 0.407 1050 E N 1.041 121.211 120.200 -0.050 0.000 2.028 1050 E HA -0.371 3.975 4.350 -0.007 0.000 0.217 1050 E C 2.059 178.662 176.600 0.005 0.000 1.039 1050 E CA 2.010 58.396 56.400 -0.023 0.000 0.882 1050 E CB -0.323 29.348 29.700 -0.049 0.000 0.794 1050 E HN 0.428 nan 8.360 nan 0.000 0.488 1051 A N 0.922 123.719 122.820 -0.039 0.000 2.030 1051 A HA -0.457 3.859 4.320 -0.007 0.000 0.266 1051 A C 2.169 179.720 177.584 -0.056 0.000 2.529 1051 A CA 3.020 55.028 52.037 -0.049 0.000 0.955 1051 A CB -1.666 17.282 19.000 -0.087 0.000 0.765 1051 A HN 0.672 nan 8.150 nan 0.000 0.502 1052 Q N -1.638 118.108 119.800 -0.090 0.000 2.028 1052 Q HA -0.235 4.101 4.340 -0.007 0.000 0.213 1052 Q C 1.698 177.594 176.000 -0.173 0.000 1.017 1052 Q CA 2.137 57.862 55.803 -0.129 0.000 0.875 1052 Q CB -0.507 28.162 28.738 -0.115 0.000 0.962 1052 Q HN 0.677 nan 8.270 nan 0.000 0.413 1053 F N -0.184 119.626 119.950 -0.233 0.000 2.021 1053 F HA -0.343 4.180 4.527 -0.007 0.000 0.294 1053 F C 2.295 177.974 175.800 -0.202 0.000 1.512 1053 F CA 1.737 59.553 58.000 -0.307 0.000 1.198 1053 F CB -0.416 38.349 39.000 -0.391 0.000 1.128 1053 F HN 0.277 nan 8.300 nan 0.000 0.565 1054 L N -0.689 120.757 121.223 0.372 0.000 3.431 1054 L HA -0.540 3.795 4.340 -0.007 0.000 0.056 1054 L C 2.278 179.120 176.870 -0.047 0.000 4.413 1054 L CA 2.123 57.020 54.840 0.095 0.000 0.544 1054 L CB -1.308 40.781 42.059 0.050 0.000 3.531 1054 L HN 0.497 nan 8.230 nan 0.000 0.663 1055 R N -0.360 120.066 120.500 -0.124 0.000 2.096 1055 R HA -0.085 4.251 4.340 -0.007 0.000 0.235 1055 R C 1.978 178.052 176.300 -0.376 0.000 1.127 1055 R CA 1.847 57.825 56.100 -0.203 0.000 0.968 1055 R CB -0.434 29.695 30.300 -0.284 0.000 0.861 1055 R HN 0.546 nan 8.270 nan 0.000 0.440 1056 S N 0.571 116.003 115.700 -0.447 0.000 2.562 1056 S HA 0.051 4.516 4.470 -0.007 0.000 0.221 1056 S C 1.035 175.527 174.600 -0.179 0.000 0.975 1056 S CA -0.124 57.808 58.200 -0.447 0.000 0.918 1056 S CB 0.062 63.031 63.200 -0.387 0.000 0.772 1056 S HN -0.042 nan 8.310 nan 0.000 0.531 1057 V N 2.429 122.255 119.914 -0.147 0.000 3.332 1057 V HA 0.016 4.132 4.120 -0.007 0.000 0.305 1057 V C 0.797 176.975 176.094 0.140 0.000 1.114 1057 V CA -0.320 61.992 62.300 0.021 0.000 1.194 1057 V CB 0.311 32.182 31.823 0.079 0.000 1.027 1057 V HN 0.156 nan 8.190 nan 0.000 0.492 1058 V N 2.278 122.264 119.914 0.121 0.000 2.715 1058 V HA 0.156 4.272 4.120 -0.007 0.000 0.299 1058 V C 0.098 176.314 176.094 0.202 0.000 1.054 1058 V CA -0.200 62.145 62.300 0.075 0.000 1.077 1058 V CB 0.181 31.992 31.823 -0.020 0.000 0.972 1058 V HN 0.840 nan 8.190 nan 0.000 0.484 1059 H N 4.064 123.114 119.070 -0.034 0.000 2.504 1059 H HA 0.314 4.866 4.556 -0.007 0.000 0.322 1059 H C -2.455 172.854 175.328 -0.032 0.000 1.055 1059 H CA -2.243 53.811 56.048 0.010 0.000 1.231 1059 H CB 1.634 31.419 29.762 0.038 0.000 1.417 1059 H HN 0.443 nan 8.280 nan 0.000 0.472 1060 P HA -0.037 nan 4.420 nan 0.000 0.264 1060 P C 0.943 178.134 177.300 -0.182 0.000 1.193 1060 P CA 1.251 64.311 63.100 -0.065 0.000 0.763 1060 P CB 0.856 32.550 31.700 -0.010 0.000 0.810 1061 G N 2.199 110.845 108.800 -0.257 0.000 2.352 1061 G HA2 -0.164 3.792 3.960 -0.007 0.000 0.204 1061 G HA3 -0.164 3.792 3.960 -0.007 0.000 0.204 1061 G C 0.089 174.871 174.900 -0.196 0.000 1.004 1061 G CA -0.527 44.422 45.100 -0.252 0.000 0.648 1061 G HN 0.475 nan 8.290 nan 0.000 0.491 1062 E N 1.226 121.328 120.200 -0.164 0.000 2.708 1062 E HA 0.071 4.417 4.350 -0.007 0.000 0.260 1062 E C 0.692 177.177 176.600 -0.192 0.000 0.937 1062 E CA 0.484 56.774 56.400 -0.183 0.000 0.953 1062 E CB 0.223 29.771 29.700 -0.254 0.000 0.915 1062 E HN 0.233 nan 8.360 nan 0.000 0.487 1063 M N 4.360 123.870 119.600 -0.150 0.000 3.568 1063 M HA 0.026 4.501 4.480 -0.007 0.000 0.213 1063 M C 1.140 177.393 176.300 -0.078 0.000 1.256 1063 M CA -0.325 54.902 55.300 -0.123 0.000 1.418 1063 M CB -0.701 31.836 32.600 -0.105 0.000 1.102 1063 M HN 0.207 nan 8.290 nan 0.000 0.599 1064 V N 0.008 119.877 119.914 -0.076 0.000 2.317 1064 V HA -0.283 3.833 4.120 -0.007 0.000 0.251 1064 V C 2.432 178.573 176.094 0.078 0.000 1.065 1064 V CA 2.245 64.582 62.300 0.062 0.000 1.049 1064 V CB -1.994 29.971 31.823 0.237 0.000 0.651 1064 V HN 0.692 nan 8.190 nan 0.000 0.450 1065 G N 0.739 109.550 108.800 0.018 0.000 2.864 1065 G HA2 -0.383 3.573 3.960 -0.007 0.000 0.250 1065 G HA3 -0.383 3.573 3.960 -0.007 0.000 0.250 1065 G C 1.506 176.387 174.900 -0.032 0.000 1.154 1065 G CA 2.303 47.386 45.100 -0.029 0.000 0.755 1065 G HN 0.459 nan 8.290 nan 0.000 0.697 1066 V N 1.092 120.979 119.914 -0.046 0.000 2.594 1066 V HA -0.081 4.035 4.120 -0.007 0.000 0.253 1066 V C 2.677 178.756 176.094 -0.025 0.000 1.069 1066 V CA 1.787 64.058 62.300 -0.048 0.000 1.082 1066 V CB -0.303 31.488 31.823 -0.054 0.000 0.680 1066 V HN 0.464 nan 8.190 nan 0.000 0.469 1067 L N 0.127 121.362 121.223 0.021 0.000 2.376 1067 L HA 0.064 4.400 4.340 -0.007 0.000 0.219 1067 L C 2.204 179.101 176.870 0.044 0.000 1.133 1067 L CA 1.692 56.559 54.840 0.045 0.000 0.816 1067 L CB -0.371 41.739 42.059 0.084 0.000 0.933 1067 L HN 0.186 nan 8.230 nan 0.000 0.449 1068 A N -0.249 122.623 122.820 0.087 0.000 1.911 1068 A HA 0.184 4.500 4.320 -0.007 0.000 0.212 1068 A C 2.463 179.988 177.584 -0.098 0.000 1.189 1068 A CA 0.928 53.001 52.037 0.061 0.000 0.639 1068 A CB -0.905 18.237 19.000 0.238 0.000 0.839 1068 A HN 0.515 nan 8.150 nan 0.000 0.449 1069 A N -0.100 122.679 122.820 -0.069 0.000 1.883 1069 A HA -0.412 3.903 4.320 -0.007 0.000 0.222 1069 A C 2.081 179.580 177.584 -0.141 0.000 1.339 1069 A CA 2.493 54.469 52.037 -0.102 0.000 0.692 1069 A CB -1.145 17.798 19.000 -0.095 0.000 0.845 1069 A HN 0.605 nan 8.150 nan 0.000 0.467 1070 Q N -0.763 118.949 119.800 -0.147 0.000 2.133 1070 Q HA -0.180 4.156 4.340 -0.007 0.000 0.208 1070 Q C 2.290 178.146 176.000 -0.240 0.000 0.991 1070 Q CA 2.129 57.816 55.803 -0.192 0.000 0.867 1070 Q CB -0.206 28.431 28.738 -0.168 0.000 0.911 1070 Q HN 0.802 nan 8.270 nan 0.000 0.417 1071 S N -0.426 115.111 115.700 -0.271 0.000 2.515 1071 S HA -0.005 4.460 4.470 -0.007 0.000 0.231 1071 S C 1.549 175.989 174.600 -0.267 0.000 0.987 1071 S CA 0.645 58.643 58.200 -0.336 0.000 0.936 1071 S CB 0.061 62.880 63.200 -0.636 0.000 0.766 1071 S HN 0.325 nan 8.310 nan 0.000 0.528 1072 I N 1.070 121.512 120.570 -0.213 0.000 3.526 1072 I HA 0.174 4.340 4.170 -0.007 0.000 0.294 1072 I C 2.582 178.618 176.117 -0.135 0.000 1.229 1072 I CA 0.353 61.560 61.300 -0.156 0.000 1.408 1072 I CB -0.656 37.262 38.000 -0.136 0.000 1.127 1072 I HN 0.318 nan 8.210 nan 0.000 0.439 1073 G N 1.143 109.855 108.800 -0.146 0.000 2.513 1073 G HA2 -0.290 3.666 3.960 -0.007 0.000 0.219 1073 G HA3 -0.290 3.666 3.960 -0.007 0.000 0.219 1073 G C 1.506 176.324 174.900 -0.136 0.000 1.160 1073 G CA 0.947 45.970 45.100 -0.129 0.000 0.767 1073 G HN 0.297 nan 8.290 nan 0.000 0.571 1074 E N 0.709 120.793 120.200 -0.193 0.000 1.996 1074 E HA -0.089 4.256 4.350 -0.007 0.000 0.197 1074 E C 0.270 176.804 176.600 -0.110 0.000 1.002 1074 E CA 1.458 57.739 56.400 -0.198 0.000 0.840 1074 E CB -0.858 28.646 29.700 -0.327 0.000 0.786 1074 E HN 0.271 nan 8.360 nan 0.000 0.469 1075 P HA -0.189 nan 4.420 nan 0.000 0.221 1075 P C 1.005 178.273 177.300 -0.054 0.000 1.141 1075 P CA 1.827 64.892 63.100 -0.058 0.000 0.794 1075 P CB -0.203 31.462 31.700 -0.058 0.000 0.764 1076 A N 0.313 123.094 122.820 -0.065 0.000 1.883 1076 A HA -0.137 4.179 4.320 -0.007 0.000 0.217 1076 A C 1.860 179.421 177.584 -0.038 0.000 1.186 1076 A CA 2.317 54.323 52.037 -0.052 0.000 0.624 1076 A CB -1.894 17.074 19.000 -0.055 0.000 0.822 1076 A HN 0.324 nan 8.150 nan 0.000 0.444 1077 T N -0.732 113.796 114.554 -0.044 0.000 3.473 1077 T HA 0.214 4.559 4.350 -0.007 0.000 0.247 1077 T C 0.707 175.392 174.700 -0.025 0.000 1.010 1077 T CA 0.318 62.400 62.100 -0.031 0.000 0.940 1077 T CB 0.127 68.975 68.868 -0.032 0.000 1.068 1077 T HN 0.492 nan 8.240 nan 0.000 0.604 1078 Q N -0.267 119.517 119.800 -0.025 0.000 2.171 1078 Q HA 0.334 4.669 4.340 -0.007 0.000 0.250 1078 Q C 0.900 176.890 176.000 -0.017 0.000 0.791 1078 Q CA 0.177 55.969 55.803 -0.019 0.000 0.950 1078 Q CB 0.314 29.040 28.738 -0.020 0.000 1.151 1078 Q HN 0.530 nan 8.270 nan 0.000 0.480 1079 M N 1.355 120.943 119.600 -0.020 0.000 1.782 1079 M HA 0.275 4.751 4.480 -0.007 0.000 0.199 1079 M C -0.239 176.055 176.300 -0.010 0.000 1.314 1079 M CA 0.811 56.101 55.300 -0.016 0.000 0.877 1079 M CB 0.113 32.702 32.600 -0.019 0.000 1.222 1079 M HN -0.091 nan 8.290 nan 0.000 0.419 1080 T N 0.216 114.766 114.554 -0.006 0.000 3.258 1080 T HA 0.363 4.708 4.350 -0.007 0.000 0.419 1080 T C -1.114 173.586 174.700 0.001 0.000 1.631 1080 T CA -0.894 61.204 62.100 -0.003 0.000 1.040 1080 T CB 0.344 69.210 68.868 -0.005 0.000 1.655 1080 T HN 0.557 nan 8.240 nan 0.000 0.465 1093 K N 1.095 121.517 120.400 0.036 0.000 3.010 1093 K HA 0.215 4.531 4.320 -0.007 0.000 0.211 1093 K C 0.213 176.830 176.600 0.029 0.000 1.146 1093 K CA -0.351 55.953 56.287 0.027 0.000 1.070 1093 K CB 1.225 33.738 32.500 0.021 0.000 0.908 1093 K HN -0.086 nan 8.250 nan 0.000 0.463 1094 V N 1.277 121.210 119.914 0.033 0.000 2.427 1094 V HA 0.144 4.260 4.120 -0.007 0.000 0.286 1094 V C 0.516 176.627 176.094 0.027 0.000 1.034 1094 V CA -0.882 61.438 62.300 0.032 0.000 0.893 1094 V CB 1.174 33.022 31.823 0.042 0.000 0.982 1094 V HN 0.285 nan 8.190 nan 0.000 0.452 1095 T N 3.684 118.254 114.554 0.027 0.000 2.765 1095 T HA 0.375 4.721 4.350 -0.007 0.000 0.284 1095 T C 0.356 175.074 174.700 0.030 0.000 0.946 1095 T CA 0.081 62.197 62.100 0.026 0.000 1.185 1095 T CB -0.194 68.691 68.868 0.029 0.000 0.887 1095 T HN 1.071 nan 8.240 nan 0.000 0.532 1096 S N 2.048 117.762 115.700 0.024 0.000 2.596 1096 S HA 0.822 5.288 4.470 -0.007 0.000 0.270 1096 S C 0.245 174.851 174.600 0.010 0.000 1.155 1096 S CA -0.358 57.854 58.200 0.019 0.000 0.827 1096 S CB 1.413 64.624 63.200 0.019 0.000 1.130 1096 S HN 1.584 nan 8.310 nan 0.000 0.467 1097 G N 0.713 109.514 108.800 0.002 0.000 2.726 1097 G HA2 -0.126 3.830 3.960 -0.007 0.000 0.261 1097 G HA3 -0.126 3.830 3.960 -0.007 0.000 0.261 1097 G C 0.755 175.655 174.900 -0.001 0.000 1.352 1097 G CA 0.511 45.608 45.100 -0.005 0.000 0.906 1097 G HN 1.919 nan 8.290 nan 0.000 0.566 1098 V N 1.226 121.138 119.914 -0.004 0.000 2.308 1098 V HA -0.370 3.746 4.120 -0.007 0.000 0.252 1098 V C 1.165 177.266 176.094 0.010 0.000 1.066 1098 V CA 4.003 66.304 62.300 0.002 0.000 1.104 1098 V CB -2.422 29.404 31.823 0.004 0.000 0.786 1098 V HN 0.990 nan 8.190 nan 0.000 0.473 1099 P HA -0.317 nan 4.420 nan 0.000 0.216 1099 P C 1.510 178.826 177.300 0.026 0.000 1.151 1099 P CA 2.770 65.882 63.100 0.020 0.000 0.953 1099 P CB -0.198 31.513 31.700 0.018 0.000 0.789 1100 R N 0.069 120.584 120.500 0.025 0.000 2.256 1100 R HA -0.179 4.157 4.340 -0.007 0.000 0.216 1100 R C 2.584 178.899 176.300 0.025 0.000 1.080 1100 R CA 1.830 57.949 56.100 0.032 0.000 0.848 1100 R CB -1.752 28.563 30.300 0.025 0.000 0.794 1100 R HN 0.078 nan 8.270 nan 0.000 0.438 1101 L N 1.155 122.381 121.223 0.004 0.000 2.173 1101 L HA -0.417 3.919 4.340 -0.007 0.000 0.239 1101 L C 2.413 179.290 176.870 0.010 0.000 1.123 1101 L CA 3.077 57.912 54.840 -0.008 0.000 0.847 1101 L CB -0.788 41.259 42.059 -0.020 0.000 0.940 1101 L HN 0.552 nan 8.230 nan 0.000 0.450 1102 K N -0.833 119.580 120.400 0.021 0.000 2.052 1102 K HA -0.332 3.984 4.320 -0.007 0.000 0.215 1102 K C 1.983 178.610 176.600 0.046 0.000 1.053 1102 K CA 2.354 58.661 56.287 0.034 0.000 0.934 1102 K CB -0.350 32.174 32.500 0.039 0.000 0.717 1102 K HN 0.523 nan 8.250 nan 0.000 0.450 1103 E N 0.092 120.325 120.200 0.056 0.000 2.055 1103 E HA -0.251 4.095 4.350 -0.007 0.000 0.209 1103 E C 2.031 178.714 176.600 0.138 0.000 1.036 1103 E CA 2.247 58.698 56.400 0.085 0.000 0.849 1103 E CB -0.122 29.633 29.700 0.092 0.000 0.767 1103 E HN 0.287 nan 8.360 nan 0.000 0.461 1104 I N 0.340 120.988 120.570 0.130 0.000 2.118 1104 I HA -0.285 3.880 4.170 -0.007 0.000 0.241 1104 I C 2.415 178.607 176.117 0.125 0.000 1.070 1104 I CA 1.450 62.834 61.300 0.138 0.000 1.327 1104 I CB -1.035 36.963 38.000 -0.003 0.000 1.034 1104 I HN 0.211 nan 8.210 nan 0.000 0.405 1105 L N 0.383 121.639 121.223 0.055 0.000 2.201 1105 L HA -0.139 4.196 4.340 -0.007 0.000 0.212 1105 L C 2.094 179.002 176.870 0.063 0.000 1.105 1105 L CA 1.071 55.938 54.840 0.045 0.000 0.775 1105 L CB -0.734 41.330 42.059 0.008 0.000 0.913 1105 L HN 0.275 nan 8.230 nan 0.000 0.440 1106 N N -0.027 118.711 118.700 0.064 0.000 2.409 1106 N HA -0.040 4.696 4.740 -0.007 0.000 0.179 1106 N C 0.591 176.143 175.510 0.070 0.000 1.032 1106 N CA 0.955 54.027 53.050 0.038 0.000 0.898 1106 N CB 0.320 38.824 38.487 0.028 0.000 0.971 1106 N HN 0.127 nan 8.380 nan 0.000 0.441 1107 V N 0.148 120.160 119.914 0.164 0.000 5.820 1107 V HA -0.267 3.848 4.120 -0.007 0.000 0.300 1107 V C 0.542 176.641 176.094 0.009 0.000 0.585 1107 V CA 0.130 62.517 62.300 0.146 0.000 0.629 1107 V CB -3.086 28.812 31.823 0.126 0.000 0.291 1107 V HN 0.365 nan 8.190 nan 0.000 0.887 1108 A N 0.789 123.627 122.820 0.030 0.000 2.512 1108 A HA 0.247 4.563 4.320 -0.007 0.000 0.278 1108 A C 1.505 179.042 177.584 -0.079 0.000 1.128 1108 A CA 0.665 52.702 52.037 0.000 0.000 0.818 1108 A CB 0.185 19.219 19.000 0.057 0.000 1.044 1108 A HN 0.507 nan 8.150 nan 0.000 0.526 1109 K N 1.914 122.273 120.400 -0.068 0.000 2.021 1109 K HA -0.026 4.290 4.320 -0.007 0.000 0.205 1109 K C 0.974 177.537 176.600 -0.061 0.000 1.047 1109 K CA 1.021 57.260 56.287 -0.080 0.000 0.943 1109 K CB -0.178 32.294 32.500 -0.047 0.000 0.725 1109 K HN 0.800 nan 8.250 nan 0.000 0.439 1110 N N 2.480 121.159 118.700 -0.035 0.000 2.668 1110 N HA -0.065 4.671 4.740 -0.007 0.000 0.201 1110 N C 0.346 175.847 175.510 -0.015 0.000 1.408 1110 N CA 0.136 53.175 53.050 -0.018 0.000 0.905 1110 N CB -0.387 38.096 38.487 -0.006 0.000 1.093 1110 N HN 0.391 nan 8.380 nan 0.000 0.453 1111 M N -1.097 118.488 119.600 -0.025 0.000 2.248 1111 M HA 0.112 4.588 4.480 -0.007 0.000 0.345 1111 M C 0.754 177.052 176.300 -0.003 0.000 1.243 1111 M CA 0.371 55.664 55.300 -0.011 0.000 1.090 1111 M CB 0.924 33.517 32.600 -0.011 0.000 1.683 1111 M HN -0.312 nan 8.290 nan 0.000 0.450 1112 K N 0.950 121.355 120.400 0.008 0.000 2.262 1112 K HA 0.123 4.439 4.320 -0.007 0.000 0.200 1112 K C 0.162 176.766 176.600 0.006 0.000 1.049 1112 K CA 0.757 57.047 56.287 0.006 0.000 0.979 1112 K CB 0.589 33.094 32.500 0.009 0.000 0.773 1112 K HN 0.813 nan 8.250 nan 0.000 0.474 1113 T N 2.973 117.533 114.554 0.009 0.000 3.377 1113 T HA 0.268 4.614 4.350 -0.007 0.000 0.270 1113 T C -2.602 172.098 174.700 -0.000 0.000 1.586 1113 T CA -1.516 60.588 62.100 0.007 0.000 1.487 1113 T CB 0.956 69.832 68.868 0.014 0.000 0.994 1113 T HN -0.035 nan 8.240 nan 0.000 0.689 1114 P HA 0.412 nan 4.420 nan 0.000 0.296 1114 P C -0.055 177.232 177.300 -0.021 0.000 1.295 1114 P CA -0.185 62.900 63.100 -0.025 0.000 0.754 1114 P CB 0.501 32.181 31.700 -0.033 0.000 1.311 1115 S N -2.512 113.166 115.700 -0.036 0.000 2.884 1115 S HA 0.230 4.696 4.470 -0.007 0.000 0.258 1115 S C -2.301 172.255 174.600 -0.074 0.000 0.705 1115 S CA -0.743 57.435 58.200 -0.036 0.000 0.984 1115 S CB -0.684 62.509 63.200 -0.012 0.000 1.233 1115 S HN 0.232 nan 8.310 nan 0.000 0.542 1116 L N 3.113 124.299 121.223 -0.062 0.000 2.381 1116 L HA 0.906 5.242 4.340 -0.007 0.000 0.268 1116 L C -0.342 176.490 176.870 -0.063 0.000 0.997 1116 L CA 0.135 54.935 54.840 -0.067 0.000 0.818 1116 L CB 1.868 43.896 42.059 -0.051 0.000 1.310 1116 L HN 0.922 nan 8.230 nan 0.000 0.416 1117 T N 3.045 117.562 114.554 -0.062 0.000 3.335 1117 T HA 0.543 4.889 4.350 -0.007 0.000 0.321 1117 T C -0.902 173.667 174.700 -0.219 0.000 0.960 1117 T CA -0.529 61.505 62.100 -0.110 0.000 1.034 1117 T CB 1.416 70.281 68.868 -0.005 0.000 1.040 1117 T HN 0.437 nan 8.240 nan 0.000 0.454 1118 V N 1.176 120.894 119.914 -0.328 0.000 2.735 1118 V HA 0.890 5.006 4.120 -0.007 0.000 0.310 1118 V C -1.687 174.193 176.094 -0.357 0.000 1.061 1118 V CA -1.046 61.081 62.300 -0.288 0.000 0.913 1118 V CB 1.450 33.212 31.823 -0.101 0.000 1.005 1118 V HN 0.810 nan 8.190 nan 0.000 0.428 1119 Y N 2.439 122.776 120.300 0.062 0.000 2.545 1119 Y HA 0.710 5.256 4.550 -0.007 0.000 0.348 1119 Y C -0.020 175.920 175.900 0.067 0.000 1.002 1119 Y CA -1.267 56.876 58.100 0.072 0.000 1.039 1119 Y CB 1.781 40.297 38.460 0.093 0.000 1.271 1119 Y HN 0.577 nan 8.280 nan 0.000 0.467 1120 L N 1.751 123.148 121.223 0.288 0.000 2.503 1120 L HA -0.057 4.279 4.340 -0.007 0.000 0.287 1120 L C 0.619 177.596 176.870 0.178 0.000 1.252 1120 L CA 0.204 55.166 54.840 0.204 0.000 0.835 1120 L CB 0.082 42.273 42.059 0.220 0.000 1.099 1120 L HN 0.707 nan 8.230 nan 0.000 0.516 1121 E N 3.943 124.236 120.200 0.155 0.000 2.413 1121 E HA -0.011 4.335 4.350 -0.007 0.000 0.263 1121 E C -1.756 174.908 176.600 0.107 0.000 1.015 1121 E CA -0.995 55.486 56.400 0.136 0.000 0.916 1121 E CB 0.805 30.612 29.700 0.178 0.000 0.947 1121 E HN 0.409 nan 8.360 nan 0.000 0.440 1122 P HA -0.252 nan 4.420 nan 0.000 0.221 1122 P C 0.781 178.055 177.300 -0.043 0.000 1.160 1122 P CA 2.554 65.652 63.100 -0.003 0.000 0.933 1122 P CB 0.080 31.770 31.700 -0.015 0.000 0.793 1123 G N -2.494 106.229 108.800 -0.129 0.000 2.486 1123 G HA2 -0.092 3.864 3.960 -0.007 0.000 0.210 1123 G HA3 -0.092 3.864 3.960 -0.007 0.000 0.210 1123 G C 0.267 175.045 174.900 -0.204 0.000 1.168 1123 G CA 0.053 45.041 45.100 -0.187 0.000 0.820 1123 G HN 0.312 nan 8.290 nan 0.000 0.544 1124 H N 1.441 120.533 119.070 0.038 0.000 3.342 1124 H HA 0.392 4.944 4.556 -0.007 0.000 0.237 1124 H C 0.834 176.208 175.328 0.076 0.000 1.044 1124 H CA 0.452 56.531 56.048 0.052 0.000 1.436 1124 H CB 0.271 30.056 29.762 0.039 0.000 1.569 1124 H HN 0.330 nan 8.280 nan 0.000 0.507 1125 A N 2.807 125.717 122.820 0.150 0.000 1.761 1125 A HA 0.511 4.827 4.320 -0.007 0.000 0.168 1125 A C 1.223 178.948 177.584 0.236 0.000 1.884 1125 A CA 0.388 52.518 52.037 0.155 0.000 1.217 1125 A CB -0.258 18.785 19.000 0.071 0.000 0.934 1125 A HN 0.513 nan 8.150 nan 0.000 0.682 1126 A N 1.262 124.212 122.820 0.216 0.000 3.003 1126 A HA 0.418 4.734 4.320 -0.007 0.000 0.301 1126 A C -0.940 176.820 177.584 0.293 0.000 1.280 1126 A CA -0.315 51.941 52.037 0.365 0.000 0.973 1126 A CB -0.527 18.627 19.000 0.257 0.000 1.110 1126 A HN 0.339 nan 8.150 nan 0.000 0.590 1127 D N 1.514 122.031 120.400 0.195 0.000 2.398 1127 D HA 0.045 4.681 4.640 -0.007 0.000 0.250 1127 D C 1.483 177.784 176.300 0.001 0.000 1.287 1127 D CA 0.269 54.327 54.000 0.097 0.000 0.992 1127 D CB 0.969 41.813 40.800 0.073 0.000 1.071 1127 D HN 0.690 nan 8.370 nan 0.000 0.514 1128 Q N 2.001 121.814 119.800 0.021 0.000 2.234 1128 Q HA -0.231 4.105 4.340 -0.007 0.000 0.206 1128 Q C 1.477 177.309 176.000 -0.280 0.000 0.980 1128 Q CA 1.549 57.269 55.803 -0.138 0.000 0.869 1128 Q CB 0.021 28.838 28.738 0.132 0.000 0.912 1128 Q HN 0.531 nan 8.270 nan 0.000 0.436 1129 E N -0.080 120.034 120.200 -0.144 0.000 2.021 1129 E HA -0.247 4.099 4.350 -0.007 0.000 0.189 1129 E C 2.035 178.545 176.600 -0.150 0.000 0.980 1129 E CA 1.032 57.352 56.400 -0.133 0.000 0.803 1129 E CB -0.072 29.585 29.700 -0.071 0.000 0.766 1129 E HN 0.543 nan 8.360 nan 0.000 0.449 1130 Q N 0.803 120.537 119.800 -0.109 0.000 2.234 1130 Q HA -0.148 4.188 4.340 -0.007 0.000 0.206 1130 Q C 1.655 177.568 176.000 -0.144 0.000 0.980 1130 Q CA 1.741 57.472 55.803 -0.120 0.000 0.869 1130 Q CB -0.323 28.333 28.738 -0.138 0.000 0.912 1130 Q HN 0.301 nan 8.270 nan 0.000 0.436 1131 A N 0.542 123.234 122.820 -0.214 0.000 1.883 1131 A HA -0.255 4.061 4.320 -0.007 0.000 0.217 1131 A C 1.976 179.423 177.584 -0.228 0.000 1.186 1131 A CA 1.830 53.715 52.037 -0.253 0.000 0.624 1131 A CB -0.519 18.201 19.000 -0.465 0.000 0.822 1131 A HN 0.427 nan 8.150 nan 0.000 0.444 1132 K N -0.003 120.248 120.400 -0.248 0.000 2.015 1132 K HA -0.169 4.147 4.320 -0.007 0.000 0.216 1132 K C 1.841 178.342 176.600 -0.165 0.000 1.052 1132 K CA 1.862 58.020 56.287 -0.215 0.000 0.937 1132 K CB -0.636 31.748 32.500 -0.194 0.000 0.719 1132 K HN 0.509 nan 8.250 nan 0.000 0.446 1133 L N 0.866 122.005 121.223 -0.140 0.000 1.965 1133 L HA -0.316 4.020 4.340 -0.007 0.000 0.226 1133 L C 2.357 179.163 176.870 -0.106 0.000 1.083 1133 L CA 2.082 56.854 54.840 -0.113 0.000 0.790 1133 L CB -1.353 40.645 42.059 -0.102 0.000 0.898 1133 L HN 0.274 nan 8.230 nan 0.000 0.439 1134 I N -0.844 119.665 120.570 -0.102 0.000 2.121 1134 I HA -0.412 3.754 4.170 -0.007 0.000 0.243 1134 I C 2.707 178.774 176.117 -0.085 0.000 1.047 1134 I CA 1.778 63.028 61.300 -0.084 0.000 1.308 1134 I CB -0.802 37.153 38.000 -0.076 0.000 1.015 1134 I HN 0.260 nan 8.210 nan 0.000 0.410 1135 R N 1.457 121.888 120.500 -0.114 0.000 2.261 1135 R HA -0.293 4.042 4.340 -0.007 0.000 0.241 1135 R C 2.239 178.492 176.300 -0.078 0.000 1.113 1135 R CA 3.161 59.190 56.100 -0.118 0.000 0.908 1135 R CB -0.572 29.616 30.300 -0.186 0.000 0.938 1135 R HN 0.671 nan 8.270 nan 0.000 0.427 1136 S N -1.912 113.732 115.700 -0.094 0.000 2.614 1136 S HA 0.335 4.801 4.470 -0.007 0.000 0.230 1136 S C 0.967 175.531 174.600 -0.060 0.000 0.952 1136 S CA 0.095 58.249 58.200 -0.077 0.000 0.949 1136 S CB 1.267 64.403 63.200 -0.107 0.000 0.786 1136 S HN 0.468 nan 8.310 nan 0.000 0.478 1137 A N 0.959 123.744 122.820 -0.058 0.000 2.192 1137 A HA 0.445 4.761 4.320 -0.007 0.000 0.208 1137 A C 1.666 179.230 177.584 -0.033 0.000 1.220 1137 A CA 0.092 52.101 52.037 -0.047 0.000 0.900 1137 A CB 0.023 18.993 19.000 -0.050 0.000 0.937 1137 A HN 0.509 nan 8.150 nan 0.000 0.487 1138 I N -0.615 119.937 120.570 -0.030 0.000 3.194 1138 I HA 0.080 4.246 4.170 -0.007 0.000 0.271 1138 I C 1.098 177.222 176.117 0.011 0.000 1.150 1138 I CA 0.415 61.706 61.300 -0.016 0.000 1.440 1138 I CB -1.554 36.431 38.000 -0.024 0.000 1.276 1138 I HN 0.440 nan 8.210 nan 0.000 0.457 1139 E N 3.241 123.452 120.200 0.017 0.000 2.910 1139 E HA -0.254 4.092 4.350 -0.007 0.000 0.235 1139 E C 0.422 177.076 176.600 0.090 0.000 1.117 1139 E CA 0.170 56.599 56.400 0.048 0.000 0.944 1139 E CB -1.043 28.678 29.700 0.034 0.000 1.067 1139 E HN 0.335 nan 8.360 nan 0.000 0.445 1140 H N 2.011 121.072 119.070 -0.016 0.000 3.174 1140 H HA -0.163 4.389 4.556 -0.007 0.000 0.347 1140 H C -0.719 174.597 175.328 -0.020 0.000 1.160 1140 H CA 1.678 57.713 56.048 -0.021 0.000 1.332 1140 H CB 0.523 30.270 29.762 -0.024 0.000 1.227 1140 H HN 0.326 nan 8.280 nan 0.000 0.600 1141 T N 3.446 117.767 114.554 -0.388 0.000 4.227 1141 T HA 0.132 4.478 4.350 -0.007 0.000 0.299 1141 T C -0.698 173.850 174.700 -0.254 0.000 0.686 1141 T CA -0.244 61.705 62.100 -0.252 0.000 0.900 1141 T CB -0.330 68.489 68.868 -0.081 0.000 1.229 1141 T HN 0.907 nan 8.240 nan 0.000 0.466 1142 T N 1.153 115.534 114.554 -0.289 0.000 2.788 1142 T HA 0.509 4.855 4.350 -0.007 0.000 0.287 1142 T C 1.540 176.168 174.700 -0.119 0.000 1.007 1142 T CA -0.895 61.087 62.100 -0.197 0.000 1.005 1142 T CB 0.829 69.589 68.868 -0.180 0.000 1.012 1142 T HN 0.166 nan 8.240 nan 0.000 0.530 1143 L N 0.936 122.105 121.223 -0.089 0.000 1.970 1143 L HA -0.027 4.308 4.340 -0.007 0.000 0.212 1143 L C 2.641 179.472 176.870 -0.065 0.000 1.071 1143 L CA 1.942 56.740 54.840 -0.070 0.000 0.751 1143 L CB -1.520 40.511 42.059 -0.048 0.000 0.889 1143 L HN 0.932 nan 8.230 nan 0.000 0.432 1144 K N -0.521 119.844 120.400 -0.059 0.000 2.169 1144 K HA -0.285 4.031 4.320 -0.007 0.000 0.213 1144 K C 1.828 178.396 176.600 -0.053 0.000 1.050 1144 K CA 2.314 58.571 56.287 -0.049 0.000 0.935 1144 K CB -0.279 32.192 32.500 -0.050 0.000 0.722 1144 K HN 0.629 nan 8.250 nan 0.000 0.468 1145 S N -0.719 114.940 115.700 -0.069 0.000 2.528 1145 S HA -0.096 4.370 4.470 -0.007 0.000 0.244 1145 S C 1.507 176.075 174.600 -0.053 0.000 0.982 1145 S CA 1.206 59.366 58.200 -0.066 0.000 0.953 1145 S CB -0.083 63.068 63.200 -0.081 0.000 0.754 1145 S HN 0.292 nan 8.310 nan 0.000 0.529 1146 V N -2.779 117.104 119.914 -0.052 0.000 3.426 1146 V HA 0.212 4.328 4.120 -0.007 0.000 0.271 1146 V C 0.462 176.532 176.094 -0.040 0.000 1.530 1146 V CA -0.160 62.112 62.300 -0.047 0.000 1.021 1146 V CB -0.688 31.101 31.823 -0.058 0.000 0.824 1146 V HN 0.234 nan 8.190 nan 0.000 0.432 1147 T N 3.319 117.851 114.554 -0.038 0.000 2.799 1147 T HA 0.328 4.674 4.350 -0.007 0.000 0.296 1147 T C 1.227 175.915 174.700 -0.020 0.000 0.947 1147 T CA 0.177 62.260 62.100 -0.028 0.000 1.141 1147 T CB 1.212 70.065 68.868 -0.026 0.000 0.891 1147 T HN 0.022 nan 8.240 nan 0.000 0.533 1148 I N 1.967 122.529 120.570 -0.014 0.000 2.185 1148 I HA 0.164 4.330 4.170 -0.007 0.000 0.235 1148 I C 1.391 177.508 176.117 -0.001 0.000 1.069 1148 I CA 0.906 62.201 61.300 -0.008 0.000 1.354 1148 I CB -0.898 37.101 38.000 -0.002 0.000 1.093 1148 I HN 0.614 nan 8.210 nan 0.000 0.411 1149 A N 0.198 123.022 122.820 0.006 0.000 2.393 1149 A HA 0.581 4.897 4.320 -0.007 0.000 0.306 1149 A C -0.359 177.237 177.584 0.021 0.000 1.050 1149 A CA -0.305 51.742 52.037 0.017 0.000 0.724 1149 A CB 1.485 20.502 19.000 0.028 0.000 1.248 1149 A HN 0.274 nan 8.150 nan 0.000 0.424 1150 S N 2.030 117.746 115.700 0.027 0.000 2.519 1150 S HA 0.703 5.169 4.470 -0.007 0.000 0.309 1150 S C -0.693 173.939 174.600 0.053 0.000 1.100 1150 S CA -0.396 57.823 58.200 0.033 0.000 1.059 1150 S CB 1.102 64.317 63.200 0.025 0.000 1.008 1150 S HN 0.696 nan 8.310 nan 0.000 0.478 1151 E N 1.975 122.222 120.200 0.078 0.000 2.320 1151 E HA 0.593 4.939 4.350 -0.007 0.000 0.264 1151 E C -1.303 175.403 176.600 0.178 0.000 0.923 1151 E CA -0.910 55.581 56.400 0.151 0.000 0.796 1151 E CB 1.780 31.644 29.700 0.274 0.000 1.262 1151 E HN 0.593 nan 8.360 nan 0.000 0.428 1152 I N 2.537 123.266 120.570 0.265 0.000 2.698 1152 I HA 0.175 4.340 4.170 -0.007 0.000 0.276 1152 I C -1.422 174.944 176.117 0.415 0.000 1.166 1152 I CA -0.235 61.219 61.300 0.257 0.000 1.101 1152 I CB 0.179 38.224 38.000 0.075 0.000 1.305 1152 I HN 0.332 nan 8.210 nan 0.000 0.526 1153 Y N 3.028 123.433 120.300 0.174 0.000 2.301 1153 Y HA 0.198 4.744 4.550 -0.007 0.000 0.325 1153 Y C 0.081 176.246 175.900 0.441 0.000 1.203 1153 Y CA -1.074 57.181 58.100 0.258 0.000 1.255 1153 Y CB 0.299 38.861 38.460 0.169 0.000 1.232 1153 Y HN 0.359 nan 8.280 nan 0.000 0.501 1154 Y N 3.491 124.110 120.300 0.531 0.000 2.531 1154 Y HA 0.210 4.756 4.550 -0.007 0.000 0.347 1154 Y C -0.335 175.637 175.900 0.121 0.000 1.024 1154 Y CA 0.179 58.406 58.100 0.211 0.000 1.306 1154 Y CB 0.172 38.667 38.460 0.058 0.000 1.149 1154 Y HN 0.555 nan 8.280 nan 0.000 0.527 1155 D N 9.215 129.585 120.400 -0.050 0.000 2.478 1155 D HA 0.180 4.816 4.640 -0.007 0.000 0.240 1155 D C -2.557 173.617 176.300 -0.210 0.000 1.364 1155 D CA -1.756 52.278 54.000 0.056 0.000 0.987 1155 D CB 2.340 43.203 40.800 0.105 0.000 1.328 1155 D HN 0.292 nan 8.370 nan 0.000 0.584 1156 P HA 0.114 nan 4.420 nan 0.000 0.245 1156 P C 0.130 177.344 177.300 -0.143 0.000 1.199 1156 P CA 0.131 63.019 63.100 -0.354 0.000 0.807 1156 P CB 0.750 32.374 31.700 -0.127 0.000 1.002 1157 D N 1.166 121.533 120.400 -0.055 0.000 2.500 1157 D HA 0.172 4.808 4.640 -0.007 0.000 0.219 1157 D C -1.572 174.719 176.300 -0.014 0.000 1.137 1157 D CA -2.551 51.439 54.000 -0.017 0.000 0.946 1157 D CB 0.685 41.496 40.800 0.017 0.000 1.022 1157 D HN -0.029 nan 8.370 nan 0.000 0.518 1158 P HA -0.213 nan 4.420 nan 0.000 0.213 1158 P C 1.285 178.592 177.300 0.011 0.000 1.170 1158 P CA 1.150 64.234 63.100 -0.025 0.000 0.902 1158 P CB 0.165 31.816 31.700 -0.082 0.000 0.789 1159 R N 0.171 120.674 120.500 0.004 0.000 2.139 1159 R HA -0.026 4.310 4.340 -0.007 0.000 0.243 1159 R C 1.187 177.512 176.300 0.042 0.000 1.145 1159 R CA 1.510 57.628 56.100 0.029 0.000 0.976 1159 R CB -1.147 29.155 30.300 0.005 0.000 0.866 1159 R HN 0.423 nan 8.270 nan 0.000 0.449 1160 S N -1.347 114.372 115.700 0.032 0.000 2.625 1160 S HA 0.406 4.872 4.470 -0.007 0.000 0.271 1160 S C -0.543 174.083 174.600 0.044 0.000 1.161 1160 S CA -0.968 57.255 58.200 0.040 0.000 0.820 1160 S CB 2.544 65.768 63.200 0.040 0.000 1.137 1160 S HN -0.055 nan 8.310 nan 0.000 0.470 1161 T N 1.202 115.783 114.554 0.046 0.000 2.927 1161 T HA 0.458 4.804 4.350 -0.007 0.000 0.281 1161 T C 1.407 176.148 174.700 0.068 0.000 0.998 1161 T CA -0.465 61.668 62.100 0.056 0.000 1.019 1161 T CB 1.312 70.204 68.868 0.040 0.000 1.061 1161 T HN 0.667 nan 8.240 nan 0.000 0.518 1162 V N 0.603 120.575 119.914 0.096 0.000 3.041 1162 V HA 0.185 4.301 4.120 -0.007 0.000 0.260 1162 V C 0.626 176.794 176.094 0.123 0.000 1.105 1162 V CA 0.957 63.330 62.300 0.122 0.000 1.125 1162 V CB -0.841 31.091 31.823 0.182 0.000 0.730 1162 V HN 0.613 nan 8.190 nan 0.000 0.479 1163 I N 0.231 120.859 120.570 0.097 0.000 2.410 1163 I HA 0.338 4.504 4.170 -0.007 0.000 0.286 1163 I C -1.625 174.525 176.117 0.055 0.000 1.009 1163 I CA -2.111 59.247 61.300 0.096 0.000 1.111 1163 I CB 1.880 39.925 38.000 0.076 0.000 1.262 1163 I HN -0.105 nan 8.210 nan 0.000 0.443 1164 P HA -0.280 nan 4.420 nan 0.000 0.226 1164 P C 1.076 178.390 177.300 0.023 0.000 1.154 1164 P CA 1.838 64.960 63.100 0.037 0.000 0.918 1164 P CB 0.219 31.942 31.700 0.039 0.000 0.790 1165 E N -1.235 118.979 120.200 0.023 0.000 2.106 1165 E HA -0.133 4.213 4.350 -0.007 0.000 0.192 1165 E C 0.696 177.294 176.600 -0.002 0.000 0.984 1165 E CA 0.904 57.311 56.400 0.011 0.000 0.806 1165 E CB -0.512 29.197 29.700 0.014 0.000 0.750 1165 E HN 0.311 nan 8.360 nan 0.000 0.458 1166 D N 0.627 121.023 120.400 -0.007 0.000 2.519 1166 D HA -0.039 4.597 4.640 -0.007 0.000 0.238 1166 D C 1.105 177.401 176.300 -0.006 0.000 1.192 1166 D CA 0.186 54.176 54.000 -0.017 0.000 0.835 1166 D CB 0.094 40.879 40.800 -0.025 0.000 0.975 1166 D HN 0.214 nan 8.370 nan 0.000 0.490 1167 E N 0.820 121.021 120.200 0.002 0.000 2.086 1167 E HA -0.142 4.204 4.350 -0.007 0.000 0.190 1167 E C 1.387 177.983 176.600 -0.006 0.000 0.975 1167 E CA 0.430 56.833 56.400 0.005 0.000 0.813 1167 E CB 0.252 29.962 29.700 0.016 0.000 0.768 1167 E HN 0.272 nan 8.360 nan 0.000 0.457 1168 E N 0.244 120.435 120.200 -0.015 0.000 2.119 1168 E HA -0.251 4.095 4.350 -0.007 0.000 0.221 1168 E C 1.925 178.491 176.600 -0.057 0.000 1.062 1168 E CA 2.229 58.611 56.400 -0.031 0.000 0.894 1168 E CB -0.319 29.356 29.700 -0.041 0.000 0.785 1168 E HN 0.278 nan 8.360 nan 0.000 0.472 1169 I N 0.865 121.391 120.570 -0.072 0.000 3.055 1169 I HA -0.257 3.909 4.170 -0.007 0.000 0.277 1169 I C 1.546 177.586 176.117 -0.128 0.000 1.306 1169 I CA 0.630 61.857 61.300 -0.123 0.000 1.426 1169 I CB -0.285 37.660 38.000 -0.091 0.000 1.081 1169 I HN 0.219 nan 8.210 nan 0.000 0.502 1170 I N -0.681 119.850 120.570 -0.065 0.000 3.196 1170 I HA -0.025 4.141 4.170 -0.007 0.000 0.248 1170 I C 2.347 178.475 176.117 0.019 0.000 1.105 1170 I CA 0.678 61.974 61.300 -0.007 0.000 1.482 1170 I CB -1.660 36.356 38.000 0.027 0.000 1.400 1170 I HN 0.246 nan 8.210 nan 0.000 0.464 1171 Q N 2.612 122.435 119.800 0.037 0.000 2.028 1171 Q HA -0.190 4.146 4.340 -0.007 0.000 0.213 1171 Q C 1.228 177.192 176.000 -0.061 0.000 1.017 1171 Q CA 1.566 57.438 55.803 0.115 0.000 0.875 1171 Q CB -0.969 27.812 28.738 0.072 0.000 0.962 1171 Q HN 0.482 nan 8.270 nan 0.000 0.413 1172 L N 1.367 122.454 121.223 -0.226 0.000 2.869 1172 L HA 0.145 4.481 4.340 -0.007 0.000 0.240 1172 L C -0.182 176.290 176.870 -0.665 0.000 1.448 1172 L CA 0.203 54.759 54.840 -0.474 0.000 1.158 1172 L CB -1.020 40.837 42.059 -0.336 0.000 1.497 1172 L HN 0.201 nan 8.230 nan 0.000 0.447 1173 H N 2.853 121.438 119.070 -0.808 0.000 2.607 1173 H HA 0.365 4.917 4.556 -0.007 0.000 0.248 1173 H C -0.812 174.294 175.328 -0.370 0.000 1.355 1173 H CA -1.275 54.440 56.048 -0.555 0.000 1.524 1173 H CB 0.488 30.055 29.762 -0.326 0.000 1.563 1173 H HN 0.480 nan 8.280 nan 0.000 0.509 1174 F N 0.363 120.393 119.950 0.133 0.000 3.432 1174 F HA 0.201 4.724 4.527 -0.007 0.000 0.491 1174 F C -0.954 174.871 175.800 0.041 0.000 0.731 1174 F CA -0.574 57.459 58.000 0.055 0.000 1.401 1174 F CB -0.753 38.268 39.000 0.036 0.000 3.003 1174 F HN 0.198 nan 8.300 nan 0.000 0.612 1175 S N 1.787 117.517 115.700 0.051 0.000 2.626 1175 S HA 0.621 5.087 4.470 -0.007 0.000 0.275 1175 S C -0.780 173.838 174.600 0.030 0.000 1.175 1175 S CA -0.557 57.675 58.200 0.053 0.000 0.982 1175 S CB 1.257 64.479 63.200 0.037 0.000 1.093 1175 S HN 0.666 nan 8.310 nan 0.000 0.472 1188 Q N 1.937 121.669 119.800 -0.114 0.000 2.295 1188 Q HA 0.482 4.818 4.340 -0.007 0.000 0.259 1188 Q C -0.526 175.427 176.000 -0.078 0.000 0.976 1188 Q CA -0.014 55.717 55.803 -0.120 0.000 0.923 1188 Q CB 1.326 29.921 28.738 -0.240 0.000 1.185 1188 Q HN 0.360 nan 8.270 nan 0.000 0.410 1189 S N 3.670 119.357 115.700 -0.022 0.000 2.645 1189 S HA 0.336 4.802 4.470 -0.007 0.000 0.266 1189 S C -1.643 172.888 174.600 -0.114 0.000 1.258 1189 S CA -1.308 56.865 58.200 -0.045 0.000 0.990 1189 S CB 0.731 63.938 63.200 0.011 0.000 0.967 1189 S HN 0.510 nan 8.310 nan 0.000 0.556 1190 P HA 0.055 nan 4.420 nan 0.000 0.234 1190 P C -0.532 176.464 177.300 -0.508 0.000 1.167 1190 P CA 0.645 63.404 63.100 -0.569 0.000 0.763 1190 P CB -0.161 30.992 31.700 -0.911 0.000 0.835 1191 W N 0.861 122.033 121.300 -0.213 0.000 2.283 1191 W HA 0.415 5.071 4.660 -0.007 0.000 0.317 1191 W C -0.101 176.391 176.519 -0.045 0.000 1.042 1191 W CA -1.268 56.000 57.345 -0.127 0.000 1.348 1191 W CB 0.795 30.217 29.460 -0.064 0.000 1.216 1191 W HN -0.171 nan 8.180 nan 0.000 0.404 1192 L N 5.894 127.279 121.223 0.270 0.000 2.290 1192 L HA 0.403 4.739 4.340 -0.007 0.000 0.284 1192 L C -0.440 176.520 176.870 0.150 0.000 1.078 1192 L CA -0.610 54.331 54.840 0.169 0.000 0.815 1192 L CB 0.327 42.465 42.059 0.130 0.000 1.162 1192 L HN 0.277 nan 8.230 nan 0.000 0.435 1193 L N 6.447 127.725 121.223 0.091 0.000 2.265 1193 L HA 0.463 4.799 4.340 -0.007 0.000 0.288 1193 L C -0.473 176.420 176.870 0.039 0.000 1.058 1193 L CA -0.007 54.868 54.840 0.058 0.000 0.809 1193 L CB 0.581 42.658 42.059 0.031 0.000 1.179 1193 L HN 0.837 nan 8.230 nan 0.000 0.429 1194 R N 6.525 127.038 120.500 0.022 0.000 2.363 1194 R HA 0.471 4.807 4.340 -0.007 0.000 0.297 1194 R C -1.357 174.936 176.300 -0.012 0.000 1.208 1194 R CA -0.584 55.501 56.100 -0.025 0.000 1.121 1194 R CB 0.447 30.661 30.300 -0.144 0.000 1.124 1194 R HN 0.745 nan 8.270 nan 0.000 0.561 1195 L N 2.842 124.070 121.223 0.007 0.000 2.331 1195 L HA 0.345 4.681 4.340 -0.007 0.000 0.278 1195 L C 0.500 177.367 176.870 -0.005 0.000 1.106 1195 L CA -0.168 54.675 54.840 0.005 0.000 0.824 1195 L CB 1.087 43.151 42.059 0.007 0.000 1.142 1195 L HN 0.566 nan 8.230 nan 0.000 0.443 1196 E N 2.956 123.152 120.200 -0.006 0.000 2.283 1196 E HA 0.537 4.883 4.350 -0.007 0.000 0.271 1196 E C -1.233 175.359 176.600 -0.014 0.000 1.031 1196 E CA -0.634 55.761 56.400 -0.008 0.000 0.868 1196 E CB 1.389 31.089 29.700 -0.001 0.000 1.094 1196 E HN 0.454 nan 8.360 nan 0.000 0.401 1197 L N 2.869 124.080 121.223 -0.020 0.000 2.346 1197 L HA 0.309 4.645 4.340 -0.007 0.000 0.276 1197 L C -0.335 176.518 176.870 -0.027 0.000 1.006 1197 L CA -1.040 53.781 54.840 -0.031 0.000 0.817 1197 L CB 1.772 43.803 42.059 -0.048 0.000 1.272 1197 L HN 0.570 nan 8.230 nan 0.000 0.421 1198 D N 1.718 122.101 120.400 -0.028 0.000 2.350 1198 D HA 0.093 4.728 4.640 -0.007 0.000 0.249 1198 D C 0.990 177.274 176.300 -0.025 0.000 1.119 1198 D CA -0.101 53.885 54.000 -0.023 0.000 0.886 1198 D CB 1.544 42.331 40.800 -0.021 0.000 1.195 1198 D HN 0.368 nan 8.370 nan 0.000 0.437 1199 R N 3.260 123.748 120.500 -0.020 0.000 2.143 1199 R HA -0.252 4.083 4.340 -0.007 0.000 0.239 1199 R C 1.798 178.085 176.300 -0.022 0.000 1.126 1199 R CA 2.499 58.587 56.100 -0.020 0.000 0.927 1199 R CB -0.878 29.413 30.300 -0.014 0.000 0.860 1199 R HN 0.625 nan 8.270 nan 0.000 0.433 1200 A N -0.153 122.656 122.820 -0.019 0.000 2.807 1200 A HA -0.343 3.973 4.320 -0.007 0.000 0.224 1200 A C 2.215 179.787 177.584 -0.021 0.000 1.191 1200 A CA 2.997 55.023 52.037 -0.018 0.000 1.069 1200 A CB -1.842 17.148 19.000 -0.017 0.000 0.647 1200 A HN 0.676 nan 8.150 nan 0.000 0.512 1201 A N -2.607 120.199 122.820 -0.023 0.000 2.067 1201 A HA -0.281 4.035 4.320 -0.007 0.000 0.224 1201 A C 2.076 179.641 177.584 -0.031 0.000 1.172 1201 A CA 2.878 54.901 52.037 -0.024 0.000 0.662 1201 A CB -0.692 18.289 19.000 -0.032 0.000 0.814 1201 A HN 0.609 nan 8.150 nan 0.000 0.468 1202 M N 0.014 119.592 119.600 -0.036 0.000 2.117 1202 M HA -0.105 4.371 4.480 -0.007 0.000 0.262 1202 M C 1.626 177.903 176.300 -0.038 0.000 1.065 1202 M CA 1.293 56.567 55.300 -0.044 0.000 1.114 1202 M CB -1.699 30.872 32.600 -0.049 0.000 1.361 1202 M HN 0.513 nan 8.290 nan 0.000 0.408 1203 N N 0.617 119.300 118.700 -0.029 0.000 2.174 1203 N HA -0.128 4.608 4.740 -0.007 0.000 0.191 1203 N C 1.376 176.872 175.510 -0.022 0.000 1.059 1203 N CA 1.064 54.098 53.050 -0.026 0.000 0.889 1203 N CB -1.217 37.259 38.487 -0.020 0.000 1.069 1203 N HN 0.251 nan 8.380 nan 0.000 0.461 1204 D N 1.268 121.663 120.400 -0.008 0.000 3.348 1204 D HA -0.238 4.398 4.640 -0.007 0.000 0.303 1204 D C -0.124 176.171 176.300 -0.008 0.000 1.138 1204 D CA 1.654 55.661 54.000 0.012 0.000 1.017 1204 D CB -0.255 40.566 40.800 0.034 0.000 1.037 1204 D HN 0.280 nan 8.370 nan 0.000 0.525 1205 K N 0.826 121.217 120.400 -0.015 0.000 2.202 1205 K HA 0.109 4.425 4.320 -0.007 0.000 0.264 1205 K C -0.200 176.370 176.600 -0.050 0.000 1.010 1205 K CA -0.395 55.873 56.287 -0.031 0.000 0.940 1205 K CB 0.495 32.979 32.500 -0.027 0.000 0.983 1205 K HN 0.196 nan 8.250 nan 0.000 0.475 1206 D N 3.256 123.620 120.400 -0.060 0.000 2.383 1206 D HA 0.133 4.769 4.640 -0.007 0.000 0.245 1206 D C -0.463 175.800 176.300 -0.062 0.000 1.263 1206 D CA 0.509 54.469 54.000 -0.066 0.000 0.936 1206 D CB 0.238 40.992 40.800 -0.076 0.000 1.053 1206 D HN 0.180 nan 8.370 nan 0.000 0.507 1207 L N 1.742 122.928 121.223 -0.061 0.000 2.588 1207 L HA 0.181 4.516 4.340 -0.007 0.000 0.263 1207 L C -0.639 176.187 176.870 -0.075 0.000 0.935 1207 L CA -0.560 54.239 54.840 -0.069 0.000 0.891 1207 L CB 2.517 44.534 42.059 -0.069 0.000 1.318 1207 L HN 0.125 nan 8.230 nan 0.000 0.409 1208 T N 0.224 114.722 114.554 -0.093 0.000 2.893 1208 T HA 0.254 4.599 4.350 -0.007 0.000 0.324 1208 T C 1.348 175.930 174.700 -0.197 0.000 1.082 1208 T CA -0.747 61.282 62.100 -0.120 0.000 0.983 1208 T CB 1.504 70.314 68.868 -0.096 0.000 1.005 1208 T HN 0.380 nan 8.240 nan 0.000 0.475 1209 M N 2.425 121.878 119.600 -0.245 0.000 2.190 1209 M HA -0.206 4.270 4.480 -0.007 0.000 0.252 1209 M C 2.481 178.340 176.300 -0.736 0.000 1.076 1209 M CA 2.567 57.602 55.300 -0.442 0.000 1.079 1209 M CB -1.568 30.792 32.600 -0.399 0.000 1.303 1209 M HN 0.847 nan 8.290 nan 0.000 0.412 1210 G N -1.432 107.026 108.800 -0.570 0.000 2.421 1210 G HA2 -0.277 3.679 3.960 -0.007 0.000 0.216 1210 G HA3 -0.277 3.679 3.960 -0.007 0.000 0.216 1210 G C 1.412 176.106 174.900 -0.342 0.000 1.171 1210 G CA 1.101 45.925 45.100 -0.460 0.000 0.775 1210 G HN 0.575 nan 8.290 nan 0.000 0.543 1211 Q N -0.294 119.362 119.800 -0.240 0.000 2.135 1211 Q HA -0.110 4.226 4.340 -0.007 0.000 0.204 1211 Q C 2.701 178.586 176.000 -0.192 0.000 0.981 1211 Q CA 1.716 57.423 55.803 -0.161 0.000 0.856 1211 Q CB -0.119 28.547 28.738 -0.121 0.000 0.902 1211 Q HN 0.395 nan 8.270 nan 0.000 0.425 1212 V N -0.472 119.273 119.914 -0.282 0.000 2.221 1212 V HA -0.183 3.933 4.120 -0.007 0.000 0.240 1212 V C 2.207 178.137 176.094 -0.273 0.000 1.041 1212 V CA 1.800 63.943 62.300 -0.263 0.000 0.991 1212 V CB -1.679 29.957 31.823 -0.313 0.000 0.634 1212 V HN 0.614 nan 8.190 nan 0.000 0.450 1213 G N 0.517 109.015 108.800 -0.503 0.000 2.783 1213 G HA2 -0.350 3.605 3.960 -0.007 0.000 0.225 1213 G HA3 -0.350 3.605 3.960 -0.007 0.000 0.225 1213 G C 1.345 176.148 174.900 -0.161 0.000 1.191 1213 G CA 1.490 46.270 45.100 -0.533 0.000 0.774 1213 G HN 0.625 nan 8.290 nan 0.000 0.632 1214 E N -0.054 120.066 120.200 -0.133 0.000 2.347 1214 E HA -0.044 4.301 4.350 -0.007 0.000 0.196 1214 E C 2.679 179.263 176.600 -0.027 0.000 1.008 1214 E CA 0.356 56.753 56.400 -0.006 0.000 0.852 1214 E CB -0.075 29.637 29.700 0.021 0.000 0.783 1214 E HN 0.169 nan 8.360 nan 0.000 0.505 1215 R N 1.340 121.796 120.500 -0.074 0.000 2.073 1215 R HA -0.047 4.289 4.340 -0.007 0.000 0.234 1215 R C 2.214 178.480 176.300 -0.058 0.000 1.134 1215 R CA 1.012 57.070 56.100 -0.070 0.000 0.952 1215 R CB -0.588 29.657 30.300 -0.091 0.000 0.850 1215 R HN 0.218 nan 8.270 nan 0.000 0.433 1216 I N -0.161 120.393 120.570 -0.027 0.000 2.315 1216 I HA -0.207 3.959 4.170 -0.007 0.000 0.248 1216 I C 2.318 178.536 176.117 0.167 0.000 1.117 1216 I CA 1.148 62.479 61.300 0.052 0.000 1.404 1216 I CB -0.296 37.761 38.000 0.095 0.000 1.071 1216 I HN 0.107 nan 8.210 nan 0.000 0.419 1217 K N 1.129 121.604 120.400 0.126 0.000 2.062 1217 K HA -0.097 4.219 4.320 -0.007 0.000 0.205 1217 K C 1.576 178.240 176.600 0.107 0.000 1.051 1217 K CA 0.910 57.286 56.287 0.149 0.000 0.941 1217 K CB 0.090 32.668 32.500 0.130 0.000 0.719 1217 K HN 0.392 nan 8.250 nan 0.000 0.440 1218 Q N -0.101 119.720 119.800 0.035 0.000 2.307 1218 Q HA 0.007 4.343 4.340 -0.007 0.000 0.216 1218 Q C 0.206 176.180 176.000 -0.043 0.000 0.931 1218 Q CA 0.531 56.337 55.803 0.004 0.000 0.953 1218 Q CB 0.522 29.249 28.738 -0.018 0.000 1.006 1218 Q HN 0.171 nan 8.270 nan 0.000 0.472 1219 T N -1.587 112.919 114.554 -0.080 0.000 2.980 1219 T HA 0.207 4.553 4.350 -0.007 0.000 0.252 1219 T C 0.867 175.417 174.700 -0.250 0.000 0.962 1219 T CA -0.000 61.925 62.100 -0.292 0.000 0.932 1219 T CB 0.175 68.682 68.868 -0.602 0.000 1.188 1219 T HN 0.305 nan 8.240 nan 0.000 0.500 1220 F N 0.407 120.366 119.950 0.015 0.000 2.747 1220 F HA 0.374 4.897 4.527 -0.007 0.000 0.305 1220 F C 1.463 177.279 175.800 0.026 0.000 1.065 1220 F CA -0.384 57.629 58.000 0.022 0.000 1.230 1220 F CB 0.625 39.641 39.000 0.027 0.000 1.027 1220 F HN -0.083 nan 8.300 nan 0.000 0.607 1221 K N 1.269 121.778 120.400 0.182 0.000 6.395 1221 K HA -0.366 3.950 4.320 -0.007 0.000 0.314 1221 K C -0.873 175.798 176.600 0.118 0.000 0.630 1221 K CA 2.394 58.748 56.287 0.111 0.000 1.058 1221 K CB -1.256 31.289 32.500 0.076 0.000 0.792 1221 K HN 0.328 nan 8.250 nan 0.000 0.909 1222 N N 1.650 120.411 118.700 0.103 0.000 2.898 1222 N HA 0.233 4.969 4.740 -0.007 0.000 0.245 1222 N C -1.302 174.257 175.510 0.082 0.000 1.185 1222 N CA 0.240 53.343 53.050 0.089 0.000 0.879 1222 N CB 1.307 39.835 38.487 0.069 0.000 1.157 1222 N HN 0.484 nan 8.380 nan 0.000 0.503 1223 D N 1.562 122.013 120.400 0.085 0.000 3.285 1223 D HA 0.128 4.764 4.640 -0.007 0.000 0.314 1223 D C -0.822 175.461 176.300 -0.028 0.000 1.601 1223 D CA -0.234 53.789 54.000 0.038 0.000 0.772 1223 D CB -0.091 40.733 40.800 0.041 0.000 1.312 1223 D HN 0.273 nan 8.370 nan 0.000 0.550 1224 L N 0.278 121.516 121.223 0.025 0.000 2.948 1224 L HA 0.586 4.922 4.340 -0.007 0.000 0.248 1224 L C -2.502 174.441 176.870 0.121 0.000 0.977 1224 L CA -0.769 54.068 54.840 -0.005 0.000 1.002 1224 L CB 1.725 43.678 42.059 -0.176 0.000 1.519 1224 L HN -0.019 nan 8.230 nan 0.000 0.422 1225 F N 4.082 124.021 119.950 -0.019 0.000 2.579 1225 F HA 0.954 5.477 4.527 -0.007 0.000 0.324 1225 F C -1.259 174.556 175.800 0.024 0.000 1.058 1225 F CA -0.511 57.489 58.000 0.000 0.000 0.944 1225 F CB 2.050 41.043 39.000 -0.012 0.000 1.245 1225 F HN 0.335 nan 8.300 nan 0.000 0.477 1226 V N 5.303 124.484 119.914 -1.221 0.000 2.966 1226 V HA 0.502 4.617 4.120 -0.007 0.000 0.288 1226 V C -0.851 174.911 176.094 -0.553 0.000 1.380 1226 V CA -0.828 61.142 62.300 -0.551 0.000 0.966 1226 V CB 1.615 33.381 31.823 -0.095 0.000 1.115 1226 V HN 0.821 nan 8.190 nan 0.000 0.436 1227 I N 2.298 122.728 120.570 -0.233 0.000 3.149 1227 I HA 0.729 4.894 4.170 -0.007 0.000 0.310 1227 I C -1.301 174.921 176.117 0.175 0.000 1.343 1227 I CA -0.548 60.493 61.300 -0.433 0.000 0.955 1227 I CB 2.545 40.394 38.000 -0.253 0.000 1.309 1227 I HN 0.847 nan 8.210 nan 0.000 0.478 1228 W N -0.081 121.169 121.300 -0.083 0.000 2.940 1228 W HA 0.733 5.389 4.660 -0.007 0.000 0.394 1228 W C -1.161 175.280 176.519 -0.130 0.000 1.155 1228 W CA -0.840 56.450 57.345 -0.092 0.000 1.165 1228 W CB 0.315 29.732 29.460 -0.070 0.000 1.492 1228 W HN 0.259 nan 8.180 nan 0.000 0.593 1229 S N 0.209 116.098 115.700 0.314 0.000 2.672 1229 S HA 0.294 4.759 4.470 -0.007 0.000 0.276 1229 S C -0.303 174.424 174.600 0.212 0.000 1.207 1229 S CA -0.828 57.445 58.200 0.121 0.000 1.002 1229 S CB 1.590 64.827 63.200 0.061 0.000 0.998 1229 S HN 0.448 nan 8.310 nan 0.000 0.542 1230 E N -0.132 120.130 120.200 0.104 0.000 2.397 1230 E HA 0.039 4.385 4.350 -0.007 0.000 0.254 1230 E C -0.271 176.374 176.600 0.074 0.000 1.231 1230 E CA -0.235 56.252 56.400 0.145 0.000 0.954 1230 E CB 0.297 30.040 29.700 0.070 0.000 1.024 1230 E HN 0.542 nan 8.360 nan 0.000 0.481 1231 D N 0.118 120.540 120.400 0.037 0.000 2.379 1231 D HA -0.036 4.600 4.640 -0.007 0.000 0.243 1231 D C 0.104 176.399 176.300 -0.009 0.000 1.088 1231 D CA 0.610 54.603 54.000 -0.011 0.000 0.925 1231 D CB 0.136 40.918 40.800 -0.029 0.000 0.888 1231 D HN 0.232 nan 8.370 nan 0.000 0.529 1232 N N -0.634 118.067 118.700 0.002 0.000 2.218 1232 N HA -0.008 4.727 4.740 -0.007 0.000 0.224 1232 N C -0.302 175.208 175.510 -0.000 0.000 1.248 1232 N CA -0.136 52.914 53.050 -0.001 0.000 0.875 1232 N CB 0.838 39.326 38.487 0.003 0.000 1.165 1232 N HN 0.070 nan 8.380 nan 0.000 0.485 1233 D N 1.750 122.153 120.400 0.004 0.000 2.390 1233 D HA -0.063 4.572 4.640 -0.007 0.000 0.236 1233 D C 1.445 177.745 176.300 -0.000 0.000 1.189 1233 D CA 0.304 54.306 54.000 0.002 0.000 0.887 1233 D CB 1.322 42.126 40.800 0.006 0.000 1.198 1233 D HN 0.290 nan 8.370 nan 0.000 0.444 1234 E N 1.334 121.533 120.200 -0.001 0.000 2.017 1234 E HA -0.161 4.185 4.350 -0.007 0.000 0.193 1234 E C 0.142 176.741 176.600 -0.001 0.000 0.997 1234 E CA 0.974 57.373 56.400 -0.001 0.000 0.804 1234 E CB 0.247 29.947 29.700 0.000 0.000 0.757 1234 E HN 0.195 nan 8.360 nan 0.000 0.448 1235 K N 0.816 121.216 120.400 0.000 0.000 2.185 1235 K HA 0.290 4.606 4.320 -0.007 0.000 0.269 1235 K C -0.863 175.738 176.600 0.002 0.000 0.987 1235 K CA -0.510 55.777 56.287 -0.000 0.000 0.865 1235 K CB 1.125 33.625 32.500 0.001 0.000 1.090 1235 K HN 0.192 nan 8.250 nan 0.000 0.450 1236 L N 6.782 128.005 121.223 -0.001 0.000 2.363 1236 L HA 0.309 4.645 4.340 -0.007 0.000 0.286 1236 L C -0.511 176.362 176.870 0.004 0.000 1.106 1236 L CA 0.035 54.874 54.840 -0.001 0.000 0.859 1236 L CB 0.002 42.051 42.059 -0.018 0.000 1.223 1236 L HN 0.557 nan 8.230 nan 0.000 0.446 1237 I N 3.195 123.784 120.570 0.030 0.000 3.095 1237 I HA 0.453 4.619 4.170 -0.007 0.000 0.310 1237 I C -0.673 175.504 176.117 0.099 0.000 1.196 1237 I CA -0.733 60.589 61.300 0.037 0.000 0.985 1237 I CB 3.031 41.044 38.000 0.022 0.000 1.250 1237 I HN 0.205 nan 8.210 nan 0.000 0.446 1238 I N 2.824 123.436 120.570 0.071 0.000 2.530 1238 I HA 0.506 4.672 4.170 -0.007 0.000 0.297 1238 I C -0.449 175.717 176.117 0.082 0.000 1.011 1238 I CA -0.641 60.739 61.300 0.134 0.000 1.107 1238 I CB 1.889 39.946 38.000 0.093 0.000 1.285 1238 I HN 0.513 nan 8.210 nan 0.000 0.436 1239 R N 4.100 124.660 120.500 0.100 0.000 2.599 1239 R HA 0.714 5.050 4.340 -0.007 0.000 0.295 1239 R C -1.519 174.815 176.300 0.057 0.000 0.963 1239 R CA -0.510 55.622 56.100 0.053 0.000 0.883 1239 R CB 2.085 32.405 30.300 0.034 0.000 1.171 1239 R HN 0.580 nan 8.270 nan 0.000 0.450 1240 C N 2.118 121.457 119.300 0.065 0.000 2.608 1240 C HA 0.552 5.008 4.460 -0.007 0.000 0.325 1240 C C -0.426 174.622 174.990 0.096 0.000 1.147 1240 C CA -1.091 57.968 59.018 0.067 0.000 1.359 1240 C CB 1.709 29.474 27.740 0.042 0.000 1.912 1240 C HN 0.793 nan 8.230 nan 0.000 0.466 1241 R N 1.876 122.463 120.500 0.146 0.000 2.686 1241 R HA 0.734 5.070 4.340 -0.007 0.000 0.286 1241 R C -0.200 176.157 176.300 0.094 0.000 0.969 1241 R CA -0.521 55.658 56.100 0.132 0.000 0.898 1241 R CB 1.716 32.113 30.300 0.162 0.000 1.183 1241 R HN 0.558 nan 8.270 nan 0.000 0.456 1242 V N 0.982 120.926 119.914 0.051 0.000 3.960 1242 V HA 0.287 4.403 4.120 -0.007 0.000 0.274 1242 V C 0.752 176.870 176.094 0.040 0.000 0.973 1242 V CA -0.241 62.066 62.300 0.012 0.000 0.981 1242 V CB 0.143 31.970 31.823 0.006 0.000 1.222 1242 V HN 0.554 nan 8.190 nan 0.000 0.437 1255 E N -0.695 119.548 120.200 0.072 0.000 2.588 1255 E HA -0.094 4.252 4.350 -0.007 0.000 0.351 1255 E C 0.251 176.903 176.600 0.085 0.000 0.944 1255 E CA 0.727 57.163 56.400 0.060 0.000 1.086 1255 E CB -1.255 28.470 29.700 0.042 0.000 1.373 1255 E HN 0.577 nan 8.360 nan 0.000 0.406 1256 E N 0.672 120.948 120.200 0.126 0.000 2.005 1256 E HA -0.172 4.173 4.350 -0.007 0.000 0.191 1256 E C 0.848 177.411 176.600 -0.061 0.000 0.987 1256 E CA 1.690 58.160 56.400 0.116 0.000 0.814 1256 E CB 0.097 29.982 29.700 0.307 0.000 0.772 1256 E HN 0.281 nan 8.360 nan 0.000 0.453 1257 D N -0.393 119.857 120.400 -0.250 0.000 2.292 1257 D HA -0.217 4.418 4.640 -0.007 0.000 0.205 1257 D C 1.672 177.807 176.300 -0.276 0.000 0.994 1257 D CA 1.215 54.849 54.000 -0.611 0.000 0.897 1257 D CB -0.211 40.153 40.800 -0.726 0.000 0.907 1257 D HN 0.235 nan 8.370 nan 0.000 0.467 1258 H N -0.753 118.190 119.070 -0.211 0.000 2.389 1258 H HA 0.102 4.654 4.556 -0.007 0.000 0.299 1258 H C 1.950 177.219 175.328 -0.098 0.000 1.081 1258 H CA 0.975 56.951 56.048 -0.120 0.000 1.345 1258 H CB -0.110 29.616 29.762 -0.061 0.000 1.393 1258 H HN 0.147 nan 8.280 nan 0.000 0.520 1259 M N -0.612 118.989 119.600 0.002 0.000 2.123 1259 M HA -0.056 4.420 4.480 -0.007 0.000 0.263 1259 M C 0.626 176.887 176.300 -0.064 0.000 1.069 1259 M CA 0.534 55.818 55.300 -0.027 0.000 1.133 1259 M CB 0.141 32.740 32.600 -0.002 0.000 1.356 1259 M HN 0.139 nan 8.290 nan 0.000 0.415 1260 L N 1.832 123.005 121.223 -0.084 0.000 2.597 1260 L HA -0.100 4.236 4.340 -0.007 0.000 0.261 1260 L C 0.634 177.451 176.870 -0.088 0.000 1.389 1260 L CA 1.025 55.813 54.840 -0.087 0.000 1.203 1260 L CB -0.607 41.396 42.059 -0.093 0.000 1.401 1260 L HN 0.250 nan 8.230 nan 0.000 0.443 1261 K N 0.245 120.600 120.400 -0.076 0.000 2.813 1261 K HA 0.007 4.323 4.320 -0.007 0.000 0.172 1261 K C 1.521 178.085 176.600 -0.061 0.000 2.133 1261 K CA -0.024 56.219 56.287 -0.073 0.000 1.411 1261 K CB 0.061 32.494 32.500 -0.111 0.000 2.404 1261 K HN 0.168 nan 8.250 nan 0.000 0.565 1262 K N 1.468 121.819 120.400 -0.082 0.000 2.281 1262 K HA 0.062 4.378 4.320 -0.007 0.000 0.203 1262 K C 1.775 178.380 176.600 0.008 0.000 1.046 1262 K CA 1.042 57.299 56.287 -0.050 0.000 0.938 1262 K CB 0.082 32.541 32.500 -0.068 0.000 0.737 1262 K HN 0.169 nan 8.250 nan 0.000 0.458 1263 I N 0.175 120.743 120.570 -0.004 0.000 2.296 1263 I HA -0.202 3.964 4.170 -0.007 0.000 0.242 1263 I C 2.211 178.376 176.117 0.081 0.000 1.087 1263 I CA 0.868 62.195 61.300 0.045 0.000 1.393 1263 I CB -0.106 37.854 38.000 -0.067 0.000 1.093 1263 I HN 0.190 nan 8.210 nan 0.000 0.421 1264 E N 1.161 121.377 120.200 0.027 0.000 2.393 1264 E HA -0.259 4.087 4.350 -0.007 0.000 0.201 1264 E C 1.530 178.149 176.600 0.032 0.000 1.025 1264 E CA 1.321 57.739 56.400 0.031 0.000 0.856 1264 E CB -0.059 29.646 29.700 0.010 0.000 0.771 1264 E HN 0.404 nan 8.360 nan 0.000 0.526 1265 N N -0.038 118.680 118.700 0.030 0.000 2.187 1265 N HA -0.044 4.692 4.740 -0.007 0.000 0.190 1265 N C 1.523 177.056 175.510 0.038 0.000 1.052 1265 N CA 2.035 55.099 53.050 0.023 0.000 0.863 1265 N CB -0.945 37.549 38.487 0.012 0.000 1.041 1265 N HN 0.118 nan 8.380 nan 0.000 0.447 1266 T N 2.394 116.983 114.554 0.057 0.000 2.624 1266 T HA -0.234 4.111 4.350 -0.007 0.000 0.266 1266 T C 2.002 176.745 174.700 0.070 0.000 1.050 1266 T CA 1.487 63.625 62.100 0.063 0.000 1.163 1266 T CB -0.273 68.668 68.868 0.122 0.000 0.861 1266 T HN 0.189 nan 8.240 nan 0.000 0.443 1267 M N 0.279 119.966 119.600 0.146 0.000 2.115 1267 M HA -0.095 4.381 4.480 -0.007 0.000 0.258 1267 M C 2.443 178.767 176.300 0.039 0.000 1.071 1267 M CA 1.825 57.204 55.300 0.131 0.000 1.100 1267 M CB -0.888 31.817 32.600 0.174 0.000 1.292 1267 M HN 0.262 nan 8.290 nan 0.000 0.415 1268 L N -0.759 120.480 121.223 0.027 0.000 2.129 1268 L HA -0.212 4.124 4.340 -0.007 0.000 0.212 1268 L C 0.918 177.775 176.870 -0.021 0.000 1.087 1268 L CA 1.426 56.264 54.840 -0.003 0.000 0.757 1268 L CB -0.520 41.537 42.059 -0.003 0.000 0.896 1268 L HN 0.404 nan 8.230 nan 0.000 0.434 1269 E N -1.325 118.868 120.200 -0.011 0.000 2.812 1269 E HA 0.120 4.466 4.350 -0.007 0.000 0.211 1269 E C 0.349 176.945 176.600 -0.007 0.000 0.986 1269 E CA -0.145 56.248 56.400 -0.012 0.000 1.119 1269 E CB 0.510 30.206 29.700 -0.007 0.000 1.046 1269 E HN 0.304 nan 8.360 nan 0.000 0.474 1270 N N 0.176 118.864 118.700 -0.020 0.000 2.118 1270 N HA 0.099 4.835 4.740 -0.007 0.000 0.226 1270 N C -0.321 175.166 175.510 -0.038 0.000 1.305 1270 N CA -0.023 53.014 53.050 -0.023 0.000 0.890 1270 N CB 1.476 39.940 38.487 -0.039 0.000 1.118 1270 N HN 0.090 nan 8.380 nan 0.000 0.511 1271 I N 2.922 123.462 120.570 -0.051 0.000 2.308 1271 I HA 0.098 4.264 4.170 -0.007 0.000 0.293 1271 I C 0.247 176.334 176.117 -0.050 0.000 1.078 1271 I CA 0.319 61.578 61.300 -0.069 0.000 1.292 1271 I CB 0.165 38.109 38.000 -0.093 0.000 1.423 1271 I HN -0.166 nan 8.210 nan 0.000 0.493 1272 T N 7.355 121.893 114.554 -0.026 0.000 2.817 1272 T HA 0.266 4.612 4.350 -0.007 0.000 0.293 1272 T C 1.011 175.693 174.700 -0.029 0.000 0.964 1272 T CA -0.448 61.655 62.100 0.004 0.000 1.085 1272 T CB 2.057 70.959 68.868 0.056 0.000 0.921 1272 T HN 0.313 nan 8.240 nan 0.000 0.502 1273 L N 2.302 123.503 121.223 -0.038 0.000 2.616 1273 L HA 0.346 4.682 4.340 -0.007 0.000 0.229 1273 L C 0.725 177.573 176.870 -0.037 0.000 1.110 1273 L CA 0.410 55.219 54.840 -0.052 0.000 0.884 1273 L CB -0.250 41.766 42.059 -0.071 0.000 1.115 1273 L HN 0.837 nan 8.230 nan 0.000 0.481 1274 R N -2.582 117.914 120.500 -0.007 0.000 6.822 1274 R HA 0.481 4.816 4.340 -0.007 0.000 0.254 1274 R C -0.545 175.772 176.300 0.029 0.000 0.870 1274 R CA -0.192 55.905 56.100 -0.006 0.000 1.744 1274 R CB -0.933 29.351 30.300 -0.028 0.000 1.170 1274 R HN 0.058 nan 8.270 nan 0.000 0.829 1275 G N 0.712 109.529 108.800 0.029 0.000 2.347 1275 G HA2 0.304 4.260 3.960 -0.007 0.000 0.477 1275 G HA3 0.304 4.260 3.960 -0.007 0.000 0.477 1275 G C -1.563 173.362 174.900 0.042 0.000 1.349 1275 G CA -0.505 44.626 45.100 0.053 0.000 1.000 1275 G HN 0.827 nan 8.290 nan 0.000 0.605 1276 V N 0.425 120.345 119.914 0.010 0.000 2.513 1276 V HA 0.608 4.724 4.120 -0.007 0.000 0.299 1276 V C 0.782 176.665 176.094 -0.351 0.000 1.035 1276 V CA -0.268 61.970 62.300 -0.103 0.000 0.889 1276 V CB 1.428 33.203 31.823 -0.078 0.000 0.988 1276 V HN 1.187 nan 8.190 nan 0.000 0.440 1277 E N 4.251 124.170 120.200 -0.469 0.000 2.481 1277 E HA -0.030 4.315 4.350 -0.007 0.000 0.263 1277 E C 0.413 176.784 176.600 -0.383 0.000 0.992 1277 E CA 0.439 56.413 56.400 -0.710 0.000 0.938 1277 E CB -0.005 29.509 29.700 -0.310 0.000 0.933 1277 E HN 0.709 nan 8.360 nan 0.000 0.453 1278 N N 0.629 119.138 118.700 -0.318 0.000 2.984 1278 N HA -0.177 4.559 4.740 -0.007 0.000 0.227 1278 N C -0.837 174.651 175.510 -0.037 0.000 0.903 1278 N CA 1.028 54.021 53.050 -0.095 0.000 0.995 1278 N CB -0.924 37.511 38.487 -0.086 0.000 1.065 1278 N HN 0.506 nan 8.380 nan 0.000 0.585 1279 I N 2.205 122.760 120.570 -0.025 0.000 2.313 1279 I HA 0.171 4.337 4.170 -0.007 0.000 0.286 1279 I C 1.086 177.239 176.117 0.060 0.000 1.091 1279 I CA 0.109 61.417 61.300 0.013 0.000 1.216 1279 I CB 1.001 39.002 38.000 0.001 0.000 1.434 1279 I HN 0.050 nan 8.210 nan 0.000 0.487 1280 E N 4.468 124.696 120.200 0.048 0.000 3.280 1280 E HA 0.300 4.646 4.350 -0.007 0.000 0.487 1280 E C 0.631 177.246 176.600 0.026 0.000 0.261 1280 E CA -0.325 56.108 56.400 0.055 0.000 2.810 1280 E CB 0.229 29.960 29.700 0.052 0.000 2.284 1280 E HN 0.492 nan 8.360 nan 0.000 0.409 1281 R N -0.299 120.195 120.500 -0.011 0.000 3.251 1281 R HA 0.259 4.595 4.340 -0.007 0.000 0.284 1281 R C -0.661 175.650 176.300 0.019 0.000 1.053 1281 R CA -0.210 55.870 56.100 -0.033 0.000 1.173 1281 R CB -0.217 30.010 30.300 -0.121 0.000 1.144 1281 R HN 0.159 nan 8.270 nan 0.000 0.529 1282 V N -1.557 118.392 119.914 0.058 0.000 3.088 1282 V HA 0.372 4.487 4.120 -0.007 0.000 0.272 1282 V C -1.470 174.721 176.094 0.163 0.000 1.611 1282 V CA -0.758 61.600 62.300 0.098 0.000 0.990 1282 V CB 2.425 34.294 31.823 0.078 0.000 1.234 1282 V HN 0.671 nan 8.190 nan 0.000 0.453 1283 V N 3.247 123.202 119.914 0.067 0.000 3.178 1283 V HA 0.633 4.749 4.120 -0.007 0.000 0.302 1283 V C -0.721 175.367 176.094 -0.010 0.000 1.262 1283 V CA -0.715 61.617 62.300 0.054 0.000 1.030 1283 V CB 2.371 34.240 31.823 0.077 0.000 1.074 1283 V HN 0.799 nan 8.190 nan 0.000 0.438 1284 M N 3.547 123.144 119.600 -0.005 0.000 2.311 1284 M HA 0.776 5.252 4.480 -0.007 0.000 0.325 1284 M C -1.272 175.140 176.300 0.187 0.000 1.061 1284 M CA -0.436 54.851 55.300 -0.021 0.000 0.957 1284 M CB 1.798 34.260 32.600 -0.230 0.000 1.646 1284 M HN 0.643 nan 8.290 nan 0.000 0.434 1285 M N 3.016 122.851 119.600 0.392 0.000 2.323 1285 M HA 0.183 4.659 4.480 -0.007 0.000 0.278 1285 M C -0.910 175.613 176.300 0.372 0.000 1.069 1285 M CA -0.568 54.932 55.300 0.332 0.000 0.950 1285 M CB 1.747 34.358 32.600 0.018 0.000 1.879 1285 M HN 0.600 nan 8.290 nan 0.000 0.491 1286 K N 3.758 124.249 120.400 0.151 0.000 3.165 1286 K HA 0.223 4.539 4.320 -0.007 0.000 0.270 1286 K C -0.454 176.116 176.600 -0.050 0.000 1.111 1286 K CA -0.056 55.983 56.287 -0.413 0.000 1.216 1286 K CB -0.253 31.761 32.500 -0.810 0.000 1.229 1286 K HN 0.684 nan 8.250 nan 0.000 0.435 1287 Y N 0.283 120.565 120.300 -0.029 0.000 2.936 1287 Y HA -0.282 4.264 4.550 -0.007 0.000 0.353 1287 Y C 0.587 176.452 175.900 -0.059 0.000 1.268 1287 Y CA 0.173 58.286 58.100 0.022 0.000 1.434 1287 Y CB 0.335 38.879 38.460 0.139 0.000 1.304 1287 Y HN 0.344 nan 8.280 nan 0.000 0.674 1288 D N 1.154 121.620 120.400 0.111 0.000 2.616 1288 D HA 0.276 4.912 4.640 -0.007 0.000 0.238 1288 D C -1.176 175.137 176.300 0.023 0.000 1.354 1288 D CA -0.489 53.522 54.000 0.019 0.000 0.970 1288 D CB 1.039 41.840 40.800 0.001 0.000 1.369 1288 D HN 0.423 nan 8.370 nan 0.000 0.585 1289 R N 3.048 123.557 120.500 0.015 0.000 2.536 1289 R HA 0.205 4.541 4.340 -0.007 0.000 0.269 1289 R C -1.194 175.121 176.300 0.026 0.000 1.113 1289 R CA -0.670 55.443 56.100 0.021 0.000 0.948 1289 R CB 1.408 31.722 30.300 0.023 0.000 1.237 1289 R HN 0.176 nan 8.270 nan 0.000 0.441 1290 K N 3.525 123.951 120.400 0.044 0.000 2.336 1290 K HA 0.290 4.606 4.320 -0.007 0.000 0.290 1290 K C -1.020 175.678 176.600 0.163 0.000 1.067 1290 K CA 0.040 56.385 56.287 0.097 0.000 0.962 1290 K CB 0.561 33.108 32.500 0.078 0.000 1.008 1290 K HN 0.334 nan 8.250 nan 0.000 0.467 1291 V N 5.126 125.141 119.914 0.168 0.000 3.000 1291 V HA 0.188 4.304 4.120 -0.007 0.000 0.300 1291 V C -2.506 173.560 176.094 -0.046 0.000 1.251 1291 V CA -2.076 60.291 62.300 0.113 0.000 0.972 1291 V CB 1.771 33.617 31.823 0.038 0.000 1.065 1291 V HN 0.659 nan 8.190 nan 0.000 0.431 1292 P HA -0.023 nan 4.420 nan 0.000 0.261 1292 P C -0.139 177.030 177.300 -0.219 0.000 1.158 1292 P CA 0.833 63.688 63.100 -0.409 0.000 0.758 1292 P CB 0.357 31.818 31.700 -0.399 0.000 0.763 1293 S N 4.857 120.434 115.700 -0.204 0.000 2.601 1293 S HA 0.280 4.745 4.470 -0.007 0.000 0.271 1293 S C -1.057 173.463 174.600 -0.133 0.000 1.305 1293 S CA -1.748 56.376 58.200 -0.127 0.000 1.022 1293 S CB -0.055 63.088 63.200 -0.096 0.000 0.940 1293 S HN 0.277 nan 8.310 nan 0.000 0.525 1294 P HA -0.235 nan 4.420 nan 0.000 0.219 1294 P C 1.661 178.907 177.300 -0.091 0.000 1.159 1294 P CA 2.414 65.465 63.100 -0.082 0.000 0.944 1294 P CB -0.739 30.925 31.700 -0.060 0.000 0.792 1295 T N -3.619 110.889 114.554 -0.077 0.000 2.962 1295 T HA 0.068 4.414 4.350 -0.007 0.000 0.270 1295 T C 1.491 176.146 174.700 -0.075 0.000 1.088 1295 T CA 2.280 64.341 62.100 -0.065 0.000 1.127 1295 T CB -0.485 68.356 68.868 -0.045 0.000 0.883 1295 T HN 0.371 nan 8.240 nan 0.000 0.493 1296 G N 0.214 108.951 108.800 -0.106 0.000 2.905 1296 G HA2 -0.124 3.831 3.960 -0.007 0.000 0.196 1296 G HA3 -0.124 3.831 3.960 -0.007 0.000 0.196 1296 G C -0.280 174.523 174.900 -0.162 0.000 1.044 1296 G CA -0.164 44.855 45.100 -0.136 0.000 0.778 1296 G HN 0.595 nan 8.290 nan 0.000 0.474 1297 E N 0.913 121.060 120.200 -0.089 0.000 2.529 1297 E HA 0.326 4.671 4.350 -0.007 0.000 0.259 1297 E C -0.271 176.270 176.600 -0.098 0.000 0.966 1297 E CA 0.074 56.456 56.400 -0.029 0.000 0.937 1297 E CB 0.184 29.880 29.700 -0.007 0.000 0.923 1297 E HN 0.437 nan 8.360 nan 0.000 0.468 1298 Y N 1.857 122.155 120.300 -0.003 0.000 2.511 1298 Y HA 0.182 4.728 4.550 -0.007 0.000 0.332 1298 Y C 0.588 176.485 175.900 -0.006 0.000 1.177 1298 Y CA -0.092 58.006 58.100 -0.003 0.000 1.422 1298 Y CB 0.415 38.880 38.460 0.008 0.000 1.271 1298 Y HN 0.208 nan 8.280 nan 0.000 0.550 1299 V N 1.273 121.226 119.914 0.065 0.000 3.105 1299 V HA 0.354 4.470 4.120 -0.007 0.000 0.311 1299 V C -0.327 175.795 176.094 0.046 0.000 1.287 1299 V CA -1.827 60.509 62.300 0.060 0.000 1.066 1299 V CB 1.605 33.443 31.823 0.024 0.000 1.105 1299 V HN 0.389 nan 8.190 nan 0.000 0.462 1300 K N 2.669 123.085 120.400 0.027 0.000 2.408 1300 K HA 0.091 4.407 4.320 -0.007 0.000 0.231 1300 K C 0.191 176.788 176.600 -0.005 0.000 1.261 1300 K CA 0.368 56.661 56.287 0.011 0.000 1.193 1300 K CB -0.346 32.158 32.500 0.006 0.000 1.431 1300 K HN 0.801 nan 8.250 nan 0.000 0.243 1301 E N 3.176 123.375 120.200 -0.003 0.000 2.046 1301 E HA 0.190 4.536 4.350 -0.007 0.000 0.279 1301 E C -2.389 174.199 176.600 -0.020 0.000 0.989 1301 E CA -1.988 54.404 56.400 -0.013 0.000 0.798 1301 E CB 1.041 30.735 29.700 -0.010 0.000 1.086 1301 E HN 0.050 nan 8.360 nan 0.000 0.399 1302 P HA 0.280 nan 4.420 nan 0.000 0.281 1302 P C -1.022 176.203 177.300 -0.124 0.000 1.264 1302 P CA -0.301 62.742 63.100 -0.096 0.000 0.824 1302 P CB 1.384 33.006 31.700 -0.130 0.000 1.092 1303 E N -0.296 119.781 120.200 -0.206 0.000 2.401 1303 E HA 0.473 4.819 4.350 -0.007 0.000 0.280 1303 E C -2.215 174.423 176.600 0.064 0.000 1.039 1303 E CA -0.689 55.688 56.400 -0.038 0.000 0.814 1303 E CB 0.731 30.476 29.700 0.074 0.000 1.275 1303 E HN 0.425 nan 8.360 nan 0.000 0.448 1304 W N 2.495 123.851 121.300 0.093 0.000 2.587 1304 W HA 0.681 5.337 4.660 -0.007 0.000 0.324 1304 W C -1.106 175.422 176.519 0.014 0.000 1.040 1304 W CA -0.851 56.519 57.345 0.041 0.000 1.222 1304 W CB 2.156 31.634 29.460 0.031 0.000 1.381 1304 W HN 0.376 nan 8.180 nan 0.000 0.483 1305 V N 5.029 125.130 119.914 0.312 0.000 2.735 1305 V HA 0.495 4.611 4.120 -0.007 0.000 0.310 1305 V C -0.245 175.755 176.094 -0.156 0.000 1.061 1305 V CA -1.007 61.261 62.300 -0.052 0.000 0.913 1305 V CB 1.720 33.223 31.823 -0.533 0.000 1.005 1305 V HN 0.347 nan 8.190 nan 0.000 0.428 1306 L N 2.776 123.887 121.223 -0.187 0.000 2.334 1306 L HA 0.626 4.962 4.340 -0.007 0.000 0.273 1306 L C -0.031 176.712 176.870 -0.213 0.000 1.013 1306 L CA -0.553 54.187 54.840 -0.167 0.000 0.816 1306 L CB 1.714 43.706 42.059 -0.111 0.000 1.278 1306 L HN 0.568 nan 8.230 nan 0.000 0.431 1307 E N 1.486 121.600 120.200 -0.143 0.000 2.092 1307 E HA 0.302 4.648 4.350 -0.007 0.000 0.271 1307 E C -0.893 175.688 176.600 -0.031 0.000 0.919 1307 E CA -0.362 55.989 56.400 -0.082 0.000 0.760 1307 E CB 1.738 31.413 29.700 -0.040 0.000 1.106 1307 E HN 0.531 nan 8.360 nan 0.000 0.408 1308 T N 1.646 116.181 114.554 -0.031 0.000 2.881 1308 T HA 0.151 4.497 4.350 -0.007 0.000 0.278 1308 T C -0.057 174.640 174.700 -0.005 0.000 0.982 1308 T CA -0.571 61.519 62.100 -0.016 0.000 0.989 1308 T CB 0.586 69.437 68.868 -0.027 0.000 1.058 1308 T HN 0.270 nan 8.240 nan 0.000 0.529 1309 D N 1.116 121.515 120.400 -0.001 0.000 3.139 1309 D HA 0.524 5.160 4.640 -0.007 0.000 0.268 1309 D C 0.315 176.610 176.300 -0.008 0.000 1.322 1309 D CA 0.236 54.234 54.000 -0.003 0.000 0.940 1309 D CB -0.024 40.775 40.800 -0.002 0.000 1.050 1309 D HN 0.806 nan 8.370 nan 0.000 0.503 1310 G N -1.296 107.493 108.800 -0.019 0.000 2.358 1310 G HA2 0.279 4.235 3.960 -0.007 0.000 0.303 1310 G HA3 0.279 4.235 3.960 -0.007 0.000 0.303 1310 G C -1.807 173.073 174.900 -0.033 0.000 1.537 1310 G CA -0.728 44.359 45.100 -0.022 0.000 0.928 1310 G HN 0.025 nan 8.290 nan 0.000 0.656 1311 V N 1.910 121.800 119.914 -0.040 0.000 2.409 1311 V HA 0.537 4.653 4.120 -0.007 0.000 0.290 1311 V C -0.248 175.816 176.094 -0.050 0.000 1.017 1311 V CA -0.871 61.401 62.300 -0.046 0.000 0.841 1311 V CB 1.593 33.384 31.823 -0.053 0.000 1.003 1311 V HN 0.687 nan 8.190 nan 0.000 0.426 1312 N N 4.581 123.252 118.700 -0.049 0.000 2.524 1312 N HA 0.254 4.989 4.740 -0.007 0.000 0.261 1312 N C 0.243 175.732 175.510 -0.034 0.000 0.998 1312 N CA -0.638 52.382 53.050 -0.049 0.000 0.915 1312 N CB 1.716 40.166 38.487 -0.062 0.000 1.187 1312 N HN 0.438 nan 8.380 nan 0.000 0.507 1313 L N 2.529 123.737 121.223 -0.024 0.000 2.131 1313 L HA 0.010 4.346 4.340 -0.007 0.000 0.206 1313 L C 2.162 179.028 176.870 -0.007 0.000 1.087 1313 L CA 1.475 56.310 54.840 -0.008 0.000 0.767 1313 L CB -0.988 41.075 42.059 0.008 0.000 0.917 1313 L HN 0.510 nan 8.230 nan 0.000 0.441 1314 S N -0.565 115.126 115.700 -0.014 0.000 2.407 1314 S HA -0.200 4.266 4.470 -0.007 0.000 0.235 1314 S C 1.540 176.134 174.600 -0.011 0.000 1.036 1314 S CA 1.356 59.550 58.200 -0.012 0.000 1.013 1314 S CB -0.115 63.074 63.200 -0.018 0.000 0.820 1314 S HN 0.474 nan 8.310 nan 0.000 0.476 1315 E N -0.275 119.914 120.200 -0.018 0.000 2.630 1315 E HA 0.204 4.550 4.350 -0.007 0.000 0.218 1315 E C 0.414 177.003 176.600 -0.020 0.000 0.977 1315 E CA 0.100 56.487 56.400 -0.022 0.000 1.038 1315 E CB 0.959 30.638 29.700 -0.034 0.000 1.051 1315 E HN 0.309 nan 8.360 nan 0.000 0.487 1316 V N 0.905 120.811 119.914 -0.014 0.000 3.635 1316 V HA -0.051 4.065 4.120 -0.007 0.000 0.266 1316 V C 2.148 178.243 176.094 0.002 0.000 1.316 1316 V CA 0.454 62.746 62.300 -0.012 0.000 1.060 1316 V CB -0.124 31.689 31.823 -0.016 0.000 0.820 1316 V HN 0.288 nan 8.190 nan 0.000 0.447 1317 M N 0.712 120.319 119.600 0.012 0.000 2.319 1317 M HA -0.060 4.415 4.480 -0.007 0.000 0.265 1317 M C 2.017 178.329 176.300 0.021 0.000 1.068 1317 M CA 2.153 57.468 55.300 0.026 0.000 1.118 1317 M CB -1.201 31.421 32.600 0.038 0.000 1.395 1317 M HN 0.295 nan 8.290 nan 0.000 0.435 1318 T N -0.273 114.288 114.554 0.011 0.000 3.155 1318 T HA 0.141 4.486 4.350 -0.007 0.000 0.264 1318 T C 0.534 175.235 174.700 0.003 0.000 1.160 1318 T CA 0.005 62.108 62.100 0.007 0.000 1.075 1318 T CB -0.739 68.130 68.868 0.001 0.000 0.921 1318 T HN 0.250 nan 8.240 nan 0.000 0.533 1319 V N 3.264 123.179 119.914 0.001 0.000 3.170 1319 V HA 0.437 4.553 4.120 -0.007 0.000 0.309 1319 V C -1.870 174.226 176.094 0.003 0.000 1.071 1319 V CA -2.045 60.253 62.300 -0.004 0.000 1.063 1319 V CB 1.326 33.145 31.823 -0.007 0.000 1.123 1319 V HN 0.340 nan 8.190 nan 0.000 0.464 1320 P HA 0.307 nan 4.420 nan 0.000 0.282 1320 P C 0.605 177.904 177.300 -0.001 0.000 1.259 1320 P CA 0.512 63.613 63.100 0.001 0.000 0.826 1320 P CB 1.536 33.229 31.700 -0.012 0.000 1.064 1321 G N 1.674 110.483 108.800 0.015 0.000 2.270 1321 G HA2 -0.249 3.707 3.960 -0.007 0.000 0.268 1321 G HA3 -0.249 3.707 3.960 -0.007 0.000 0.268 1321 G C 0.482 175.415 174.900 0.055 0.000 0.982 1321 G CA 0.547 45.666 45.100 0.032 0.000 0.628 1321 G HN 0.733 nan 8.290 nan 0.000 0.544 1322 I N -0.515 120.082 120.570 0.045 0.000 2.472 1322 I HA 0.620 4.786 4.170 -0.007 0.000 0.290 1322 I C -0.491 175.676 176.117 0.083 0.000 1.016 1322 I CA -0.961 60.380 61.300 0.068 0.000 1.348 1322 I CB 1.444 39.474 38.000 0.051 0.000 1.417 1322 I HN 0.031 nan 8.210 nan 0.000 0.521 1323 D N 7.458 127.929 120.400 0.118 0.000 2.347 1323 D HA 0.355 4.991 4.640 -0.007 0.000 0.235 1323 D C -2.110 174.268 176.300 0.129 0.000 1.149 1323 D CA -2.372 51.694 54.000 0.111 0.000 0.850 1323 D CB 1.813 42.686 40.800 0.120 0.000 1.061 1323 D HN 0.274 nan 8.370 nan 0.000 0.487 1324 P HA -0.023 nan 4.420 nan 0.000 0.230 1324 P C 1.063 178.413 177.300 0.084 0.000 1.158 1324 P CA 0.740 63.889 63.100 0.082 0.000 0.769 1324 P CB 0.409 32.144 31.700 0.057 0.000 0.807 1325 T N -2.001 112.602 114.554 0.082 0.000 3.067 1325 T HA 0.077 4.422 4.350 -0.007 0.000 0.261 1325 T C 1.456 176.210 174.700 0.090 0.000 1.110 1325 T CA 0.908 63.047 62.100 0.064 0.000 1.113 1325 T CB -0.014 68.876 68.868 0.037 0.000 0.917 1325 T HN 0.054 nan 8.240 nan 0.000 0.499 1326 R N -0.115 120.483 120.500 0.163 0.000 2.006 1326 R HA 0.425 4.761 4.340 -0.007 0.000 0.181 1326 R C 0.509 177.035 176.300 0.376 0.000 1.617 1326 R CA -0.525 55.743 56.100 0.280 0.000 1.276 1326 R CB -0.410 30.079 30.300 0.314 0.000 1.107 1326 R HN 0.186 nan 8.270 nan 0.000 0.474 1327 I N 2.425 123.231 120.570 0.393 0.000 2.749 1327 I HA -0.354 3.812 4.170 -0.007 0.000 0.127 1327 I C -1.300 174.991 176.117 0.290 0.000 0.884 1327 I CA 1.022 62.443 61.300 0.203 0.000 2.784 1327 I CB 0.034 38.119 38.000 0.142 0.000 0.569 1327 I HN 0.285 nan 8.210 nan 0.000 0.352 1328 Y N 5.995 126.320 120.300 0.040 0.000 2.504 1328 Y HA 0.541 5.086 4.550 -0.007 0.000 0.344 1328 Y C -0.439 175.482 175.900 0.035 0.000 1.023 1328 Y CA -1.087 57.046 58.100 0.055 0.000 1.020 1328 Y CB 2.206 40.723 38.460 0.095 0.000 1.282 1328 Y HN 0.447 nan 8.280 nan 0.000 0.454 1329 T N 4.167 118.450 114.554 -0.451 0.000 3.170 1329 T HA 0.127 4.472 4.350 -0.007 0.000 0.315 1329 T C 0.597 174.808 174.700 -0.814 0.000 0.967 1329 T CA -0.850 60.923 62.100 -0.545 0.000 1.024 1329 T CB 0.698 69.429 68.868 -0.228 0.000 1.018 1329 T HN 0.664 nan 8.240 nan 0.000 0.449 1330 N N 1.246 119.510 118.700 -0.727 0.000 2.310 1330 N HA -0.171 4.564 4.740 -0.007 0.000 0.193 1330 N C 0.746 176.197 175.510 -0.099 0.000 1.001 1330 N CA 1.121 53.952 53.050 -0.366 0.000 0.890 1330 N CB -0.080 38.320 38.487 -0.144 0.000 0.972 1330 N HN 0.450 nan 8.380 nan 0.000 0.445 1331 S N -0.316 115.318 115.700 -0.109 0.000 2.642 1331 S HA 0.207 4.673 4.470 -0.007 0.000 0.309 1331 S C 0.764 175.348 174.600 -0.028 0.000 1.125 1331 S CA -0.960 57.206 58.200 -0.057 0.000 1.055 1331 S CB -1.034 62.091 63.200 -0.126 0.000 1.157 1331 S HN 0.363 nan 8.310 nan 0.000 0.513 1332 F N 4.589 124.524 119.950 -0.024 0.000 2.192 1332 F HA -0.108 4.415 4.527 -0.007 0.000 0.301 1332 F C 1.534 177.351 175.800 0.028 0.000 1.079 1332 F CA 0.977 58.996 58.000 0.032 0.000 1.303 1332 F CB -0.379 38.656 39.000 0.059 0.000 1.024 1332 F HN 0.497 nan 8.300 nan 0.000 0.494 1333 I N 1.598 121.791 120.570 -0.630 0.000 2.179 1333 I HA -0.260 3.906 4.170 -0.007 0.000 0.242 1333 I C 2.025 178.048 176.117 -0.156 0.000 1.088 1333 I CA 1.711 62.735 61.300 -0.459 0.000 1.357 1333 I CB -0.978 36.607 38.000 -0.692 0.000 1.051 1333 I HN 0.264 nan 8.210 nan 0.000 0.409 1334 D N 0.787 121.120 120.400 -0.112 0.000 2.103 1334 D HA -0.226 4.410 4.640 -0.007 0.000 0.190 1334 D C 2.261 178.563 176.300 0.004 0.000 0.997 1334 D CA 1.310 55.281 54.000 -0.048 0.000 0.833 1334 D CB -0.112 40.659 40.800 -0.048 0.000 0.961 1334 D HN 0.206 nan 8.370 nan 0.000 0.447 1335 I N 1.682 122.278 120.570 0.043 0.000 2.087 1335 I HA -0.286 3.880 4.170 -0.007 0.000 0.240 1335 I C 2.616 178.782 176.117 0.082 0.000 1.054 1335 I CA 1.164 62.523 61.300 0.097 0.000 1.311 1335 I CB -0.939 37.162 38.000 0.169 0.000 1.024 1335 I HN 0.173 nan 8.210 nan 0.000 0.402 1336 M N 1.095 120.744 119.600 0.082 0.000 2.159 1336 M HA -0.236 4.240 4.480 -0.007 0.000 0.263 1336 M C 1.705 178.029 176.300 0.040 0.000 1.063 1336 M CA 2.065 57.408 55.300 0.072 0.000 1.110 1336 M CB -0.391 32.257 32.600 0.081 0.000 1.374 1336 M HN 0.231 nan 8.290 nan 0.000 0.411 1337 E N -0.079 120.130 120.200 0.015 0.000 2.371 1337 E HA 0.004 4.350 4.350 -0.007 0.000 0.194 1337 E C 1.840 178.447 176.600 0.013 0.000 1.012 1337 E CA 0.659 57.064 56.400 0.008 0.000 0.860 1337 E CB -0.438 29.258 29.700 -0.008 0.000 0.811 1337 E HN 0.344 nan 8.360 nan 0.000 0.502 1338 V N 0.875 120.800 119.914 0.018 0.000 2.278 1338 V HA -0.088 4.027 4.120 -0.007 0.000 0.238 1338 V C 1.763 177.876 176.094 0.032 0.000 1.039 1338 V CA 1.228 63.541 62.300 0.023 0.000 1.017 1338 V CB -0.219 31.621 31.823 0.027 0.000 0.657 1338 V HN 0.274 nan 8.190 nan 0.000 0.462 1339 L N 0.230 121.480 121.223 0.045 0.000 2.627 1339 L HA 0.386 4.721 4.340 -0.007 0.000 0.233 1339 L C 1.091 177.988 176.870 0.046 0.000 1.144 1339 L CA 0.552 55.420 54.840 0.047 0.000 0.892 1339 L CB -1.212 40.883 42.059 0.061 0.000 1.039 1339 L HN 0.563 nan 8.230 nan 0.000 0.442 1340 G N 0.778 109.605 108.800 0.045 0.000 2.828 1340 G HA2 -0.305 3.651 3.960 -0.007 0.000 0.463 1340 G HA3 -0.305 3.651 3.960 -0.007 0.000 0.463 1340 G C 0.211 175.146 174.900 0.058 0.000 1.394 1340 G CA -0.066 45.061 45.100 0.045 0.000 0.862 1340 G HN 0.037 nan 8.290 nan 0.000 0.540 1341 I N -0.004 120.599 120.570 0.054 0.000 2.353 1341 I HA 0.077 4.243 4.170 -0.007 0.000 0.248 1341 I C 2.330 178.489 176.117 0.070 0.000 1.119 1341 I CA 2.192 63.531 61.300 0.065 0.000 1.417 1341 I CB -0.145 37.889 38.000 0.057 0.000 1.078 1341 I HN 0.614 nan 8.210 nan 0.000 0.421 1342 E N 0.164 120.398 120.200 0.057 0.000 2.427 1342 E HA 0.019 4.365 4.350 -0.007 0.000 0.196 1342 E C 2.023 178.654 176.600 0.052 0.000 1.028 1342 E CA 0.749 57.180 56.400 0.051 0.000 0.864 1342 E CB 0.167 29.892 29.700 0.041 0.000 0.813 1342 E HN 0.563 nan 8.360 nan 0.000 0.514 1343 A N 0.355 123.211 122.820 0.061 0.000 1.935 1343 A HA 0.064 4.379 4.320 -0.007 0.000 0.214 1343 A C 2.358 180.001 177.584 0.098 0.000 1.178 1343 A CA 1.157 53.233 52.037 0.065 0.000 0.640 1343 A CB -0.614 18.430 19.000 0.073 0.000 0.825 1343 A HN 0.298 nan 8.150 nan 0.000 0.447 1344 G N 0.166 109.037 108.800 0.119 0.000 2.469 1344 G HA2 -0.311 3.645 3.960 -0.007 0.000 0.220 1344 G HA3 -0.311 3.645 3.960 -0.007 0.000 0.220 1344 G C 1.716 176.713 174.900 0.163 0.000 1.136 1344 G CA 1.133 46.338 45.100 0.175 0.000 0.759 1344 G HN 0.558 nan 8.290 nan 0.000 0.562 1345 R N 0.899 121.466 120.500 0.112 0.000 2.103 1345 R HA -0.106 4.230 4.340 -0.007 0.000 0.234 1345 R C 2.817 179.161 176.300 0.073 0.000 1.132 1345 R CA 1.976 58.123 56.100 0.079 0.000 0.925 1345 R CB -0.876 29.457 30.300 0.055 0.000 0.842 1345 R HN 0.241 nan 8.270 nan 0.000 0.430 1346 A N 0.527 123.377 122.820 0.051 0.000 2.009 1346 A HA -0.208 4.108 4.320 -0.007 0.000 0.222 1346 A C 2.276 179.921 177.584 0.102 0.000 1.175 1346 A CA 2.233 54.290 52.037 0.034 0.000 0.651 1346 A CB -0.681 18.316 19.000 -0.005 0.000 0.815 1346 A HN 0.669 nan 8.150 nan 0.000 0.459 1347 A N -1.233 121.684 122.820 0.161 0.000 2.081 1347 A HA 0.298 4.614 4.320 -0.007 0.000 0.214 1347 A C 1.924 179.562 177.584 0.090 0.000 1.158 1347 A CA 1.014 53.188 52.037 0.228 0.000 0.724 1347 A CB -0.390 18.843 19.000 0.389 0.000 0.826 1347 A HN 0.749 nan 8.150 nan 0.000 0.463 1348 L N -0.791 120.426 121.223 -0.010 0.000 1.989 1348 L HA -0.192 4.144 4.340 -0.007 0.000 0.211 1348 L C 2.143 178.881 176.870 -0.218 0.000 1.071 1348 L CA 2.666 57.280 54.840 -0.376 0.000 0.749 1348 L CB -1.222 40.666 42.059 -0.285 0.000 0.890 1348 L HN 0.524 nan 8.230 nan 0.000 0.431 1349 Y N 0.712 120.917 120.300 -0.159 0.000 2.006 1349 Y HA -0.408 4.138 4.550 -0.007 0.000 0.266 1349 Y C 2.834 178.709 175.900 -0.042 0.000 1.133 1349 Y CA 2.734 60.769 58.100 -0.109 0.000 1.098 1349 Y CB -0.453 37.940 38.460 -0.112 0.000 0.969 1349 Y HN 0.279 nan 8.280 nan 0.000 0.482 1350 K N -0.253 120.413 120.400 0.444 0.000 2.169 1350 K HA -0.404 3.912 4.320 -0.007 0.000 0.213 1350 K C 2.001 178.722 176.600 0.201 0.000 1.050 1350 K CA 2.432 58.919 56.287 0.332 0.000 0.935 1350 K CB -0.325 32.306 32.500 0.218 0.000 0.722 1350 K HN 0.451 nan 8.250 nan 0.000 0.468 1351 E N -0.255 120.025 120.200 0.132 0.000 2.076 1351 E HA -0.078 4.268 4.350 -0.007 0.000 0.190 1351 E C 1.840 178.443 176.600 0.005 0.000 0.979 1351 E CA 0.930 57.385 56.400 0.092 0.000 0.807 1351 E CB 0.057 29.782 29.700 0.041 0.000 0.761 1351 E HN 0.136 nan 8.360 nan 0.000 0.454 1352 V N 0.717 120.560 119.914 -0.117 0.000 2.250 1352 V HA -0.341 3.774 4.120 -0.007 0.000 0.250 1352 V C 1.907 177.928 176.094 -0.122 0.000 1.060 1352 V CA 2.333 64.531 62.300 -0.170 0.000 1.030 1352 V CB -0.736 30.932 31.823 -0.259 0.000 0.643 1352 V HN 0.397 nan 8.190 nan 0.000 0.445 1353 Y N 1.502 121.591 120.300 -0.353 0.000 1.940 1353 Y HA -0.369 4.177 4.550 -0.007 0.000 0.250 1353 Y C 2.683 178.526 175.900 -0.095 0.000 1.132 1353 Y CA 2.482 60.433 58.100 -0.248 0.000 1.079 1353 Y CB -0.773 37.565 38.460 -0.203 0.000 0.940 1353 Y HN 0.272 nan 8.280 nan 0.000 0.490 1354 N N -0.223 118.646 118.700 0.281 0.000 2.144 1354 N HA -0.305 4.431 4.740 -0.007 0.000 0.195 1354 N C 1.875 177.388 175.510 0.005 0.000 1.006 1354 N CA 1.781 54.918 53.050 0.145 0.000 0.880 1354 N CB -0.760 37.828 38.487 0.168 0.000 1.018 1354 N HN 0.348 nan 8.380 nan 0.000 0.443 1355 V N 2.252 122.161 119.914 -0.009 0.000 2.231 1355 V HA -0.256 3.860 4.120 -0.007 0.000 0.248 1355 V C 2.269 178.325 176.094 -0.064 0.000 1.054 1355 V CA 1.575 63.858 62.300 -0.028 0.000 1.015 1355 V CB -0.292 31.505 31.823 -0.043 0.000 0.638 1355 V HN 0.188 nan 8.190 nan 0.000 0.444 1356 I N -0.103 120.398 120.570 -0.114 0.000 2.087 1356 I HA -0.155 4.011 4.170 -0.007 0.000 0.231 1356 I C 2.791 178.799 176.117 -0.182 0.000 1.058 1356 I CA 1.793 63.003 61.300 -0.150 0.000 1.328 1356 I CB -2.061 35.823 38.000 -0.193 0.000 1.079 1356 I HN 0.371 nan 8.210 nan 0.000 0.397 1357 A N 1.972 124.591 122.820 -0.335 0.000 1.886 1357 A HA -0.393 3.923 4.320 -0.007 0.000 0.240 1357 A C 2.494 179.992 177.584 -0.144 0.000 1.875 1357 A CA 4.093 55.925 52.037 -0.342 0.000 0.760 1357 A CB -1.666 17.044 19.000 -0.484 0.000 0.849 1357 A HN 0.656 nan 8.150 nan 0.000 0.505 1358 S N -0.202 115.450 115.700 -0.081 0.000 2.399 1358 S HA -0.303 4.163 4.470 -0.007 0.000 0.235 1358 S C 1.305 175.888 174.600 -0.027 0.000 1.063 1358 S CA 2.030 60.212 58.200 -0.029 0.000 1.070 1358 S CB -0.895 62.298 63.200 -0.011 0.000 0.904 1358 S HN 0.683 nan 8.310 nan 0.000 0.456 1359 D N 0.931 121.306 120.400 -0.040 0.000 2.371 1359 D HA 0.303 4.939 4.640 -0.007 0.000 0.234 1359 D C 1.508 177.793 176.300 -0.024 0.000 1.049 1359 D CA 0.886 54.868 54.000 -0.030 0.000 0.907 1359 D CB -0.486 40.292 40.800 -0.036 0.000 0.891 1359 D HN 0.536 nan 8.370 nan 0.000 0.531 1360 G N -0.355 108.429 108.800 -0.027 0.000 2.708 1360 G HA2 -0.349 3.607 3.960 -0.007 0.000 0.229 1360 G HA3 -0.349 3.607 3.960 -0.007 0.000 0.229 1360 G C 0.708 175.599 174.900 -0.016 0.000 1.236 1360 G CA 0.219 45.310 45.100 -0.015 0.000 0.749 1360 G HN 0.362 nan 8.290 nan 0.000 0.515 1361 S N 1.230 116.917 115.700 -0.021 0.000 2.593 1361 S HA 0.342 4.807 4.470 -0.007 0.000 0.303 1361 S C -0.122 174.484 174.600 0.011 0.000 1.267 1361 S CA 0.858 59.051 58.200 -0.012 0.000 1.047 1361 S CB 0.610 63.790 63.200 -0.033 0.000 0.777 1361 S HN 1.114 nan 8.310 nan 0.000 0.498 1362 Y N 2.420 122.662 120.300 -0.096 0.000 2.598 1362 Y HA 0.760 5.306 4.550 -0.007 0.000 0.340 1362 Y C -0.949 174.921 175.900 -0.049 0.000 1.038 1362 Y CA -1.959 56.086 58.100 -0.091 0.000 1.100 1362 Y CB 0.998 39.442 38.460 -0.026 0.000 1.281 1362 Y HN 0.394 nan 8.280 nan 0.000 0.488 1363 V N 3.654 124.029 119.914 0.768 0.000 2.903 1363 V HA 0.167 4.283 4.120 -0.007 0.000 0.289 1363 V C -0.955 175.419 176.094 0.468 0.000 1.355 1363 V CA -1.327 61.078 62.300 0.175 0.000 0.953 1363 V CB 1.927 33.831 31.823 0.135 0.000 1.102 1363 V HN 0.876 nan 8.190 nan 0.000 0.435 1364 N N 2.490 121.309 118.700 0.198 0.000 2.530 1364 N HA 0.193 4.929 4.740 -0.007 0.000 0.273 1364 N C 1.046 176.898 175.510 0.571 0.000 1.173 1364 N CA -0.222 53.121 53.050 0.489 0.000 0.967 1364 N CB 0.741 39.346 38.487 0.197 0.000 1.109 1364 N HN 0.724 nan 8.380 nan 0.000 0.453 1365 Y N 3.711 124.291 120.300 0.466 0.000 2.062 1365 Y HA -0.406 4.140 4.550 -0.007 0.000 0.276 1365 Y C 2.113 178.160 175.900 0.244 0.000 1.189 1365 Y CA 2.357 60.697 58.100 0.400 0.000 1.130 1365 Y CB -0.056 38.600 38.460 0.328 0.000 0.959 1365 Y HN 0.687 nan 8.280 nan 0.000 0.499 1366 R N -1.041 119.666 120.500 0.346 0.000 2.133 1366 R HA -0.263 4.072 4.340 -0.007 0.000 0.247 1366 R C 1.875 178.154 176.300 -0.034 0.000 1.151 1366 R CA 1.773 57.895 56.100 0.037 0.000 0.971 1366 R CB -1.330 28.686 30.300 -0.474 0.000 0.866 1366 R HN 0.514 nan 8.270 nan 0.000 0.447 1367 H N 0.958 120.032 119.070 0.008 0.000 2.251 1367 H HA -0.094 4.457 4.556 -0.007 0.000 0.294 1367 H C 2.317 177.608 175.328 -0.061 0.000 1.078 1367 H CA 2.006 58.044 56.048 -0.016 0.000 1.246 1367 H CB -0.332 29.439 29.762 0.016 0.000 1.358 1367 H HN 0.205 nan 8.280 nan 0.000 0.488 1368 M N 0.143 119.790 119.600 0.079 0.000 2.479 1368 M HA -0.193 4.282 4.480 -0.007 0.000 0.269 1368 M C 2.697 178.956 176.300 -0.067 0.000 1.076 1368 M CA 1.434 56.692 55.300 -0.071 0.000 1.086 1368 M CB -0.585 31.926 32.600 -0.148 0.000 1.230 1368 M HN 0.304 nan 8.290 nan 0.000 0.474 1369 A N 0.787 123.542 122.820 -0.107 0.000 2.033 1369 A HA -0.364 3.952 4.320 -0.007 0.000 0.282 1369 A C 1.979 179.514 177.584 -0.081 0.000 2.983 1369 A CA 2.807 54.724 52.037 -0.200 0.000 0.987 1369 A CB -1.775 16.979 19.000 -0.409 0.000 0.716 1369 A HN 0.633 nan 8.150 nan 0.000 0.495 1370 L N -1.049 120.134 121.223 -0.067 0.000 2.085 1370 L HA -0.243 4.093 4.340 -0.007 0.000 0.218 1370 L C 2.244 179.095 176.870 -0.032 0.000 1.080 1370 L CA 2.824 57.644 54.840 -0.033 0.000 0.776 1370 L CB -0.678 41.381 42.059 -0.000 0.000 0.891 1370 L HN 0.609 nan 8.230 nan 0.000 0.437 1371 L N -1.011 120.190 121.223 -0.036 0.000 1.980 1371 L HA -0.288 4.048 4.340 -0.007 0.000 0.232 1371 L C 2.441 179.288 176.870 -0.038 0.000 1.092 1371 L CA 2.411 57.223 54.840 -0.047 0.000 0.808 1371 L CB -1.332 40.687 42.059 -0.066 0.000 0.908 1371 L HN 0.178 nan 8.230 nan 0.000 0.442 1372 V N 0.231 120.124 119.914 -0.035 0.000 2.223 1372 V HA -0.414 3.702 4.120 -0.007 0.000 0.246 1372 V C 2.373 178.464 176.094 -0.006 0.000 1.045 1372 V CA 2.267 64.556 62.300 -0.018 0.000 1.004 1372 V CB -0.822 31.006 31.823 0.008 0.000 0.641 1372 V HN 0.578 nan 8.190 nan 0.000 0.457 1373 D N -0.462 119.933 120.400 -0.009 0.000 2.242 1373 D HA -0.197 4.439 4.640 -0.007 0.000 0.190 1373 D C 2.021 178.312 176.300 -0.014 0.000 1.012 1373 D CA 1.862 55.857 54.000 -0.009 0.000 0.875 1373 D CB -0.585 40.205 40.800 -0.017 0.000 0.922 1373 D HN 0.346 nan 8.370 nan 0.000 0.448 1374 V N 0.973 120.872 119.914 -0.024 0.000 2.255 1374 V HA -0.299 3.816 4.120 -0.007 0.000 0.247 1374 V C 2.632 178.722 176.094 -0.008 0.000 1.051 1374 V CA 1.690 63.972 62.300 -0.030 0.000 1.018 1374 V CB -0.474 31.316 31.823 -0.055 0.000 0.641 1374 V HN 0.245 nan 8.190 nan 0.000 0.445 1375 M N -0.322 119.282 119.600 0.007 0.000 2.308 1375 M HA -0.298 4.178 4.480 -0.007 0.000 0.257 1375 M C 2.091 178.419 176.300 0.047 0.000 1.070 1375 M CA 2.571 57.894 55.300 0.039 0.000 1.080 1375 M CB -1.005 31.616 32.600 0.036 0.000 1.274 1375 M HN 0.337 nan 8.290 nan 0.000 0.434 1376 T N -0.249 114.327 114.554 0.038 0.000 3.317 1376 T HA 0.011 4.357 4.350 -0.007 0.000 0.250 1376 T C 1.380 176.100 174.700 0.034 0.000 1.106 1376 T CA 1.185 63.315 62.100 0.050 0.000 0.986 1376 T CB -0.400 68.500 68.868 0.053 0.000 1.010 1376 T HN 0.618 nan 8.240 nan 0.000 0.560 1377 T N -1.846 112.719 114.554 0.019 0.000 2.990 1377 T HA 0.143 4.488 4.350 -0.007 0.000 0.250 1377 T C 1.231 175.938 174.700 0.013 0.000 1.041 1377 T CA -0.120 61.986 62.100 0.009 0.000 1.010 1377 T CB -0.043 68.813 68.868 -0.020 0.000 1.003 1377 T HN 0.294 nan 8.240 nan 0.000 0.499 1378 Q N 1.366 121.178 119.800 0.020 0.000 2.292 1378 Q HA 0.408 4.743 4.340 -0.007 0.000 0.235 1378 Q C 1.584 177.601 176.000 0.029 0.000 0.910 1378 Q CA 0.257 56.073 55.803 0.021 0.000 0.952 1378 Q CB -0.505 28.247 28.738 0.024 0.000 1.089 1378 Q HN 0.757 nan 8.270 nan 0.000 0.431 1379 G N -0.363 108.456 108.800 0.032 0.000 2.640 1379 G HA2 -0.333 3.622 3.960 -0.007 0.000 0.226 1379 G HA3 -0.333 3.622 3.960 -0.007 0.000 0.226 1379 G C 0.624 175.550 174.900 0.043 0.000 1.222 1379 G CA -0.303 44.819 45.100 0.036 0.000 0.729 1379 G HN 0.622 nan 8.290 nan 0.000 0.516 1380 G N -0.132 108.694 108.800 0.044 0.000 2.514 1380 G HA2 0.537 4.493 3.960 -0.007 0.000 0.245 1380 G HA3 0.537 4.493 3.960 -0.007 0.000 0.245 1380 G C -0.164 174.779 174.900 0.072 0.000 1.488 1380 G CA -0.192 44.940 45.100 0.052 0.000 1.063 1380 G HN 0.815 nan 8.290 nan 0.000 0.557 1381 L N 0.336 121.607 121.223 0.080 0.000 2.333 1381 L HA 0.477 4.813 4.340 -0.007 0.000 0.280 1381 L C -0.693 176.231 176.870 0.089 0.000 1.004 1381 L CA -0.449 54.460 54.840 0.115 0.000 0.820 1381 L CB 2.236 44.369 42.059 0.122 0.000 1.247 1381 L HN 0.490 nan 8.230 nan 0.000 0.416 1382 T N -0.343 114.270 114.554 0.098 0.000 3.103 1382 T HA 0.114 4.460 4.350 -0.007 0.000 0.352 1382 T C -0.030 174.731 174.700 0.102 0.000 1.048 1382 T CA -0.568 61.586 62.100 0.090 0.000 1.175 1382 T CB 1.066 69.983 68.868 0.081 0.000 1.029 1382 T HN 0.655 nan 8.240 nan 0.000 0.498 1383 S N 1.958 117.710 115.700 0.088 0.000 2.930 1383 S HA -0.093 4.373 4.470 -0.007 0.000 0.351 1383 S C 1.416 176.065 174.600 0.082 0.000 1.210 1383 S CA -0.088 58.148 58.200 0.060 0.000 0.993 1383 S CB 0.004 63.208 63.200 0.006 0.000 0.682 1383 S HN 0.729 nan 8.310 nan 0.000 0.484 1384 V N 2.564 122.522 119.914 0.075 0.000 3.592 1384 V HA 0.133 4.249 4.120 -0.007 0.000 0.272 1384 V C 1.169 177.224 176.094 -0.065 0.000 1.228 1384 V CA 0.697 63.085 62.300 0.146 0.000 1.173 1384 V CB -2.235 29.664 31.823 0.128 0.000 0.873 1384 V HN 0.942 nan 8.190 nan 0.000 0.476 1385 T N -0.378 114.016 114.554 -0.267 0.000 2.938 1385 T HA 0.399 4.744 4.350 -0.007 0.000 0.285 1385 T C 0.979 175.350 174.700 -0.549 0.000 1.028 1385 T CA -0.803 61.066 62.100 -0.384 0.000 1.005 1385 T CB 1.301 69.982 68.868 -0.312 0.000 1.157 1385 T HN 0.392 nan 8.240 nan 0.000 0.550 1386 R N -0.141 120.235 120.500 -0.206 0.000 2.455 1386 R HA -0.137 4.198 4.340 -0.007 0.000 0.211 1386 R C 0.554 177.078 176.300 0.373 0.000 1.143 1386 R CA 1.234 57.339 56.100 0.009 0.000 1.110 1386 R CB -0.749 29.717 30.300 0.278 0.000 0.819 1386 R HN 0.559 nan 8.270 nan 0.000 0.485 1387 H N 0.738 119.715 119.070 -0.155 0.000 2.283 1387 H HA 0.221 4.773 4.556 -0.007 0.000 0.320 1387 H C 2.055 177.335 175.328 -0.080 0.000 1.074 1387 H CA 0.686 56.687 56.048 -0.079 0.000 1.476 1387 H CB -1.067 28.665 29.762 -0.050 0.000 1.465 1387 H HN 0.242 nan 8.280 nan 0.000 0.573 1388 G N 1.613 110.470 108.800 0.095 0.000 2.776 1388 G HA2 -0.318 3.637 3.960 -0.007 0.000 0.210 1388 G HA3 -0.318 3.637 3.960 -0.007 0.000 0.210 1388 G C 1.126 176.041 174.900 0.025 0.000 1.086 1388 G CA 1.324 46.446 45.100 0.036 0.000 0.926 1388 G HN 0.501 nan 8.290 nan 0.000 0.853 1389 F N 0.922 120.842 119.950 -0.050 0.000 2.605 1389 F HA 0.115 4.637 4.527 -0.007 0.000 0.296 1389 F C 1.513 177.226 175.800 -0.145 0.000 1.146 1389 F CA 0.849 58.782 58.000 -0.110 0.000 1.478 1389 F CB -0.804 38.097 39.000 -0.164 0.000 1.107 1389 F HN 0.128 nan 8.300 nan 0.000 0.600 1390 N N 0.347 119.026 118.700 -0.036 0.000 2.220 1390 N HA 0.056 4.792 4.740 -0.007 0.000 0.195 1390 N C 1.586 177.119 175.510 0.039 0.000 1.123 1390 N CA 0.251 53.317 53.050 0.027 0.000 0.874 1390 N CB -0.008 38.451 38.487 -0.046 0.000 0.995 1390 N HN 0.396 nan 8.380 nan 0.000 0.498 1391 R N 0.578 121.093 120.500 0.026 0.000 2.310 1391 R HA 0.144 4.479 4.340 -0.007 0.000 0.202 1391 R C 0.695 177.010 176.300 0.025 0.000 0.933 1391 R CA 0.617 56.724 56.100 0.011 0.000 1.054 1391 R CB -0.340 29.956 30.300 -0.008 0.000 0.985 1391 R HN 0.025 nan 8.270 nan 0.000 0.489 1392 S N 0.753 116.483 115.700 0.050 0.000 3.054 1392 S HA -0.029 4.436 4.470 -0.007 0.000 0.243 1392 S C 0.329 174.940 174.600 0.019 0.000 1.013 1392 S CA 0.298 58.520 58.200 0.036 0.000 1.119 1392 S CB -1.501 61.734 63.200 0.058 0.000 0.838 1392 S HN 0.856 nan 8.310 nan 0.000 0.505 1393 N N -2.412 116.295 118.700 0.013 0.000 1.771 1393 N HA -0.254 4.482 4.740 -0.007 0.000 0.206 1393 N C -0.240 175.276 175.510 0.009 0.000 1.497 1393 N CA 0.684 53.739 53.050 0.009 0.000 3.964 1393 N CB -2.899 35.594 38.487 0.009 0.000 0.727 1393 N HN 0.344 nan 8.380 nan 0.000 0.360 1394 T N 2.364 116.921 114.554 0.005 0.000 2.481 1394 T HA 0.177 4.523 4.350 -0.007 0.000 0.199 1394 T C 1.242 175.953 174.700 0.017 0.000 1.014 1394 T CA 1.174 63.276 62.100 0.004 0.000 1.179 1394 T CB -0.407 68.461 68.868 0.001 0.000 0.990 1394 T HN 0.757 nan 8.240 nan 0.000 0.431 1395 G N 1.805 110.619 108.800 0.024 0.000 3.377 1395 G HA2 0.153 4.108 3.960 -0.007 0.000 0.230 1395 G HA3 0.153 4.108 3.960 -0.007 0.000 0.230 1395 G C 1.069 175.997 174.900 0.046 0.000 1.240 1395 G CA -0.141 44.986 45.100 0.046 0.000 0.860 1395 G HN 1.096 nan 8.290 nan 0.000 0.585 1396 A N 0.751 123.623 122.820 0.086 0.000 1.884 1396 A HA 0.215 4.531 4.320 -0.007 0.000 0.212 1396 A C 2.567 180.152 177.584 0.002 0.000 1.265 1396 A CA 1.115 53.170 52.037 0.030 0.000 0.626 1396 A CB -0.565 18.456 19.000 0.035 0.000 0.943 1396 A HN 0.674 nan 8.150 nan 0.000 0.466 1397 L N -0.924 120.339 121.223 0.067 0.000 2.095 1397 L HA -0.389 3.947 4.340 -0.007 0.000 0.229 1397 L C 2.838 179.727 176.870 0.033 0.000 1.097 1397 L CA 2.582 57.456 54.840 0.057 0.000 0.813 1397 L CB -0.509 41.606 42.059 0.094 0.000 0.907 1397 L HN 0.667 nan 8.230 nan 0.000 0.445 1398 M N -0.091 119.527 119.600 0.030 0.000 2.126 1398 M HA -0.272 4.203 4.480 -0.007 0.000 0.259 1398 M C 2.412 178.733 176.300 0.035 0.000 1.073 1398 M CA 2.194 57.504 55.300 0.017 0.000 1.103 1398 M CB -0.145 32.449 32.600 -0.010 0.000 1.284 1398 M HN 0.094 nan 8.290 nan 0.000 0.420 1399 R N -0.118 120.403 120.500 0.034 0.000 2.103 1399 R HA -0.157 4.179 4.340 -0.007 0.000 0.242 1399 R C 2.200 178.555 176.300 0.091 0.000 1.142 1399 R CA 1.680 57.825 56.100 0.075 0.000 0.960 1399 R CB -2.140 28.202 30.300 0.070 0.000 0.858 1399 R HN 0.467 nan 8.270 nan 0.000 0.439 1400 C N 1.324 120.635 119.300 0.019 0.000 2.222 1400 C HA -0.306 4.149 4.460 -0.007 0.000 0.257 1400 C C 2.504 177.536 174.990 0.069 0.000 1.093 1400 C CA 2.358 61.379 59.018 0.005 0.000 1.796 1400 C CB -1.451 26.277 27.740 -0.019 0.000 1.733 1400 C HN 0.823 nan 8.230 nan 0.000 0.389 1401 S N 0.039 115.783 115.700 0.073 0.000 2.621 1401 S HA -0.161 4.305 4.470 -0.007 0.000 0.288 1401 S C -0.133 174.619 174.600 0.253 0.000 0.976 1401 S CA 1.666 59.938 58.200 0.120 0.000 0.978 1401 S CB -1.057 62.202 63.200 0.098 0.000 0.743 1401 S HN 0.937 nan 8.310 nan 0.000 0.536 1402 F N -1.257 118.711 119.950 0.030 0.000 3.652 1402 F HA 0.319 4.842 4.527 -0.007 0.000 0.329 1402 F C 0.754 176.578 175.800 0.040 0.000 1.092 1402 F CA -0.399 57.637 58.000 0.060 0.000 0.841 1402 F CB -0.451 38.618 39.000 0.116 0.000 1.621 1402 F HN -0.036 nan 8.300 nan 0.000 0.495 1403 E N 0.507 120.283 120.200 -0.706 0.000 2.068 1403 E HA -0.213 4.133 4.350 -0.007 0.000 0.207 1403 E C -0.441 176.153 176.600 -0.009 0.000 1.032 1403 E CA 2.142 58.349 56.400 -0.322 0.000 0.839 1403 E CB -0.392 28.993 29.700 -0.524 0.000 0.758 1403 E HN 0.449 nan 8.360 nan 0.000 0.457 1404 E N 0.499 120.750 120.200 0.086 0.000 2.092 1404 E HA 0.170 4.516 4.350 -0.007 0.000 0.271 1404 E C -0.280 176.308 176.600 -0.020 0.000 0.919 1404 E CA -0.150 56.257 56.400 0.011 0.000 0.760 1404 E CB 1.547 31.259 29.700 0.021 0.000 1.106 1404 E HN 0.017 nan 8.360 nan 0.000 0.408 1405 T N 1.103 115.628 114.554 -0.048 0.000 3.081 1405 T HA -0.037 4.309 4.350 -0.007 0.000 0.255 1405 T C 1.555 176.157 174.700 -0.163 0.000 1.113 1405 T CA 0.046 62.098 62.100 -0.082 0.000 1.082 1405 T CB 0.316 69.140 68.868 -0.074 0.000 0.939 1405 T HN 0.179 nan 8.240 nan 0.000 0.506 1406 V N 2.188 122.002 119.914 -0.166 0.000 2.341 1406 V HA -0.072 4.044 4.120 -0.007 0.000 0.240 1406 V C 2.497 178.276 176.094 -0.525 0.000 1.035 1406 V CA 1.243 63.351 62.300 -0.320 0.000 1.033 1406 V CB -0.214 31.508 31.823 -0.168 0.000 0.678 1406 V HN 0.514 nan 8.190 nan 0.000 0.464 1407 E N 0.229 120.340 120.200 -0.147 0.000 2.233 1407 E HA -0.260 4.086 4.350 -0.007 0.000 0.199 1407 E C 2.032 178.588 176.600 -0.074 0.000 1.004 1407 E CA 1.453 57.887 56.400 0.055 0.000 0.819 1407 E CB -0.302 29.428 29.700 0.050 0.000 0.738 1407 E HN 0.458 nan 8.360 nan 0.000 0.478 1408 I N 0.893 121.368 120.570 -0.159 0.000 2.716 1408 I HA -0.082 4.084 4.170 -0.007 0.000 0.259 1408 I C 2.381 178.338 176.117 -0.267 0.000 1.172 1408 I CA 0.523 61.732 61.300 -0.153 0.000 1.478 1408 I CB -0.603 37.321 38.000 -0.126 0.000 1.104 1408 I HN 0.162 nan 8.210 nan 0.000 0.439 1409 L N -0.326 120.673 121.223 -0.374 0.000 2.056 1409 L HA -0.191 4.145 4.340 -0.007 0.000 0.207 1409 L C 2.507 179.073 176.870 -0.508 0.000 1.078 1409 L CA 1.573 56.068 54.840 -0.574 0.000 0.749 1409 L CB -0.250 41.456 42.059 -0.589 0.000 0.901 1409 L HN 0.064 nan 8.230 nan 0.000 0.433 1410 F N 0.223 120.051 119.950 -0.203 0.000 2.094 1410 F HA -0.171 4.351 4.527 -0.007 0.000 0.291 1410 F C 2.695 178.459 175.800 -0.059 0.000 1.109 1410 F CA 0.976 58.898 58.000 -0.130 0.000 1.221 1410 F CB -0.516 38.406 39.000 -0.130 0.000 1.014 1410 F HN 0.105 nan 8.300 nan 0.000 0.473 1411 E N 1.459 121.740 120.200 0.135 0.000 2.130 1411 E HA -0.293 4.053 4.350 -0.007 0.000 0.196 1411 E C 2.274 178.838 176.600 -0.060 0.000 0.998 1411 E CA 1.372 57.773 56.400 0.002 0.000 0.806 1411 E CB -0.985 28.666 29.700 -0.081 0.000 0.738 1411 E HN 0.396 nan 8.360 nan 0.000 0.459 1412 A N 2.136 124.886 122.820 -0.117 0.000 1.958 1412 A HA -0.177 4.139 4.320 -0.007 0.000 0.221 1412 A C 2.497 180.084 177.584 0.006 0.000 1.178 1412 A CA 2.363 54.321 52.037 -0.133 0.000 0.642 1412 A CB -1.489 17.225 19.000 -0.476 0.000 0.816 1412 A HN 0.453 nan 8.150 nan 0.000 0.453 1413 G N -0.701 108.110 108.800 0.019 0.000 2.604 1413 G HA2 -0.024 3.932 3.960 -0.007 0.000 0.216 1413 G HA3 -0.024 3.932 3.960 -0.007 0.000 0.216 1413 G C 1.857 176.833 174.900 0.128 0.000 1.265 1413 G CA 1.887 47.073 45.100 0.143 0.000 0.804 1413 G HN 0.965 nan 8.290 nan 0.000 0.579 1414 A N 0.604 123.498 122.820 0.123 0.000 1.915 1414 A HA -0.130 4.186 4.320 -0.007 0.000 0.220 1414 A C 2.626 180.056 177.584 -0.258 0.000 1.198 1414 A CA 2.852 54.853 52.037 -0.060 0.000 0.647 1414 A CB -0.809 18.050 19.000 -0.235 0.000 0.825 1414 A HN 0.425 nan 8.150 nan 0.000 0.456 1415 S N -1.143 114.416 115.700 -0.235 0.000 2.522 1415 S HA 0.398 4.864 4.470 -0.007 0.000 0.227 1415 S C 0.880 175.432 174.600 -0.081 0.000 0.986 1415 S CA 0.821 58.876 58.200 -0.241 0.000 0.929 1415 S CB -0.317 62.764 63.200 -0.199 0.000 0.769 1415 S HN 1.885 nan 8.310 nan 0.000 0.529 1416 A N 1.703 124.535 122.820 0.021 0.000 2.301 1416 A HA -0.163 4.152 4.320 -0.007 0.000 0.283 1416 A C 0.114 177.777 177.584 0.132 0.000 1.419 1416 A CA 0.357 52.472 52.037 0.129 0.000 0.730 1416 A CB -1.889 17.237 19.000 0.209 0.000 1.161 1416 A HN 0.572 nan 8.150 nan 0.000 0.356 1417 E N -0.745 119.557 120.200 0.170 0.000 2.351 1417 E HA 0.669 5.015 4.350 -0.007 0.000 0.255 1417 E C -0.034 176.629 176.600 0.105 0.000 1.188 1417 E CA -0.520 55.966 56.400 0.144 0.000 0.940 1417 E CB 0.925 30.732 29.700 0.177 0.000 1.094 1417 E HN 1.011 nan 8.360 nan 0.000 0.474 1418 L N 1.038 122.304 121.223 0.072 0.000 2.441 1418 L HA 0.321 4.657 4.340 -0.007 0.000 0.270 1418 L C -1.507 175.376 176.870 0.022 0.000 0.973 1418 L CA -0.474 54.375 54.840 0.014 0.000 0.842 1418 L CB 1.786 43.870 42.059 0.041 0.000 1.239 1418 L HN 0.347 nan 8.230 nan 0.000 0.406 1419 D N 2.956 123.346 120.400 -0.016 0.000 2.329 1419 D HA 0.120 4.756 4.640 -0.007 0.000 0.232 1419 D C 0.290 176.572 176.300 -0.029 0.000 1.088 1419 D CA -0.059 53.942 54.000 0.002 0.000 0.835 1419 D CB 1.897 42.718 40.800 0.035 0.000 1.078 1419 D HN 0.697 nan 8.370 nan 0.000 0.495 1420 D N 1.948 122.344 120.400 -0.005 0.000 2.108 1420 D HA -0.164 4.472 4.640 -0.007 0.000 0.190 1420 D C 0.503 176.796 176.300 -0.012 0.000 0.995 1420 D CA 1.168 55.165 54.000 -0.006 0.000 0.834 1420 D CB 0.011 40.813 40.800 0.003 0.000 0.967 1420 D HN 0.667 nan 8.370 nan 0.000 0.446 1421 C N -0.313 118.982 119.300 -0.008 0.000 4.395 1421 C HA -0.093 4.362 4.460 -0.007 0.000 0.314 1421 C C 0.741 175.725 174.990 -0.010 0.000 1.198 1421 C CA -0.388 58.623 59.018 -0.012 0.000 2.199 1421 C CB -2.524 25.202 27.740 -0.024 0.000 1.280 1421 C HN 0.409 nan 8.230 nan 0.000 0.686 1422 R N -0.003 120.494 120.500 -0.006 0.000 2.572 1422 R HA 0.313 4.649 4.340 -0.007 0.000 0.370 1422 R C 0.771 177.065 176.300 -0.010 0.000 1.005 1422 R CA 0.569 56.668 56.100 -0.002 0.000 1.146 1422 R CB 1.096 31.401 30.300 0.008 0.000 1.390 1422 R HN 0.699 nan 8.270 nan 0.000 0.553 1423 G N 0.230 109.021 108.800 -0.016 0.000 2.343 1423 G HA2 0.319 4.275 3.960 -0.007 0.000 0.319 1423 G HA3 0.319 4.275 3.960 -0.007 0.000 0.319 1423 G C 1.038 175.919 174.900 -0.031 0.000 1.126 1423 G CA -0.517 44.569 45.100 -0.024 0.000 0.889 1423 G HN -0.132 nan 8.290 nan 0.000 0.457 1424 V N 2.480 122.368 119.914 -0.044 0.000 2.231 1424 V HA -0.270 3.846 4.120 -0.007 0.000 0.250 1424 V C 2.978 179.052 176.094 -0.034 0.000 1.058 1424 V CA 2.883 65.155 62.300 -0.047 0.000 1.022 1424 V CB -0.550 31.240 31.823 -0.056 0.000 0.640 1424 V HN 0.787 nan 8.190 nan 0.000 0.445 1425 S N -0.169 115.513 115.700 -0.031 0.000 2.488 1425 S HA -0.229 4.237 4.470 -0.007 0.000 0.246 1425 S C 1.457 176.053 174.600 -0.006 0.000 0.992 1425 S CA 1.668 59.858 58.200 -0.017 0.000 0.963 1425 S CB -0.432 62.759 63.200 -0.015 0.000 0.754 1425 S HN 0.852 nan 8.310 nan 0.000 0.519 1426 E N 0.872 121.067 120.200 -0.008 0.000 2.413 1426 E HA 0.163 4.508 4.350 -0.007 0.000 0.203 1426 E C 1.074 177.669 176.600 -0.008 0.000 0.957 1426 E CA -0.164 56.236 56.400 -0.001 0.000 0.950 1426 E CB -0.123 29.581 29.700 0.006 0.000 0.957 1426 E HN 0.333 nan 8.360 nan 0.000 0.497 1427 N N 1.056 119.746 118.700 -0.016 0.000 2.550 1427 N HA -0.053 4.683 4.740 -0.007 0.000 0.186 1427 N C 1.554 177.053 175.510 -0.018 0.000 1.110 1427 N CA 0.508 53.546 53.050 -0.020 0.000 0.912 1427 N CB 0.538 39.009 38.487 -0.028 0.000 0.968 1427 N HN 0.033 nan 8.380 nan 0.000 0.448 1428 V N 0.848 120.753 119.914 -0.015 0.000 2.725 1428 V HA 0.020 4.136 4.120 -0.007 0.000 0.247 1428 V C 2.101 178.189 176.094 -0.009 0.000 1.058 1428 V CA 0.532 62.824 62.300 -0.014 0.000 1.080 1428 V CB 0.043 31.857 31.823 -0.015 0.000 0.713 1428 V HN 0.142 nan 8.190 nan 0.000 0.465 1429 I N -0.096 120.471 120.570 -0.006 0.000 2.315 1429 I HA -0.202 3.964 4.170 -0.007 0.000 0.248 1429 I C 1.804 177.918 176.117 -0.006 0.000 1.117 1429 I CA 1.623 62.922 61.300 -0.003 0.000 1.404 1429 I CB -0.158 37.844 38.000 0.003 0.000 1.071 1429 I HN 0.224 nan 8.210 nan 0.000 0.419 1430 L N 0.664 121.881 121.223 -0.010 0.000 2.607 1430 L HA 0.288 4.624 4.340 -0.007 0.000 0.228 1430 L C 0.918 177.781 176.870 -0.012 0.000 1.123 1430 L CA -0.083 54.749 54.840 -0.013 0.000 0.890 1430 L CB -0.692 41.356 42.059 -0.018 0.000 1.103 1430 L HN 0.377 nan 8.230 nan 0.000 0.468 1431 G N 1.983 110.776 108.800 -0.011 0.000 2.296 1431 G HA2 -0.246 3.710 3.960 -0.007 0.000 0.263 1431 G HA3 -0.246 3.710 3.960 -0.007 0.000 0.263 1431 G C -0.166 174.727 174.900 -0.012 0.000 0.887 1431 G CA 0.322 45.415 45.100 -0.011 0.000 1.318 1431 G HN 0.559 nan 8.290 nan 0.000 0.403 1432 Q N 0.581 120.371 119.800 -0.016 0.000 2.991 1432 Q HA 0.664 5.000 4.340 -0.007 0.000 0.322 1432 Q C 0.450 176.435 176.000 -0.025 0.000 0.978 1432 Q CA -1.305 54.487 55.803 -0.018 0.000 0.787 1432 Q CB 0.868 29.595 28.738 -0.018 0.000 1.492 1432 Q HN 0.399 nan 8.270 nan 0.000 0.498 1433 M N 1.199 120.783 119.600 -0.028 0.000 2.239 1433 M HA 0.318 4.794 4.480 -0.007 0.000 0.348 1433 M C -0.585 175.684 176.300 -0.052 0.000 1.239 1433 M CA -0.058 55.218 55.300 -0.040 0.000 1.114 1433 M CB 0.672 33.245 32.600 -0.045 0.000 1.641 1433 M HN 0.778 nan 8.290 nan 0.000 0.453 1434 A N 6.167 128.948 122.820 -0.064 0.000 2.316 1434 A HA 0.478 4.793 4.320 -0.007 0.000 0.284 1434 A C -2.430 175.095 177.584 -0.099 0.000 1.115 1434 A CA -1.486 50.507 52.037 -0.073 0.000 0.812 1434 A CB -0.066 18.887 19.000 -0.077 0.000 1.064 1434 A HN 0.556 nan 8.150 nan 0.000 0.489 1435 P HA 0.249 nan 4.420 nan 0.000 0.259 1435 P C -0.982 176.229 177.300 -0.149 0.000 1.635 1435 P CA 0.925 63.964 63.100 -0.101 0.000 1.199 1435 P CB -0.293 31.373 31.700 -0.057 0.000 1.850 1436 I N -0.283 120.178 120.570 -0.182 0.000 3.145 1436 I HA 0.353 4.519 4.170 -0.007 0.000 0.313 1436 I C 1.826 177.793 176.117 -0.250 0.000 1.122 1436 I CA -0.727 60.458 61.300 -0.192 0.000 0.987 1436 I CB 1.366 39.284 38.000 -0.136 0.000 1.236 1436 I HN 0.165 nan 8.210 nan 0.000 0.453 1437 G N 0.750 109.433 108.800 -0.195 0.000 2.875 1437 G HA2 -0.319 3.636 3.960 -0.007 0.000 0.227 1437 G HA3 -0.319 3.636 3.960 -0.007 0.000 0.227 1437 G C 1.161 175.873 174.900 -0.313 0.000 1.259 1437 G CA 2.114 47.112 45.100 -0.169 0.000 0.780 1437 G HN 0.632 nan 8.290 nan 0.000 0.685 1438 T N 0.960 115.380 114.554 -0.224 0.000 2.969 1438 T HA 0.030 4.376 4.350 -0.007 0.000 0.271 1438 T C 2.043 176.389 174.700 -0.589 0.000 1.127 1438 T CA 1.484 63.385 62.100 -0.332 0.000 1.102 1438 T CB -0.256 68.535 68.868 -0.128 0.000 0.855 1438 T HN 0.530 nan 8.240 nan 0.000 0.536 1439 G N -0.371 108.148 108.800 -0.468 0.000 3.126 1439 G HA2 0.417 4.372 3.960 -0.007 0.000 0.224 1439 G HA3 0.417 4.372 3.960 -0.007 0.000 0.224 1439 G C 1.205 175.903 174.900 -0.337 0.000 1.142 1439 G CA 0.422 45.310 45.100 -0.352 0.000 0.759 1439 G HN 0.509 nan 8.290 nan 0.000 0.550 1440 A N 0.092 122.603 122.820 -0.516 0.000 2.197 1440 A HA 0.612 4.928 4.320 -0.007 0.000 0.210 1440 A C 0.613 178.142 177.584 -0.092 0.000 1.180 1440 A CA -0.113 51.748 52.037 -0.293 0.000 0.846 1440 A CB -0.006 18.777 19.000 -0.362 0.000 0.884 1440 A HN 0.271 nan 8.150 nan 0.000 0.487 1441 F N -1.232 118.776 119.950 0.096 0.000 2.461 1441 F HA 0.728 5.251 4.527 -0.007 0.000 0.337 1441 F C 0.072 175.940 175.800 0.114 0.000 1.079 1441 F CA -1.612 56.515 58.000 0.213 0.000 1.032 1441 F CB 0.248 39.410 39.000 0.269 0.000 1.327 1441 F HN -0.175 nan 8.300 nan 0.000 0.491 1442 D N -0.484 120.138 120.400 0.371 0.000 2.442 1442 D HA 0.655 5.291 4.640 -0.007 0.000 0.254 1442 D C -1.310 175.144 176.300 0.257 0.000 1.069 1442 D CA -0.296 53.843 54.000 0.232 0.000 1.017 1442 D CB 2.488 43.373 40.800 0.141 0.000 1.172 1442 D HN 0.325 nan 8.370 nan 0.000 0.561 1443 V N 1.773 121.787 119.914 0.166 0.000 2.733 1443 V HA 0.506 4.622 4.120 -0.007 0.000 0.306 1443 V C -0.172 175.972 176.094 0.083 0.000 1.084 1443 V CA -0.358 62.021 62.300 0.132 0.000 0.905 1443 V CB 1.858 33.761 31.823 0.134 0.000 1.010 1443 V HN 0.566 nan 8.190 nan 0.000 0.424 1444 M N 3.925 123.559 119.600 0.057 0.000 3.557 1444 M HA 0.658 5.134 4.480 -0.007 0.000 0.301 1444 M C -1.778 174.534 176.300 0.019 0.000 1.451 1444 M CA -0.518 54.803 55.300 0.034 0.000 0.816 1444 M CB 2.406 35.025 32.600 0.031 0.000 1.848 1444 M HN 0.497 nan 8.290 nan 0.000 0.456 1445 I N 0.000 120.578 120.570 0.013 0.000 2.984 1445 I HA 0.000 4.166 4.170 -0.007 0.000 0.288 1445 I CA 0.000 61.305 61.300 0.009 0.000 1.566 1445 I CB 0.000 38.007 38.000 0.012 0.000 1.214 1445 I HN 0.000 nan 8.210 nan 0.000 0.494