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 2e2i_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 PSEDDPTQLV SRGGCGNTQP TIRKDGLKLV GSWKKDRATX XXXXXELRVL 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 VMIDEES 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 3.959 3.960 -0.001 0.000 0.244 3 G C 0.000 174.877 174.900 -0.039 0.000 0.946 3 G CA 0.000 45.073 45.100 -0.045 0.000 0.502 4 Q N 0.194 119.967 119.800 -0.046 0.000 2.495 4 Q HA 0.647 4.987 4.340 -0.001 0.000 0.283 4 Q C -0.694 175.282 176.000 -0.040 0.000 1.097 4 Q CA -0.680 55.103 55.803 -0.033 0.000 0.836 4 Q CB 1.988 30.710 28.738 -0.028 0.000 1.426 4 Q HN 0.346 nan 8.270 nan 0.000 0.459 5 Q N -0.096 119.699 119.800 -0.008 0.000 2.318 5 Q HA 0.219 4.558 4.340 -0.001 0.000 0.222 5 Q C -0.977 175.041 176.000 0.031 0.000 1.003 5 Q CA -0.373 55.449 55.803 0.031 0.000 0.936 5 Q CB 0.501 29.278 28.738 0.066 0.000 1.204 5 Q HN 0.462 nan 8.270 nan 0.000 0.524 6 Y N 0.301 120.601 120.300 0.000 0.000 2.652 6 Y HA 0.027 4.577 4.550 -0.001 0.000 0.344 6 Y C 0.489 176.392 175.900 0.004 0.000 1.254 6 Y CA 0.934 59.035 58.100 0.002 0.000 1.480 6 Y CB 0.839 39.300 38.460 0.003 0.000 1.345 6 Y HN 0.371 nan 8.280 nan 0.000 0.617 7 S N 0.086 115.894 115.700 0.179 0.000 2.546 7 S HA 0.278 4.747 4.470 -0.001 0.000 0.272 7 S C 0.298 174.960 174.600 0.103 0.000 1.140 7 S CA -0.246 58.017 58.200 0.106 0.000 0.920 7 S CB 0.847 64.080 63.200 0.055 0.000 1.083 7 S HN 0.696 nan 8.310 nan 0.000 0.476 8 S N 3.104 118.850 115.700 0.076 0.000 2.489 8 S HA 0.280 4.749 4.470 -0.001 0.000 0.228 8 S C 0.955 175.583 174.600 0.046 0.000 0.995 8 S CA 0.308 58.545 58.200 0.061 0.000 0.934 8 S CB -0.362 62.863 63.200 0.041 0.000 0.771 8 S HN 1.123 nan 8.310 nan 0.000 0.522 9 A N 3.369 126.213 122.820 0.040 0.000 2.488 9 A HA 0.519 4.838 4.320 -0.001 0.000 0.249 9 A C -2.260 175.341 177.584 0.028 0.000 1.083 9 A CA -1.146 50.908 52.037 0.030 0.000 0.768 9 A CB -0.550 18.466 19.000 0.026 0.000 1.017 9 A HN 0.330 nan 8.150 nan 0.000 0.496 10 P HA 0.306 nan 4.420 nan 0.000 0.276 10 P C -0.419 176.889 177.300 0.013 0.000 1.235 10 P CA -0.485 62.627 63.100 0.020 0.000 0.772 10 P CB 0.566 32.276 31.700 0.018 0.000 0.871 11 L N 4.530 125.759 121.223 0.010 0.000 2.453 11 L HA 0.337 4.676 4.340 -0.001 0.000 0.272 11 L C 0.034 176.906 176.870 0.002 0.000 1.182 11 L CA 0.792 55.633 54.840 0.003 0.000 0.858 11 L CB -0.180 41.876 42.059 -0.004 0.000 1.120 11 L HN 0.370 nan 8.230 nan 0.000 0.474 12 R N 2.065 122.565 120.500 -0.001 0.000 2.663 12 R HA 0.479 4.818 4.340 -0.001 0.000 0.267 12 R C -1.034 175.262 176.300 -0.006 0.000 1.038 12 R CA -0.705 55.394 56.100 -0.002 0.000 0.886 12 R CB 1.920 32.220 30.300 0.000 0.000 1.249 12 R HN 0.710 nan 8.270 nan 0.000 0.463 13 T N 0.704 115.253 114.554 -0.008 0.000 2.904 13 T HA 0.241 4.590 4.350 -0.001 0.000 0.290 13 T C 0.093 174.785 174.700 -0.014 0.000 1.018 13 T CA -0.649 61.444 62.100 -0.012 0.000 1.075 13 T CB 1.305 70.166 68.868 -0.012 0.000 0.986 13 T HN 0.110 nan 8.240 nan 0.000 0.523 14 V N 3.425 123.328 119.914 -0.019 0.000 2.488 14 V HA 0.184 4.304 4.120 -0.001 0.000 0.277 14 V C 0.951 177.029 176.094 -0.026 0.000 1.046 14 V CA 0.040 62.324 62.300 -0.027 0.000 0.986 14 V CB 1.091 32.893 31.823 -0.034 0.000 0.989 14 V HN 0.770 nan 8.190 nan 0.000 0.475 15 K N 2.644 123.027 120.400 -0.028 0.000 2.424 15 K HA 0.360 4.679 4.320 -0.001 0.000 0.198 15 K C 0.384 176.967 176.600 -0.029 0.000 1.190 15 K CA 0.408 56.682 56.287 -0.022 0.000 0.935 15 K CB 0.810 33.302 32.500 -0.013 0.000 1.087 15 K HN 0.675 nan 8.250 nan 0.000 0.524 16 E N 0.480 120.653 120.200 -0.045 0.000 2.293 16 E HA 0.371 4.720 4.350 -0.001 0.000 0.270 16 E C -1.410 175.122 176.600 -0.113 0.000 0.879 16 E CA -0.612 55.749 56.400 -0.064 0.000 0.756 16 E CB 3.052 32.719 29.700 -0.056 0.000 1.208 16 E HN -0.286 nan 8.360 nan 0.000 0.428 17 V N 2.937 122.760 119.914 -0.152 0.000 2.409 17 V HA 0.223 4.343 4.120 -0.001 0.000 0.291 17 V C -0.712 175.146 176.094 -0.394 0.000 1.020 17 V CA -0.657 61.468 62.300 -0.291 0.000 0.848 17 V CB 1.595 33.231 31.823 -0.312 0.000 0.990 17 V HN 0.555 nan 8.190 nan 0.000 0.430 18 Q N 4.776 124.287 119.800 -0.482 0.000 2.462 18 Q HA 0.492 4.831 4.340 -0.001 0.000 0.247 18 Q C -1.095 174.567 176.000 -0.563 0.000 1.044 18 Q CA -0.253 55.247 55.803 -0.505 0.000 0.803 18 Q CB 0.539 28.942 28.738 -0.559 0.000 1.190 18 Q HN 0.532 nan 8.270 nan 0.000 0.507 19 F N 1.529 121.323 119.950 -0.260 0.000 2.518 19 F HA 0.612 5.138 4.527 -0.001 0.000 0.359 19 F C 1.419 177.090 175.800 -0.214 0.000 1.118 19 F CA 1.172 59.054 58.000 -0.197 0.000 1.287 19 F CB 1.012 39.932 39.000 -0.132 0.000 1.132 19 F HN 0.598 nan 8.300 nan 0.000 0.587 20 G N 1.940 110.767 108.800 0.046 0.000 2.871 20 G HA2 0.702 4.662 3.960 -0.001 0.000 0.282 20 G HA3 0.702 4.662 3.960 -0.001 0.000 0.282 20 G C -1.722 173.237 174.900 0.098 0.000 1.212 20 G CA -0.858 44.285 45.100 0.072 0.000 0.812 20 G HN 0.481 nan 8.290 nan 0.000 0.547 21 L N -0.377 120.919 121.223 0.121 0.000 2.350 21 L HA 0.550 4.889 4.340 -0.001 0.000 0.260 21 L C -1.123 175.742 176.870 -0.009 0.000 1.015 21 L CA -0.793 54.120 54.840 0.122 0.000 0.821 21 L CB 2.823 45.021 42.059 0.232 0.000 1.370 21 L HN 0.449 nan 8.230 nan 0.000 0.416 22 F N 0.964 120.903 119.950 -0.018 0.000 2.420 22 F HA 0.197 4.724 4.527 -0.001 0.000 0.352 22 F C 0.820 176.370 175.800 -0.418 0.000 1.108 22 F CA -0.239 57.651 58.000 -0.183 0.000 1.162 22 F CB 1.587 40.525 39.000 -0.103 0.000 1.118 22 F HN 0.442 nan 8.300 nan 0.000 0.510 23 S N 6.465 121.855 115.700 -0.517 0.000 2.525 23 S HA 0.298 4.768 4.470 -0.001 0.000 0.278 23 S C -1.640 172.693 174.600 -0.445 0.000 1.234 23 S CA -1.484 56.049 58.200 -1.112 0.000 1.058 23 S CB 1.534 63.638 63.200 -1.828 0.000 0.983 23 S HN 0.407 nan 8.310 nan 0.000 0.495 24 P HA -0.202 nan 4.420 nan 0.000 0.217 24 P C 0.975 178.185 177.300 -0.150 0.000 1.148 24 P CA 1.490 64.506 63.100 -0.141 0.000 0.834 24 P CB 0.045 31.730 31.700 -0.025 0.000 0.783 25 E N -0.124 119.979 120.200 -0.160 0.000 2.118 25 E HA -0.189 4.161 4.350 -0.001 0.000 0.195 25 E C 2.111 178.632 176.600 -0.133 0.000 0.992 25 E CA 1.118 57.452 56.400 -0.110 0.000 0.804 25 E CB -0.213 29.450 29.700 -0.061 0.000 0.741 25 E HN 0.475 nan 8.360 nan 0.000 0.458 26 E N 0.134 120.235 120.200 -0.165 0.000 2.030 26 E HA -0.108 4.241 4.350 -0.001 0.000 0.189 26 E C 2.297 178.803 176.600 -0.157 0.000 0.974 26 E CA 0.825 57.159 56.400 -0.110 0.000 0.807 26 E CB -0.021 29.665 29.700 -0.024 0.000 0.771 26 E HN 0.000 nan 8.360 nan 0.000 0.451 27 V N 2.537 122.310 119.914 -0.235 0.000 2.251 27 V HA -0.403 3.716 4.120 -0.001 0.000 0.259 27 V C 2.519 178.395 176.094 -0.363 0.000 1.078 27 V CA 2.776 64.850 62.300 -0.377 0.000 1.072 27 V CB -1.006 30.607 31.823 -0.349 0.000 0.681 27 V HN 0.393 nan 8.190 nan 0.000 0.454 28 R N 0.893 121.152 120.500 -0.403 0.000 2.200 28 R HA 0.194 4.534 4.340 -0.001 0.000 0.208 28 R C 2.079 178.170 176.300 -0.348 0.000 1.033 28 R CA 1.223 56.946 56.100 -0.628 0.000 1.000 28 R CB -0.450 29.525 30.300 -0.541 0.000 0.906 28 R HN 0.439 nan 8.270 nan 0.000 0.462 29 A N 1.049 123.744 122.820 -0.208 0.000 2.021 29 A HA 0.057 4.377 4.320 -0.001 0.000 0.216 29 A C 1.920 179.447 177.584 -0.096 0.000 1.163 29 A CA 0.535 52.498 52.037 -0.124 0.000 0.676 29 A CB -0.075 18.873 19.000 -0.086 0.000 0.818 29 A HN 0.294 nan 8.150 nan 0.000 0.453 30 I N -0.197 120.310 120.570 -0.104 0.000 3.030 30 I HA 0.008 4.178 4.170 -0.001 0.000 0.270 30 I C 1.685 177.787 176.117 -0.025 0.000 1.211 30 I CA 0.878 62.150 61.300 -0.047 0.000 1.479 30 I CB -0.011 37.980 38.000 -0.015 0.000 1.105 30 I HN 0.360 nan 8.210 nan 0.000 0.447 31 S N -0.382 115.278 115.700 -0.067 0.000 2.625 31 S HA 0.220 4.690 4.470 -0.001 0.000 0.258 31 S C 0.863 175.486 174.600 0.037 0.000 1.256 31 S CA 0.373 58.586 58.200 0.022 0.000 0.983 31 S CB 1.197 64.424 63.200 0.045 0.000 1.032 31 S HN 0.284 nan 8.310 nan 0.000 0.572 32 V N -3.519 116.449 119.914 0.089 0.000 3.509 32 V HA 0.668 4.788 4.120 -0.001 0.000 0.286 32 V C 0.135 176.281 176.094 0.087 0.000 1.618 32 V CA -0.043 62.292 62.300 0.060 0.000 1.088 32 V CB -0.626 31.208 31.823 0.019 0.000 0.909 32 V HN 1.071 nan 8.190 nan 0.000 0.429 33 A N 0.520 123.424 122.820 0.139 0.000 2.371 33 A HA 0.781 5.100 4.320 -0.001 0.000 0.311 33 A C 0.554 178.179 177.584 0.068 0.000 1.068 33 A CA -0.414 51.681 52.037 0.098 0.000 0.744 33 A CB 1.983 21.029 19.000 0.077 0.000 1.239 33 A HN 0.187 nan 8.150 nan 0.000 0.435 34 K N 1.432 121.837 120.400 0.008 0.000 1.980 34 K HA 0.127 4.447 4.320 -0.001 0.000 0.208 34 K C -0.170 176.333 176.600 -0.162 0.000 1.043 34 K CA 1.124 57.366 56.287 -0.075 0.000 0.938 34 K CB -0.235 32.249 32.500 -0.026 0.000 0.724 34 K HN 0.697 nan 8.250 nan 0.000 0.438 35 I N 1.574 122.097 120.570 -0.079 0.000 7.322 35 I HA -0.275 3.895 4.170 -0.001 0.000 0.126 35 I C 0.588 176.629 176.117 -0.126 0.000 1.835 35 I CA 0.552 61.805 61.300 -0.079 0.000 2.047 35 I CB -1.335 36.602 38.000 -0.105 0.000 3.627 35 I HN 0.446 nan 8.210 nan 0.000 0.172 36 R N 2.259 122.684 120.500 -0.125 0.000 2.250 36 R HA 0.286 4.625 4.340 -0.001 0.000 0.194 36 R C 0.396 176.434 176.300 -0.435 0.000 0.927 36 R CA 0.413 56.309 56.100 -0.339 0.000 1.052 36 R CB 0.543 30.526 30.300 -0.529 0.000 1.055 36 R HN 0.253 nan 8.270 nan 0.000 0.537 37 F N 1.169 121.086 119.950 -0.055 0.000 2.421 37 F HA 0.361 4.887 4.527 -0.001 0.000 0.337 37 F C -1.432 174.333 175.800 -0.058 0.000 1.105 37 F CA -2.700 55.270 58.000 -0.049 0.000 1.049 37 F CB 1.688 40.662 39.000 -0.043 0.000 1.139 37 F HN -0.087 nan 8.300 nan 0.000 0.479 38 P HA 0.022 nan 4.420 nan 0.000 0.249 38 P C -0.380 176.927 177.300 0.011 0.000 1.229 38 P CA 0.481 63.599 63.100 0.029 0.000 0.788 38 P CB 0.215 31.924 31.700 0.015 0.000 1.072 39 E N -0.468 119.761 120.200 0.048 0.000 2.371 39 E HA 0.169 4.518 4.350 -0.001 0.000 0.257 39 E C 1.241 177.816 176.600 -0.042 0.000 1.134 39 E CA 0.199 56.593 56.400 -0.011 0.000 0.919 39 E CB 0.242 29.930 29.700 -0.019 0.000 1.025 39 E HN -0.062 nan 8.360 nan 0.000 0.438 40 T N 0.482 114.989 114.554 -0.078 0.000 3.000 40 T HA 0.039 4.388 4.350 -0.001 0.000 0.233 40 T C 1.405 176.066 174.700 -0.065 0.000 1.036 40 T CA 0.807 62.852 62.100 -0.091 0.000 1.333 40 T CB -0.076 68.715 68.868 -0.128 0.000 1.048 40 T HN 0.352 nan 8.240 nan 0.000 0.425 41 M N 0.079 119.642 119.600 -0.062 0.000 3.058 41 M HA 0.261 4.740 4.480 -0.001 0.000 0.242 41 M C -0.076 176.187 176.300 -0.060 0.000 1.512 41 M CA 0.006 55.274 55.300 -0.054 0.000 1.274 41 M CB 0.177 32.752 32.600 -0.042 0.000 1.179 41 M HN -0.030 nan 8.290 nan 0.000 0.573 42 D N 3.291 123.659 120.400 -0.053 0.000 2.520 42 D HA -0.035 4.604 4.640 -0.001 0.000 0.243 42 D C -0.369 175.887 176.300 -0.074 0.000 1.160 42 D CA 0.710 54.678 54.000 -0.053 0.000 0.877 42 D CB 0.537 41.315 40.800 -0.037 0.000 1.150 42 D HN 0.241 nan 8.370 nan 0.000 0.494 43 E N 1.927 122.078 120.200 -0.082 0.000 2.490 43 E HA 0.109 4.458 4.350 -0.001 0.000 0.232 43 E C -0.639 175.915 176.600 -0.078 0.000 1.091 43 E CA -0.498 55.838 56.400 -0.108 0.000 1.050 43 E CB -0.324 29.299 29.700 -0.128 0.000 1.342 43 E HN 0.527 nan 8.360 nan 0.000 0.454 44 T N 1.175 115.692 114.554 -0.062 0.000 2.781 44 T HA -0.308 4.041 4.350 -0.001 0.000 0.476 44 T C 0.502 175.182 174.700 -0.034 0.000 0.785 44 T CA 1.133 63.208 62.100 -0.041 0.000 2.497 44 T CB -1.605 67.241 68.868 -0.038 0.000 1.663 44 T HN 0.865 nan 8.240 nan 0.000 0.547 45 Q N -1.475 118.308 119.800 -0.028 0.000 2.223 45 Q HA -0.228 4.111 4.340 -0.001 0.000 0.150 45 Q C 0.459 176.444 176.000 -0.025 0.000 0.715 45 Q CA 2.114 57.904 55.803 -0.022 0.000 1.376 45 Q CB -2.176 26.552 28.738 -0.017 0.000 1.373 45 Q HN 1.015 nan 8.270 nan 0.000 0.940 46 T N 1.887 116.421 114.554 -0.034 0.000 2.758 46 T HA 0.049 4.399 4.350 -0.001 0.000 0.281 46 T C 0.568 175.247 174.700 -0.034 0.000 0.963 46 T CA 0.299 62.378 62.100 -0.035 0.000 1.201 46 T CB 0.188 69.029 68.868 -0.046 0.000 0.906 46 T HN 0.155 nan 8.240 nan 0.000 0.528 47 R N 2.329 122.813 120.500 -0.026 0.000 3.907 47 R HA 0.288 4.627 4.340 -0.001 0.000 0.241 47 R C 1.152 177.437 176.300 -0.025 0.000 1.784 47 R CA -0.437 55.649 56.100 -0.023 0.000 1.509 47 R CB -0.171 30.119 30.300 -0.016 0.000 1.275 47 R HN 0.674 nan 8.270 nan 0.000 0.642 48 A N 0.896 123.697 122.820 -0.032 0.000 3.293 48 A HA 0.229 4.549 4.320 -0.001 0.000 0.163 48 A C 0.875 178.439 177.584 -0.034 0.000 2.052 48 A CA 0.227 52.245 52.037 -0.032 0.000 1.062 48 A CB 0.517 19.494 19.000 -0.038 0.000 1.908 48 A HN 0.275 nan 8.150 nan 0.000 0.790 49 K N -1.621 118.756 120.400 -0.037 0.000 2.770 49 K HA 0.302 4.621 4.320 -0.001 0.000 0.195 49 K C -0.131 176.442 176.600 -0.045 0.000 1.515 49 K CA 0.542 56.807 56.287 -0.037 0.000 1.199 49 K CB 0.061 32.546 32.500 -0.025 0.000 1.681 49 K HN 1.028 nan 8.250 nan 0.000 0.586 50 I N -0.549 119.992 120.570 -0.047 0.000 9.073 50 I HA -0.236 3.933 4.170 -0.001 0.000 0.126 50 I C 0.315 176.413 176.117 -0.030 0.000 1.833 50 I CA 0.653 61.917 61.300 -0.061 0.000 2.086 50 I CB -0.401 37.525 38.000 -0.123 0.000 3.890 50 I HN 0.196 nan 8.210 nan 0.000 0.184 51 G N 4.119 112.914 108.800 -0.007 0.000 3.100 51 G HA2 0.417 4.376 3.960 -0.001 0.000 0.246 51 G HA3 0.417 4.376 3.960 -0.001 0.000 0.246 51 G C 0.765 175.751 174.900 0.144 0.000 0.898 51 G CA 0.308 45.446 45.100 0.063 0.000 1.934 51 G HN 1.330 nan 8.290 nan 0.000 0.600 52 G N -0.088 108.762 108.800 0.084 0.000 2.593 52 G HA2 0.233 4.193 3.960 -0.001 0.000 0.212 52 G HA3 0.233 4.193 3.960 -0.001 0.000 0.212 52 G C 1.065 176.013 174.900 0.080 0.000 1.934 52 G CA 0.295 45.473 45.100 0.130 0.000 0.861 52 G HN 0.396 nan 8.290 nan 0.000 0.629 53 L N -0.089 121.146 121.223 0.020 0.000 2.653 53 L HA 0.350 4.690 4.340 -0.001 0.000 0.230 53 L C -0.235 176.620 176.870 -0.026 0.000 1.055 53 L CA 0.282 55.113 54.840 -0.015 0.000 0.880 53 L CB 0.497 42.530 42.059 -0.043 0.000 1.195 53 L HN 0.481 nan 8.230 nan 0.000 0.492 54 N N -1.270 117.414 118.700 -0.027 0.000 2.725 54 N HA 0.216 4.956 4.740 -0.001 0.000 0.248 54 N C -0.711 174.786 175.510 -0.021 0.000 1.402 54 N CA -0.212 52.820 53.050 -0.030 0.000 0.766 54 N CB 1.085 39.545 38.487 -0.045 0.000 1.223 54 N HN 0.112 nan 8.380 nan 0.000 0.515 55 D N 0.417 120.814 120.400 -0.006 0.000 1.671 55 D HA 0.115 4.754 4.640 -0.001 0.000 0.578 55 D C -1.492 174.820 176.300 0.020 0.000 1.050 55 D CA 0.531 54.532 54.000 0.002 0.000 1.185 55 D CB -0.616 40.180 40.800 -0.006 0.000 2.086 55 D HN 0.066 nan 8.370 nan 0.000 0.429 56 P HA -0.176 nan 4.420 nan 0.000 0.227 56 P C 0.469 177.790 177.300 0.035 0.000 1.154 56 P CA 2.070 65.188 63.100 0.029 0.000 0.879 56 P CB 0.031 31.753 31.700 0.036 0.000 0.779 57 R N -4.442 116.088 120.500 0.051 0.000 2.425 57 R HA 0.224 4.563 4.340 -0.001 0.000 0.299 57 R C 1.784 178.166 176.300 0.136 0.000 0.830 57 R CA -0.217 55.920 56.100 0.063 0.000 1.052 57 R CB -0.391 29.930 30.300 0.037 0.000 1.747 57 R HN 0.110 nan 8.270 nan 0.000 0.472 58 L N 0.263 121.558 121.223 0.120 0.000 1.988 58 L HA 0.109 4.449 4.340 -0.001 0.000 0.207 58 L C 1.109 178.010 176.870 0.051 0.000 1.071 58 L CA 1.529 56.449 54.840 0.134 0.000 0.744 58 L CB -0.046 42.028 42.059 0.024 0.000 0.893 58 L HN 0.263 nan 8.230 nan 0.000 0.433 59 G N -1.902 106.905 108.800 0.010 0.000 2.387 59 G HA2 0.375 4.334 3.960 -0.001 0.000 0.294 59 G HA3 0.375 4.334 3.960 -0.001 0.000 0.294 59 G C -1.399 173.488 174.900 -0.021 0.000 1.509 59 G CA -0.231 44.847 45.100 -0.036 0.000 0.806 59 G HN 0.036 nan 8.290 nan 0.000 0.546 60 S N -1.011 114.676 115.700 -0.022 0.000 2.693 60 S HA 0.747 5.216 4.470 -0.001 0.000 0.276 60 S C 0.765 175.350 174.600 -0.025 0.000 1.192 60 S CA -0.666 57.524 58.200 -0.016 0.000 0.994 60 S CB 1.952 65.147 63.200 -0.009 0.000 1.012 60 S HN 0.548 nan 8.310 nan 0.000 0.550 61 I N -0.957 119.601 120.570 -0.020 0.000 4.228 61 I HA 0.181 4.351 4.170 -0.001 0.000 0.298 61 I C 0.368 176.476 176.117 -0.015 0.000 1.206 61 I CA 0.142 61.430 61.300 -0.020 0.000 1.322 61 I CB 0.186 38.175 38.000 -0.019 0.000 1.411 61 I HN 0.510 nan 8.210 nan 0.000 0.454 62 D N 2.219 122.612 120.400 -0.013 0.000 3.060 62 D HA 0.153 4.792 4.640 -0.001 0.000 0.245 62 D C 0.460 176.753 176.300 -0.011 0.000 1.274 62 D CA -0.063 53.931 54.000 -0.011 0.000 0.864 62 D CB -0.253 40.541 40.800 -0.010 0.000 1.073 62 D HN 0.044 nan 8.370 nan 0.000 0.473 63 R N -0.566 119.926 120.500 -0.013 0.000 3.989 63 R HA -0.265 4.074 4.340 -0.001 0.000 0.335 63 R C -0.351 175.944 176.300 -0.009 0.000 1.223 63 R CA 0.801 56.894 56.100 -0.012 0.000 0.962 63 R CB -2.251 28.041 30.300 -0.012 0.000 1.393 63 R HN 0.405 nan 8.270 nan 0.000 0.554 64 N N 0.472 119.168 118.700 -0.008 0.000 2.529 64 N HA 0.184 4.924 4.740 -0.001 0.000 0.278 64 N C 1.076 176.585 175.510 -0.002 0.000 1.146 64 N CA -0.427 52.620 53.050 -0.005 0.000 0.980 64 N CB 0.597 39.081 38.487 -0.005 0.000 1.124 64 N HN 0.012 nan 8.380 nan 0.000 0.458 65 L N 1.196 122.420 121.223 0.001 0.000 2.450 65 L HA -0.115 4.225 4.340 -0.001 0.000 0.224 65 L C 0.754 177.631 176.870 0.011 0.000 1.149 65 L CA 1.035 55.879 54.840 0.005 0.000 0.816 65 L CB -0.380 41.682 42.059 0.006 0.000 0.932 65 L HN 0.416 nan 8.230 nan 0.000 0.449 66 K N 0.289 120.696 120.400 0.010 0.000 2.449 66 K HA 0.039 4.358 4.320 -0.001 0.000 0.237 66 K C 0.117 176.734 176.600 0.028 0.000 1.265 66 K CA -0.185 56.112 56.287 0.016 0.000 1.193 66 K CB -0.215 32.292 32.500 0.010 0.000 1.515 66 K HN 0.174 nan 8.250 nan 0.000 0.259 67 c N 3.416 122.041 118.600 0.043 0.000 2.882 67 c HA 0.027 4.596 4.570 -0.001 0.000 0.492 67 c C 0.115 174.276 174.090 0.118 0.000 1.279 67 c CA -0.309 56.070 56.329 0.083 0.000 1.551 67 c CB -2.302 40.256 42.510 0.081 0.000 2.037 67 c HN 0.901 nan 8.230 nan 0.000 0.625 68 Q N 0.829 120.670 119.800 0.070 0.000 2.417 68 Q HA -0.228 4.111 4.340 -0.001 0.000 0.362 68 Q C 0.408 176.420 176.000 0.020 0.000 1.384 68 Q CA 1.105 56.932 55.803 0.039 0.000 1.017 68 Q CB -2.163 26.594 28.738 0.031 0.000 1.157 68 Q HN 0.775 nan 8.270 nan 0.000 0.313 69 T N -1.462 113.101 114.554 0.016 0.000 11.905 69 T HA -0.447 3.902 4.350 -0.001 0.000 0.415 69 T C 1.484 176.194 174.700 0.017 0.000 1.473 69 T CA 2.558 64.664 62.100 0.010 0.000 2.431 69 T CB -2.639 66.228 68.868 -0.001 0.000 2.843 69 T HN 1.552 nan 8.240 nan 0.000 0.889 70 C N 4.691 124.006 119.300 0.026 0.000 2.485 70 C HA 0.322 4.781 4.460 -0.001 0.000 0.283 70 C C 1.704 176.719 174.990 0.041 0.000 1.478 70 C CA 0.405 59.445 59.018 0.037 0.000 1.741 70 C CB -2.023 25.753 27.740 0.060 0.000 1.675 70 C HN 1.016 nan 8.230 nan 0.000 0.573 71 Q N 0.732 120.554 119.800 0.036 0.000 1.302 71 Q HA -0.419 3.920 4.340 -0.001 0.000 0.395 71 Q C 0.430 176.446 176.000 0.027 0.000 0.988 71 Q CA 1.689 57.508 55.803 0.027 0.000 0.601 71 Q CB -1.664 27.085 28.738 0.019 0.000 4.766 71 Q HN 0.615 nan 8.270 nan 0.000 0.569 72 E N -0.630 119.581 120.200 0.019 0.000 3.673 72 E HA -0.217 4.132 4.350 -0.001 0.000 0.309 72 E C 0.649 177.253 176.600 0.008 0.000 0.819 72 E CA 1.817 58.225 56.400 0.015 0.000 1.111 72 E CB -1.828 27.884 29.700 0.020 0.000 1.561 72 E HN 1.402 nan 8.360 nan 0.000 0.450 73 G N -0.649 108.155 108.800 0.006 0.000 2.698 73 G HA2 -0.361 3.598 3.960 -0.001 0.000 0.233 73 G HA3 -0.361 3.598 3.960 -0.001 0.000 0.233 73 G C 0.596 175.490 174.900 -0.010 0.000 1.352 73 G CA 0.064 45.163 45.100 -0.002 0.000 0.879 73 G HN 0.100 nan 8.290 nan 0.000 0.567 74 M N 0.081 119.671 119.600 -0.017 0.000 2.419 74 M HA 0.034 4.513 4.480 -0.001 0.000 0.264 74 M C 1.704 177.988 176.300 -0.027 0.000 1.082 74 M CA 0.969 56.253 55.300 -0.027 0.000 1.119 74 M CB -0.153 32.430 32.600 -0.028 0.000 1.398 74 M HN 0.419 nan 8.290 nan 0.000 0.453 75 N N 0.754 119.442 118.700 -0.019 0.000 2.466 75 N HA -0.005 4.735 4.740 -0.001 0.000 0.251 75 N C 0.365 175.867 175.510 -0.014 0.000 1.164 75 N CA 0.527 53.566 53.050 -0.019 0.000 0.888 75 N CB 0.230 38.706 38.487 -0.018 0.000 1.177 75 N HN 0.278 nan 8.380 nan 0.000 0.498 76 E N -1.755 118.437 120.200 -0.013 0.000 2.097 76 E HA 0.090 4.440 4.350 -0.001 0.000 0.231 76 E C -0.716 175.883 176.600 -0.003 0.000 1.073 76 E CA -0.116 56.282 56.400 -0.004 0.000 1.554 76 E CB -0.526 29.177 29.700 0.005 0.000 3.728 76 E HN 0.124 nan 8.360 nan 0.000 1.007 77 c N 4.759 123.353 118.600 -0.011 0.000 2.663 77 c HA 0.286 4.856 4.570 -0.001 0.000 0.398 77 c C -1.028 173.015 174.090 -0.077 0.000 1.356 77 c CA -0.854 55.460 56.329 -0.024 0.000 1.629 77 c CB 0.466 42.955 42.510 -0.035 0.000 2.402 77 c HN 0.390 nan 8.230 nan 0.000 0.598 78 P HA 0.135 nan 4.420 nan 0.000 0.226 78 P C 0.583 177.783 177.300 -0.167 0.000 1.153 78 P CA 1.436 64.494 63.100 -0.070 0.000 0.777 78 P CB -0.158 31.543 31.700 0.002 0.000 0.794 79 G N 1.485 110.070 108.800 -0.359 0.000 3.285 79 G HA2 -0.117 3.843 3.960 -0.001 0.000 0.685 79 G HA3 -0.117 3.843 3.960 -0.001 0.000 0.685 79 G C -0.648 173.967 174.900 -0.475 0.000 0.938 79 G CA -0.622 44.158 45.100 -0.534 0.000 0.778 79 G HN 0.564 nan 8.290 nan 0.000 0.515 80 H N 1.253 120.293 119.070 -0.051 0.000 2.569 80 H HA 0.667 5.223 4.556 -0.001 0.000 0.357 80 H C 0.008 175.336 175.328 -0.001 0.000 1.153 80 H CA -1.078 54.990 56.048 0.034 0.000 1.193 80 H CB 1.259 31.064 29.762 0.072 0.000 1.602 80 H HN 0.324 nan 8.280 nan 0.000 0.523 81 F N 0.584 120.620 119.950 0.143 0.000 2.444 81 F HA 0.344 4.871 4.527 -0.001 0.000 0.331 81 F C 1.421 177.268 175.800 0.078 0.000 1.167 81 F CA 0.676 58.723 58.000 0.079 0.000 1.262 81 F CB 0.871 39.896 39.000 0.041 0.000 1.196 81 F HN 0.688 nan 8.300 nan 0.000 0.583 82 G N -0.361 108.583 108.800 0.241 0.000 2.938 82 G HA2 0.609 4.569 3.960 -0.001 0.000 0.258 82 G HA3 0.609 4.569 3.960 -0.001 0.000 0.258 82 G C -1.869 173.166 174.900 0.226 0.000 1.356 82 G CA -0.611 44.601 45.100 0.188 0.000 1.052 82 G HN 0.871 nan 8.290 nan 0.000 0.550 83 H N -2.536 116.542 119.070 0.014 0.000 3.079 83 H HA 0.608 5.164 4.556 -0.001 0.000 0.356 83 H C -1.074 174.235 175.328 -0.033 0.000 1.221 83 H CA -1.129 54.905 56.048 -0.024 0.000 1.185 83 H CB 1.381 31.109 29.762 -0.056 0.000 1.882 83 H HN 0.680 nan 8.280 nan 0.000 0.543 84 I N -0.047 120.393 120.570 -0.217 0.000 2.569 84 I HA 0.498 4.668 4.170 -0.001 0.000 0.296 84 I C -0.974 175.065 176.117 -0.131 0.000 1.028 84 I CA -0.990 60.150 61.300 -0.266 0.000 1.082 84 I CB 2.346 40.249 38.000 -0.161 0.000 1.264 84 I HN 0.501 nan 8.210 nan 0.000 0.429 85 D N 7.028 127.347 120.400 -0.135 0.000 2.456 85 D HA 0.363 5.002 4.640 -0.001 0.000 0.219 85 D C -0.438 175.841 176.300 -0.035 0.000 1.126 85 D CA -0.161 53.822 54.000 -0.029 0.000 0.890 85 D CB 1.428 42.224 40.800 -0.007 0.000 1.025 85 D HN 0.457 nan 8.370 nan 0.000 0.511 86 L N -0.697 120.514 121.223 -0.021 0.000 2.319 86 L HA 0.505 4.844 4.340 -0.001 0.000 0.280 86 L C 1.461 178.326 176.870 -0.009 0.000 1.099 86 L CA -0.597 54.230 54.840 -0.021 0.000 0.828 86 L CB 0.844 42.890 42.059 -0.022 0.000 1.150 86 L HN 0.122 nan 8.230 nan 0.000 0.442 87 A N 2.782 125.598 122.820 -0.008 0.000 1.933 87 A HA 0.000 4.320 4.320 -0.001 0.000 0.218 87 A C 1.072 178.650 177.584 -0.009 0.000 1.175 87 A CA 1.208 53.244 52.037 -0.001 0.000 0.628 87 A CB -0.207 18.795 19.000 0.004 0.000 0.814 87 A HN 0.686 nan 8.150 nan 0.000 0.444 88 K N 0.547 120.937 120.400 -0.018 0.000 2.425 88 K HA 0.393 4.713 4.320 -0.001 0.000 0.259 88 K C -2.953 173.619 176.600 -0.045 0.000 0.978 88 K CA -2.382 53.887 56.287 -0.030 0.000 0.883 88 K CB 1.128 33.609 32.500 -0.032 0.000 1.110 88 K HN 0.003 nan 8.250 nan 0.000 0.436 89 P HA -0.116 nan 4.420 nan 0.000 0.263 89 P C -0.552 176.649 177.300 -0.164 0.000 1.162 89 P CA 0.242 63.294 63.100 -0.079 0.000 0.758 89 P CB 0.435 32.090 31.700 -0.075 0.000 0.773 90 V N 4.637 124.467 119.914 -0.140 0.000 2.823 90 V HA 0.375 4.495 4.120 -0.001 0.000 0.312 90 V C 0.066 176.084 176.094 -0.127 0.000 1.072 90 V CA -0.641 61.555 62.300 -0.174 0.000 0.937 90 V CB 1.372 33.173 31.823 -0.037 0.000 1.013 90 V HN 0.290 nan 8.190 nan 0.000 0.430 91 F N 1.841 121.849 119.950 0.097 0.000 2.506 91 F HA 0.290 4.816 4.527 -0.001 0.000 0.351 91 F C 0.585 176.462 175.800 0.129 0.000 1.136 91 F CA 0.092 58.165 58.000 0.123 0.000 1.298 91 F CB 0.016 39.081 39.000 0.110 0.000 1.145 91 F HN 0.507 nan 8.300 nan 0.000 0.593 92 H N 0.891 120.154 119.070 0.322 0.000 2.525 92 H HA 0.318 4.874 4.556 -0.001 0.000 0.339 92 H C 0.715 176.118 175.328 0.125 0.000 1.109 92 H CA -0.541 55.651 56.048 0.240 0.000 1.352 92 H CB 1.193 31.186 29.762 0.385 0.000 1.461 92 H HN 0.421 nan 8.280 nan 0.000 0.533 93 V N 2.960 122.922 119.914 0.080 0.000 2.379 93 V HA -0.064 4.055 4.120 -0.001 0.000 0.245 93 V C 2.179 178.189 176.094 -0.141 0.000 1.044 93 V CA 1.742 64.036 62.300 -0.010 0.000 1.036 93 V CB -0.600 31.190 31.823 -0.056 0.000 0.664 93 V HN 0.950 nan 8.190 nan 0.000 0.453 94 G N -1.719 106.809 108.800 -0.453 0.000 3.124 94 G HA2 0.082 4.041 3.960 -0.001 0.000 0.212 94 G HA3 0.082 4.041 3.960 -0.001 0.000 0.212 94 G C 0.654 174.919 174.900 -1.059 0.000 1.181 94 G CA 0.086 44.533 45.100 -1.089 0.000 0.803 94 G HN 0.498 nan 8.290 nan 0.000 0.529 95 F N -0.461 119.342 119.950 -0.245 0.000 2.856 95 F HA 0.363 4.890 4.527 -0.001 0.000 0.338 95 F C 1.816 177.572 175.800 -0.073 0.000 1.100 95 F CA -1.062 56.841 58.000 -0.161 0.000 1.150 95 F CB 0.321 39.235 39.000 -0.144 0.000 1.101 95 F HN -0.022 nan 8.300 nan 0.000 0.548 96 I N 0.614 121.218 120.570 0.057 0.000 2.163 96 I HA -0.310 3.860 4.170 -0.001 0.000 0.243 96 I C 2.660 178.779 176.117 0.002 0.000 1.085 96 I CA 1.747 63.046 61.300 -0.001 0.000 1.347 96 I CB -1.541 36.427 38.000 -0.053 0.000 1.044 96 I HN 0.135 nan 8.210 nan 0.000 0.408 97 A N 0.617 123.428 122.820 -0.015 0.000 1.908 97 A HA -0.190 4.130 4.320 -0.001 0.000 0.218 97 A C 2.114 179.700 177.584 0.004 0.000 1.181 97 A CA 1.415 53.437 52.037 -0.027 0.000 0.627 97 A CB -0.471 18.491 19.000 -0.064 0.000 0.818 97 A HN 0.381 nan 8.150 nan 0.000 0.445 98 K N -0.929 119.501 120.400 0.050 0.000 2.520 98 K HA 0.376 4.695 4.320 -0.001 0.000 0.205 98 K C 0.491 177.178 176.600 0.145 0.000 1.035 98 K CA 0.020 56.365 56.287 0.097 0.000 1.188 98 K CB 0.039 32.588 32.500 0.082 0.000 0.894 98 K HN 0.534 nan 8.250 nan 0.000 0.497 99 I N -0.372 120.280 120.570 0.137 0.000 3.718 99 I HA -0.093 4.076 4.170 -0.001 0.000 0.297 99 I C 2.155 178.396 176.117 0.206 0.000 1.220 99 I CA 0.237 61.637 61.300 0.167 0.000 1.381 99 I CB 0.242 38.338 38.000 0.160 0.000 1.238 99 I HN -0.001 nan 8.210 nan 0.000 0.448 100 K N 1.767 122.248 120.400 0.135 0.000 2.057 100 K HA -0.173 4.147 4.320 -0.001 0.000 0.207 100 K C 1.959 178.705 176.600 0.244 0.000 1.049 100 K CA 1.480 57.855 56.287 0.146 0.000 0.931 100 K CB 0.124 32.678 32.500 0.091 0.000 0.714 100 K HN 0.139 nan 8.250 nan 0.000 0.440 101 K N 0.173 120.704 120.400 0.217 0.000 2.057 101 K HA -0.095 4.224 4.320 -0.001 0.000 0.207 101 K C 1.995 178.846 176.600 0.417 0.000 1.049 101 K CA 1.401 57.851 56.287 0.272 0.000 0.931 101 K CB 0.046 32.469 32.500 -0.128 0.000 0.714 101 K HN 0.014 nan 8.250 nan 0.000 0.440 102 V N 0.602 120.751 119.914 0.392 0.000 2.453 102 V HA -0.230 3.889 4.120 -0.001 0.000 0.247 102 V C 2.262 178.573 176.094 0.363 0.000 1.048 102 V CA 1.316 63.868 62.300 0.419 0.000 1.049 102 V CB -0.328 31.762 31.823 0.445 0.000 0.672 102 V HN 0.398 nan 8.190 nan 0.000 0.457 103 C N -0.124 119.377 119.300 0.335 0.000 2.446 103 C HA -0.038 4.421 4.460 -0.001 0.000 0.279 103 C C 2.324 177.383 174.990 0.115 0.000 1.366 103 C CA 0.311 59.442 59.018 0.188 0.000 1.763 103 C CB -0.999 26.840 27.740 0.164 0.000 1.929 103 C HN 0.576 nan 8.230 nan 0.000 0.509 104 E N -1.209 119.093 120.200 0.170 0.000 2.512 104 E HA -0.084 4.266 4.350 -0.001 0.000 0.195 104 E C 1.600 178.229 176.600 0.048 0.000 1.083 104 E CA 0.162 56.622 56.400 0.101 0.000 0.873 104 E CB 0.033 29.837 29.700 0.173 0.000 0.897 104 E HN 0.677 nan 8.360 nan 0.000 0.514 105 C N -0.499 118.857 119.300 0.092 0.000 3.095 105 C HA 0.221 4.681 4.460 -0.001 0.000 0.472 105 C C 0.574 175.581 174.990 0.028 0.000 1.348 105 C CA -0.256 58.794 59.018 0.053 0.000 2.206 105 C CB 0.495 28.298 27.740 0.105 0.000 3.088 105 C HN -0.051 nan 8.230 nan 0.000 0.599 106 V N 1.161 121.097 119.914 0.037 0.000 2.532 106 V HA 0.332 4.451 4.120 -0.001 0.000 0.295 106 V C 0.557 176.622 176.094 -0.048 0.000 1.041 106 V CA -0.556 61.737 62.300 -0.012 0.000 0.926 106 V CB 1.129 32.937 31.823 -0.025 0.000 0.992 106 V HN 0.549 nan 8.190 nan 0.000 0.457 107 c N 5.103 123.672 118.600 -0.052 0.000 2.713 107 c HA 0.146 4.716 4.570 -0.001 0.000 0.330 107 c C 1.866 175.905 174.090 -0.084 0.000 1.416 107 c CA -0.210 56.091 56.329 -0.047 0.000 2.351 107 c CB 0.375 42.872 42.510 -0.022 0.000 2.388 107 c HN 0.905 nan 8.230 nan 0.000 0.729 108 M N 0.740 120.293 119.600 -0.078 0.000 2.384 108 M HA 0.050 4.529 4.480 -0.001 0.000 0.258 108 M C 2.020 178.182 176.300 -0.231 0.000 1.130 108 M CA 1.833 57.024 55.300 -0.182 0.000 1.187 108 M CB -1.671 30.788 32.600 -0.233 0.000 1.307 108 M HN 0.717 nan 8.290 nan 0.000 0.468 109 H N -0.473 118.576 119.070 -0.034 0.000 2.384 109 H HA 0.016 4.572 4.556 -0.001 0.000 0.300 109 H C 2.325 177.600 175.328 -0.088 0.000 1.057 109 H CA 1.965 57.983 56.048 -0.049 0.000 1.370 109 H CB 0.066 29.807 29.762 -0.036 0.000 1.417 109 H HN 0.547 nan 8.280 nan 0.000 0.527 110 C N -0.730 118.583 119.300 0.022 0.000 2.611 110 C HA 0.519 4.979 4.460 -0.001 0.000 0.282 110 C C 1.485 176.411 174.990 -0.106 0.000 1.321 110 C CA 0.338 59.319 59.018 -0.062 0.000 1.747 110 C CB -0.261 27.452 27.740 -0.045 0.000 2.124 110 C HN 0.650 nan 8.230 nan 0.000 0.531 111 G N 1.424 110.170 108.800 -0.090 0.000 2.623 111 G HA2 -0.076 3.884 3.960 -0.001 0.000 0.281 111 G HA3 -0.076 3.884 3.960 -0.001 0.000 0.281 111 G C -0.631 174.217 174.900 -0.087 0.000 1.087 111 G CA 0.450 45.486 45.100 -0.107 0.000 1.244 111 G HN 0.958 nan 8.290 nan 0.000 0.544 112 K N 0.084 120.443 120.400 -0.068 0.000 2.555 112 K HA 0.642 4.961 4.320 -0.001 0.000 0.279 112 K C 0.562 177.140 176.600 -0.037 0.000 0.986 112 K CA -1.227 55.027 56.287 -0.055 0.000 0.880 112 K CB 1.424 33.895 32.500 -0.047 0.000 1.474 112 K HN 0.224 nan 8.250 nan 0.000 0.433 113 L N 3.167 124.374 121.223 -0.027 0.000 2.483 113 L HA 0.011 4.350 4.340 -0.001 0.000 0.275 113 L C 1.486 178.348 176.870 -0.013 0.000 1.220 113 L CA 0.135 54.968 54.840 -0.011 0.000 0.833 113 L CB 0.220 42.279 42.059 0.001 0.000 1.102 113 L HN 0.664 nan 8.230 nan 0.000 0.490 114 L N 2.338 123.552 121.223 -0.014 0.000 2.095 114 L HA 0.043 4.382 4.340 -0.001 0.000 0.204 114 L C 0.211 177.072 176.870 -0.016 0.000 1.080 114 L CA 0.988 55.815 54.840 -0.022 0.000 0.759 114 L CB 0.056 42.096 42.059 -0.033 0.000 0.914 114 L HN 0.424 nan 8.230 nan 0.000 0.439 115 L N -0.293 120.930 121.223 -0.001 0.000 2.406 115 L HA 0.339 4.678 4.340 -0.001 0.000 0.272 115 L C -0.844 176.057 176.870 0.052 0.000 0.980 115 L CA -0.562 54.291 54.840 0.020 0.000 0.831 115 L CB 2.033 44.098 42.059 0.011 0.000 1.253 115 L HN -0.044 nan 8.230 nan 0.000 0.406 116 D N 1.277 121.743 120.400 0.111 0.000 2.530 116 D HA 0.113 4.752 4.640 -0.001 0.000 0.282 116 D C 0.667 177.023 176.300 0.094 0.000 1.204 116 D CA -0.381 53.698 54.000 0.132 0.000 1.093 116 D CB 0.774 41.716 40.800 0.238 0.000 1.154 116 D HN 0.453 nan 8.370 nan 0.000 0.593 117 E N -0.343 119.862 120.200 0.009 0.000 2.455 117 E HA -0.157 4.192 4.350 -0.001 0.000 0.202 117 E C 1.628 178.169 176.600 -0.098 0.000 1.045 117 E CA 0.776 57.135 56.400 -0.068 0.000 0.872 117 E CB -0.148 29.477 29.700 -0.125 0.000 0.792 117 E HN 0.348 nan 8.360 nan 0.000 0.542 118 H N -0.187 118.882 119.070 -0.001 0.000 2.353 118 H HA -0.042 4.514 4.556 -0.001 0.000 0.300 118 H C 1.164 176.490 175.328 -0.003 0.000 1.090 118 H CA 0.791 56.837 56.048 -0.003 0.000 1.327 118 H CB -0.057 29.702 29.762 -0.005 0.000 1.383 118 H HN 0.121 nan 8.280 nan 0.000 0.508 119 N N 1.223 119.993 118.700 0.118 0.000 2.444 119 N HA -0.081 4.658 4.740 -0.001 0.000 0.255 119 N C 0.979 176.508 175.510 0.031 0.000 1.255 119 N CA 0.315 53.400 53.050 0.058 0.000 0.933 119 N CB 1.472 39.984 38.487 0.041 0.000 1.143 119 N HN 0.323 nan 8.380 nan 0.000 0.453 120 E N 1.320 121.533 120.200 0.021 0.000 2.431 120 E HA 0.135 4.485 4.350 -0.001 0.000 0.200 120 E C 1.337 177.944 176.600 0.012 0.000 0.995 120 E CA 0.056 56.464 56.400 0.013 0.000 0.915 120 E CB 0.291 29.997 29.700 0.011 0.000 0.930 120 E HN 0.560 nan 8.360 nan 0.000 0.496 121 L N 0.204 121.434 121.223 0.012 0.000 2.270 121 L HA 0.014 4.354 4.340 -0.001 0.000 0.210 121 L C 2.219 179.096 176.870 0.013 0.000 1.104 121 L CA 0.349 55.195 54.840 0.010 0.000 0.804 121 L CB 0.041 42.103 42.059 0.005 0.000 0.937 121 L HN 0.242 nan 8.230 nan 0.000 0.450 122 M N -0.453 119.155 119.600 0.015 0.000 2.334 122 M HA -0.044 4.435 4.480 -0.001 0.000 0.266 122 M C 2.199 178.511 176.300 0.020 0.000 1.082 122 M CA 1.498 56.808 55.300 0.018 0.000 1.141 122 M CB -0.171 32.442 32.600 0.021 0.000 1.380 122 M HN -0.062 nan 8.290 nan 0.000 0.440 123 R N -0.539 119.971 120.500 0.016 0.000 2.105 123 R HA -0.176 4.163 4.340 -0.001 0.000 0.239 123 R C 2.095 178.406 176.300 0.018 0.000 1.135 123 R CA 1.838 57.946 56.100 0.013 0.000 0.967 123 R CB -0.378 29.925 30.300 0.005 0.000 0.861 123 R HN 0.560 nan 8.270 nan 0.000 0.442 124 Q N -0.660 119.151 119.800 0.019 0.000 2.230 124 Q HA -0.014 4.325 4.340 -0.001 0.000 0.202 124 Q C 1.981 177.999 176.000 0.029 0.000 0.963 124 Q CA 1.181 56.997 55.803 0.023 0.000 0.866 124 Q CB 0.157 28.907 28.738 0.020 0.000 0.931 124 Q HN 0.367 nan 8.270 nan 0.000 0.452 125 A N 0.440 123.279 122.820 0.031 0.000 1.903 125 A HA -0.038 4.282 4.320 -0.001 0.000 0.213 125 A C 1.952 179.565 177.584 0.047 0.000 1.185 125 A CA 0.581 52.642 52.037 0.040 0.000 0.628 125 A CB -0.378 18.643 19.000 0.036 0.000 0.830 125 A HN 0.245 nan 8.150 nan 0.000 0.446 126 L N -0.583 120.665 121.223 0.042 0.000 2.141 126 L HA -0.129 4.210 4.340 -0.001 0.000 0.209 126 L C 2.848 179.747 176.870 0.048 0.000 1.094 126 L CA 1.036 55.905 54.840 0.048 0.000 0.763 126 L CB -0.258 41.824 42.059 0.039 0.000 0.908 126 L HN 0.422 nan 8.230 nan 0.000 0.437 127 A N -0.566 122.278 122.820 0.039 0.000 2.072 127 A HA 0.069 4.388 4.320 -0.001 0.000 0.216 127 A C 1.247 178.855 177.584 0.041 0.000 1.156 127 A CA -0.067 51.992 52.037 0.037 0.000 0.701 127 A CB -0.256 18.761 19.000 0.028 0.000 0.816 127 A HN 0.244 nan 8.150 nan 0.000 0.458 128 I N 1.044 121.641 120.570 0.044 0.000 2.752 128 I HA 0.011 4.180 4.170 -0.001 0.000 0.287 128 I C 0.139 176.286 176.117 0.050 0.000 1.188 128 I CA -0.127 61.200 61.300 0.045 0.000 1.427 128 I CB 0.642 38.670 38.000 0.048 0.000 1.365 128 I HN 0.236 nan 8.210 nan 0.000 0.585 129 K N 5.834 126.261 120.400 0.045 0.000 2.230 129 K HA 0.107 4.427 4.320 -0.001 0.000 0.253 129 K C -0.227 176.402 176.600 0.048 0.000 1.008 129 K CA -0.098 56.216 56.287 0.045 0.000 0.910 129 K CB 0.181 32.704 32.500 0.038 0.000 0.994 129 K HN 0.730 nan 8.250 nan 0.000 0.495 130 D N -0.629 119.798 120.400 0.046 0.000 10.737 130 D HA -0.129 4.510 4.640 -0.001 0.000 0.342 130 D C -0.313 176.020 176.300 0.056 0.000 3.138 130 D CA 0.403 54.429 54.000 0.043 0.000 2.684 130 D CB -0.063 40.759 40.800 0.036 0.000 1.221 130 D HN 0.514 nan 8.370 nan 0.000 0.944 131 S N 2.110 117.836 115.700 0.044 0.000 2.468 131 S HA 0.035 4.504 4.470 -0.001 0.000 0.226 131 S C 1.682 176.321 174.600 0.066 0.000 1.051 131 S CA 0.676 58.910 58.200 0.056 0.000 0.943 131 S CB 0.240 63.449 63.200 0.014 0.000 0.810 131 S HN 0.400 nan 8.310 nan 0.000 0.509 132 K N 1.410 121.824 120.400 0.023 0.000 2.167 132 K HA 0.109 4.428 4.320 -0.001 0.000 0.203 132 K C 1.815 178.463 176.600 0.081 0.000 1.052 132 K CA 0.764 57.059 56.287 0.014 0.000 0.956 132 K CB 0.060 32.536 32.500 -0.039 0.000 0.735 132 K HN 0.182 nan 8.250 nan 0.000 0.451 133 K N 0.339 120.786 120.400 0.078 0.000 2.243 133 K HA -0.024 4.295 4.320 -0.001 0.000 0.201 133 K C 2.132 178.803 176.600 0.119 0.000 1.051 133 K CA 0.448 56.789 56.287 0.089 0.000 0.970 133 K CB 0.098 32.637 32.500 0.064 0.000 0.755 133 K HN 0.046 nan 8.250 nan 0.000 0.465 134 R N 0.753 121.331 120.500 0.129 0.000 2.066 134 R HA -0.121 4.219 4.340 -0.001 0.000 0.232 134 R C 2.095 178.505 176.300 0.183 0.000 1.131 134 R CA 1.255 57.438 56.100 0.137 0.000 0.955 134 R CB -0.344 30.035 30.300 0.130 0.000 0.851 134 R HN 0.114 nan 8.270 nan 0.000 0.432 135 F N 1.271 121.266 119.950 0.075 0.000 2.192 135 F HA -0.224 4.303 4.527 -0.001 0.000 0.301 135 F C 2.093 177.967 175.800 0.123 0.000 1.079 135 F CA 1.701 59.759 58.000 0.097 0.000 1.303 135 F CB -0.222 38.812 39.000 0.057 0.000 1.024 135 F HN 0.176 nan 8.300 nan 0.000 0.494 136 A N -0.130 122.853 122.820 0.271 0.000 1.929 136 A HA 0.031 4.350 4.320 -0.001 0.000 0.216 136 A C 2.339 180.020 177.584 0.162 0.000 1.176 136 A CA 1.372 53.536 52.037 0.211 0.000 0.628 136 A CB -1.343 17.761 19.000 0.173 0.000 0.816 136 A HN 0.441 nan 8.150 nan 0.000 0.444 137 A N -0.150 122.740 122.820 0.117 0.000 1.929 137 A HA 0.037 4.356 4.320 -0.001 0.000 0.216 137 A C 2.063 179.680 177.584 0.056 0.000 1.176 137 A CA 1.297 53.383 52.037 0.082 0.000 0.628 137 A CB -0.507 18.534 19.000 0.068 0.000 0.816 137 A HN 0.472 nan 8.150 nan 0.000 0.444 138 I N -2.625 117.965 120.570 0.033 0.000 2.163 138 I HA -0.246 3.924 4.170 -0.001 0.000 0.240 138 I C 2.393 178.505 176.117 -0.010 0.000 1.081 138 I CA 1.548 62.842 61.300 -0.011 0.000 1.353 138 I CB -0.390 37.573 38.000 -0.061 0.000 1.054 138 I HN 0.649 nan 8.210 nan 0.000 0.407 139 W N 1.796 122.955 121.300 -0.235 0.000 2.338 139 W HA -0.228 4.432 4.660 -0.001 0.000 0.304 139 W C 2.556 179.019 176.519 -0.094 0.000 1.212 139 W CA 2.176 59.400 57.345 -0.202 0.000 1.264 139 W CB -0.443 28.864 29.460 -0.254 0.000 1.142 139 W HN 0.014 nan 8.180 nan 0.000 0.512 140 T N 0.875 115.474 114.554 0.075 0.000 2.881 140 T HA -0.126 4.224 4.350 -0.001 0.000 0.270 140 T C 1.136 175.748 174.700 -0.147 0.000 1.068 140 T CA 1.091 63.156 62.100 -0.059 0.000 1.131 140 T CB -0.321 68.588 68.868 0.068 0.000 0.871 140 T HN 0.023 nan 8.240 nan 0.000 0.479 141 L N 0.361 121.520 121.223 -0.108 0.000 3.096 141 L HA 0.382 4.721 4.340 -0.001 0.000 0.247 141 L C 0.308 177.103 176.870 -0.124 0.000 1.321 141 L CA -0.310 54.469 54.840 -0.102 0.000 1.044 141 L CB 0.452 42.482 42.059 -0.048 0.000 1.434 141 L HN 0.247 nan 8.230 nan 0.000 0.533 142 C N -1.639 117.537 119.300 -0.207 0.000 4.665 142 C HA -0.023 4.437 4.460 -0.001 0.000 0.452 142 C C 2.185 177.018 174.990 -0.262 0.000 1.647 142 C CA -0.354 58.548 59.018 -0.193 0.000 2.146 142 C CB 0.274 27.925 27.740 -0.148 0.000 3.201 142 C HN 0.644 nan 8.230 nan 0.000 0.626 143 K N 0.986 121.136 120.400 -0.417 0.000 2.366 143 K HA 0.011 4.330 4.320 -0.001 0.000 0.198 143 K C 1.260 177.702 176.600 -0.264 0.000 1.044 143 K CA 1.669 57.702 56.287 -0.423 0.000 0.973 143 K CB -0.434 31.642 32.500 -0.706 0.000 0.767 143 K HN 0.323 nan 8.250 nan 0.000 0.475 144 T N 1.131 115.555 114.554 -0.217 0.000 2.812 144 T HA -0.038 4.311 4.350 -0.001 0.000 0.264 144 T C 0.587 175.220 174.700 -0.112 0.000 1.042 144 T CA 0.858 62.870 62.100 -0.146 0.000 1.140 144 T CB 0.022 68.819 68.868 -0.119 0.000 0.870 144 T HN 0.201 nan 8.240 nan 0.000 0.445 145 K N 0.982 121.318 120.400 -0.106 0.000 2.298 145 K HA 0.313 4.633 4.320 -0.001 0.000 0.280 145 K C 0.477 177.031 176.600 -0.076 0.000 1.032 145 K CA 0.020 56.261 56.287 -0.078 0.000 0.958 145 K CB 1.013 33.473 32.500 -0.066 0.000 0.978 145 K HN 0.207 nan 8.250 nan 0.000 0.472 146 M N 1.349 120.916 119.600 -0.056 0.000 2.925 146 M HA 0.014 4.494 4.480 -0.001 0.000 0.249 146 M C 0.246 176.536 176.300 -0.018 0.000 1.439 146 M CA -0.050 55.222 55.300 -0.048 0.000 1.217 146 M CB 0.275 32.848 32.600 -0.044 0.000 1.245 146 M HN 0.267 nan 8.290 nan 0.000 0.552 147 V N -0.710 119.198 119.914 -0.009 0.000 2.585 147 V HA -0.000 4.119 4.120 -0.001 0.000 0.296 147 V C 1.176 177.269 176.094 -0.002 0.000 1.035 147 V CA -0.737 61.567 62.300 0.005 0.000 1.084 147 V CB 0.688 32.511 31.823 0.001 0.000 0.953 147 V HN 0.594 nan 8.190 nan 0.000 0.483 148 c N 3.013 121.620 118.600 0.012 0.000 2.457 148 c HA 0.093 4.662 4.570 -0.001 0.000 0.278 148 c C 1.183 175.265 174.090 -0.013 0.000 1.309 148 c CA 1.045 57.377 56.329 0.004 0.000 1.735 148 c CB -1.595 40.931 42.510 0.027 0.000 1.992 148 c HN 1.169 nan 8.230 nan 0.000 0.493 149 E N -1.676 118.517 120.200 -0.012 0.000 7.825 149 E HA -0.184 4.165 4.350 -0.001 0.000 0.465 149 E C 0.665 177.243 176.600 -0.036 0.000 0.585 149 E CA 0.566 56.951 56.400 -0.026 0.000 1.026 149 E CB -0.482 29.197 29.700 -0.035 0.000 0.978 149 E HN 0.643 nan 8.360 nan 0.000 0.265 150 T N -1.218 113.314 114.554 -0.038 0.000 3.037 150 T HA 0.194 4.544 4.350 -0.001 0.000 0.252 150 T C 0.360 175.026 174.700 -0.057 0.000 1.073 150 T CA 1.084 63.159 62.100 -0.043 0.000 1.091 150 T CB 0.317 69.164 68.868 -0.034 0.000 0.935 150 T HN 0.435 nan 8.240 nan 0.000 0.488 151 D N -1.084 119.279 120.400 -0.061 0.000 2.768 151 D HA 0.555 5.194 4.640 -0.001 0.000 0.327 151 D C -1.758 174.497 176.300 -0.075 0.000 1.302 151 D CA 0.005 53.962 54.000 -0.072 0.000 0.897 151 D CB 1.732 42.503 40.800 -0.048 0.000 1.420 151 D HN 0.196 nan 8.370 nan 0.000 0.494 152 V N 0.546 120.418 119.914 -0.071 0.000 3.256 152 V HA -0.092 4.028 4.120 -0.001 0.000 0.469 152 V C -1.868 174.196 176.094 -0.049 0.000 0.682 152 V CA -0.140 62.132 62.300 -0.047 0.000 2.010 152 V CB -0.008 31.795 31.823 -0.033 0.000 2.471 152 V HN 0.724 nan 8.190 nan 0.000 0.498 153 P HA 0.055 nan 4.420 nan 0.000 0.213 153 P C 1.409 178.722 177.300 0.021 0.000 1.156 153 P CA 1.409 64.509 63.100 -0.000 0.000 0.884 153 P CB 0.121 31.826 31.700 0.009 0.000 0.774 154 S N -1.692 114.048 115.700 0.067 0.000 2.559 154 S HA 0.132 4.601 4.470 -0.001 0.000 0.212 154 S C 1.656 176.293 174.600 0.061 0.000 0.994 154 S CA 0.721 58.975 58.200 0.089 0.000 0.903 154 S CB -0.138 63.205 63.200 0.239 0.000 0.861 154 S HN 0.200 nan 8.310 nan 0.000 0.601 155 E N 0.059 120.294 120.200 0.059 0.000 1.637 155 E HA 0.019 4.369 4.350 -0.001 0.000 0.219 155 E C -1.459 175.156 176.600 0.025 0.000 1.053 155 E CA 0.083 56.503 56.400 0.034 0.000 1.275 155 E CB -0.213 29.505 29.700 0.029 0.000 4.322 155 E HN 0.324 nan 8.360 nan 0.000 0.847 156 D N 1.530 121.946 120.400 0.027 0.000 2.198 156 D HA 0.194 4.834 4.640 -0.001 0.000 0.245 156 D C 0.107 176.419 176.300 0.021 0.000 1.079 156 D CA -0.079 53.929 54.000 0.012 0.000 0.854 156 D CB 1.894 42.688 40.800 -0.010 0.000 1.148 156 D HN 0.102 nan 8.370 nan 0.000 0.456 157 D N 1.671 122.080 120.400 0.015 0.000 2.202 157 D HA 0.052 4.691 4.640 -0.001 0.000 0.214 157 D C -1.708 174.597 176.300 0.010 0.000 0.967 157 D CA 0.645 54.650 54.000 0.008 0.000 0.871 157 D CB -0.137 40.666 40.800 0.005 0.000 1.020 157 D HN 0.284 nan 8.370 nan 0.000 0.474 158 P HA 0.324 nan 4.420 nan 0.000 0.325 158 P C -1.157 176.151 177.300 0.014 0.000 1.298 158 P CA -0.357 62.749 63.100 0.010 0.000 0.771 158 P CB 1.204 32.909 31.700 0.008 0.000 1.389 159 T N -1.121 113.440 114.554 0.011 0.000 3.348 159 T HA 0.359 4.708 4.350 -0.001 0.000 0.328 159 T C -1.119 173.585 174.700 0.007 0.000 0.913 159 T CA -0.161 61.946 62.100 0.011 0.000 1.043 159 T CB -0.611 68.265 68.868 0.013 0.000 1.021 159 T HN 0.534 nan 8.240 nan 0.000 0.461 160 Q N 1.146 120.949 119.800 0.006 0.000 0.373 160 Q HA -0.105 4.235 4.340 -0.001 0.000 0.270 160 Q C -1.574 174.431 176.000 0.007 0.000 1.089 160 Q CA 0.293 56.101 55.803 0.007 0.000 0.291 160 Q CB -0.533 28.210 28.738 0.009 0.000 5.548 160 Q HN 0.766 nan 8.270 nan 0.000 0.300 161 L N 0.213 121.441 121.223 0.008 0.000 2.482 161 L HA 0.739 5.078 4.340 -0.001 0.000 0.263 161 L C -0.960 175.916 176.870 0.012 0.000 0.957 161 L CA -0.940 53.903 54.840 0.006 0.000 0.836 161 L CB 2.129 44.187 42.059 -0.003 0.000 1.324 161 L HN 0.437 nan 8.230 nan 0.000 0.406 162 V N -0.677 119.246 119.914 0.016 0.000 2.483 162 V HA 0.869 4.989 4.120 -0.001 0.000 0.297 162 V C -0.093 176.003 176.094 0.004 0.000 1.027 162 V CA -0.481 61.837 62.300 0.029 0.000 0.855 162 V CB 1.417 33.287 31.823 0.078 0.000 0.995 162 V HN 0.782 nan 8.190 nan 0.000 0.424 163 S N 3.946 119.648 115.700 0.003 0.000 2.578 163 S HA 0.944 5.413 4.470 -0.001 0.000 0.301 163 S C -0.044 174.548 174.600 -0.014 0.000 1.091 163 S CA -0.578 57.611 58.200 -0.018 0.000 1.032 163 S CB 3.068 66.259 63.200 -0.014 0.000 1.064 163 S HN 1.035 nan 8.310 nan 0.000 0.508 164 R N 1.295 121.775 120.500 -0.033 0.000 5.266 164 R HA 0.402 4.741 4.340 -0.001 0.000 0.074 164 R C 1.250 177.532 176.300 -0.031 0.000 0.697 164 R CA 1.031 57.117 56.100 -0.023 0.000 1.217 164 R CB -0.663 29.630 30.300 -0.011 0.000 1.389 164 R HN 0.755 nan 8.270 nan 0.000 0.392 165 G N -0.919 107.855 108.800 -0.043 0.000 2.531 165 G HA2 0.497 4.456 3.960 -0.001 0.000 0.210 165 G HA3 0.497 4.456 3.960 -0.001 0.000 0.210 165 G C 0.025 174.893 174.900 -0.053 0.000 1.547 165 G CA 0.265 45.327 45.100 -0.064 0.000 0.740 165 G HN 0.897 nan 8.290 nan 0.000 0.611 166 G N -2.454 106.317 108.800 -0.049 0.000 2.379 166 G HA2 0.351 4.311 3.960 -0.001 0.000 0.609 166 G HA3 0.351 4.311 3.960 -0.001 0.000 0.609 166 G C -0.300 174.579 174.900 -0.035 0.000 1.484 166 G CA 0.184 45.254 45.100 -0.049 0.000 0.921 166 G HN 1.358 nan 8.290 nan 0.000 0.658 167 C N 0.578 119.862 119.300 -0.028 0.000 3.194 167 C HA 0.979 5.438 4.460 -0.001 0.000 0.219 167 C C 1.904 176.883 174.990 -0.018 0.000 2.504 167 C CA 1.946 60.953 59.018 -0.018 0.000 1.304 167 C CB 0.436 28.179 27.740 0.004 0.000 1.270 167 C HN 2.745 nan 8.230 nan 0.000 0.723 168 G N 1.978 110.777 108.800 -0.003 0.000 2.911 168 G HA2 0.084 4.044 3.960 -0.001 0.000 0.103 168 G HA3 0.084 4.044 3.960 -0.001 0.000 0.103 168 G C -0.574 174.339 174.900 0.021 0.000 2.154 168 G CA 0.345 45.443 45.100 -0.003 0.000 1.076 168 G HN 0.960 nan 8.290 nan 0.000 0.296 169 N N 2.056 120.781 118.700 0.043 0.000 2.297 169 N HA 0.411 5.150 4.740 -0.001 0.000 0.232 169 N C 0.478 176.057 175.510 0.114 0.000 1.311 169 N CA 0.836 53.934 53.050 0.080 0.000 0.897 169 N CB -0.304 38.242 38.487 0.099 0.000 1.137 169 N HN 0.794 nan 8.380 nan 0.000 0.449 170 T N -2.929 111.716 114.554 0.152 0.000 2.898 170 T HA 0.172 4.521 4.350 -0.001 0.000 0.301 170 T C 0.123 174.932 174.700 0.181 0.000 1.049 170 T CA -0.617 61.573 62.100 0.150 0.000 1.095 170 T CB 0.336 69.306 68.868 0.170 0.000 0.976 170 T HN 0.495 nan 8.240 nan 0.000 0.539 171 Q N 1.899 121.734 119.800 0.059 0.000 2.230 171 Q HA 0.412 4.752 4.340 -0.001 0.000 0.248 171 Q C -2.381 173.504 176.000 -0.191 0.000 0.915 171 Q CA -2.081 53.717 55.803 -0.009 0.000 0.900 171 Q CB 0.911 29.624 28.738 -0.043 0.000 1.229 171 Q HN 0.518 nan 8.270 nan 0.000 0.439 172 P HA 0.074 nan 4.420 nan 0.000 0.278 172 P C -1.005 176.023 177.300 -0.454 0.000 1.238 172 P CA -0.441 62.185 63.100 -0.791 0.000 0.794 172 P CB 0.658 31.792 31.700 -0.942 0.000 0.955 173 T N 3.183 117.471 114.554 -0.444 0.000 2.848 173 T HA 0.267 4.616 4.350 -0.001 0.000 0.283 173 T C 0.622 175.197 174.700 -0.209 0.000 0.919 173 T CA -0.028 61.921 62.100 -0.251 0.000 1.071 173 T CB -1.044 67.710 68.868 -0.191 0.000 0.912 173 T HN 0.204 nan 8.240 nan 0.000 0.570 174 I N 3.490 123.976 120.570 -0.141 0.000 2.416 174 I HA 0.375 4.545 4.170 -0.001 0.000 0.288 174 I C 0.746 176.845 176.117 -0.031 0.000 1.051 174 I CA -0.299 60.952 61.300 -0.083 0.000 1.375 174 I CB 0.641 38.620 38.000 -0.034 0.000 1.407 174 I HN 0.334 nan 8.210 nan 0.000 0.516 175 R N 5.612 126.095 120.500 -0.029 0.000 2.686 175 R HA 0.367 4.706 4.340 -0.001 0.000 0.286 175 R C -0.719 175.578 176.300 -0.006 0.000 0.969 175 R CA -0.956 55.140 56.100 -0.006 0.000 0.898 175 R CB 1.702 31.994 30.300 -0.012 0.000 1.183 175 R HN 0.509 nan 8.270 nan 0.000 0.456 176 K N 2.269 122.670 120.400 0.002 0.000 2.368 176 K HA 0.021 4.340 4.320 -0.001 0.000 0.282 176 K C -1.267 175.331 176.600 -0.005 0.000 1.035 176 K CA 0.231 56.511 56.287 -0.011 0.000 0.973 176 K CB 0.631 33.128 32.500 -0.006 0.000 0.957 176 K HN 0.454 nan 8.250 nan 0.000 0.474 177 D N 3.125 123.519 120.400 -0.009 0.000 2.386 177 D HA 0.297 4.937 4.640 -0.001 0.000 0.247 177 D C 0.515 176.826 176.300 0.018 0.000 1.336 177 D CA 0.769 54.775 54.000 0.010 0.000 0.976 177 D CB 0.985 41.796 40.800 0.019 0.000 1.257 177 D HN 0.743 nan 8.370 nan 0.000 0.570 178 G N 2.984 111.800 108.800 0.027 0.000 4.862 178 G HA2 -0.349 3.610 3.960 -0.001 0.000 0.344 178 G HA3 -0.349 3.610 3.960 -0.001 0.000 0.344 178 G C 0.803 175.727 174.900 0.041 0.000 1.365 178 G CA 0.987 46.118 45.100 0.051 0.000 1.066 178 G HN 0.552 nan 8.290 nan 0.000 0.808 179 L N -0.341 120.912 121.223 0.051 0.000 3.227 179 L HA 0.436 4.776 4.340 -0.001 0.000 0.287 179 L C 0.952 177.805 176.870 -0.028 0.000 1.161 179 L CA 0.008 54.876 54.840 0.046 0.000 1.048 179 L CB 0.753 42.901 42.059 0.149 0.000 1.541 179 L HN 0.208 nan 8.230 nan 0.000 0.590 180 K N 0.497 120.896 120.400 -0.002 0.000 2.280 180 K HA 0.727 5.046 4.320 -0.001 0.000 0.234 180 K C -1.124 175.426 176.600 -0.083 0.000 1.028 180 K CA -0.659 55.611 56.287 -0.030 0.000 0.882 180 K CB 2.239 34.842 32.500 0.171 0.000 1.194 180 K HN -0.146 nan 8.250 nan 0.000 0.458 181 L N 1.534 122.720 121.223 -0.062 0.000 2.313 181 L HA 0.450 4.789 4.340 -0.001 0.000 0.283 181 L C -1.004 175.878 176.870 0.021 0.000 1.013 181 L CA -1.048 53.767 54.840 -0.041 0.000 0.816 181 L CB 1.768 43.787 42.059 -0.066 0.000 1.236 181 L HN 0.220 nan 8.230 nan 0.000 0.419 182 V N 2.103 122.020 119.914 0.005 0.000 2.435 182 V HA 0.722 4.842 4.120 -0.001 0.000 0.290 182 V C 0.504 176.566 176.094 -0.054 0.000 1.030 182 V CA -0.428 61.879 62.300 0.012 0.000 0.881 182 V CB 1.578 33.413 31.823 0.021 0.000 0.983 182 V HN 0.856 nan 8.190 nan 0.000 0.445 183 G N 2.158 110.897 108.800 -0.102 0.000 2.453 183 G HA2 0.618 4.577 3.960 -0.001 0.000 0.323 183 G HA3 0.618 4.577 3.960 -0.001 0.000 0.323 183 G C -0.987 173.577 174.900 -0.559 0.000 1.198 183 G CA -0.488 44.385 45.100 -0.378 0.000 0.959 183 G HN 0.657 nan 8.290 nan 0.000 0.482 184 S N -0.052 115.222 115.700 -0.710 0.000 2.526 184 S HA 0.687 5.156 4.470 -0.001 0.000 0.293 184 S C -1.415 172.844 174.600 -0.569 0.000 1.092 184 S CA -0.705 57.243 58.200 -0.419 0.000 0.980 184 S CB 0.881 63.982 63.200 -0.166 0.000 1.048 184 S HN 0.503 nan 8.310 nan 0.000 0.483 185 W N 4.633 125.938 121.300 0.008 0.000 2.413 185 W HA 0.351 5.011 4.660 -0.001 0.000 0.308 185 W C 0.074 176.595 176.519 0.004 0.000 0.997 185 W CA -0.812 56.536 57.345 0.006 0.000 1.447 185 W CB 1.083 30.549 29.460 0.010 0.000 1.263 185 W HN 0.456 nan 8.180 nan 0.000 0.416 186 K N 2.237 122.717 120.400 0.133 0.000 2.994 186 K HA 0.066 4.386 4.320 -0.001 0.000 0.231 186 K C 0.305 176.948 176.600 0.071 0.000 1.174 186 K CA -0.018 56.318 56.287 0.082 0.000 1.221 186 K CB 0.187 32.705 32.500 0.031 0.000 1.166 186 K HN 0.275 nan 8.250 nan 0.000 0.453 187 K N 2.801 123.257 120.400 0.093 0.000 2.847 187 K HA 0.026 4.345 4.320 -0.001 0.000 0.213 187 K C -0.632 176.002 176.600 0.056 0.000 1.174 187 K CA -0.245 56.080 56.287 0.063 0.000 1.095 187 K CB 0.204 32.740 32.500 0.061 0.000 1.581 187 K HN 0.195 nan 8.250 nan 0.000 0.514 188 D N 0.521 120.951 120.400 0.051 0.000 2.268 188 D HA 0.234 4.874 4.640 -0.001 0.000 0.249 188 D C -0.112 176.204 176.300 0.027 0.000 1.008 188 D CA -0.537 53.489 54.000 0.042 0.000 0.939 188 D CB 1.919 42.750 40.800 0.051 0.000 1.170 188 D HN 0.164 nan 8.370 nan 0.000 0.468 189 R N -0.100 120.412 120.500 0.020 0.000 3.149 189 R HA 0.696 5.035 4.340 -0.001 0.000 0.213 189 R C -0.578 175.729 176.300 0.012 0.000 1.639 189 R CA -0.795 55.313 56.100 0.014 0.000 0.930 189 R CB 0.768 31.073 30.300 0.009 0.000 2.313 189 R HN 0.577 nan 8.270 nan 0.000 0.533 190 A N 0.864 123.689 122.820 0.008 0.000 2.301 190 A HA 0.450 4.770 4.320 -0.001 0.000 0.298 190 A C -0.325 177.263 177.584 0.006 0.000 1.185 190 A CA 0.335 52.376 52.037 0.007 0.000 0.830 190 A CB 0.053 19.056 19.000 0.005 0.000 1.112 190 A HN 0.877 nan 8.150 nan 0.000 0.508 199 L N 0.661 122.050 121.223 0.276 0.000 2.586 199 L HA -0.148 4.191 4.340 -0.001 0.000 0.690 199 L C 0.007 177.034 176.870 0.260 0.000 1.053 199 L CA 0.205 55.184 54.840 0.231 0.000 1.383 199 L CB -0.960 41.170 42.059 0.119 0.000 2.057 199 L HN 0.392 nan 8.230 nan 0.000 0.951 200 R N 2.490 123.255 120.500 0.441 0.000 2.295 200 R HA 0.651 4.990 4.340 -0.001 0.000 0.324 200 R C -0.259 176.207 176.300 0.277 0.000 0.968 200 R CA -0.726 55.571 56.100 0.328 0.000 0.837 200 R CB 1.465 31.939 30.300 0.291 0.000 1.133 200 R HN 0.217 nan 8.270 nan 0.000 0.450 201 V N 5.982 126.006 119.914 0.184 0.000 2.585 201 V HA 0.030 4.149 4.120 -0.001 0.000 0.296 201 V C 0.334 176.531 176.094 0.171 0.000 1.035 201 V CA -0.144 62.250 62.300 0.156 0.000 1.084 201 V CB 0.631 32.535 31.823 0.135 0.000 0.953 201 V HN 0.618 nan 8.190 nan 0.000 0.483 202 L N 5.148 126.472 121.223 0.169 0.000 2.295 202 L HA 0.270 4.609 4.340 -0.001 0.000 0.288 202 L C 0.760 177.764 176.870 0.223 0.000 1.079 202 L CA 0.954 55.902 54.840 0.181 0.000 0.830 202 L CB 1.095 43.249 42.059 0.159 0.000 1.200 202 L HN 0.764 nan 8.230 nan 0.000 0.438 203 S N 1.519 117.326 115.700 0.178 0.000 2.584 203 S HA 0.082 4.552 4.470 -0.001 0.000 0.270 203 S C 1.441 176.139 174.600 0.163 0.000 1.346 203 S CA -0.114 58.181 58.200 0.158 0.000 1.018 203 S CB 0.769 64.023 63.200 0.089 0.000 0.899 203 S HN 0.775 nan 8.310 nan 0.000 0.542 204 T N 3.485 118.057 114.554 0.030 0.000 2.701 204 T HA -0.085 4.264 4.350 -0.001 0.000 0.263 204 T C 1.589 176.251 174.700 -0.063 0.000 1.040 204 T CA 1.536 63.510 62.100 -0.210 0.000 1.147 204 T CB -0.463 68.044 68.868 -0.601 0.000 0.865 204 T HN 0.742 nan 8.240 nan 0.000 0.426 205 E N 0.828 121.006 120.200 -0.037 0.000 2.118 205 E HA -0.190 4.160 4.350 -0.001 0.000 0.195 205 E C 2.328 178.948 176.600 0.033 0.000 0.992 205 E CA 0.974 57.373 56.400 -0.001 0.000 0.804 205 E CB -0.117 29.582 29.700 -0.002 0.000 0.741 205 E HN 0.606 nan 8.360 nan 0.000 0.458 206 E N 0.844 121.071 120.200 0.045 0.000 2.051 206 E HA -0.192 4.157 4.350 -0.001 0.000 0.192 206 E C 2.067 178.695 176.600 0.047 0.000 0.991 206 E CA 0.902 57.330 56.400 0.046 0.000 0.799 206 E CB -0.009 29.724 29.700 0.055 0.000 0.748 206 E HN 0.244 nan 8.360 nan 0.000 0.449 207 I N 0.968 121.596 120.570 0.095 0.000 2.546 207 I HA -0.206 3.963 4.170 -0.001 0.000 0.255 207 I C 2.502 178.714 176.117 0.159 0.000 1.163 207 I CA 0.177 61.551 61.300 0.123 0.000 1.457 207 I CB -0.172 38.005 38.000 0.295 0.000 1.092 207 I HN 0.226 nan 8.210 nan 0.000 0.434 208 L N 1.459 122.778 121.223 0.160 0.000 1.976 208 L HA -0.232 4.108 4.340 -0.001 0.000 0.209 208 L C 2.166 179.119 176.870 0.138 0.000 1.071 208 L CA 2.112 57.060 54.840 0.180 0.000 0.746 208 L CB -0.910 41.212 42.059 0.106 0.000 0.890 208 L HN 0.167 nan 8.230 nan 0.000 0.432 209 N N -0.505 118.245 118.700 0.084 0.000 2.348 209 N HA -0.204 4.536 4.740 -0.001 0.000 0.185 209 N C 1.620 177.192 175.510 0.104 0.000 1.019 209 N CA 1.521 54.623 53.050 0.086 0.000 0.880 209 N CB -0.176 38.358 38.487 0.080 0.000 0.965 209 N HN 0.421 nan 8.380 nan 0.000 0.437 210 I N -0.330 120.235 120.570 -0.009 0.000 2.163 210 I HA -0.196 3.973 4.170 -0.001 0.000 0.240 210 I C 1.482 177.519 176.117 -0.132 0.000 1.081 210 I CA 1.153 62.363 61.300 -0.150 0.000 1.353 210 I CB -1.523 36.238 38.000 -0.398 0.000 1.054 210 I HN 0.066 nan 8.210 nan 0.000 0.407 211 F N 1.315 121.292 119.950 0.045 0.000 2.325 211 F HA -0.038 4.489 4.527 -0.001 0.000 0.299 211 F C 2.388 178.189 175.800 0.002 0.000 1.090 211 F CA 0.775 58.780 58.000 0.009 0.000 1.392 211 F CB -0.779 38.211 39.000 -0.016 0.000 1.053 211 F HN 0.046 nan 8.300 nan 0.000 0.521 212 K N -0.802 119.689 120.400 0.151 0.000 2.281 212 K HA -0.151 4.169 4.320 -0.001 0.000 0.203 212 K C 1.455 178.002 176.600 -0.087 0.000 1.046 212 K CA 0.900 57.194 56.287 0.013 0.000 0.938 212 K CB -0.104 32.372 32.500 -0.041 0.000 0.737 212 K HN 0.371 nan 8.250 nan 0.000 0.458 213 H N -0.067 119.025 119.070 0.038 0.000 3.676 213 H HA 0.125 4.681 4.556 -0.001 0.000 0.169 213 H C 0.609 175.921 175.328 -0.027 0.000 1.513 213 H CA 0.273 56.324 56.048 0.006 0.000 1.693 213 H CB 0.222 29.970 29.762 -0.023 0.000 1.222 213 H HN -0.167 nan 8.280 nan 0.000 0.628 214 I N 0.573 121.181 120.570 0.064 0.000 8.975 214 I HA -0.237 3.932 4.170 -0.001 0.000 0.126 214 I C 0.639 176.561 176.117 -0.326 0.000 1.857 214 I CA 0.006 61.211 61.300 -0.159 0.000 2.051 214 I CB -1.505 36.359 38.000 -0.226 0.000 3.917 214 I HN 0.435 nan 8.210 nan 0.000 0.173 215 S N 3.782 119.288 115.700 -0.322 0.000 2.572 215 S HA 0.389 4.859 4.470 -0.001 0.000 0.279 215 S C 1.364 175.684 174.600 -0.466 0.000 1.341 215 S CA -0.112 57.923 58.200 -0.273 0.000 1.043 215 S CB 1.332 64.440 63.200 -0.153 0.000 0.887 215 S HN 0.399 nan 8.310 nan 0.000 0.516 216 V N 5.347 125.147 119.914 -0.190 0.000 2.332 216 V HA -0.136 3.984 4.120 -0.001 0.000 0.248 216 V C 2.449 178.558 176.094 0.025 0.000 1.055 216 V CA 2.137 64.444 62.300 0.012 0.000 1.038 216 V CB -0.772 31.122 31.823 0.118 0.000 0.651 216 V HN 0.923 nan 8.190 nan 0.000 0.450 217 K N -0.326 120.060 120.400 -0.023 0.000 2.504 217 K HA -0.134 4.186 4.320 -0.001 0.000 0.195 217 K C 1.305 177.893 176.600 -0.020 0.000 1.036 217 K CA 0.873 57.169 56.287 0.015 0.000 0.984 217 K CB -0.059 32.449 32.500 0.014 0.000 0.788 217 K HN 0.460 nan 8.250 nan 0.000 0.488 218 D N -0.408 119.893 120.400 -0.164 0.000 2.323 218 D HA -0.047 4.593 4.640 -0.001 0.000 0.209 218 D C 1.144 177.366 176.300 -0.130 0.000 0.973 218 D CA 0.583 54.476 54.000 -0.178 0.000 0.874 218 D CB 0.072 40.707 40.800 -0.276 0.000 0.930 218 D HN 0.095 nan 8.370 nan 0.000 0.521 219 F N 1.298 121.272 119.950 0.039 0.000 2.022 219 F HA -0.088 4.438 4.527 -0.001 0.000 0.293 219 F C 2.585 178.513 175.800 0.213 0.000 1.142 219 F CA 1.044 59.081 58.000 0.062 0.000 1.177 219 F CB -1.357 37.662 39.000 0.032 0.000 0.982 219 F HN -0.140 nan 8.300 nan 0.000 0.473 220 T N 0.039 114.827 114.554 0.390 0.000 2.946 220 T HA -0.171 4.179 4.350 -0.001 0.000 0.271 220 T C 2.136 176.974 174.700 0.230 0.000 1.104 220 T CA 1.274 63.544 62.100 0.283 0.000 1.114 220 T CB -0.736 68.256 68.868 0.207 0.000 0.867 220 T HN 0.373 nan 8.240 nan 0.000 0.513 221 S N 2.587 118.411 115.700 0.207 0.000 2.368 221 S HA -0.087 4.382 4.470 -0.001 0.000 0.225 221 S C 1.366 176.102 174.600 0.227 0.000 1.030 221 S CA 0.838 59.140 58.200 0.170 0.000 0.999 221 S CB -0.611 62.660 63.200 0.119 0.000 0.844 221 S HN 0.539 nan 8.310 nan 0.000 0.459 222 L N -0.370 121.057 121.223 0.340 0.000 3.094 222 L HA 0.752 5.091 4.340 -0.001 0.000 0.254 222 L C 0.743 177.931 176.870 0.531 0.000 1.298 222 L CA -0.023 55.114 54.840 0.494 0.000 1.050 222 L CB -0.337 42.052 42.059 0.549 0.000 1.420 222 L HN 0.297 nan 8.230 nan 0.000 0.548 223 G N -0.528 108.450 108.800 0.297 0.000 2.473 223 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.289 223 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.289 223 G C -0.505 174.249 174.900 -0.243 0.000 1.084 223 G CA -0.103 45.010 45.100 0.022 0.000 1.215 223 G HN 0.243 nan 8.290 nan 0.000 0.527 224 F N -0.529 119.485 119.950 0.106 0.000 2.685 224 F HA 0.682 5.209 4.527 -0.001 0.000 0.315 224 F C 0.108 175.949 175.800 0.067 0.000 1.126 224 F CA -1.106 56.936 58.000 0.070 0.000 0.950 224 F CB 2.134 41.191 39.000 0.096 0.000 1.360 224 F HN 0.232 nan 8.300 nan 0.000 0.469 225 N N 0.061 118.891 118.700 0.217 0.000 2.240 225 N HA 0.240 4.979 4.740 -0.001 0.000 0.302 225 N C 0.303 175.778 175.510 -0.058 0.000 1.106 225 N CA -0.455 52.672 53.050 0.129 0.000 0.778 225 N CB 2.096 40.719 38.487 0.227 0.000 1.431 225 N HN 0.735 nan 8.380 nan 0.000 0.479 226 E N 1.071 121.235 120.200 -0.059 0.000 2.031 226 E HA -0.158 4.191 4.350 -0.001 0.000 0.193 226 E C 0.867 177.360 176.600 -0.178 0.000 0.994 226 E CA 1.623 57.923 56.400 -0.167 0.000 0.800 226 E CB 0.189 29.865 29.700 -0.039 0.000 0.752 226 E HN 0.479 nan 8.360 nan 0.000 0.447 227 V N -0.367 119.463 119.914 -0.140 0.000 2.685 227 V HA -0.053 4.067 4.120 -0.001 0.000 0.244 227 V C 1.818 177.889 176.094 -0.039 0.000 1.054 227 V CA 0.914 63.112 62.300 -0.170 0.000 1.076 227 V CB -0.472 31.103 31.823 -0.413 0.000 0.725 227 V HN 0.181 nan 8.190 nan 0.000 0.467 228 F N 1.668 121.695 119.950 0.128 0.000 2.147 228 F HA 0.171 4.697 4.527 -0.001 0.000 0.291 228 F C 1.320 177.278 175.800 0.264 0.000 1.093 228 F CA 0.838 58.921 58.000 0.138 0.000 1.263 228 F CB -0.226 38.808 39.000 0.057 0.000 1.036 228 F HN 0.244 nan 8.300 nan 0.000 0.481 229 S N -0.045 115.888 115.700 0.389 0.000 2.736 229 S HA 0.706 5.175 4.470 -0.001 0.000 0.285 229 S C -0.794 173.862 174.600 0.094 0.000 1.163 229 S CA -0.921 57.477 58.200 0.330 0.000 1.025 229 S CB 1.937 65.279 63.200 0.238 0.000 1.030 229 S HN 0.125 nan 8.310 nan 0.000 0.486 230 R N 2.428 122.770 120.500 -0.263 0.000 2.670 230 R HA 0.509 4.848 4.340 -0.001 0.000 0.289 230 R C -2.321 173.654 176.300 -0.541 0.000 0.965 230 R CA -2.438 53.208 56.100 -0.758 0.000 0.899 230 R CB 1.523 30.878 30.300 -1.575 0.000 1.173 230 R HN 0.302 nan 8.270 nan 0.000 0.456 231 P HA -0.196 nan 4.420 nan 0.000 0.222 231 P C 0.411 177.420 177.300 -0.485 0.000 1.147 231 P CA 1.058 63.767 63.100 -0.652 0.000 0.790 231 P CB 0.203 31.329 31.700 -0.957 0.000 0.780 232 E N -1.630 118.368 120.200 -0.336 0.000 2.268 232 E HA -0.159 4.190 4.350 -0.001 0.000 0.195 232 E C 0.976 177.591 176.600 0.025 0.000 0.995 232 E CA 0.748 57.074 56.400 -0.122 0.000 0.836 232 E CB -0.788 28.828 29.700 -0.140 0.000 0.763 232 E HN 0.296 nan 8.360 nan 0.000 0.491 233 W N 0.497 121.747 121.300 -0.083 0.000 3.077 233 W HA 0.334 4.993 4.660 -0.001 0.000 0.266 233 W C 1.783 178.239 176.519 -0.105 0.000 1.300 233 W CA -0.513 56.802 57.345 -0.051 0.000 1.586 233 W CB -0.366 29.076 29.460 -0.030 0.000 1.103 233 W HN 0.117 nan 8.180 nan 0.000 0.652 234 M N 0.273 119.841 119.600 -0.053 0.000 2.549 234 M HA -0.020 4.459 4.480 -0.001 0.000 0.260 234 M C -0.406 175.838 176.300 -0.093 0.000 1.076 234 M CA 1.158 56.264 55.300 -0.323 0.000 1.090 234 M CB 0.013 32.291 32.600 -0.537 0.000 1.418 234 M HN -0.329 nan 8.290 nan 0.000 0.486 235 I N 0.534 121.135 120.570 0.051 0.000 2.441 235 I HA 0.218 4.388 4.170 -0.001 0.000 0.295 235 I C -0.565 175.642 176.117 0.151 0.000 0.994 235 I CA -0.421 60.964 61.300 0.142 0.000 1.144 235 I CB 1.691 39.772 38.000 0.135 0.000 1.314 235 I HN -0.023 nan 8.210 nan 0.000 0.445 236 L N 6.209 127.524 121.223 0.154 0.000 2.407 236 L HA 0.176 4.515 4.340 -0.001 0.000 0.282 236 L C 0.998 177.911 176.870 0.072 0.000 1.110 236 L CA 0.025 54.945 54.840 0.134 0.000 0.863 236 L CB 0.072 42.206 42.059 0.126 0.000 1.207 236 L HN 0.789 nan 8.230 nan 0.000 0.454 237 T N 0.006 114.608 114.554 0.081 0.000 2.937 237 T HA -0.005 4.345 4.350 -0.001 0.000 0.260 237 T C 0.516 175.239 174.700 0.039 0.000 1.051 237 T CA 0.341 62.476 62.100 0.057 0.000 1.141 237 T CB -0.003 68.911 68.868 0.075 0.000 0.879 237 T HN 0.764 nan 8.240 nan 0.000 0.459 238 C N 1.604 120.927 119.300 0.039 0.000 3.046 238 C HA 0.788 5.248 4.460 -0.001 0.000 0.388 238 C C -1.202 173.799 174.990 0.020 0.000 1.041 238 C CA -2.254 56.782 59.018 0.031 0.000 1.241 238 C CB 0.066 27.841 27.740 0.059 0.000 1.638 238 C HN 0.460 nan 8.230 nan 0.000 0.539 239 L N 1.262 122.492 121.223 0.010 0.000 2.344 239 L HA 1.026 5.365 4.340 -0.001 0.000 0.272 239 L C -2.434 174.438 176.870 0.003 0.000 1.035 239 L CA -1.851 52.996 54.840 0.012 0.000 0.807 239 L CB 0.105 42.171 42.059 0.012 0.000 1.237 239 L HN 0.574 nan 8.230 nan 0.000 0.442 240 P HA 0.229 nan 4.420 nan 0.000 0.277 240 P C -1.030 176.369 177.300 0.165 0.000 1.240 240 P CA -0.366 62.758 63.100 0.040 0.000 0.798 240 P CB 1.490 33.129 31.700 -0.101 0.000 0.979 241 V N 3.285 123.320 119.914 0.200 0.000 2.328 241 V HA 0.264 4.384 4.120 -0.001 0.000 0.278 241 V C -1.954 174.235 176.094 0.157 0.000 1.021 241 V CA -2.218 60.170 62.300 0.146 0.000 0.838 241 V CB 0.822 32.672 31.823 0.046 0.000 0.999 241 V HN 0.544 nan 8.190 nan 0.000 0.447 242 P HA 0.211 nan 4.420 nan 0.000 0.268 242 P C -2.619 174.528 177.300 -0.255 0.000 1.205 242 P CA -1.072 61.900 63.100 -0.212 0.000 0.771 242 P CB 0.234 31.941 31.700 0.012 0.000 0.858 243 P HA 0.257 nan 4.420 nan 0.000 0.279 243 P C -2.121 175.065 177.300 -0.190 0.000 1.252 243 P CA -2.130 60.801 63.100 -0.281 0.000 0.811 243 P CB -0.157 31.322 31.700 -0.369 0.000 1.035 244 P HA -0.183 nan 4.420 nan 0.000 0.218 244 P C -1.219 176.028 177.300 -0.088 0.000 1.165 244 P CA 2.772 65.818 63.100 -0.090 0.000 0.922 244 P CB -2.074 29.580 31.700 -0.076 0.000 0.794 245 P HA -0.134 nan 4.420 nan 0.000 0.222 245 P C 1.153 178.409 177.300 -0.073 0.000 1.139 245 P CA 1.112 64.159 63.100 -0.088 0.000 0.790 245 P CB -0.463 31.172 31.700 -0.108 0.000 0.757 246 V N -1.043 118.818 119.914 -0.087 0.000 3.052 246 V HA -0.015 4.104 4.120 -0.001 0.000 0.254 246 V C 1.149 177.229 176.094 -0.024 0.000 1.100 246 V CA 1.016 63.284 62.300 -0.054 0.000 1.112 246 V CB -0.716 31.067 31.823 -0.067 0.000 0.738 246 V HN 0.265 nan 8.190 nan 0.000 0.469 247 R N -1.059 119.426 120.500 -0.024 0.000 2.797 247 R HA 0.376 4.715 4.340 -0.001 0.000 0.230 247 R C -3.133 173.167 176.300 0.002 0.000 1.591 247 R CA -1.079 55.022 56.100 0.002 0.000 1.501 247 R CB -0.003 30.310 30.300 0.022 0.000 1.524 247 R HN 0.147 nan 8.270 nan 0.000 0.711 248 P HA 0.215 nan 4.420 nan 0.000 0.339 248 P C -0.142 177.172 177.300 0.024 0.000 1.413 248 P CA -0.025 63.075 63.100 0.000 0.000 0.833 248 P CB 0.436 32.133 31.700 -0.005 0.000 2.004 249 S N -2.500 113.218 115.700 0.029 0.000 2.764 249 S HA 0.426 4.895 4.470 -0.001 0.000 0.289 249 S C -0.681 173.947 174.600 0.046 0.000 1.235 249 S CA -0.501 57.728 58.200 0.049 0.000 1.081 249 S CB -0.728 62.491 63.200 0.032 0.000 1.319 249 S HN 0.652 nan 8.310 nan 0.000 0.492 250 I N -2.046 118.557 120.570 0.055 0.000 5.961 250 I HA -0.079 4.090 4.170 -0.001 0.000 0.126 250 I C 0.148 176.304 176.117 0.065 0.000 1.317 250 I CA 0.639 61.973 61.300 0.056 0.000 2.555 250 I CB -1.485 36.526 38.000 0.018 0.000 2.414 250 I HN 1.078 nan 8.210 nan 0.000 0.302 251 S N 3.038 118.779 115.700 0.068 0.000 5.768 251 S HA 0.313 4.782 4.470 -0.001 0.000 0.129 251 S C -0.022 174.437 174.600 -0.235 0.000 1.124 251 S CA 0.024 58.158 58.200 -0.111 0.000 1.411 251 S CB -0.369 62.706 63.200 -0.209 0.000 1.995 251 S HN 0.687 nan 8.310 nan 0.000 0.565 252 F N 4.875 124.832 119.950 0.012 0.000 2.628 252 F HA 0.362 4.889 4.527 -0.000 0.000 0.362 252 F C 0.776 176.586 175.800 0.016 0.000 1.148 252 F CA 0.691 58.698 58.000 0.013 0.000 1.352 252 F CB 0.112 39.121 39.000 0.015 0.000 1.081 252 F HN 0.495 nan 8.300 nan 0.000 0.605 253 N N 0.184 118.998 118.700 0.190 0.000 6.319 253 N HA 0.040 4.780 4.740 -0.001 0.000 0.120 253 N C -2.039 173.515 175.510 0.073 0.000 0.961 253 N CA -0.755 52.349 53.050 0.090 0.000 1.228 253 N CB 1.136 39.646 38.487 0.037 0.000 1.394 253 N HN 0.614 nan 8.380 nan 0.000 1.112 254 E N 1.901 122.129 120.200 0.046 0.000 2.346 254 E HA 0.423 4.772 4.350 -0.001 0.000 0.239 254 E C -1.435 175.183 176.600 0.030 0.000 0.943 254 E CA -0.316 56.103 56.400 0.032 0.000 0.751 254 E CB 0.629 30.338 29.700 0.016 0.000 1.241 254 E HN 0.606 nan 8.360 nan 0.000 0.423 255 S N 2.721 118.444 115.700 0.038 0.000 2.570 255 S HA 0.591 5.060 4.470 -0.001 0.000 0.286 255 S C -0.226 174.404 174.600 0.050 0.000 1.099 255 S CA -0.744 57.491 58.200 0.059 0.000 0.913 255 S CB 1.622 64.878 63.200 0.093 0.000 1.085 255 S HN 0.406 nan 8.310 nan 0.000 0.480 256 Q N -0.500 119.333 119.800 0.054 0.000 2.433 256 Q HA -0.117 4.223 4.340 -0.001 0.000 0.281 256 Q C 0.212 176.270 176.000 0.096 0.000 1.201 256 Q CA 0.477 56.317 55.803 0.061 0.000 0.824 256 Q CB -1.298 27.472 28.738 0.054 0.000 1.193 256 Q HN 0.843 nan 8.270 nan 0.000 0.455 257 R N -0.956 119.606 120.500 0.103 0.000 2.513 257 R HA 0.279 4.618 4.340 -0.001 0.000 0.245 257 R C 0.561 176.936 176.300 0.124 0.000 0.908 257 R CA 0.265 56.420 56.100 0.092 0.000 1.023 257 R CB 1.099 31.443 30.300 0.074 0.000 1.338 257 R HN 0.263 nan 8.270 nan 0.000 0.575 258 G N 2.500 111.410 108.800 0.184 0.000 2.415 258 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.189 258 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.189 258 G C -0.541 174.467 174.900 0.180 0.000 0.317 258 G CA 0.283 45.531 45.100 0.246 0.000 0.991 258 G HN 0.203 nan 8.290 nan 0.000 0.415 259 E N 1.253 121.585 120.200 0.221 0.000 2.390 259 E HA 0.225 4.574 4.350 -0.001 0.000 0.277 259 E C -0.330 176.425 176.600 0.258 0.000 0.939 259 E CA -0.912 55.604 56.400 0.194 0.000 0.769 259 E CB 2.120 31.901 29.700 0.134 0.000 1.251 259 E HN 0.501 nan 8.360 nan 0.000 0.450 260 D N 0.307 120.815 120.400 0.179 0.000 2.380 260 D HA 0.015 4.654 4.640 -0.001 0.000 0.254 260 D C 0.040 176.498 176.300 0.263 0.000 1.288 260 D CA 0.102 54.204 54.000 0.171 0.000 1.008 260 D CB 0.909 41.769 40.800 0.100 0.000 1.099 260 D HN 0.292 nan 8.370 nan 0.000 0.537 261 D N -0.048 120.463 120.400 0.186 0.000 2.346 261 D HA 0.064 4.704 4.640 -0.001 0.000 0.206 261 D C 1.744 178.162 176.300 0.197 0.000 1.001 261 D CA 0.229 54.344 54.000 0.191 0.000 0.871 261 D CB 0.319 41.175 40.800 0.093 0.000 0.943 261 D HN 0.261 nan 8.370 nan 0.000 0.518 262 L N 0.332 121.649 121.223 0.157 0.000 2.209 262 L HA -0.038 4.302 4.340 -0.001 0.000 0.207 262 L C 2.095 179.063 176.870 0.164 0.000 1.094 262 L CA 0.816 55.757 54.840 0.167 0.000 0.790 262 L CB -0.234 41.905 42.059 0.133 0.000 0.932 262 L HN -0.039 nan 8.230 nan 0.000 0.447 263 T N -0.253 114.365 114.554 0.106 0.000 2.803 263 T HA -0.172 4.177 4.350 -0.001 0.000 0.269 263 T C 1.545 176.187 174.700 -0.097 0.000 1.052 263 T CA 1.442 63.530 62.100 -0.020 0.000 1.136 263 T CB -0.291 68.516 68.868 -0.102 0.000 0.864 263 T HN 0.121 nan 8.240 nan 0.000 0.467 264 F N 1.093 121.054 119.950 0.019 0.000 2.187 264 F HA 0.169 4.696 4.527 -0.001 0.000 0.295 264 F C 2.422 178.210 175.800 -0.020 0.000 1.091 264 F CA 0.794 58.793 58.000 -0.002 0.000 1.308 264 F CB -0.122 38.877 39.000 -0.002 0.000 1.030 264 F HN -0.031 nan 8.300 nan 0.000 0.487 265 K N 0.044 120.555 120.400 0.185 0.000 2.365 265 K HA -0.033 4.286 4.320 -0.001 0.000 0.199 265 K C 1.809 178.413 176.600 0.006 0.000 1.045 265 K CA 0.526 56.870 56.287 0.094 0.000 0.962 265 K CB -0.125 32.496 32.500 0.202 0.000 0.759 265 K HN 0.264 nan 8.250 nan 0.000 0.469 266 L N -0.260 120.968 121.223 0.008 0.000 2.240 266 L HA -0.058 4.281 4.340 -0.001 0.000 0.211 266 L C 2.227 179.036 176.870 -0.101 0.000 1.106 266 L CA 0.672 55.456 54.840 -0.093 0.000 0.793 266 L CB -0.146 41.882 42.059 -0.051 0.000 0.927 266 L HN 0.133 nan 8.230 nan 0.000 0.446 267 A N -0.585 122.185 122.820 -0.083 0.000 1.897 267 A HA -0.180 4.139 4.320 -0.001 0.000 0.215 267 A C 1.926 179.461 177.584 -0.081 0.000 1.181 267 A CA 1.487 53.475 52.037 -0.082 0.000 0.620 267 A CB -0.385 18.558 19.000 -0.096 0.000 0.821 267 A HN 0.276 nan 8.150 nan 0.000 0.443 268 D N -0.020 120.304 120.400 -0.125 0.000 2.182 268 D HA -0.110 4.529 4.640 -0.001 0.000 0.201 268 D C 1.733 177.891 176.300 -0.238 0.000 0.986 268 D CA 1.068 54.893 54.000 -0.291 0.000 0.847 268 D CB -0.158 40.271 40.800 -0.619 0.000 0.942 268 D HN 0.541 nan 8.370 nan 0.000 0.467 269 I N -0.104 120.378 120.570 -0.146 0.000 2.400 269 I HA -0.123 4.047 4.170 -0.001 0.000 0.248 269 I C 2.433 178.527 176.117 -0.037 0.000 1.109 269 I CA 0.206 61.479 61.300 -0.046 0.000 1.425 269 I CB 0.086 38.020 38.000 -0.110 0.000 1.094 269 I HN -0.056 nan 8.210 nan 0.000 0.425 270 L N 0.811 121.993 121.223 -0.068 0.000 2.042 270 L HA -0.248 4.091 4.340 -0.001 0.000 0.210 270 L C 2.504 179.353 176.870 -0.034 0.000 1.076 270 L CA 1.723 56.526 54.840 -0.061 0.000 0.749 270 L CB -0.224 41.794 42.059 -0.069 0.000 0.893 270 L HN 0.143 nan 8.230 nan 0.000 0.432 271 K N -0.774 119.616 120.400 -0.016 0.000 2.097 271 K HA -0.115 4.204 4.320 -0.001 0.000 0.205 271 K C 1.957 178.577 176.600 0.033 0.000 1.050 271 K CA 1.225 57.518 56.287 0.010 0.000 0.938 271 K CB -0.176 32.336 32.500 0.020 0.000 0.718 271 K HN 0.375 nan 8.250 nan 0.000 0.442 272 A N 0.962 123.819 122.820 0.062 0.000 2.067 272 A HA -0.088 4.231 4.320 -0.001 0.000 0.217 272 A C 1.781 179.393 177.584 0.048 0.000 1.156 272 A CA 1.219 53.311 52.037 0.091 0.000 0.683 272 A CB -0.287 18.831 19.000 0.196 0.000 0.808 272 A HN 0.216 nan 8.150 nan 0.000 0.455 273 N N -0.431 118.280 118.700 0.019 0.000 2.333 273 N HA 0.060 4.799 4.740 -0.001 0.000 0.178 273 N C 1.210 176.710 175.510 -0.015 0.000 1.018 273 N CA 0.778 53.825 53.050 -0.004 0.000 0.882 273 N CB -0.201 38.269 38.487 -0.028 0.000 0.984 273 N HN 0.404 nan 8.380 nan 0.000 0.434 274 I N -0.468 120.088 120.570 -0.023 0.000 3.684 274 I HA 0.049 4.218 4.170 -0.001 0.000 0.304 274 I C 1.559 177.672 176.117 -0.007 0.000 1.278 274 I CA 0.213 61.495 61.300 -0.031 0.000 1.272 274 I CB 0.007 37.969 38.000 -0.062 0.000 1.029 274 I HN 0.093 nan 8.210 nan 0.000 0.458 275 S N -0.100 115.605 115.700 0.007 0.000 2.486 275 S HA 0.101 4.570 4.470 -0.001 0.000 0.220 275 S C 1.515 176.123 174.600 0.013 0.000 1.011 275 S CA 0.430 58.640 58.200 0.016 0.000 0.921 275 S CB 0.112 63.329 63.200 0.027 0.000 0.785 275 S HN 0.363 nan 8.310 nan 0.000 0.517 276 L N 1.333 122.561 121.223 0.010 0.000 2.607 276 L HA 0.418 4.757 4.340 -0.001 0.000 0.228 276 L C 1.776 178.649 176.870 0.005 0.000 1.123 276 L CA 0.602 55.443 54.840 0.002 0.000 0.890 276 L CB 0.023 42.082 42.059 -0.001 0.000 1.103 276 L HN 0.231 nan 8.230 nan 0.000 0.468 277 E N -1.394 118.821 120.200 0.024 0.000 2.216 277 E HA 0.004 4.353 4.350 -0.001 0.000 0.192 277 E C 1.044 177.701 176.600 0.096 0.000 0.973 277 E CA 0.902 57.348 56.400 0.077 0.000 0.851 277 E CB 0.249 29.979 29.700 0.050 0.000 0.804 277 E HN 0.293 nan 8.360 nan 0.000 0.477 278 T N 0.621 115.202 114.554 0.045 0.000 3.188 278 T HA 0.198 4.547 4.350 -0.001 0.000 0.250 278 T C 1.413 176.126 174.700 0.022 0.000 1.077 278 T CA 0.201 62.324 62.100 0.039 0.000 0.967 278 T CB 0.277 69.158 68.868 0.023 0.000 1.006 278 T HN 0.028 nan 8.240 nan 0.000 0.552 279 L N -0.351 120.875 121.223 0.005 0.000 2.526 279 L HA 0.290 4.629 4.340 -0.001 0.000 0.210 279 L C 2.446 179.281 176.870 -0.057 0.000 1.048 279 L CA 0.444 55.272 54.840 -0.020 0.000 0.852 279 L CB 0.169 42.215 42.059 -0.022 0.000 1.128 279 L HN 0.129 nan 8.230 nan 0.000 0.482 280 E N -0.217 119.924 120.200 -0.098 0.000 2.047 280 E HA -0.173 4.177 4.350 -0.001 0.000 0.191 280 E C 1.517 177.948 176.600 -0.281 0.000 0.987 280 E CA 1.018 57.282 56.400 -0.227 0.000 0.799 280 E CB 0.101 29.597 29.700 -0.339 0.000 0.752 280 E HN 0.482 nan 8.360 nan 0.000 0.449 281 H N -0.220 118.834 119.070 -0.026 0.000 2.539 281 H HA 0.196 4.751 4.556 -0.001 0.000 0.269 281 H C 0.272 175.587 175.328 -0.021 0.000 0.980 281 H CA 0.145 56.179 56.048 -0.023 0.000 1.152 281 H CB 0.296 30.044 29.762 -0.022 0.000 1.407 281 H HN 0.043 nan 8.280 nan 0.000 0.564 282 N N -0.350 118.380 118.700 0.050 0.000 3.178 282 N HA 0.223 4.962 4.740 -0.001 0.000 0.352 282 N C 0.518 176.025 175.510 -0.004 0.000 1.423 282 N CA -0.363 52.703 53.050 0.027 0.000 0.698 282 N CB -0.214 38.288 38.487 0.025 0.000 1.400 282 N HN 0.078 nan 8.380 nan 0.000 0.586 283 G N -0.485 108.313 108.800 -0.004 0.000 2.404 283 G HA2 0.416 4.376 3.960 -0.001 0.000 0.289 283 G HA3 0.416 4.376 3.960 -0.001 0.000 0.289 283 G C -0.476 174.406 174.900 -0.030 0.000 1.074 283 G CA -0.105 44.986 45.100 -0.014 0.000 1.210 283 G HN 0.553 nan 8.290 nan 0.000 0.434 284 A N 5.077 127.864 122.820 -0.055 0.000 2.279 284 A HA 0.684 5.004 4.320 -0.001 0.000 0.306 284 A C -1.530 175.987 177.584 -0.111 0.000 1.300 284 A CA -1.102 50.883 52.037 -0.086 0.000 0.925 284 A CB 0.500 19.430 19.000 -0.117 0.000 1.152 284 A HN 0.593 nan 8.150 nan 0.000 0.544 285 P HA 0.369 nan 4.420 nan 0.000 0.279 285 P C 0.684 177.910 177.300 -0.124 0.000 1.276 285 P CA -0.466 62.599 63.100 -0.058 0.000 0.801 285 P CB 0.667 32.373 31.700 0.011 0.000 1.127 286 H N -0.578 118.453 119.070 -0.064 0.000 2.275 286 H HA 0.011 4.567 4.556 -0.001 0.000 0.315 286 H C 0.608 175.792 175.328 -0.239 0.000 1.058 286 H CA 1.247 57.186 56.048 -0.182 0.000 1.387 286 H CB -0.217 29.414 29.762 -0.217 0.000 1.435 286 H HN 0.450 nan 8.280 nan 0.000 0.530 287 H N 0.275 119.435 119.070 0.151 0.000 2.713 287 H HA 0.372 4.927 4.556 -0.001 0.000 0.294 287 H C 0.479 175.836 175.328 0.049 0.000 1.366 287 H CA 0.385 56.481 56.048 0.080 0.000 1.139 287 H CB 0.258 30.057 29.762 0.062 0.000 1.487 287 H HN 0.353 nan 8.280 nan 0.000 0.504 288 A N 0.024 122.901 122.820 0.095 0.000 2.140 288 A HA 0.166 4.485 4.320 -0.001 0.000 0.199 288 A C 1.972 179.574 177.584 0.030 0.000 1.416 288 A CA -0.175 51.898 52.037 0.060 0.000 1.018 288 A CB 0.206 19.234 19.000 0.046 0.000 1.117 288 A HN 0.255 nan 8.150 nan 0.000 0.480 289 I N 0.406 120.981 120.570 0.009 0.000 2.353 289 I HA -0.191 3.978 4.170 -0.001 0.000 0.248 289 I C 2.194 178.320 176.117 0.016 0.000 1.119 289 I CA 1.297 62.595 61.300 -0.004 0.000 1.417 289 I CB -0.221 37.758 38.000 -0.035 0.000 1.078 289 I HN 0.393 nan 8.210 nan 0.000 0.421 290 E N 0.823 121.044 120.200 0.035 0.000 2.153 290 E HA -0.228 4.121 4.350 -0.001 0.000 0.194 290 E C 1.795 178.431 176.600 0.061 0.000 0.988 290 E CA 1.067 57.503 56.400 0.060 0.000 0.811 290 E CB -0.037 29.725 29.700 0.103 0.000 0.746 290 E HN 0.520 nan 8.360 nan 0.000 0.466 291 E N -0.093 120.140 120.200 0.055 0.000 2.435 291 E HA 0.001 4.350 4.350 -0.001 0.000 0.195 291 E C 1.591 178.203 176.600 0.019 0.000 1.029 291 E CA 0.445 56.867 56.400 0.036 0.000 0.865 291 E CB 0.260 29.980 29.700 0.033 0.000 0.833 291 E HN 0.189 nan 8.360 nan 0.000 0.510 292 A N 0.616 123.449 122.820 0.021 0.000 2.147 292 A HA -0.001 4.318 4.320 -0.001 0.000 0.211 292 A C 1.691 179.288 177.584 0.022 0.000 1.160 292 A CA 0.286 52.332 52.037 0.016 0.000 0.781 292 A CB 0.138 19.146 19.000 0.014 0.000 0.842 292 A HN 0.053 nan 8.150 nan 0.000 0.475 293 E N 0.139 120.356 120.200 0.029 0.000 2.299 293 E HA -0.082 4.267 4.350 -0.001 0.000 0.193 293 E C 1.967 178.603 176.600 0.061 0.000 0.998 293 E CA 0.843 57.266 56.400 0.038 0.000 0.851 293 E CB 0.042 29.764 29.700 0.035 0.000 0.795 293 E HN 0.703 nan 8.360 nan 0.000 0.492 294 S N -0.012 115.723 115.700 0.058 0.000 2.555 294 S HA -0.037 4.433 4.470 -0.001 0.000 0.230 294 S C 1.685 176.323 174.600 0.063 0.000 0.978 294 S CA 0.377 58.623 58.200 0.077 0.000 0.934 294 S CB 0.099 63.330 63.200 0.051 0.000 0.766 294 S HN 0.044 nan 8.310 nan 0.000 0.533 295 L N 0.217 121.449 121.223 0.015 0.000 2.200 295 L HA 0.446 4.785 4.340 -0.001 0.000 0.200 295 L C 2.123 179.003 176.870 0.017 0.000 1.072 295 L CA 0.833 55.644 54.840 -0.048 0.000 0.787 295 L CB -0.779 41.228 42.059 -0.086 0.000 0.957 295 L HN 0.357 nan 8.230 nan 0.000 0.459 296 L N -0.578 120.684 121.223 0.064 0.000 2.362 296 L HA -0.148 4.191 4.340 -0.001 0.000 0.219 296 L C 2.346 179.273 176.870 0.096 0.000 1.134 296 L CA 1.290 56.187 54.840 0.095 0.000 0.807 296 L CB -0.408 41.688 42.059 0.063 0.000 0.927 296 L HN 0.369 nan 8.230 nan 0.000 0.447 297 Q N -0.829 119.034 119.800 0.105 0.000 2.020 297 Q HA -0.224 4.116 4.340 -0.001 0.000 0.198 297 Q C 2.086 178.177 176.000 0.152 0.000 0.974 297 Q CA 2.054 57.935 55.803 0.130 0.000 0.829 297 Q CB -0.723 28.118 28.738 0.172 0.000 0.894 297 Q HN 0.485 nan 8.270 nan 0.000 0.433 298 F N 0.108 120.060 119.950 0.003 0.000 2.216 298 F HA -0.167 4.360 4.527 -0.001 0.000 0.300 298 F C 1.786 177.598 175.800 0.019 0.000 1.085 298 F CA 2.001 59.987 58.000 -0.024 0.000 1.326 298 F CB -0.064 38.865 39.000 -0.120 0.000 1.027 298 F HN 0.305 nan 8.300 nan 0.000 0.497 299 H N -2.010 117.188 119.070 0.212 0.000 2.403 299 H HA -0.055 4.501 4.556 -0.001 0.000 0.298 299 H C 2.186 177.544 175.328 0.050 0.000 1.059 299 H CA 1.172 57.298 56.048 0.130 0.000 1.363 299 H CB 0.038 29.878 29.762 0.131 0.000 1.410 299 H HN 0.091 nan 8.280 nan 0.000 0.528 300 V N 0.663 120.664 119.914 0.145 0.000 2.809 300 V HA -0.148 3.972 4.120 -0.001 0.000 0.256 300 V C 2.385 178.525 176.094 0.076 0.000 1.080 300 V CA 1.224 63.566 62.300 0.071 0.000 1.102 300 V CB -0.483 31.353 31.823 0.022 0.000 0.705 300 V HN 0.494 nan 8.190 nan 0.000 0.475 301 A N -0.370 122.461 122.820 0.019 0.000 1.854 301 A HA -0.202 4.118 4.320 -0.001 0.000 0.214 301 A C 2.444 179.992 177.584 -0.060 0.000 1.192 301 A CA 2.306 54.316 52.037 -0.046 0.000 0.611 301 A CB -1.021 17.915 19.000 -0.107 0.000 0.832 301 A HN 0.391 nan 8.150 nan 0.000 0.442 302 T N -1.860 112.616 114.554 -0.130 0.000 2.881 302 T HA -0.171 4.178 4.350 -0.001 0.000 0.270 302 T C 1.659 176.389 174.700 0.049 0.000 1.068 302 T CA 1.620 63.653 62.100 -0.112 0.000 1.131 302 T CB -0.452 68.286 68.868 -0.216 0.000 0.871 302 T HN 0.550 nan 8.240 nan 0.000 0.479 303 Y N 0.827 121.121 120.300 -0.010 0.000 2.315 303 Y HA -0.057 4.492 4.550 -0.001 0.000 0.288 303 Y C 1.899 177.812 175.900 0.023 0.000 1.154 303 Y CA 1.538 59.649 58.100 0.018 0.000 1.229 303 Y CB -0.202 38.274 38.460 0.027 0.000 0.980 303 Y HN 0.263 nan 8.280 nan 0.000 0.540 304 M N -1.230 118.358 119.600 -0.020 0.000 2.567 304 M HA 0.156 4.636 4.480 -0.001 0.000 0.261 304 M C -0.480 175.812 176.300 -0.013 0.000 1.180 304 M CA 0.471 55.725 55.300 -0.076 0.000 1.143 304 M CB 0.572 33.193 32.600 0.036 0.000 1.319 304 M HN 0.062 nan 8.290 nan 0.000 0.490 305 D N 0.271 120.664 120.400 -0.012 0.000 2.717 305 D HA 0.177 4.817 4.640 -0.001 0.000 0.223 305 D C -1.460 174.815 176.300 -0.043 0.000 1.240 305 D CA -0.420 53.573 54.000 -0.011 0.000 0.801 305 D CB 1.126 41.937 40.800 0.018 0.000 1.556 305 D HN 0.133 nan 8.370 nan 0.000 0.462 306 N N 1.204 119.882 118.700 -0.036 0.000 2.536 306 N HA 0.167 4.906 4.740 -0.001 0.000 0.286 306 N C -1.250 174.247 175.510 -0.022 0.000 1.577 306 N CA -0.380 52.641 53.050 -0.048 0.000 0.883 306 N CB 0.470 38.938 38.487 -0.033 0.000 1.390 306 N HN 0.115 nan 8.380 nan 0.000 0.491 307 D N 0.930 121.319 120.400 -0.019 0.000 2.456 307 D HA 0.389 5.028 4.640 -0.001 0.000 0.287 307 D C 0.605 176.900 176.300 -0.008 0.000 1.186 307 D CA -0.273 53.722 54.000 -0.009 0.000 0.916 307 D CB 0.919 41.712 40.800 -0.010 0.000 1.029 307 D HN 0.201 nan 8.370 nan 0.000 0.498 308 I N -0.131 120.436 120.570 -0.004 0.000 4.518 308 I HA 0.583 4.752 4.170 -0.001 0.000 0.247 308 I C 0.273 176.398 176.117 0.014 0.000 0.994 308 I CA -0.392 60.907 61.300 -0.001 0.000 2.009 308 I CB 0.085 38.080 38.000 -0.009 0.000 1.547 308 I HN 0.123 nan 8.210 nan 0.000 0.463 309 A N -0.248 122.590 122.820 0.030 0.000 2.513 309 A HA 0.675 4.994 4.320 -0.001 0.000 0.296 309 A C 0.006 177.628 177.584 0.065 0.000 1.052 309 A CA -0.047 52.014 52.037 0.039 0.000 0.714 309 A CB 0.613 19.633 19.000 0.033 0.000 1.279 309 A HN 1.170 nan 8.150 nan 0.000 0.397 310 G N 1.263 110.099 108.800 0.059 0.000 2.596 310 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.258 310 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.258 310 G C 0.038 174.991 174.900 0.089 0.000 1.207 310 G CA 0.242 45.384 45.100 0.070 0.000 0.954 310 G HN 1.165 nan 8.290 nan 0.000 0.551 311 Q N 2.055 121.935 119.800 0.134 0.000 2.313 311 Q HA 0.381 4.720 4.340 -0.001 0.000 0.266 311 Q C -1.257 174.874 176.000 0.218 0.000 0.989 311 Q CA -0.827 55.076 55.803 0.166 0.000 0.890 311 Q CB 1.425 30.264 28.738 0.167 0.000 1.200 311 Q HN 0.435 nan 8.270 nan 0.000 0.396 312 P HA -0.045 nan 4.420 nan 0.000 0.200 312 P C -0.589 176.817 177.300 0.176 0.000 1.204 312 P CA 0.320 63.494 63.100 0.124 0.000 0.886 312 P CB 0.415 32.160 31.700 0.076 0.000 0.718 313 Q N -3.459 116.437 119.800 0.159 0.000 2.756 313 Q HA 0.581 4.921 4.340 -0.001 0.000 0.295 313 Q C -0.996 175.080 176.000 0.127 0.000 0.903 313 Q CA -0.328 55.597 55.803 0.204 0.000 0.768 313 Q CB 1.038 29.895 28.738 0.200 0.000 1.472 313 Q HN 0.040 nan 8.270 nan 0.000 0.416 314 A N 0.941 123.833 122.820 0.121 0.000 2.121 314 A HA 0.432 4.752 4.320 -0.001 0.000 0.215 314 A C 0.052 177.662 177.584 0.043 0.000 1.861 314 A CA -0.207 51.870 52.037 0.067 0.000 0.850 314 A CB -0.514 18.519 19.000 0.055 0.000 1.346 314 A HN 0.550 nan 8.150 nan 0.000 0.597 315 L N 0.565 121.818 121.223 0.051 0.000 2.554 315 L HA -0.021 4.318 4.340 -0.001 0.000 0.293 315 L C 1.252 178.093 176.870 -0.049 0.000 1.252 315 L CA 0.586 55.428 54.840 0.003 0.000 0.862 315 L CB 0.172 42.249 42.059 0.030 0.000 1.113 315 L HN 0.737 nan 8.230 nan 0.000 0.510 316 Q N 1.003 120.722 119.800 -0.135 0.000 2.462 316 Q HA 0.092 4.431 4.340 -0.001 0.000 0.194 316 Q C -0.343 175.567 176.000 -0.150 0.000 0.694 316 Q CA -0.331 55.378 55.803 -0.156 0.000 0.873 316 Q CB 0.725 29.306 28.738 -0.261 0.000 1.261 316 Q HN 0.465 nan 8.270 nan 0.000 0.531 317 K N 1.151 121.432 120.400 -0.197 0.000 4.215 317 K HA -0.112 4.207 4.320 -0.001 0.000 0.318 317 K C -1.764 174.738 176.600 -0.164 0.000 1.077 317 K CA 0.875 57.005 56.287 -0.263 0.000 0.979 317 K CB -1.729 30.482 32.500 -0.481 0.000 1.497 317 K HN 0.467 nan 8.250 nan 0.000 0.436 318 S N -1.678 113.952 115.700 -0.117 0.000 3.027 318 S HA -0.070 4.399 4.470 -0.001 0.000 0.857 318 S C 1.417 175.986 174.600 -0.051 0.000 0.980 318 S CA 0.208 58.367 58.200 -0.068 0.000 1.337 318 S CB -0.893 62.277 63.200 -0.050 0.000 0.952 318 S HN 0.990 nan 8.310 nan 0.000 0.241 319 G N 3.038 111.817 108.800 -0.035 0.000 2.545 319 G HA2 -0.009 3.951 3.960 -0.001 0.000 0.217 319 G HA3 -0.009 3.951 3.960 -0.001 0.000 0.217 319 G C 0.409 175.303 174.900 -0.009 0.000 1.218 319 G CA 1.450 46.538 45.100 -0.020 0.000 0.787 319 G HN 0.738 nan 8.290 nan 0.000 0.571 320 R N -1.045 119.452 120.500 -0.005 0.000 2.836 320 R HA 0.475 4.815 4.340 -0.001 0.000 0.269 320 R C -1.849 174.453 176.300 0.003 0.000 1.010 320 R CA -1.190 54.914 56.100 0.007 0.000 0.930 320 R CB 1.918 32.226 30.300 0.013 0.000 1.218 320 R HN 0.043 nan 8.270 nan 0.000 0.473 321 P HA 0.228 nan 4.420 nan 0.000 0.206 321 P C -0.215 177.102 177.300 0.028 0.000 1.136 321 P CA 0.472 63.588 63.100 0.026 0.000 0.905 321 P CB 0.531 32.246 31.700 0.026 0.000 0.754 322 V N -5.290 114.637 119.914 0.022 0.000 4.111 322 V HA 0.393 4.512 4.120 -0.001 0.000 0.327 322 V C -0.026 176.079 176.094 0.019 0.000 1.830 322 V CA -0.645 61.670 62.300 0.025 0.000 0.886 322 V CB 0.262 32.116 31.823 0.052 0.000 0.931 322 V HN -0.216 nan 8.190 nan 0.000 0.467 323 K N 0.775 121.189 120.400 0.023 0.000 2.639 323 K HA 0.659 4.979 4.320 -0.001 0.000 0.242 323 K C 0.312 176.905 176.600 -0.012 0.000 1.386 323 K CA 1.322 57.613 56.287 0.006 0.000 0.780 323 K CB 0.341 32.846 32.500 0.009 0.000 1.790 323 K HN 2.009 nan 8.250 nan 0.000 0.369 324 S N -0.288 115.393 115.700 -0.032 0.000 2.996 324 S HA -0.067 4.402 4.470 -0.001 0.000 0.849 324 S C 0.788 175.314 174.600 -0.122 0.000 0.950 324 S CA 0.207 58.354 58.200 -0.088 0.000 1.370 324 S CB -1.601 61.567 63.200 -0.052 0.000 0.976 324 S HN 0.255 nan 8.310 nan 0.000 0.237 325 I N 1.979 122.423 120.570 -0.211 0.000 2.454 325 I HA -0.143 4.027 4.170 -0.001 0.000 0.254 325 I C 2.762 178.823 176.117 -0.092 0.000 1.156 325 I CA 1.600 62.802 61.300 -0.164 0.000 1.433 325 I CB -0.511 37.362 38.000 -0.212 0.000 1.082 325 I HN 0.768 nan 8.210 nan 0.000 0.432 326 R N 1.776 122.234 120.500 -0.071 0.000 2.073 326 R HA -0.154 4.185 4.340 -0.001 0.000 0.234 326 R C 2.348 178.609 176.300 -0.065 0.000 1.134 326 R CA 1.720 57.784 56.100 -0.061 0.000 0.952 326 R CB -0.226 30.061 30.300 -0.021 0.000 0.850 326 R HN 0.326 nan 8.270 nan 0.000 0.433 327 A N 0.783 123.572 122.820 -0.052 0.000 2.119 327 A HA -0.051 4.268 4.320 -0.001 0.000 0.217 327 A C 2.035 179.593 177.584 -0.045 0.000 1.153 327 A CA 0.701 52.710 52.037 -0.046 0.000 0.692 327 A CB -0.340 18.639 19.000 -0.035 0.000 0.799 327 A HN 0.325 nan 8.150 nan 0.000 0.458 328 R N -0.721 119.752 120.500 -0.046 0.000 2.152 328 R HA 0.034 4.374 4.340 -0.001 0.000 0.232 328 R C 1.333 177.607 176.300 -0.044 0.000 1.117 328 R CA 1.017 57.093 56.100 -0.040 0.000 0.981 328 R CB -0.212 30.065 30.300 -0.038 0.000 0.870 328 R HN 0.488 nan 8.270 nan 0.000 0.451 329 L N -0.013 121.174 121.223 -0.060 0.000 2.554 329 L HA 0.101 4.440 4.340 -0.001 0.000 0.225 329 L C 1.056 177.881 176.870 -0.074 0.000 1.104 329 L CA 0.195 54.992 54.840 -0.070 0.000 0.866 329 L CB 0.024 42.022 42.059 -0.102 0.000 1.047 329 L HN 0.048 nan 8.230 nan 0.000 0.468 330 K N 0.506 120.864 120.400 -0.070 0.000 2.102 330 K HA 0.327 4.647 4.320 -0.001 0.000 0.244 330 K C 0.331 176.889 176.600 -0.069 0.000 1.021 330 K CA -0.231 56.010 56.287 -0.077 0.000 0.913 330 K CB 1.126 33.583 32.500 -0.071 0.000 1.062 330 K HN -0.010 nan 8.250 nan 0.000 0.485 331 G N 1.239 109.991 108.800 -0.080 0.000 2.503 331 G HA2 0.167 4.126 3.960 -0.001 0.000 0.257 331 G HA3 0.167 4.126 3.960 -0.001 0.000 0.257 331 G C -1.022 173.840 174.900 -0.063 0.000 1.214 331 G CA -0.158 44.897 45.100 -0.075 0.000 0.839 331 G HN 0.780 nan 8.290 nan 0.000 0.559 332 K N 0.483 120.855 120.400 -0.047 0.000 6.739 332 K HA -0.233 4.087 4.320 -0.001 0.000 0.734 332 K C 0.662 177.243 176.600 -0.033 0.000 2.222 332 K CA 1.077 57.342 56.287 -0.037 0.000 1.670 332 K CB -0.560 31.913 32.500 -0.046 0.000 1.867 332 K HN 0.984 nan 8.250 nan 0.000 0.308 333 E N -1.109 119.076 120.200 -0.024 0.000 3.799 333 E HA -0.220 4.129 4.350 -0.001 0.000 0.320 333 E C 0.236 176.822 176.600 -0.023 0.000 0.760 333 E CA 1.224 57.611 56.400 -0.021 0.000 1.153 333 E CB -0.837 28.851 29.700 -0.022 0.000 1.589 333 E HN 0.692 nan 8.360 nan 0.000 0.448 334 G N 0.071 108.853 108.800 -0.029 0.000 2.329 334 G HA2 0.383 4.342 3.960 -0.001 0.000 0.309 334 G HA3 0.383 4.342 3.960 -0.001 0.000 0.309 334 G C 0.402 175.285 174.900 -0.028 0.000 1.110 334 G CA 0.352 45.433 45.100 -0.031 0.000 0.923 334 G HN 0.129 nan 8.290 nan 0.000 0.430 335 R N 1.811 122.298 120.500 -0.021 0.000 3.578 335 R HA -0.377 3.962 4.340 -0.001 0.000 0.449 335 R C 2.182 178.473 176.300 -0.014 0.000 0.525 335 R CA 2.696 58.786 56.100 -0.017 0.000 0.417 335 R CB -1.463 28.826 30.300 -0.019 0.000 0.599 335 R HN 0.577 nan 8.270 nan 0.000 0.268 336 I N -0.917 119.641 120.570 -0.020 0.000 2.076 336 I HA -0.294 3.876 4.170 -0.001 0.000 0.237 336 I C 2.710 178.823 176.117 -0.006 0.000 1.059 336 I CA 2.121 63.413 61.300 -0.014 0.000 1.317 336 I CB -0.388 37.597 38.000 -0.024 0.000 1.037 336 I HN 0.327 nan 8.210 nan 0.000 0.398 337 R N 0.585 121.078 120.500 -0.011 0.000 2.075 337 R HA -0.100 4.239 4.340 -0.001 0.000 0.232 337 R C 2.231 178.530 176.300 -0.003 0.000 1.126 337 R CA 1.560 57.659 56.100 -0.002 0.000 0.963 337 R CB -0.448 29.848 30.300 -0.007 0.000 0.858 337 R HN 0.466 nan 8.270 nan 0.000 0.435 338 G N -0.843 107.951 108.800 -0.010 0.000 2.494 338 G HA2 -0.115 3.845 3.960 -0.001 0.000 0.216 338 G HA3 -0.115 3.845 3.960 -0.001 0.000 0.216 338 G C 0.978 175.874 174.900 -0.006 0.000 1.140 338 G CA 0.205 45.300 45.100 -0.008 0.000 0.801 338 G HN 0.258 nan 8.290 nan 0.000 0.536 339 N N -0.669 118.027 118.700 -0.006 0.000 2.171 339 N HA 0.312 5.052 4.740 -0.001 0.000 0.212 339 N C 0.989 176.498 175.510 -0.003 0.000 1.184 339 N CA 0.089 53.136 53.050 -0.005 0.000 0.888 339 N CB 1.301 39.784 38.487 -0.006 0.000 1.038 339 N HN 0.264 nan 8.380 nan 0.000 0.517 340 L N -0.864 120.359 121.223 -0.001 0.000 2.437 340 L HA 0.227 4.567 4.340 -0.001 0.000 0.188 340 L C 1.468 178.340 176.870 0.003 0.000 1.123 340 L CA 0.016 54.856 54.840 0.001 0.000 0.981 340 L CB -0.152 41.909 42.059 0.003 0.000 1.935 340 L HN -0.134 nan 8.230 nan 0.000 0.494 341 M N 0.341 119.945 119.600 0.006 0.000 2.267 341 M HA 0.080 4.559 4.480 -0.001 0.000 0.263 341 M C 0.842 177.144 176.300 0.004 0.000 1.063 341 M CA 0.875 56.181 55.300 0.010 0.000 1.090 341 M CB -1.226 31.387 32.600 0.021 0.000 1.392 341 M HN 0.244 nan 8.290 nan 0.000 0.422 342 G N 0.652 109.453 108.800 0.002 0.000 2.668 342 G HA2 0.513 4.472 3.960 -0.001 0.000 0.284 342 G HA3 0.513 4.472 3.960 -0.001 0.000 0.284 342 G C -1.121 173.779 174.900 -0.000 0.000 1.456 342 G CA -0.803 44.296 45.100 -0.000 0.000 1.214 342 G HN 0.180 nan 8.290 nan 0.000 0.568 343 K N 2.078 122.477 120.400 -0.001 0.000 2.164 343 K HA 0.499 4.819 4.320 -0.001 0.000 0.258 343 K C 0.292 176.896 176.600 0.008 0.000 0.951 343 K CA -0.870 55.418 56.287 0.001 0.000 0.844 343 K CB 2.229 34.728 32.500 -0.001 0.000 1.099 343 K HN 0.388 nan 8.250 nan 0.000 0.435 344 R N 1.240 121.745 120.500 0.009 0.000 2.585 344 R HA 0.068 4.408 4.340 -0.001 0.000 0.275 344 R C 0.240 176.550 176.300 0.018 0.000 1.018 344 R CA -0.059 56.051 56.100 0.017 0.000 1.072 344 R CB 0.036 30.339 30.300 0.006 0.000 0.953 344 R HN 0.524 nan 8.270 nan 0.000 0.419 345 V N -1.519 118.418 119.914 0.039 0.000 3.141 345 V HA 0.457 4.577 4.120 -0.001 0.000 0.312 345 V C -0.287 175.827 176.094 0.034 0.000 1.157 345 V CA -1.205 61.120 62.300 0.042 0.000 1.041 345 V CB 2.290 34.153 31.823 0.068 0.000 1.071 345 V HN 0.550 nan 8.190 nan 0.000 0.441 346 D N -0.064 120.337 120.400 0.001 0.000 2.423 346 D HA 0.457 5.097 4.640 -0.001 0.000 0.255 346 D C -0.308 176.032 176.300 0.066 0.000 1.174 346 D CA 0.151 54.070 54.000 -0.135 0.000 1.008 346 D CB 0.480 40.995 40.800 -0.475 0.000 1.101 346 D HN 0.679 nan 8.370 nan 0.000 0.516 347 F N -0.460 119.540 119.950 0.083 0.000 2.905 347 F HA -0.235 4.291 4.527 -0.002 0.000 0.291 347 F C 0.279 176.154 175.800 0.126 0.000 1.002 347 F CA 0.115 58.177 58.000 0.104 0.000 0.978 347 F CB -2.189 36.875 39.000 0.107 0.000 1.036 347 F HN 0.176 nan 8.300 nan 0.000 0.820 348 S N -1.196 114.630 115.700 0.210 0.000 2.618 348 S HA 1.031 5.500 4.470 -0.001 0.000 0.277 348 S C -0.461 174.184 174.600 0.074 0.000 1.138 348 S CA -0.385 57.879 58.200 0.108 0.000 0.844 348 S CB 2.726 65.983 63.200 0.095 0.000 1.127 348 S HN 1.439 nan 8.310 nan 0.000 0.474 349 A N 0.581 123.419 122.820 0.031 0.000 2.602 349 A HA 0.942 5.261 4.320 -0.001 0.000 0.290 349 A C -1.059 176.621 177.584 0.160 0.000 1.114 349 A CA -0.934 51.186 52.037 0.139 0.000 0.683 349 A CB 1.675 20.843 19.000 0.279 0.000 1.281 349 A HN 1.085 nan 8.150 nan 0.000 0.416 350 R N 0.153 120.806 120.500 0.254 0.000 2.560 350 R HA 0.608 4.947 4.340 -0.001 0.000 0.267 350 R C -1.713 174.748 176.300 0.268 0.000 1.150 350 R CA 0.019 56.277 56.100 0.264 0.000 0.997 350 R CB 1.817 32.165 30.300 0.079 0.000 1.250 350 R HN 0.934 nan 8.270 nan 0.000 0.433 351 T N 1.345 116.144 114.554 0.409 0.000 2.762 351 T HA 0.261 4.611 4.350 -0.001 0.000 0.301 351 T C -0.840 173.991 174.700 0.218 0.000 1.299 351 T CA -0.604 61.579 62.100 0.138 0.000 1.005 351 T CB 1.616 70.379 68.868 -0.176 0.000 1.377 351 T HN 0.241 nan 8.240 nan 0.000 0.504 352 V N 2.102 122.080 119.914 0.107 0.000 2.763 352 V HA 0.238 4.358 4.120 -0.001 0.000 0.306 352 V C 0.308 176.511 176.094 0.181 0.000 1.059 352 V CA 0.084 62.454 62.300 0.116 0.000 1.138 352 V CB -0.061 31.801 31.823 0.065 0.000 0.940 352 V HN 0.651 nan 8.190 nan 0.000 0.489 353 I N 2.536 123.234 120.570 0.214 0.000 2.577 353 I HA 0.877 5.046 4.170 -0.001 0.000 0.305 353 I C 0.048 176.296 176.117 0.219 0.000 0.986 353 I CA -0.244 61.217 61.300 0.268 0.000 1.189 353 I CB 2.032 40.238 38.000 0.343 0.000 1.355 353 I HN 0.621 nan 8.210 nan 0.000 0.476 354 S N 2.160 117.844 115.700 -0.027 0.000 2.588 354 S HA 0.825 5.295 4.470 -0.001 0.000 0.275 354 S C -0.318 173.683 174.600 -0.998 0.000 1.130 354 S CA -0.701 57.179 58.200 -0.533 0.000 0.855 354 S CB 1.286 64.312 63.200 -0.289 0.000 1.116 354 S HN 1.103 nan 8.310 nan 0.000 0.472 355 G N -0.151 107.668 108.800 -1.635 0.000 2.425 355 G HA2 0.555 4.514 3.960 -0.001 0.000 0.302 355 G HA3 0.555 4.514 3.960 -0.001 0.000 0.302 355 G C -1.364 173.300 174.900 -0.393 0.000 1.159 355 G CA -0.287 44.201 45.100 -1.019 0.000 0.865 355 G HN 0.692 nan 8.290 nan 0.000 0.515 356 D N 1.356 121.651 120.400 -0.175 0.000 2.375 356 D HA 0.285 4.924 4.640 -0.001 0.000 0.241 356 D C -1.952 174.328 176.300 -0.033 0.000 1.361 356 D CA -1.496 52.442 54.000 -0.103 0.000 0.995 356 D CB 2.423 43.168 40.800 -0.091 0.000 1.312 356 D HN 0.089 nan 8.370 nan 0.000 0.576 357 P HA 0.112 nan 4.420 nan 0.000 0.235 357 P C 0.489 177.798 177.300 0.015 0.000 1.177 357 P CA 0.254 63.355 63.100 0.001 0.000 0.785 357 P CB 0.506 32.197 31.700 -0.015 0.000 0.885 358 N N -0.298 118.415 118.700 0.022 0.000 2.279 358 N HA 0.160 4.899 4.740 -0.001 0.000 0.226 358 N C -0.082 175.469 175.510 0.067 0.000 1.126 358 N CA -0.059 53.034 53.050 0.072 0.000 0.846 358 N CB 0.315 38.869 38.487 0.112 0.000 1.050 358 N HN 0.210 nan 8.380 nan 0.000 0.502 359 L N 0.271 121.520 121.223 0.044 0.000 2.322 359 L HA 0.361 4.700 4.340 -0.001 0.000 0.269 359 L C 0.072 176.974 176.870 0.054 0.000 1.012 359 L CA -0.566 54.298 54.840 0.039 0.000 0.815 359 L CB 1.756 43.824 42.059 0.014 0.000 1.295 359 L HN -0.133 nan 8.230 nan 0.000 0.438 360 E N 1.535 121.767 120.200 0.053 0.000 2.319 360 E HA 0.089 4.438 4.350 -0.001 0.000 0.268 360 E C 0.591 177.226 176.600 0.058 0.000 1.050 360 E CA -0.369 56.068 56.400 0.062 0.000 0.878 360 E CB 1.623 31.356 29.700 0.055 0.000 1.066 360 E HN 0.577 nan 8.360 nan 0.000 0.406 361 L N 2.874 124.129 121.223 0.054 0.000 1.978 361 L HA -0.232 4.108 4.340 -0.001 0.000 0.218 361 L C 1.425 178.303 176.870 0.015 0.000 1.075 361 L CA 2.366 57.211 54.840 0.008 0.000 0.767 361 L CB -0.494 41.538 42.059 -0.045 0.000 0.890 361 L HN 0.599 nan 8.230 nan 0.000 0.434 362 D N -1.147 119.249 120.400 -0.007 0.000 2.323 362 D HA -0.054 4.586 4.640 -0.001 0.000 0.239 362 D C 0.530 176.862 176.300 0.054 0.000 1.129 362 D CA 0.020 53.983 54.000 -0.063 0.000 0.865 362 D CB -0.183 40.555 40.800 -0.104 0.000 0.913 362 D HN 0.559 nan 8.370 nan 0.000 0.517 363 Q N -0.606 119.272 119.800 0.129 0.000 2.199 363 Q HA 0.613 4.952 4.340 -0.001 0.000 0.205 363 Q C -1.016 175.034 176.000 0.083 0.000 1.001 363 Q CA -1.093 54.776 55.803 0.109 0.000 1.019 363 Q CB 2.711 31.474 28.738 0.043 0.000 1.132 363 Q HN 0.042 nan 8.270 nan 0.000 0.530 364 V N -0.484 119.378 119.914 -0.087 0.000 2.823 364 V HA 0.497 4.616 4.120 -0.001 0.000 0.296 364 V C -1.164 174.839 176.094 -0.153 0.000 1.250 364 V CA -0.388 61.720 62.300 -0.320 0.000 0.939 364 V CB 1.835 33.202 31.823 -0.759 0.000 1.062 364 V HN 0.803 nan 8.190 nan 0.000 0.433 365 G N 5.746 114.489 108.800 -0.094 0.000 2.639 365 G HA2 0.484 4.444 3.960 -0.001 0.000 0.312 365 G HA3 0.484 4.444 3.960 -0.001 0.000 0.312 365 G C -0.371 174.567 174.900 0.064 0.000 0.911 365 G CA -0.177 44.914 45.100 -0.014 0.000 1.410 365 G HN 0.843 nan 8.290 nan 0.000 0.469 366 V N 5.604 125.553 119.914 0.058 0.000 2.461 366 V HA 0.232 4.352 4.120 -0.001 0.000 0.275 366 V C -1.534 174.515 176.094 -0.074 0.000 1.047 366 V CA -1.525 60.816 62.300 0.068 0.000 0.955 366 V CB 1.675 33.574 31.823 0.127 0.000 0.988 366 V HN 0.577 nan 8.190 nan 0.000 0.471 367 P HA 0.125 nan 4.420 nan 0.000 0.271 367 P C 0.481 177.681 177.300 -0.167 0.000 1.220 367 P CA -0.262 62.731 63.100 -0.179 0.000 0.768 367 P CB 1.066 32.617 31.700 -0.247 0.000 0.848 368 K N 2.472 122.761 120.400 -0.186 0.000 2.077 368 K HA -0.256 4.063 4.320 -0.001 0.000 0.213 368 K C 2.170 178.674 176.600 -0.161 0.000 1.051 368 K CA 2.458 58.602 56.287 -0.239 0.000 0.929 368 K CB -0.546 31.817 32.500 -0.228 0.000 0.715 368 K HN 0.450 nan 8.250 nan 0.000 0.451 369 S N 0.463 116.085 115.700 -0.130 0.000 2.369 369 S HA -0.222 4.248 4.470 -0.001 0.000 0.225 369 S C 1.910 176.473 174.600 -0.061 0.000 1.043 369 S CA 1.908 60.052 58.200 -0.094 0.000 1.074 369 S CB -0.364 62.778 63.200 -0.097 0.000 0.962 369 S HN 0.377 nan 8.310 nan 0.000 0.433 370 I N 1.512 122.041 120.570 -0.069 0.000 2.226 370 I HA -0.156 4.013 4.170 -0.001 0.000 0.245 370 I C 2.842 178.988 176.117 0.047 0.000 1.100 370 I CA 0.989 62.282 61.300 -0.012 0.000 1.374 370 I CB -0.606 37.366 38.000 -0.047 0.000 1.057 370 I HN 0.478 nan 8.210 nan 0.000 0.413 371 A N 0.923 123.748 122.820 0.008 0.000 1.873 371 A HA -0.271 4.049 4.320 -0.001 0.000 0.218 371 A C 2.253 179.923 177.584 0.142 0.000 1.193 371 A CA 1.879 53.959 52.037 0.072 0.000 0.629 371 A CB -0.553 18.404 19.000 -0.072 0.000 0.826 371 A HN 0.338 nan 8.150 nan 0.000 0.447 372 K N -0.929 119.477 120.400 0.010 0.000 2.362 372 K HA -0.052 4.267 4.320 -0.001 0.000 0.200 372 K C 1.734 178.429 176.600 0.158 0.000 1.046 372 K CA 1.466 57.668 56.287 -0.142 0.000 0.952 372 K CB -0.167 32.206 32.500 -0.211 0.000 0.753 372 K HN 0.562 nan 8.250 nan 0.000 0.466 373 T N 0.912 115.557 114.554 0.152 0.000 2.983 373 T HA 0.093 4.442 4.350 -0.001 0.000 0.250 373 T C 0.927 175.768 174.700 0.236 0.000 1.037 373 T CA 0.286 62.488 62.100 0.169 0.000 1.142 373 T CB 0.135 69.063 68.868 0.100 0.000 0.876 373 T HN -0.013 nan 8.240 nan 0.000 0.455 374 L N 0.763 122.138 121.223 0.253 0.000 2.468 374 L HA 0.488 4.827 4.340 -0.001 0.000 0.254 374 L C 0.504 177.568 176.870 0.323 0.000 1.171 374 L CA -0.111 54.912 54.840 0.305 0.000 0.809 374 L CB 1.050 43.270 42.059 0.269 0.000 1.155 374 L HN 0.082 nan 8.230 nan 0.000 0.473 375 T N -0.905 113.843 114.554 0.324 0.000 2.787 375 T HA 0.486 4.835 4.350 -0.001 0.000 0.297 375 T C -2.100 172.654 174.700 0.090 0.000 1.221 375 T CA -0.400 61.826 62.100 0.211 0.000 1.006 375 T CB 1.268 70.269 68.868 0.220 0.000 1.328 375 T HN 0.389 nan 8.240 nan 0.000 0.509 376 Y N 3.008 123.267 120.300 -0.067 0.000 2.362 376 Y HA 0.528 5.077 4.550 -0.002 0.000 0.326 376 Y C -2.726 173.124 175.900 -0.083 0.000 1.083 376 Y CA -2.243 55.782 58.100 -0.127 0.000 1.073 376 Y CB 2.010 40.427 38.460 -0.072 0.000 1.211 376 Y HN 0.302 nan 8.280 nan 0.000 0.433 377 P HA 0.118 nan 4.420 nan 0.000 0.276 377 P C -1.068 175.755 177.300 -0.794 0.000 1.264 377 P CA 0.284 63.024 63.100 -0.600 0.000 0.769 377 P CB 1.115 32.547 31.700 -0.446 0.000 0.840 378 E N 3.110 123.115 120.200 -0.325 0.000 2.191 378 E HA 0.336 4.685 4.350 -0.001 0.000 0.263 378 E C -0.954 175.635 176.600 -0.019 0.000 0.881 378 E CA -0.935 55.407 56.400 -0.095 0.000 0.757 378 E CB 1.312 31.071 29.700 0.098 0.000 1.147 378 E HN 0.081 nan 8.360 nan 0.000 0.414 379 V N 4.325 124.248 119.914 0.015 0.000 2.583 379 V HA 0.117 4.237 4.120 -0.001 0.000 0.287 379 V C 0.106 176.242 176.094 0.070 0.000 1.051 379 V CA -0.727 61.604 62.300 0.052 0.000 1.010 379 V CB 1.362 33.221 31.823 0.060 0.000 0.988 379 V HN 0.536 nan 8.190 nan 0.000 0.478 380 V N 4.424 124.375 119.914 0.061 0.000 2.446 380 V HA 0.263 4.383 4.120 -0.001 0.000 0.276 380 V C 0.547 176.652 176.094 0.018 0.000 1.030 380 V CA 0.384 62.684 62.300 -0.001 0.000 1.033 380 V CB 0.662 32.430 31.823 -0.092 0.000 0.993 380 V HN 1.030 nan 8.190 nan 0.000 0.477 381 T N 6.381 120.956 114.554 0.036 0.000 2.924 381 T HA 0.492 4.842 4.350 -0.001 0.000 0.291 381 T C -1.725 172.986 174.700 0.018 0.000 1.045 381 T CA -2.076 60.069 62.100 0.075 0.000 1.015 381 T CB 2.179 71.108 68.868 0.100 0.000 1.103 381 T HN 0.430 nan 8.240 nan 0.000 0.496 382 P HA -0.097 nan 4.420 nan 0.000 0.219 382 P C 0.682 177.925 177.300 -0.094 0.000 1.146 382 P CA 1.301 64.434 63.100 0.056 0.000 0.808 382 P CB -0.116 31.501 31.700 -0.137 0.000 0.779 383 Y N 1.699 122.060 120.300 0.102 0.000 2.293 383 Y HA -0.118 4.432 4.550 -0.001 0.000 0.291 383 Y C 2.191 178.116 175.900 0.043 0.000 1.137 383 Y CA 1.485 59.621 58.100 0.061 0.000 1.202 383 Y CB -1.568 36.923 38.460 0.052 0.000 0.990 383 Y HN 0.192 nan 8.280 nan 0.000 0.537 384 N N -0.376 118.418 118.700 0.157 0.000 2.227 384 N HA -0.012 4.727 4.740 -0.001 0.000 0.196 384 N C 1.347 176.870 175.510 0.021 0.000 1.142 384 N CA 0.223 53.329 53.050 0.093 0.000 0.887 384 N CB -1.013 37.537 38.487 0.105 0.000 1.022 384 N HN 0.417 nan 8.380 nan 0.000 0.500 385 I N 0.902 121.453 120.570 -0.031 0.000 2.300 385 I HA -0.351 3.819 4.170 -0.001 0.000 0.252 385 I C 0.583 176.655 176.117 -0.075 0.000 1.119 385 I CA 1.886 63.118 61.300 -0.114 0.000 1.384 385 I CB 0.040 37.886 38.000 -0.256 0.000 1.062 385 I HN 0.043 nan 8.210 nan 0.000 0.426 386 D N 0.045 120.425 120.400 -0.032 0.000 2.091 386 D HA -0.196 4.443 4.640 -0.001 0.000 0.199 386 D C 2.228 178.523 176.300 -0.009 0.000 0.980 386 D CA 1.141 55.129 54.000 -0.020 0.000 0.831 386 D CB -0.374 40.425 40.800 -0.001 0.000 0.987 386 D HN 0.308 nan 8.370 nan 0.000 0.460 387 R N 0.615 121.119 120.500 0.007 0.000 2.193 387 R HA -0.071 4.268 4.340 -0.001 0.000 0.229 387 R C 1.637 177.942 176.300 0.008 0.000 1.110 387 R CA 0.814 56.922 56.100 0.013 0.000 0.988 387 R CB -0.226 30.091 30.300 0.028 0.000 0.871 387 R HN 0.227 nan 8.270 nan 0.000 0.458 388 L N 0.471 121.695 121.223 0.001 0.000 2.253 388 L HA 0.070 4.409 4.340 -0.001 0.000 0.205 388 L C 2.002 178.865 176.870 -0.012 0.000 1.078 388 L CA 1.349 56.189 54.840 -0.000 0.000 0.805 388 L CB -0.001 42.058 42.059 0.000 0.000 0.963 388 L HN 0.060 nan 8.230 nan 0.000 0.459 389 T N -1.088 113.450 114.554 -0.027 0.000 2.708 389 T HA -0.250 4.099 4.350 -0.001 0.000 0.266 389 T C 1.689 176.380 174.700 -0.016 0.000 1.037 389 T CA 1.534 63.617 62.100 -0.029 0.000 1.146 389 T CB -0.160 68.679 68.868 -0.048 0.000 0.865 389 T HN 0.271 nan 8.240 nan 0.000 0.435 390 Q N 1.002 120.794 119.800 -0.013 0.000 2.156 390 Q HA -0.156 4.183 4.340 -0.001 0.000 0.211 390 Q C 1.982 177.979 176.000 -0.005 0.000 0.995 390 Q CA 1.742 57.540 55.803 -0.007 0.000 0.877 390 Q CB -0.773 27.963 28.738 -0.004 0.000 0.920 390 Q HN 0.564 nan 8.270 nan 0.000 0.416 391 L N -1.142 120.078 121.223 -0.005 0.000 2.005 391 L HA -0.148 4.191 4.340 -0.001 0.000 0.207 391 L C 2.346 179.213 176.870 -0.004 0.000 1.072 391 L CA 1.138 55.975 54.840 -0.005 0.000 0.744 391 L CB -0.712 41.342 42.059 -0.009 0.000 0.895 391 L HN 0.108 nan 8.230 nan 0.000 0.433 392 V N -0.054 119.857 119.914 -0.006 0.000 2.380 392 V HA -0.329 3.791 4.120 -0.001 0.000 0.251 392 V C 2.617 178.710 176.094 -0.002 0.000 1.063 392 V CA 2.096 64.393 62.300 -0.004 0.000 1.055 392 V CB -0.921 30.908 31.823 0.010 0.000 0.657 392 V HN 0.459 nan 8.190 nan 0.000 0.455 393 R N 0.471 120.970 120.500 -0.002 0.000 2.120 393 R HA -0.155 4.185 4.340 -0.001 0.000 0.234 393 R C 2.139 178.439 176.300 0.000 0.000 1.123 393 R CA 1.627 57.726 56.100 -0.002 0.000 0.975 393 R CB -0.240 30.058 30.300 -0.003 0.000 0.866 393 R HN 0.523 nan 8.270 nan 0.000 0.446 394 N N -0.029 118.674 118.700 0.004 0.000 2.331 394 N HA -0.014 4.726 4.740 -0.001 0.000 0.180 394 N C 0.826 176.349 175.510 0.021 0.000 1.019 394 N CA 1.187 54.244 53.050 0.012 0.000 0.881 394 N CB 0.066 38.562 38.487 0.015 0.000 0.972 394 N HN 0.441 nan 8.380 nan 0.000 0.435 395 G N 0.690 109.501 108.800 0.020 0.000 2.698 395 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.233 395 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.233 395 G C -2.096 172.860 174.900 0.092 0.000 1.352 395 G CA 0.037 45.147 45.100 0.017 0.000 0.879 395 G HN 0.183 nan 8.290 nan 0.000 0.567 396 P HA 0.166 nan 4.420 nan 0.000 0.261 396 P C 0.758 178.118 177.300 0.099 0.000 1.268 396 P CA 0.496 63.702 63.100 0.176 0.000 0.833 396 P CB 0.251 31.973 31.700 0.037 0.000 1.231 397 N N -0.297 118.420 118.700 0.029 0.000 2.294 397 N HA 0.040 4.779 4.740 -0.001 0.000 0.186 397 N C 0.432 175.927 175.510 -0.026 0.000 1.107 397 N CA 0.279 53.319 53.050 -0.017 0.000 0.884 397 N CB 0.841 39.310 38.487 -0.030 0.000 1.030 397 N HN 0.323 nan 8.380 nan 0.000 0.482 398 E N 0.135 120.332 120.200 -0.005 0.000 2.179 398 E HA 0.066 4.415 4.350 -0.001 0.000 0.275 398 E C 0.533 177.128 176.600 -0.009 0.000 0.945 398 E CA -0.413 55.986 56.400 -0.001 0.000 0.792 398 E CB 1.380 31.084 29.700 0.007 0.000 1.125 398 E HN 0.087 nan 8.360 nan 0.000 0.397 399 H N 4.831 123.855 119.070 -0.076 0.000 2.650 399 H HA -0.074 4.480 4.556 -0.002 0.000 0.297 399 H C -1.692 173.626 175.328 -0.016 0.000 1.038 399 H CA 1.726 57.706 56.048 -0.113 0.000 1.103 399 H CB -1.053 28.662 29.762 -0.078 0.000 1.451 399 H HN 0.379 nan 8.280 nan 0.000 0.680 400 P HA 0.253 nan 4.420 nan 0.000 0.268 400 P C -0.516 176.723 177.300 -0.102 0.000 1.282 400 P CA 1.084 63.898 63.100 -0.476 0.000 0.880 400 P CB 0.719 32.274 31.700 -0.243 0.000 0.971 401 G N 1.581 110.443 108.800 0.103 0.000 2.489 401 G HA2 0.689 4.648 3.960 -0.001 0.000 0.305 401 G HA3 0.689 4.648 3.960 -0.001 0.000 0.305 401 G C -2.100 172.812 174.900 0.021 0.000 1.311 401 G CA -0.164 45.032 45.100 0.159 0.000 0.813 401 G HN 0.477 nan 8.290 nan 0.000 0.480 402 A N -0.706 122.002 122.820 -0.187 0.000 2.606 402 A HA 0.869 5.189 4.320 -0.001 0.000 0.293 402 A C -0.958 176.473 177.584 -0.254 0.000 1.082 402 A CA -0.679 51.109 52.037 -0.415 0.000 0.685 402 A CB 1.708 20.609 19.000 -0.165 0.000 1.284 402 A HN 0.758 nan 8.150 nan 0.000 0.408 403 K N 0.236 120.517 120.400 -0.197 0.000 2.267 403 K HA 0.697 5.016 4.320 -0.001 0.000 0.246 403 K C -1.604 175.022 176.600 0.044 0.000 0.954 403 K CA -0.744 55.486 56.287 -0.095 0.000 0.824 403 K CB 1.416 33.936 32.500 0.033 0.000 1.167 403 K HN 0.654 nan 8.250 nan 0.000 0.431 404 Y N -1.356 118.934 120.300 -0.017 0.000 2.557 404 Y HA -0.233 4.319 4.550 0.004 0.000 0.028 404 Y C -0.720 175.167 175.900 -0.020 0.000 1.751 404 Y CA -0.268 57.825 58.100 -0.012 0.000 1.382 404 Y CB -0.977 37.482 38.460 -0.002 0.000 2.030 404 Y HN 0.282 nan 8.280 nan 0.000 0.262 405 V N 5.559 125.542 119.914 0.116 0.000 2.531 405 V HA 0.569 4.688 4.120 -0.001 0.000 0.301 405 V C 0.106 176.181 176.094 -0.031 0.000 1.034 405 V CA -0.990 61.346 62.300 0.061 0.000 0.865 405 V CB 1.984 33.856 31.823 0.083 0.000 0.995 405 V HN 0.537 nan 8.190 nan 0.000 0.424 406 I N 4.473 125.004 120.570 -0.066 0.000 2.392 406 I HA 0.549 4.719 4.170 -0.001 0.000 0.295 406 I C 0.489 176.375 176.117 -0.384 0.000 0.985 406 I CA -0.490 60.710 61.300 -0.167 0.000 1.221 406 I CB 1.677 39.617 38.000 -0.099 0.000 1.366 406 I HN 0.566 nan 8.210 nan 0.000 0.467 407 R N 2.950 123.089 120.500 -0.602 0.000 2.603 407 R HA 0.254 4.593 4.340 -0.001 0.000 0.231 407 R C 0.612 176.609 176.300 -0.504 0.000 1.263 407 R CA -0.673 54.779 56.100 -1.081 0.000 1.102 407 R CB 0.674 30.385 30.300 -0.981 0.000 1.527 407 R HN 0.550 nan 8.270 nan 0.000 0.554 408 D N 0.030 120.229 120.400 -0.336 0.000 2.097 408 D HA -0.127 4.513 4.640 -0.001 0.000 0.197 408 D C 1.737 178.018 176.300 -0.031 0.000 0.984 408 D CA 1.903 55.886 54.000 -0.029 0.000 0.826 408 D CB -0.172 40.702 40.800 0.122 0.000 0.973 408 D HN 0.452 nan 8.370 nan 0.000 0.460 409 S N -0.186 115.480 115.700 -0.058 0.000 2.400 409 S HA -0.016 4.453 4.470 -0.001 0.000 0.232 409 S C 1.939 176.510 174.600 -0.047 0.000 1.025 409 S CA 1.283 59.465 58.200 -0.030 0.000 0.993 409 S CB -0.238 62.940 63.200 -0.037 0.000 0.808 409 S HN 0.439 nan 8.310 nan 0.000 0.478 410 G N 1.264 110.001 108.800 -0.104 0.000 2.163 410 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.213 410 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.213 410 G C -0.673 174.172 174.900 -0.092 0.000 0.991 410 G CA -0.097 44.947 45.100 -0.094 0.000 0.653 410 G HN 0.513 nan 8.290 nan 0.000 0.518 411 D N 0.508 120.843 120.400 -0.108 0.000 2.390 411 D HA 0.348 4.987 4.640 -0.001 0.000 0.249 411 D C 0.797 177.044 176.300 -0.088 0.000 1.144 411 D CA 0.128 54.078 54.000 -0.084 0.000 0.880 411 D CB 0.989 41.739 40.800 -0.083 0.000 1.182 411 D HN 0.347 nan 8.370 nan 0.000 0.451 412 R N 1.646 122.129 120.500 -0.029 0.000 2.357 412 R HA 0.402 4.741 4.340 -0.001 0.000 0.296 412 R C -0.521 175.813 176.300 0.057 0.000 1.052 412 R CA -0.672 55.448 56.100 0.032 0.000 0.988 412 R CB 0.616 30.969 30.300 0.088 0.000 1.025 412 R HN 0.294 nan 8.270 nan 0.000 0.469 413 I N 3.036 123.648 120.570 0.070 0.000 2.405 413 I HA 0.077 4.246 4.170 -0.001 0.000 0.280 413 I C -0.524 175.598 176.117 0.008 0.000 1.027 413 I CA -0.249 61.067 61.300 0.026 0.000 1.161 413 I CB 1.417 39.407 38.000 -0.016 0.000 1.300 413 I HN 0.391 nan 8.210 nan 0.000 0.463 414 D N 6.619 127.007 120.400 -0.019 0.000 2.344 414 D HA 0.150 4.790 4.640 -0.001 0.000 0.253 414 D C 0.911 177.106 176.300 -0.175 0.000 1.255 414 D CA 0.126 54.006 54.000 -0.200 0.000 0.894 414 D CB 0.982 41.780 40.800 -0.004 0.000 1.067 414 D HN 0.440 nan 8.370 nan 0.000 0.492 415 L N 4.110 125.164 121.223 -0.281 0.000 2.599 415 L HA 0.018 4.357 4.340 -0.001 0.000 0.230 415 L C 2.349 179.107 176.870 -0.188 0.000 1.141 415 L CA 0.112 54.850 54.840 -0.169 0.000 0.877 415 L CB -0.125 41.853 42.059 -0.136 0.000 1.009 415 L HN 0.320 nan 8.230 nan 0.000 0.447 416 R N -1.337 118.988 120.500 -0.292 0.000 2.223 416 R HA 0.023 4.363 4.340 -0.001 0.000 0.198 416 R C 0.677 176.678 176.300 -0.498 0.000 0.984 416 R CA 0.442 56.296 56.100 -0.410 0.000 1.018 416 R CB -0.165 29.812 30.300 -0.538 0.000 0.945 416 R HN 0.200 nan 8.270 nan 0.000 0.479 417 Y N 1.427 121.679 120.300 -0.079 0.000 3.113 417 Y HA 0.331 4.878 4.550 -0.005 0.000 0.327 417 Y C 0.913 176.785 175.900 -0.046 0.000 1.171 417 Y CA -0.051 58.019 58.100 -0.050 0.000 1.200 417 Y CB -0.547 37.887 38.460 -0.043 0.000 1.110 417 Y HN 0.095 nan 8.280 nan 0.000 0.794 418 S N -0.572 115.230 115.700 0.169 0.000 3.547 418 S HA -0.209 4.261 4.470 -0.001 0.000 0.832 418 S C 0.259 174.889 174.600 0.049 0.000 1.254 418 S CA 0.442 58.685 58.200 0.072 0.000 0.991 418 S CB -0.320 62.902 63.200 0.037 0.000 0.544 418 S HN 0.601 nan 8.310 nan 0.000 0.369 419 K N 1.462 121.882 120.400 0.034 0.000 2.334 419 K HA 0.174 4.494 4.320 -0.001 0.000 0.195 419 K C 1.129 177.742 176.600 0.022 0.000 1.045 419 K CA 0.344 56.647 56.287 0.026 0.000 1.004 419 K CB 0.096 32.609 32.500 0.022 0.000 0.837 419 K HN 0.452 nan 8.250 nan 0.000 0.510 420 R N 0.464 120.978 120.500 0.024 0.000 2.997 420 R HA 0.277 4.616 4.340 -0.001 0.000 0.358 420 R C 0.434 176.748 176.300 0.023 0.000 1.191 420 R CA -0.146 55.969 56.100 0.026 0.000 1.113 420 R CB 1.021 31.341 30.300 0.034 0.000 1.433 420 R HN 0.047 nan 8.270 nan 0.000 0.584 421 A N -0.097 122.731 122.820 0.013 0.000 2.195 421 A HA 0.146 4.466 4.320 -0.001 0.000 0.210 421 A C 1.517 179.103 177.584 0.002 0.000 1.165 421 A CA 0.603 52.642 52.037 0.003 0.000 0.806 421 A CB 0.401 19.393 19.000 -0.013 0.000 0.847 421 A HN 0.403 nan 8.150 nan 0.000 0.482 422 G N -1.262 107.541 108.800 0.005 0.000 3.805 422 G HA2 0.298 4.258 3.960 -0.001 0.000 0.290 422 G HA3 0.298 4.258 3.960 -0.001 0.000 0.290 422 G C 0.348 175.253 174.900 0.008 0.000 1.077 422 G CA 0.667 45.770 45.100 0.004 0.000 0.852 422 G HN 0.315 nan 8.290 nan 0.000 0.531 423 D N 0.722 121.131 120.400 0.015 0.000 3.163 423 D HA -0.030 4.610 4.640 -0.001 0.000 0.228 423 D C 1.127 177.442 176.300 0.026 0.000 1.521 423 D CA -0.049 53.962 54.000 0.019 0.000 1.334 423 D CB 0.260 41.075 40.800 0.024 0.000 1.126 423 D HN 0.173 nan 8.370 nan 0.000 0.304 424 I N 2.315 122.914 120.570 0.049 0.000 2.818 424 I HA -0.210 3.960 4.170 -0.001 0.000 0.164 424 I C -0.490 175.651 176.117 0.041 0.000 0.901 424 I CA 0.188 61.539 61.300 0.084 0.000 2.707 424 I CB -0.785 37.288 38.000 0.121 0.000 0.628 424 I HN 0.049 nan 8.210 nan 0.000 0.354 425 Q N 6.686 126.494 119.800 0.013 0.000 2.340 425 Q HA 0.535 4.874 4.340 -0.001 0.000 0.259 425 Q C -0.458 175.383 176.000 -0.266 0.000 0.964 425 Q CA -0.777 54.968 55.803 -0.097 0.000 0.900 425 Q CB 1.714 30.392 28.738 -0.100 0.000 1.228 425 Q HN 0.695 nan 8.270 nan 0.000 0.449 426 L N 2.522 123.577 121.223 -0.280 0.000 2.418 426 L HA 0.119 4.458 4.340 -0.001 0.000 0.274 426 L C 0.572 177.012 176.870 -0.718 0.000 1.135 426 L CA -0.088 54.486 54.840 -0.443 0.000 0.870 426 L CB 0.121 42.036 42.059 -0.240 0.000 1.154 426 L HN 0.398 nan 8.230 nan 0.000 0.462 427 Q N 1.854 120.909 119.800 -1.242 0.000 2.221 427 Q HA 0.292 4.631 4.340 -0.001 0.000 0.242 427 Q C -1.213 174.382 176.000 -0.675 0.000 0.940 427 Q CA -0.346 54.873 55.803 -0.973 0.000 0.896 427 Q CB 0.942 29.005 28.738 -1.126 0.000 1.226 427 Q HN 0.285 nan 8.270 nan 0.000 0.463 428 Y N 0.918 121.034 120.300 -0.306 0.000 2.569 428 Y HA 0.309 4.860 4.550 0.000 0.000 0.332 428 Y C 1.429 177.294 175.900 -0.060 0.000 1.120 428 Y CA 1.345 59.354 58.100 -0.151 0.000 1.416 428 Y CB 0.557 38.946 38.460 -0.119 0.000 1.210 428 Y HN 0.825 nan 8.280 nan 0.000 0.528 429 G N 1.058 109.947 108.800 0.149 0.000 2.211 429 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.201 429 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.201 429 G C -0.391 174.709 174.900 0.333 0.000 0.997 429 G CA -0.897 44.330 45.100 0.211 0.000 0.652 429 G HN 0.464 nan 8.290 nan 0.000 0.500 430 W N 1.369 122.672 121.300 0.005 0.000 2.283 430 W HA 0.750 5.408 4.660 -0.003 0.000 0.341 430 W C 0.649 177.155 176.519 -0.020 0.000 1.206 430 W CA -0.858 56.482 57.345 -0.009 0.000 1.294 430 W CB 0.595 30.043 29.460 -0.021 0.000 1.154 430 W HN -0.050 nan 8.180 nan 0.000 0.613 431 K N 0.944 121.447 120.400 0.171 0.000 2.221 431 K HA 0.609 4.928 4.320 -0.001 0.000 0.258 431 K C -1.294 175.342 176.600 0.060 0.000 0.944 431 K CA -0.895 55.431 56.287 0.065 0.000 0.823 431 K CB 2.089 34.582 32.500 -0.011 0.000 1.113 431 K HN 0.080 nan 8.250 nan 0.000 0.431 432 V N 3.207 123.141 119.914 0.032 0.000 2.380 432 V HA 0.132 4.252 4.120 -0.001 0.000 0.286 432 V C -0.609 175.487 176.094 0.004 0.000 1.015 432 V CA -0.874 61.449 62.300 0.037 0.000 0.834 432 V CB 1.290 33.142 31.823 0.049 0.000 1.009 432 V HN 0.730 nan 8.190 nan 0.000 0.428 433 E N 5.433 125.641 120.200 0.014 0.000 2.129 433 E HA 0.358 4.707 4.350 -0.001 0.000 0.283 433 E C -0.160 176.425 176.600 -0.024 0.000 1.080 433 E CA -0.359 56.042 56.400 0.001 0.000 0.867 433 E CB 0.949 30.682 29.700 0.055 0.000 1.056 433 E HN 0.671 nan 8.360 nan 0.000 0.404 434 R N 1.947 122.437 120.500 -0.016 0.000 2.787 434 R HA 0.438 4.778 4.340 -0.001 0.000 0.271 434 R C 0.021 176.294 176.300 -0.045 0.000 0.993 434 R CA -0.962 55.085 56.100 -0.087 0.000 0.993 434 R CB 0.915 31.217 30.300 0.004 0.000 1.155 434 R HN 0.432 nan 8.270 nan 0.000 0.486 435 H N 1.115 120.236 119.070 0.085 0.000 2.771 435 H HA 0.121 4.675 4.556 -0.002 0.000 0.364 435 H C 0.490 175.891 175.328 0.121 0.000 1.133 435 H CA -0.028 56.086 56.048 0.112 0.000 1.423 435 H CB 0.581 30.392 29.762 0.081 0.000 1.425 435 H HN 0.419 nan 8.280 nan 0.000 0.606 436 I N 3.141 123.888 120.570 0.294 0.000 2.556 436 I HA 0.014 4.183 4.170 -0.001 0.000 0.284 436 I C 0.677 176.942 176.117 0.247 0.000 1.114 436 I CA 0.411 61.836 61.300 0.209 0.000 1.418 436 I CB 0.127 38.230 38.000 0.173 0.000 1.394 436 I HN 0.295 nan 8.210 nan 0.000 0.552 437 M N 3.499 123.196 119.600 0.163 0.000 2.792 437 M HA 0.420 4.900 4.480 -0.001 0.000 0.290 437 M C -0.598 175.769 176.300 0.111 0.000 1.155 437 M CA -0.919 54.490 55.300 0.181 0.000 0.781 437 M CB 0.724 33.392 32.600 0.113 0.000 1.741 437 M HN 0.303 nan 8.290 nan 0.000 0.473 438 D N 1.535 121.995 120.400 0.101 0.000 2.423 438 D HA 0.111 4.750 4.640 -0.001 0.000 0.238 438 D C -0.310 176.012 176.300 0.037 0.000 1.142 438 D CA 0.919 54.956 54.000 0.062 0.000 0.884 438 D CB 0.088 40.922 40.800 0.056 0.000 1.199 438 D HN 0.551 nan 8.370 nan 0.000 0.438 439 N N 1.323 120.038 118.700 0.025 0.000 2.740 439 N HA -0.164 4.576 4.740 -0.001 0.000 0.248 439 N C -1.230 174.275 175.510 -0.007 0.000 1.062 439 N CA 0.682 53.738 53.050 0.010 0.000 0.704 439 N CB -0.839 37.653 38.487 0.008 0.000 0.968 439 N HN 0.422 nan 8.380 nan 0.000 0.547 440 D N 0.248 120.643 120.400 -0.007 0.000 2.229 440 D HA 0.376 5.015 4.640 -0.001 0.000 0.249 440 D C -2.097 174.187 176.300 -0.026 0.000 1.027 440 D CA -1.317 52.657 54.000 -0.044 0.000 0.923 440 D CB 1.032 41.797 40.800 -0.059 0.000 1.174 440 D HN 0.053 nan 8.370 nan 0.000 0.443 441 P HA 0.113 nan 4.420 nan 0.000 0.287 441 P C -0.580 176.731 177.300 0.018 0.000 1.307 441 P CA -0.461 62.634 63.100 -0.010 0.000 0.777 441 P CB 0.862 32.546 31.700 -0.026 0.000 0.883 442 V N 2.618 122.570 119.914 0.064 0.000 2.864 442 V HA 0.582 4.701 4.120 -0.001 0.000 0.314 442 V C -0.534 175.661 176.094 0.168 0.000 1.073 442 V CA -1.394 60.968 62.300 0.103 0.000 0.956 442 V CB 2.012 33.895 31.823 0.099 0.000 1.023 442 V HN 0.286 nan 8.190 nan 0.000 0.435 443 L N 3.542 124.885 121.223 0.199 0.000 2.312 443 L HA 0.720 5.060 4.340 -0.001 0.000 0.281 443 L C -0.988 176.076 176.870 0.324 0.000 1.070 443 L CA -0.262 54.730 54.840 0.255 0.000 0.805 443 L CB 0.994 43.185 42.059 0.220 0.000 1.174 443 L HN 0.785 nan 8.230 nan 0.000 0.434 444 F N 6.732 126.758 119.950 0.127 0.000 2.745 444 F HA 0.439 4.965 4.527 -0.001 0.000 0.343 444 F C -0.499 175.301 175.800 -0.000 0.000 1.196 444 F CA -0.742 57.232 58.000 -0.044 0.000 1.021 444 F CB 0.786 39.696 39.000 -0.151 0.000 1.297 444 F HN 0.713 nan 8.300 nan 0.000 0.486 445 N N 4.672 123.168 118.700 -0.341 0.000 2.525 445 N HA 0.562 5.301 4.740 -0.001 0.000 0.288 445 N C -1.526 173.665 175.510 -0.531 0.000 1.242 445 N CA -0.687 52.206 53.050 -0.262 0.000 0.905 445 N CB 2.113 40.598 38.487 -0.004 0.000 1.258 445 N HN 0.605 nan 8.380 nan 0.000 0.551 446 R N 0.754 121.098 120.500 -0.259 0.000 2.533 446 R HA 0.233 4.572 4.340 -0.001 0.000 0.288 446 R C -1.296 174.954 176.300 -0.082 0.000 1.039 446 R CA -0.272 55.684 56.100 -0.239 0.000 0.909 446 R CB 1.241 31.398 30.300 -0.239 0.000 1.195 446 R HN 0.762 nan 8.270 nan 0.000 0.438 447 Q N 3.458 123.208 119.800 -0.085 0.000 2.230 447 Q HA 0.448 4.787 4.340 -0.001 0.000 0.248 447 Q C -2.004 173.973 176.000 -0.038 0.000 0.915 447 Q CA -1.715 54.062 55.803 -0.044 0.000 0.900 447 Q CB 1.386 30.101 28.738 -0.037 0.000 1.229 447 Q HN 0.397 nan 8.270 nan 0.000 0.439 448 P HA 0.158 nan 4.420 nan 0.000 0.277 448 P C -1.226 176.059 177.300 -0.024 0.000 1.240 448 P CA -0.576 62.509 63.100 -0.025 0.000 0.798 448 P CB 1.038 32.722 31.700 -0.027 0.000 0.979 449 S N 1.904 117.596 115.700 -0.013 0.000 2.665 449 S HA 0.236 4.705 4.470 -0.001 0.000 0.230 449 S C 0.162 174.753 174.600 -0.015 0.000 1.326 449 S CA -0.551 57.652 58.200 0.005 0.000 1.055 449 S CB -0.523 62.693 63.200 0.026 0.000 1.178 449 S HN 0.253 nan 8.310 nan 0.000 0.489 450 L N 0.119 121.298 121.223 -0.073 0.000 3.036 450 L HA 0.600 4.939 4.340 -0.001 0.000 0.237 450 L C -0.003 176.776 176.870 -0.153 0.000 1.319 450 L CA -0.195 54.574 54.840 -0.118 0.000 1.112 450 L CB -1.589 40.374 42.059 -0.160 0.000 1.480 450 L HN 0.541 nan 8.230 nan 0.000 0.506 451 H N -0.786 118.262 119.070 -0.036 0.000 2.981 451 H HA 0.316 4.872 4.556 -0.001 0.000 0.327 451 H C 0.135 175.434 175.328 -0.049 0.000 1.342 451 H CA -0.606 55.410 56.048 -0.054 0.000 1.123 451 H CB 2.169 31.899 29.762 -0.054 0.000 1.851 451 H HN 0.113 nan 8.280 nan 0.000 0.531 452 K N 0.324 120.756 120.400 0.055 0.000 2.262 452 K HA 0.051 4.370 4.320 -0.001 0.000 0.200 452 K C 0.952 177.531 176.600 -0.034 0.000 1.049 452 K CA 0.988 57.271 56.287 -0.006 0.000 0.979 452 K CB 0.200 32.674 32.500 -0.044 0.000 0.773 452 K HN 0.312 nan 8.250 nan 0.000 0.474 453 M N 1.542 121.070 119.600 -0.120 0.000 2.686 453 M HA 0.066 4.545 4.480 -0.001 0.000 0.246 453 M C 1.377 177.598 176.300 -0.132 0.000 1.096 453 M CA 0.728 55.907 55.300 -0.201 0.000 1.076 453 M CB 0.252 32.623 32.600 -0.381 0.000 1.504 453 M HN 0.069 nan 8.290 nan 0.000 0.524 454 S N -0.440 115.306 115.700 0.076 0.000 2.558 454 S HA 0.283 4.753 4.470 -0.001 0.000 0.217 454 S C 0.539 175.310 174.600 0.285 0.000 0.975 454 S CA 0.464 58.784 58.200 0.200 0.000 0.912 454 S CB 0.120 63.427 63.200 0.179 0.000 0.776 454 S HN 0.355 nan 8.310 nan 0.000 0.526 455 M N 1.560 121.270 119.600 0.182 0.000 2.151 455 M HA 0.491 4.970 4.480 -0.001 0.000 0.290 455 M C -1.297 175.110 176.300 0.178 0.000 0.965 455 M CA 0.192 55.620 55.300 0.213 0.000 0.930 455 M CB 1.979 34.656 32.600 0.128 0.000 1.560 455 M HN 0.046 nan 8.290 nan 0.000 0.438 456 M N 1.881 121.659 119.600 0.296 0.000 2.433 456 M HA 0.608 5.087 4.480 -0.001 0.000 0.290 456 M C -0.600 175.852 176.300 0.254 0.000 1.173 456 M CA -0.762 54.659 55.300 0.201 0.000 0.905 456 M CB 2.536 35.222 32.600 0.144 0.000 1.692 456 M HN 0.745 nan 8.290 nan 0.000 0.462 457 A N 2.312 125.176 122.820 0.073 0.000 2.440 457 A HA 0.502 4.821 4.320 -0.001 0.000 0.251 457 A C -0.819 176.713 177.584 -0.087 0.000 1.089 457 A CA 0.102 52.176 52.037 0.062 0.000 0.779 457 A CB 0.128 19.131 19.000 0.004 0.000 1.022 457 A HN 0.852 nan 8.150 nan 0.000 0.492 458 H N 1.367 120.446 119.070 0.014 0.000 2.690 458 H HA 0.313 4.869 4.556 -0.001 0.000 0.368 458 H C -0.540 174.764 175.328 -0.040 0.000 1.150 458 H CA -0.833 55.192 56.048 -0.037 0.000 1.174 458 H CB 1.551 31.236 29.762 -0.128 0.000 1.684 458 H HN 0.739 nan 8.280 nan 0.000 0.538 459 R N 0.992 121.530 120.500 0.062 0.000 2.442 459 R HA 0.189 4.529 4.340 -0.001 0.000 0.291 459 R C -0.252 176.068 176.300 0.034 0.000 1.069 459 R CA -0.470 55.650 56.100 0.034 0.000 1.022 459 R CB 0.430 30.741 30.300 0.018 0.000 0.976 459 R HN 0.194 nan 8.270 nan 0.000 0.443 460 V N 3.367 123.295 119.914 0.024 0.000 2.470 460 V HA 0.068 4.188 4.120 -0.001 0.000 0.276 460 V C 0.472 176.579 176.094 0.022 0.000 1.040 460 V CA -0.183 62.129 62.300 0.020 0.000 1.008 460 V CB 0.510 32.357 31.823 0.039 0.000 0.990 460 V HN 0.610 nan 8.190 nan 0.000 0.477 461 K N 4.520 124.926 120.400 0.009 0.000 2.240 461 K HA 0.543 4.862 4.320 -0.001 0.000 0.271 461 K C -0.758 175.840 176.600 -0.003 0.000 1.018 461 K CA -0.514 55.779 56.287 0.010 0.000 0.874 461 K CB 1.398 33.901 32.500 0.006 0.000 1.098 461 K HN 0.542 nan 8.250 nan 0.000 0.458 462 V N 6.070 125.978 119.914 -0.010 0.000 2.649 462 V HA 0.371 4.490 4.120 -0.001 0.000 0.292 462 V C 0.130 176.179 176.094 -0.075 0.000 1.055 462 V CA -0.434 61.821 62.300 -0.075 0.000 1.023 462 V CB 0.269 31.989 31.823 -0.172 0.000 0.992 462 V HN 0.753 nan 8.190 nan 0.000 0.480 463 I N 2.241 122.758 120.570 -0.088 0.000 2.918 463 I HA 0.687 4.856 4.170 -0.001 0.000 0.301 463 I C -2.863 173.235 176.117 -0.032 0.000 1.312 463 I CA -2.245 59.031 61.300 -0.039 0.000 1.007 463 I CB 2.290 40.281 38.000 -0.015 0.000 1.281 463 I HN 0.396 nan 8.210 nan 0.000 0.440 464 P HA 0.331 nan 4.420 nan 0.000 0.274 464 P C -1.103 176.336 177.300 0.232 0.000 1.246 464 P CA 0.297 63.426 63.100 0.050 0.000 0.795 464 P CB 0.412 32.174 31.700 0.102 0.000 1.006 465 Y N -2.106 118.140 120.300 -0.091 0.000 2.504 465 Y HA -0.237 4.314 4.550 0.002 0.000 0.025 465 Y C 1.606 177.432 175.900 -0.123 0.000 1.700 465 Y CA 0.523 58.568 58.100 -0.093 0.000 1.420 465 Y CB -1.978 36.433 38.460 -0.082 0.000 2.066 465 Y HN 0.329 nan 8.280 nan 0.000 0.254 466 S N -1.556 114.171 115.700 0.046 0.000 2.492 466 S HA 0.049 4.518 4.470 -0.001 0.000 0.218 466 S C 0.563 175.077 174.600 -0.143 0.000 1.016 466 S CA 0.466 58.622 58.200 -0.072 0.000 0.916 466 S CB 0.002 63.169 63.200 -0.054 0.000 0.791 466 S HN 0.800 nan 8.310 nan 0.000 0.513 467 T N 0.746 115.245 114.554 -0.091 0.000 2.899 467 T HA 0.470 4.820 4.350 -0.001 0.000 0.295 467 T C -0.318 174.282 174.700 -0.166 0.000 1.033 467 T CA -0.424 61.615 62.100 -0.101 0.000 1.084 467 T CB 0.051 68.895 68.868 -0.041 0.000 0.979 467 T HN -0.003 nan 8.240 nan 0.000 0.532 468 F N 1.712 121.672 119.950 0.017 0.000 2.424 468 F HA 0.389 4.916 4.527 0.000 0.000 0.356 468 F C 1.374 177.156 175.800 -0.031 0.000 1.110 468 F CA -0.691 57.316 58.000 0.011 0.000 1.161 468 F CB 0.753 39.836 39.000 0.139 0.000 1.115 468 F HN 0.381 nan 8.300 nan 0.000 0.507 469 R N 4.998 125.562 120.500 0.106 0.000 2.346 469 R HA 0.721 5.061 4.340 -0.001 0.000 0.311 469 R C -1.025 175.251 176.300 -0.040 0.000 0.983 469 R CA -0.894 55.199 56.100 -0.013 0.000 0.880 469 R CB 1.325 31.589 30.300 -0.061 0.000 1.100 469 R HN 0.539 nan 8.270 nan 0.000 0.453 470 L N -0.828 120.385 121.223 -0.018 0.000 2.301 470 L HA 0.558 4.897 4.340 -0.001 0.000 0.249 470 L C -0.410 176.506 176.870 0.077 0.000 1.069 470 L CA -1.076 53.773 54.840 0.015 0.000 0.865 470 L CB 0.932 43.023 42.059 0.052 0.000 1.467 470 L HN 0.365 nan 8.230 nan 0.000 0.419 471 N N 0.409 119.179 118.700 0.115 0.000 2.472 471 N HA 0.148 4.887 4.740 -0.001 0.000 0.277 471 N C 0.599 176.200 175.510 0.152 0.000 1.081 471 N CA -0.322 52.791 53.050 0.105 0.000 0.973 471 N CB 1.617 40.146 38.487 0.071 0.000 1.105 471 N HN 0.923 nan 8.380 nan 0.000 0.470 472 L N 3.468 124.779 121.223 0.147 0.000 2.353 472 L HA -0.023 4.316 4.340 -0.001 0.000 0.220 472 L C 1.587 178.537 176.870 0.134 0.000 1.133 472 L CA 1.450 56.412 54.840 0.203 0.000 0.798 472 L CB -0.080 42.081 42.059 0.170 0.000 0.922 472 L HN 0.483 nan 8.230 nan 0.000 0.445 473 S N -1.970 113.768 115.700 0.064 0.000 2.548 473 S HA 0.101 4.570 4.470 -0.001 0.000 0.215 473 S C 1.203 175.732 174.600 -0.118 0.000 0.976 473 S CA 0.603 58.784 58.200 -0.031 0.000 0.908 473 S CB 0.413 63.560 63.200 -0.089 0.000 0.781 473 S HN 0.297 nan 8.310 nan 0.000 0.519 474 V N 1.133 121.043 119.914 -0.007 0.000 3.376 474 V HA 0.126 4.245 4.120 -0.001 0.000 0.313 474 V C 1.789 177.987 176.094 0.174 0.000 1.393 474 V CA 0.566 62.884 62.300 0.030 0.000 1.125 474 V CB -0.228 31.671 31.823 0.127 0.000 1.037 474 V HN 0.392 nan 8.190 nan 0.000 0.440 475 T N 0.549 115.185 114.554 0.137 0.000 2.720 475 T HA -0.169 4.180 4.350 -0.001 0.000 0.268 475 T C 1.980 176.735 174.700 0.092 0.000 1.037 475 T CA 2.505 64.677 62.100 0.121 0.000 1.144 475 T CB -0.012 68.874 68.868 0.030 0.000 0.864 475 T HN 0.812 nan 8.240 nan 0.000 0.444 476 S N 0.605 116.326 115.700 0.034 0.000 2.470 476 S HA 0.129 4.599 4.470 -0.001 0.000 0.222 476 S C -0.449 174.157 174.600 0.011 0.000 1.024 476 S CA -0.057 58.156 58.200 0.022 0.000 0.931 476 S CB -1.002 62.205 63.200 0.012 0.000 0.791 476 S HN 0.449 nan 8.310 nan 0.000 0.513 477 P HA -0.051 nan 4.420 nan 0.000 0.222 477 P C 0.444 177.721 177.300 -0.039 0.000 1.147 477 P CA 1.032 64.062 63.100 -0.116 0.000 0.790 477 P CB -0.241 31.273 31.700 -0.311 0.000 0.780 478 Y N -0.536 119.797 120.300 0.054 0.000 2.510 478 Y HA 0.119 4.669 4.550 -0.000 0.000 0.273 478 Y C 1.123 177.020 175.900 -0.005 0.000 1.119 478 Y CA -0.247 57.872 58.100 0.032 0.000 1.286 478 Y CB -1.198 37.280 38.460 0.029 0.000 1.061 478 Y HN -0.024 nan 8.280 nan 0.000 0.542 479 N N -0.107 118.678 118.700 0.142 0.000 2.716 479 N HA -0.199 4.540 4.740 -0.001 0.000 0.250 479 N C -0.682 174.827 175.510 -0.000 0.000 1.033 479 N CA 0.587 53.665 53.050 0.046 0.000 0.727 479 N CB -0.811 37.690 38.487 0.023 0.000 0.950 479 N HN 0.330 nan 8.380 nan 0.000 0.541 480 A N -0.116 122.696 122.820 -0.014 0.000 2.299 480 A HA 0.760 5.079 4.320 -0.001 0.000 0.332 480 A C -0.302 177.123 177.584 -0.264 0.000 1.131 480 A CA -0.431 51.544 52.037 -0.103 0.000 0.844 480 A CB 1.042 19.991 19.000 -0.085 0.000 1.251 480 A HN 0.399 nan 8.150 nan 0.000 0.486 481 D N -1.157 119.044 120.400 -0.332 0.000 2.610 481 D HA 0.461 5.101 4.640 -0.001 0.000 0.271 481 D C -0.862 175.155 176.300 -0.473 0.000 1.174 481 D CA -0.162 53.524 54.000 -0.523 0.000 0.949 481 D CB 0.853 41.508 40.800 -0.242 0.000 1.430 481 D HN 0.242 nan 8.370 nan 0.000 0.467 482 F N 0.528 120.489 119.950 0.018 0.000 2.641 482 F HA 0.068 4.595 4.527 -0.001 0.000 0.302 482 F C 1.846 177.650 175.800 0.007 0.000 1.098 482 F CA -0.546 57.463 58.000 0.015 0.000 1.318 482 F CB -0.157 38.852 39.000 0.015 0.000 1.035 482 F HN 0.238 nan 8.300 nan 0.000 0.551 483 D N -0.034 120.422 120.400 0.093 0.000 2.350 483 D HA -0.022 4.618 4.640 -0.001 0.000 0.216 483 D C 1.564 177.896 176.300 0.052 0.000 0.968 483 D CA 1.374 55.408 54.000 0.057 0.000 0.894 483 D CB 0.208 41.016 40.800 0.013 0.000 0.909 483 D HN 0.413 nan 8.370 nan 0.000 0.520 484 G N 0.550 109.389 108.800 0.066 0.000 3.216 484 G HA2 -0.115 3.845 3.960 -0.001 0.000 0.221 484 G HA3 -0.115 3.845 3.960 -0.001 0.000 0.221 484 G C -0.766 174.162 174.900 0.047 0.000 0.949 484 G CA -0.491 44.644 45.100 0.058 0.000 0.952 484 G HN 0.132 nan 8.290 nan 0.000 0.657 485 D N 0.988 121.414 120.400 0.044 0.000 2.423 485 D HA 0.422 5.062 4.640 -0.001 0.000 0.238 485 D C 0.455 176.774 176.300 0.032 0.000 1.142 485 D CA 0.646 54.655 54.000 0.015 0.000 0.884 485 D CB 1.052 41.841 40.800 -0.019 0.000 1.199 485 D HN 0.361 nan 8.370 nan 0.000 0.438 486 E N 0.731 120.930 120.200 -0.002 0.000 2.191 486 E HA 0.475 4.825 4.350 -0.001 0.000 0.274 486 E C -0.659 175.898 176.600 -0.070 0.000 0.948 486 E CA -0.640 55.765 56.400 0.008 0.000 0.802 486 E CB 1.203 30.907 29.700 0.006 0.000 1.137 486 E HN 0.310 nan 8.360 nan 0.000 0.397 487 M N 2.326 121.872 119.600 -0.090 0.000 2.530 487 M HA 0.412 4.891 4.480 -0.001 0.000 0.307 487 M C -0.864 175.140 176.300 -0.492 0.000 1.161 487 M CA -1.051 54.014 55.300 -0.392 0.000 0.903 487 M CB 1.879 34.085 32.600 -0.656 0.000 1.711 487 M HN 0.392 nan 8.290 nan 0.000 0.451 488 N N 1.870 120.206 118.700 -0.607 0.000 2.489 488 N HA 0.781 5.520 4.740 -0.001 0.000 0.284 488 N C -1.487 173.636 175.510 -0.646 0.000 1.158 488 N CA -0.481 52.263 53.050 -0.510 0.000 0.965 488 N CB 1.774 40.054 38.487 -0.346 0.000 1.195 488 N HN 0.597 nan 8.380 nan 0.000 0.506 489 L N 0.508 121.437 121.223 -0.490 0.000 2.455 489 L HA 0.456 4.796 4.340 -0.001 0.000 0.264 489 L C -1.503 175.169 176.870 -0.331 0.000 0.968 489 L CA -0.573 54.111 54.840 -0.261 0.000 0.827 489 L CB 1.543 43.568 42.059 -0.056 0.000 1.317 489 L HN 0.531 nan 8.230 nan 0.000 0.407 490 H N 3.299 122.433 119.070 0.106 0.000 2.690 490 H HA 0.648 5.204 4.556 -0.001 0.000 0.368 490 H C -1.268 174.136 175.328 0.125 0.000 1.150 490 H CA -0.646 55.473 56.048 0.119 0.000 1.174 490 H CB 2.533 32.349 29.762 0.091 0.000 1.684 490 H HN 0.367 nan 8.280 nan 0.000 0.538 491 V N 3.659 123.730 119.914 0.262 0.000 2.444 491 V HA 0.248 4.367 4.120 -0.001 0.000 0.294 491 V C -2.111 174.034 176.094 0.085 0.000 1.022 491 V CA -1.696 60.695 62.300 0.152 0.000 0.850 491 V CB 1.705 33.608 31.823 0.132 0.000 0.992 491 V HN 0.598 nan 8.190 nan 0.000 0.426 492 P HA 0.221 nan 4.420 nan 0.000 0.272 492 P C -0.596 176.744 177.300 0.067 0.000 1.230 492 P CA -0.077 63.055 63.100 0.053 0.000 0.788 492 P CB 1.139 32.866 31.700 0.044 0.000 0.949 493 Q N -0.779 119.049 119.800 0.047 0.000 2.164 493 Q HA 0.228 4.568 4.340 -0.001 0.000 0.226 493 Q C -0.103 175.926 176.000 0.048 0.000 0.813 493 Q CA 0.204 56.004 55.803 -0.005 0.000 0.978 493 Q CB 0.639 29.248 28.738 -0.215 0.000 1.149 493 Q HN 0.367 nan 8.270 nan 0.000 0.489 494 S N 0.591 116.374 115.700 0.138 0.000 2.536 494 S HA 0.274 4.744 4.470 -0.001 0.000 0.298 494 S C 0.937 175.652 174.600 0.193 0.000 1.083 494 S CA -0.655 57.620 58.200 0.125 0.000 0.995 494 S CB 2.321 65.553 63.200 0.053 0.000 1.058 494 S HN -0.015 nan 8.310 nan 0.000 0.488 495 E N 2.149 122.461 120.200 0.187 0.000 2.114 495 E HA -0.238 4.112 4.350 -0.001 0.000 0.199 495 E C 1.833 178.477 176.600 0.073 0.000 1.008 495 E CA 1.838 58.320 56.400 0.138 0.000 0.810 495 E CB -0.115 29.655 29.700 0.117 0.000 0.739 495 E HN 0.877 nan 8.360 nan 0.000 0.456 496 E N -0.326 119.911 120.200 0.061 0.000 2.152 496 E HA -0.080 4.269 4.350 -0.001 0.000 0.192 496 E C 1.860 178.478 176.600 0.031 0.000 0.983 496 E CA 1.339 57.762 56.400 0.040 0.000 0.818 496 E CB -0.337 29.383 29.700 0.033 0.000 0.758 496 E HN 0.035 nan 8.360 nan 0.000 0.467 497 T N 1.170 115.747 114.554 0.038 0.000 2.812 497 T HA -0.039 4.310 4.350 -0.001 0.000 0.264 497 T C 1.820 176.532 174.700 0.021 0.000 1.042 497 T CA 1.036 63.153 62.100 0.029 0.000 1.140 497 T CB -0.165 68.725 68.868 0.038 0.000 0.870 497 T HN 0.159 nan 8.240 nan 0.000 0.445 498 R N 1.326 121.837 120.500 0.018 0.000 2.133 498 R HA -0.106 4.234 4.340 -0.001 0.000 0.247 498 R C 2.762 179.056 176.300 -0.011 0.000 1.151 498 R CA 1.462 57.550 56.100 -0.019 0.000 0.971 498 R CB -0.570 29.691 30.300 -0.065 0.000 0.866 498 R HN 0.403 nan 8.270 nan 0.000 0.447 499 A N 1.265 124.087 122.820 0.003 0.000 1.841 499 A HA -0.182 4.137 4.320 -0.001 0.000 0.214 499 A C 1.742 179.328 177.584 0.003 0.000 1.195 499 A CA 1.132 53.170 52.037 0.003 0.000 0.611 499 A CB -0.385 18.623 19.000 0.013 0.000 0.835 499 A HN 0.381 nan 8.150 nan 0.000 0.443 500 E N -0.460 119.744 120.200 0.007 0.000 2.379 500 E HA 0.094 4.444 4.350 -0.001 0.000 0.209 500 E C 0.422 177.024 176.600 0.002 0.000 1.284 500 E CA -0.105 56.297 56.400 0.004 0.000 1.333 500 E CB -0.063 29.639 29.700 0.004 0.000 1.307 500 E HN 0.400 nan 8.360 nan 0.000 0.441 501 L N -0.289 120.936 121.223 0.002 0.000 2.658 501 L HA 0.061 4.400 4.340 -0.001 0.000 0.222 501 L C 1.874 178.743 176.870 -0.002 0.000 1.033 501 L CA 1.109 55.954 54.840 0.008 0.000 0.949 501 L CB -0.297 41.771 42.059 0.015 0.000 1.698 501 L HN 0.242 nan 8.230 nan 0.000 0.498 502 S N -1.572 114.122 115.700 -0.009 0.000 2.535 502 S HA 0.056 4.525 4.470 -0.001 0.000 0.214 502 S C 1.217 175.805 174.600 -0.020 0.000 0.980 502 S CA -0.062 58.127 58.200 -0.018 0.000 0.907 502 S CB 0.358 63.546 63.200 -0.019 0.000 0.790 502 S HN 0.333 nan 8.310 nan 0.000 0.510 503 Q N -0.143 119.647 119.800 -0.016 0.000 2.378 503 Q HA 0.426 4.766 4.340 -0.001 0.000 0.229 503 Q C 1.006 176.993 176.000 -0.022 0.000 0.882 503 Q CA 0.349 56.141 55.803 -0.017 0.000 0.936 503 Q CB 0.161 28.892 28.738 -0.012 0.000 1.092 503 Q HN 0.451 nan 8.270 nan 0.000 0.535 504 L N -1.472 119.738 121.223 -0.021 0.000 2.641 504 L HA 0.106 4.445 4.340 -0.001 0.000 0.207 504 L C 1.353 178.206 176.870 -0.027 0.000 1.049 504 L CA 0.854 55.680 54.840 -0.024 0.000 0.866 504 L CB 0.214 42.262 42.059 -0.019 0.000 1.264 504 L HN 0.035 nan 8.230 nan 0.000 0.483 505 C N 0.392 119.679 119.300 -0.021 0.000 2.780 505 C HA 0.668 5.128 4.460 -0.001 0.000 0.287 505 C C 1.214 176.182 174.990 -0.036 0.000 1.288 505 C CA -1.199 57.807 59.018 -0.020 0.000 1.713 505 C CB -1.503 26.242 27.740 0.008 0.000 1.955 505 C HN 0.315 nan 8.230 nan 0.000 0.613 506 A N 1.064 123.855 122.820 -0.049 0.000 2.498 506 A HA 0.367 4.687 4.320 -0.001 0.000 0.239 506 A C 1.385 178.899 177.584 -0.116 0.000 1.068 506 A CA 0.174 52.164 52.037 -0.079 0.000 0.766 506 A CB 0.355 19.319 19.000 -0.060 0.000 1.003 506 A HN 0.257 nan 8.150 nan 0.000 0.497 507 V N 3.626 123.426 119.914 -0.190 0.000 2.332 507 V HA -0.174 3.945 4.120 -0.001 0.000 0.248 507 V C -0.414 175.593 176.094 -0.146 0.000 1.055 507 V CA 2.706 64.876 62.300 -0.217 0.000 1.038 507 V CB -1.462 30.147 31.823 -0.356 0.000 0.651 507 V HN 0.816 nan 8.190 nan 0.000 0.450 508 P HA -0.106 nan 4.420 nan 0.000 0.217 508 P C 1.628 178.897 177.300 -0.053 0.000 1.150 508 P CA 1.155 64.222 63.100 -0.055 0.000 0.832 508 P CB -0.089 31.595 31.700 -0.027 0.000 0.787 509 L N -0.917 120.270 121.223 -0.060 0.000 2.622 509 L HA -0.067 4.272 4.340 -0.001 0.000 0.233 509 L C 1.701 178.525 176.870 -0.076 0.000 1.156 509 L CA 1.133 55.940 54.840 -0.055 0.000 0.866 509 L CB -0.507 41.525 42.059 -0.045 0.000 0.980 509 L HN -0.050 nan 8.230 nan 0.000 0.448 510 Q N -1.463 118.278 119.800 -0.098 0.000 2.149 510 Q HA 0.270 4.610 4.340 -0.001 0.000 0.221 510 Q C 1.892 177.812 176.000 -0.133 0.000 0.807 510 Q CA 0.145 55.874 55.803 -0.123 0.000 1.000 510 Q CB 0.956 29.607 28.738 -0.146 0.000 1.157 510 Q HN 0.498 nan 8.270 nan 0.000 0.487 511 I N -0.302 120.204 120.570 -0.106 0.000 2.233 511 I HA -0.072 4.097 4.170 -0.001 0.000 0.243 511 I C 0.787 176.847 176.117 -0.096 0.000 1.093 511 I CA 0.743 61.995 61.300 -0.080 0.000 1.380 511 I CB 0.286 38.287 38.000 0.001 0.000 1.067 511 I HN -0.168 nan 8.210 nan 0.000 0.413 512 V N 2.636 122.467 119.914 -0.139 0.000 2.372 512 V HA 0.047 4.167 4.120 -0.001 0.000 0.261 512 V C 0.494 176.491 176.094 -0.163 0.000 1.055 512 V CA -0.141 62.038 62.300 -0.201 0.000 0.930 512 V CB 0.792 32.425 31.823 -0.318 0.000 1.031 512 V HN 0.332 nan 8.190 nan 0.000 0.479 513 S N 8.557 124.180 115.700 -0.128 0.000 2.565 513 S HA 0.380 4.849 4.470 -0.001 0.000 0.274 513 S C -0.964 173.596 174.600 -0.067 0.000 1.309 513 S CA -1.122 57.008 58.200 -0.117 0.000 1.043 513 S CB 1.508 64.627 63.200 -0.135 0.000 0.939 513 S HN 0.593 nan 8.310 nan 0.000 0.504 514 P HA -0.109 nan 4.420 nan 0.000 0.225 514 P C 1.321 178.722 177.300 0.168 0.000 1.156 514 P CA 0.812 63.944 63.100 0.053 0.000 0.787 514 P CB 0.075 31.816 31.700 0.068 0.000 0.802 515 Q N 0.585 120.422 119.800 0.061 0.000 2.096 515 Q HA -0.079 4.260 4.340 -0.001 0.000 0.204 515 Q C 0.650 176.706 176.000 0.094 0.000 0.982 515 Q CA 1.608 57.445 55.803 0.055 0.000 0.850 515 Q CB -0.070 28.622 28.738 -0.076 0.000 0.901 515 Q HN 0.087 nan 8.270 nan 0.000 0.422 516 S N 0.862 116.577 115.700 0.026 0.000 2.977 516 S HA 0.094 4.564 4.470 -0.001 0.000 0.250 516 S C -0.747 173.905 174.600 0.085 0.000 1.005 516 S CA 0.039 58.228 58.200 -0.019 0.000 1.081 516 S CB 0.200 63.405 63.200 0.008 0.000 1.018 516 S HN 0.707 nan 8.310 nan 0.000 0.539 517 N N 2.184 120.940 118.700 0.094 0.000 2.712 517 N HA -0.311 4.429 4.740 -0.001 0.000 0.261 517 N C -0.417 175.234 175.510 0.234 0.000 0.950 517 N CA 1.447 54.587 53.050 0.151 0.000 0.821 517 N CB -1.505 37.091 38.487 0.182 0.000 0.919 517 N HN 0.708 nan 8.380 nan 0.000 0.551 518 K N -4.232 116.255 120.400 0.145 0.000 2.533 518 K HA 0.679 4.998 4.320 -0.001 0.000 0.284 518 K C -3.338 173.257 176.600 -0.010 0.000 1.025 518 K CA -2.108 54.281 56.287 0.170 0.000 0.900 518 K CB 1.188 33.832 32.500 0.241 0.000 1.519 518 K HN -0.137 nan 8.250 nan 0.000 0.432 519 P HA 0.012 nan 4.420 nan 0.000 0.272 519 P C 0.329 177.627 177.300 -0.003 0.000 1.240 519 P CA -0.519 62.558 63.100 -0.040 0.000 0.791 519 P CB 0.648 32.358 31.700 0.017 0.000 0.978 520 C N -1.023 118.258 119.300 -0.032 0.000 3.188 520 C HA 0.423 4.883 4.460 -0.001 0.000 0.315 520 C C 0.942 175.917 174.990 -0.024 0.000 1.285 520 C CA -0.302 58.693 59.018 -0.038 0.000 1.729 520 C CB -0.971 26.706 27.740 -0.105 0.000 2.257 520 C HN 0.357 nan 8.230 nan 0.000 0.645 521 M N 1.689 121.280 119.600 -0.016 0.000 2.472 521 M HA 0.680 5.159 4.480 -0.001 0.000 0.331 521 M C 0.326 176.724 176.300 0.164 0.000 1.170 521 M CA 0.375 55.655 55.300 -0.033 0.000 1.009 521 M CB 1.798 34.249 32.600 -0.248 0.000 1.672 521 M HN 0.417 nan 8.290 nan 0.000 0.453 522 G N 1.214 110.132 108.800 0.196 0.000 2.911 522 G HA2 0.736 4.695 3.960 -0.001 0.000 0.299 522 G HA3 0.736 4.695 3.960 -0.001 0.000 0.299 522 G C -1.726 173.405 174.900 0.384 0.000 1.283 522 G CA -0.645 44.669 45.100 0.356 0.000 0.805 522 G HN 0.498 nan 8.290 nan 0.000 0.548 523 I N 0.307 121.023 120.570 0.243 0.000 2.385 523 I HA 0.550 4.719 4.170 -0.001 0.000 0.294 523 I C -0.198 175.984 176.117 0.109 0.000 0.988 523 I CA -0.299 61.103 61.300 0.170 0.000 1.265 523 I CB 1.753 39.813 38.000 0.101 0.000 1.388 523 I HN 0.200 nan 8.210 nan 0.000 0.480 524 V N 5.687 125.660 119.914 0.099 0.000 2.888 524 V HA 0.527 4.647 4.120 -0.001 0.000 0.309 524 V C 0.053 176.193 176.094 0.077 0.000 1.114 524 V CA -0.646 61.701 62.300 0.079 0.000 0.940 524 V CB 1.402 33.271 31.823 0.077 0.000 1.021 524 V HN 0.909 nan 8.190 nan 0.000 0.426 525 Q N 0.704 120.546 119.800 0.071 0.000 1.622 525 Q HA -0.296 4.044 4.340 -0.001 0.000 0.329 525 Q C 0.853 176.903 176.000 0.083 0.000 0.810 525 Q CA 1.699 57.551 55.803 0.082 0.000 0.907 525 Q CB -1.048 27.743 28.738 0.089 0.000 3.016 525 Q HN 0.908 nan 8.270 nan 0.000 0.630 526 D N 0.146 120.601 120.400 0.091 0.000 2.106 526 D HA -0.109 4.531 4.640 -0.001 0.000 0.191 526 D C 1.906 178.244 176.300 0.063 0.000 0.997 526 D CA 2.401 56.453 54.000 0.087 0.000 0.834 526 D CB -0.574 40.272 40.800 0.077 0.000 0.956 526 D HN 0.550 nan 8.370 nan 0.000 0.448 527 T N 0.966 115.556 114.554 0.061 0.000 2.915 527 T HA -0.076 4.273 4.350 -0.001 0.000 0.269 527 T C 1.832 176.552 174.700 0.035 0.000 1.071 527 T CA 0.276 62.407 62.100 0.051 0.000 1.132 527 T CB 0.017 68.920 68.868 0.059 0.000 0.878 527 T HN 0.076 nan 8.240 nan 0.000 0.479 528 L N 0.723 121.968 121.223 0.037 0.000 2.102 528 L HA 0.075 4.414 4.340 -0.001 0.000 0.202 528 L C 2.679 179.544 176.870 -0.009 0.000 1.076 528 L CA 1.410 56.261 54.840 0.019 0.000 0.761 528 L CB -0.989 41.091 42.059 0.034 0.000 0.921 528 L HN 0.437 nan 8.230 nan 0.000 0.444 529 C N 0.063 119.356 119.300 -0.011 0.000 2.446 529 C HA 0.049 4.508 4.460 -0.001 0.000 0.279 529 C C 2.719 177.647 174.990 -0.103 0.000 1.366 529 C CA 0.646 59.618 59.018 -0.077 0.000 1.763 529 C CB -1.218 26.470 27.740 -0.086 0.000 1.929 529 C HN 0.621 nan 8.230 nan 0.000 0.509 530 G N 0.001 108.791 108.800 -0.017 0.000 2.453 530 G HA2 0.000 3.960 3.960 -0.001 0.000 0.215 530 G HA3 0.000 3.960 3.960 -0.001 0.000 0.215 530 G C 1.601 176.516 174.900 0.026 0.000 1.147 530 G CA 0.678 45.831 45.100 0.089 0.000 0.802 530 G HN 0.559 nan 8.290 nan 0.000 0.535 531 I N 0.117 120.662 120.570 -0.041 0.000 2.142 531 I HA -0.132 4.038 4.170 -0.001 0.000 0.240 531 I C 2.846 178.868 176.117 -0.157 0.000 1.078 531 I CA 1.045 62.276 61.300 -0.114 0.000 1.343 531 I CB -0.150 37.802 38.000 -0.080 0.000 1.046 531 I HN 0.142 nan 8.210 nan 0.000 0.405 532 R N 1.081 121.514 120.500 -0.112 0.000 2.113 532 R HA -0.261 4.078 4.340 -0.001 0.000 0.244 532 R C 2.254 178.469 176.300 -0.141 0.000 1.142 532 R CA 1.907 57.940 56.100 -0.112 0.000 0.953 532 R CB -0.186 30.063 30.300 -0.085 0.000 0.860 532 R HN 0.355 nan 8.270 nan 0.000 0.438 533 K N 0.177 120.502 120.400 -0.125 0.000 2.097 533 K HA -0.162 4.158 4.320 -0.001 0.000 0.206 533 K C 2.122 178.533 176.600 -0.315 0.000 1.049 533 K CA 1.217 57.461 56.287 -0.072 0.000 0.933 533 K CB -0.179 32.431 32.500 0.183 0.000 0.717 533 K HN 0.181 nan 8.250 nan 0.000 0.442 534 L N 0.743 121.561 121.223 -0.674 0.000 2.217 534 L HA -0.086 4.254 4.340 -0.001 0.000 0.211 534 L C 1.820 178.366 176.870 -0.540 0.000 1.107 534 L CA 1.531 55.740 54.840 -1.052 0.000 0.783 534 L CB -0.077 41.322 42.059 -1.100 0.000 0.919 534 L HN 0.014 nan 8.230 nan 0.000 0.442 535 T N -0.117 114.228 114.554 -0.348 0.000 3.054 535 T HA 0.155 4.504 4.350 -0.001 0.000 0.259 535 T C 0.855 175.436 174.700 -0.199 0.000 1.092 535 T CA -0.306 61.650 62.100 -0.239 0.000 1.121 535 T CB -0.246 68.514 68.868 -0.180 0.000 0.912 535 T HN 0.073 nan 8.240 nan 0.000 0.489 536 L N 2.043 123.151 121.223 -0.192 0.000 2.605 536 L HA -0.033 4.306 4.340 -0.001 0.000 0.296 536 L C 1.915 178.660 176.870 -0.207 0.000 1.255 536 L CA 0.041 54.789 54.840 -0.153 0.000 0.879 536 L CB 0.456 42.446 42.059 -0.115 0.000 1.124 536 L HN 0.116 nan 8.230 nan 0.000 0.507 537 R N 1.361 121.760 120.500 -0.168 0.000 2.105 537 R HA -0.158 4.182 4.340 -0.001 0.000 0.239 537 R C 1.093 177.155 176.300 -0.397 0.000 1.135 537 R CA 1.445 57.414 56.100 -0.218 0.000 0.967 537 R CB -0.180 30.064 30.300 -0.093 0.000 0.861 537 R HN 0.698 nan 8.270 nan 0.000 0.442 538 D N 0.250 120.492 120.400 -0.264 0.000 2.350 538 D HA -0.046 4.594 4.640 -0.001 0.000 0.216 538 D C 0.097 176.192 176.300 -0.342 0.000 0.968 538 D CA 0.869 54.725 54.000 -0.240 0.000 0.894 538 D CB 0.033 40.797 40.800 -0.060 0.000 0.909 538 D HN 0.071 nan 8.370 nan 0.000 0.520 539 T N 1.684 116.003 114.554 -0.391 0.000 2.776 539 T HA 0.166 4.515 4.350 -0.001 0.000 0.292 539 T C -0.244 174.229 174.700 -0.379 0.000 0.921 539 T CA -0.147 61.805 62.100 -0.248 0.000 1.038 539 T CB -0.275 68.467 68.868 -0.209 0.000 0.910 539 T HN -0.182 nan 8.240 nan 0.000 0.536 540 F N 4.325 124.340 119.950 0.109 0.000 2.427 540 F HA 0.506 5.032 4.527 -0.001 0.000 0.348 540 F C 0.395 176.299 175.800 0.174 0.000 1.125 540 F CA -2.096 55.980 58.000 0.127 0.000 0.989 540 F CB 0.878 39.941 39.000 0.104 0.000 1.165 540 F HN 0.413 nan 8.300 nan 0.000 0.442 541 I N 0.971 121.785 120.570 0.407 0.000 2.412 541 I HA 0.660 4.829 4.170 -0.001 0.000 0.296 541 I C -0.430 175.879 176.117 0.321 0.000 0.987 541 I CA -0.816 60.679 61.300 0.325 0.000 1.180 541 I CB 1.755 39.928 38.000 0.288 0.000 1.340 541 I HN 0.609 nan 8.210 nan 0.000 0.455 542 E N 4.830 125.173 120.200 0.238 0.000 2.254 542 E HA 0.245 4.594 4.350 -0.001 0.000 0.261 542 E C 0.660 177.324 176.600 0.107 0.000 1.051 542 E CA -0.881 55.659 56.400 0.233 0.000 0.902 542 E CB 1.691 31.497 29.700 0.177 0.000 1.168 542 E HN 0.620 nan 8.360 nan 0.000 0.423 543 L N 1.816 123.111 121.223 0.120 0.000 2.017 543 L HA -0.363 3.976 4.340 -0.001 0.000 0.234 543 L C 1.962 178.759 176.870 -0.122 0.000 1.097 543 L CA 2.968 57.770 54.840 -0.064 0.000 0.816 543 L CB -1.046 41.060 42.059 0.078 0.000 0.914 543 L HN 0.925 nan 8.230 nan 0.000 0.444 544 D N -1.543 118.838 120.400 -0.031 0.000 2.133 544 D HA -0.329 4.310 4.640 -0.001 0.000 0.195 544 D C 1.971 178.258 176.300 -0.021 0.000 0.997 544 D CA 1.927 55.911 54.000 -0.026 0.000 0.840 544 D CB -0.413 40.387 40.800 -0.000 0.000 0.947 544 D HN 0.713 nan 8.370 nan 0.000 0.452 545 Q N 0.525 120.327 119.800 0.004 0.000 2.083 545 Q HA -0.075 4.264 4.340 -0.001 0.000 0.198 545 Q C 2.520 178.537 176.000 0.028 0.000 0.969 545 Q CA 0.779 56.627 55.803 0.076 0.000 0.838 545 Q CB 0.225 29.034 28.738 0.117 0.000 0.900 545 Q HN 0.147 nan 8.270 nan 0.000 0.436 546 V N 1.036 120.877 119.914 -0.121 0.000 2.490 546 V HA -0.265 3.855 4.120 -0.001 0.000 0.250 546 V C 2.106 177.996 176.094 -0.341 0.000 1.061 546 V CA 1.425 63.545 62.300 -0.301 0.000 1.064 546 V CB -0.448 30.954 31.823 -0.701 0.000 0.670 546 V HN 0.389 nan 8.190 nan 0.000 0.461 547 L N -0.262 120.791 121.223 -0.283 0.000 2.240 547 L HA -0.052 4.287 4.340 -0.001 0.000 0.211 547 L C 2.366 179.111 176.870 -0.208 0.000 1.106 547 L CA 1.003 55.686 54.840 -0.262 0.000 0.793 547 L CB -0.639 41.314 42.059 -0.177 0.000 0.927 547 L HN 0.356 nan 8.230 nan 0.000 0.446 548 N N 0.158 118.782 118.700 -0.126 0.000 2.171 548 N HA -0.094 4.645 4.740 -0.001 0.000 0.184 548 N C 1.941 177.324 175.510 -0.210 0.000 1.021 548 N CA 1.287 54.270 53.050 -0.112 0.000 0.854 548 N CB -0.063 38.431 38.487 0.013 0.000 0.994 548 N HN 0.345 nan 8.380 nan 0.000 0.426 549 M N 0.452 119.896 119.600 -0.260 0.000 2.065 549 M HA -0.159 4.320 4.480 -0.001 0.000 0.259 549 M C 1.897 178.040 176.300 -0.262 0.000 1.069 549 M CA 1.229 56.385 55.300 -0.239 0.000 1.110 549 M CB -0.458 32.069 32.600 -0.120 0.000 1.328 549 M HN 0.050 nan 8.290 nan 0.000 0.405 550 L N -0.330 120.618 121.223 -0.459 0.000 1.997 550 L HA -0.257 4.082 4.340 -0.001 0.000 0.216 550 L C 2.497 178.916 176.870 -0.753 0.000 1.074 550 L CA 2.102 56.391 54.840 -0.918 0.000 0.763 550 L CB -1.689 39.548 42.059 -1.370 0.000 0.890 550 L HN 0.322 nan 8.230 nan 0.000 0.434 551 Y N -2.068 117.874 120.300 -0.598 0.000 2.497 551 Y HA -0.236 4.314 4.550 -0.001 0.000 0.292 551 Y C 2.172 177.935 175.900 -0.228 0.000 1.137 551 Y CA 0.556 58.462 58.100 -0.324 0.000 1.285 551 Y CB -0.508 37.795 38.460 -0.262 0.000 0.991 551 Y HN 0.145 nan 8.280 nan 0.000 0.556 552 W N -0.447 120.629 121.300 -0.373 0.000 2.476 552 W HA 0.061 4.720 4.660 -0.001 0.000 0.281 552 W C 0.479 176.849 176.519 -0.249 0.000 1.230 552 W CA 0.702 57.827 57.345 -0.366 0.000 1.287 552 W CB -0.020 29.208 29.460 -0.386 0.000 1.108 552 W HN -0.390 nan 8.180 nan 0.000 0.567 553 V N 3.051 122.993 119.914 0.047 0.000 2.470 553 V HA -0.006 4.114 4.120 -0.001 0.000 0.276 553 V C -1.354 174.799 176.094 0.097 0.000 1.040 553 V CA -0.814 61.533 62.300 0.079 0.000 1.008 553 V CB 0.865 32.731 31.823 0.072 0.000 0.990 553 V HN -0.101 nan 8.190 nan 0.000 0.477 554 P HA 0.044 nan 4.420 nan 0.000 0.231 554 P C 0.477 177.836 177.300 0.099 0.000 1.168 554 P CA 0.549 63.678 63.100 0.047 0.000 0.779 554 P CB 0.287 32.002 31.700 0.025 0.000 0.844 555 D N -2.258 118.218 120.400 0.126 0.000 2.340 555 D HA 0.024 4.663 4.640 -0.001 0.000 0.217 555 D C -0.146 176.256 176.300 0.170 0.000 1.081 555 D CA -0.240 53.829 54.000 0.115 0.000 0.842 555 D CB -0.415 40.438 40.800 0.089 0.000 0.934 555 D HN 0.150 nan 8.370 nan 0.000 0.511 556 W N 3.362 124.674 121.300 0.020 0.000 2.303 556 W HA 0.071 4.730 4.660 -0.001 0.000 0.318 556 W C 1.074 177.614 176.519 0.035 0.000 1.362 556 W CA -0.974 56.390 57.345 0.031 0.000 1.234 556 W CB 0.608 30.094 29.460 0.044 0.000 1.248 556 W HN -0.031 nan 8.180 nan 0.000 0.546 557 D N 3.732 123.859 120.400 -0.455 0.000 2.352 557 D HA 0.012 4.652 4.640 -0.001 0.000 0.232 557 D C 1.304 177.120 176.300 -0.807 0.000 1.055 557 D CA 0.647 54.364 54.000 -0.470 0.000 0.891 557 D CB -0.401 40.253 40.800 -0.243 0.000 0.897 557 D HN 0.791 nan 8.370 nan 0.000 0.529 558 G N -0.075 107.643 108.800 -1.803 0.000 2.225 558 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.264 558 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.264 558 G C -0.151 174.178 174.900 -0.952 0.000 1.060 558 G CA 0.149 44.201 45.100 -1.746 0.000 0.833 558 G HN 0.392 nan 8.290 nan 0.000 0.498 559 V N 1.885 121.369 119.914 -0.717 0.000 2.445 559 V HA 0.335 4.455 4.120 -0.001 0.000 0.283 559 V C 0.766 177.055 176.094 0.325 0.000 1.014 559 V CA -0.969 61.288 62.300 -0.072 0.000 0.852 559 V CB 1.296 33.069 31.823 -0.082 0.000 1.021 559 V HN 0.386 nan 8.190 nan 0.000 0.435 560 I N 8.127 128.934 120.570 0.394 0.000 2.741 560 I HA 0.122 4.292 4.170 -0.001 0.000 0.288 560 I C -1.451 174.876 176.117 0.350 0.000 1.192 560 I CA -0.790 60.757 61.300 0.412 0.000 1.426 560 I CB 0.633 38.820 38.000 0.313 0.000 1.367 560 I HN 0.408 nan 8.210 nan 0.000 0.563 561 P HA 0.169 nan 4.420 nan 0.000 0.279 561 P C -0.537 176.995 177.300 0.387 0.000 1.252 561 P CA -0.421 62.879 63.100 0.334 0.000 0.811 561 P CB 0.684 32.573 31.700 0.315 0.000 1.035 562 T N 3.637 118.302 114.554 0.185 0.000 2.851 562 T HA 0.259 4.609 4.350 -0.001 0.000 0.298 562 T C -2.030 172.562 174.700 -0.180 0.000 0.977 562 T CA -0.803 61.321 62.100 0.041 0.000 1.126 562 T CB -0.125 68.747 68.868 0.006 0.000 0.916 562 T HN 0.394 nan 8.240 nan 0.000 0.529 563 P HA 0.209 nan 4.420 nan 0.000 0.271 563 P C 0.347 177.303 177.300 -0.574 0.000 1.216 563 P CA -0.301 62.075 63.100 -1.206 0.000 0.771 563 P CB 0.769 31.418 31.700 -1.752 0.000 0.864 564 A N 4.266 126.844 122.820 -0.404 0.000 2.070 564 A HA -0.034 4.286 4.320 -0.001 0.000 0.220 564 A C 1.131 178.583 177.584 -0.221 0.000 1.159 564 A CA 1.052 52.976 52.037 -0.190 0.000 0.656 564 A CB -0.623 18.358 19.000 -0.032 0.000 0.800 564 A HN 0.586 nan 8.150 nan 0.000 0.453 565 I N -0.312 120.060 120.570 -0.331 0.000 2.466 565 I HA 0.312 4.482 4.170 -0.001 0.000 0.289 565 I C -0.212 175.725 176.117 -0.301 0.000 1.026 565 I CA -0.364 60.758 61.300 -0.297 0.000 1.078 565 I CB 2.083 39.858 38.000 -0.376 0.000 1.249 565 I HN 0.163 nan 8.210 nan 0.000 0.429 566 I N 5.352 125.794 120.570 -0.213 0.000 3.947 566 I HA 0.153 4.322 4.170 -0.001 0.000 0.327 566 I C 0.949 176.998 176.117 -0.113 0.000 1.519 566 I CA -0.476 60.721 61.300 -0.172 0.000 1.122 566 I CB -0.411 37.500 38.000 -0.147 0.000 1.146 566 I HN 0.487 nan 8.210 nan 0.000 0.442 567 K N 1.940 122.272 120.400 -0.113 0.000 2.462 567 K HA 0.334 4.653 4.320 -0.001 0.000 0.257 567 K C -1.427 175.132 176.600 -0.068 0.000 1.062 567 K CA -0.771 55.467 56.287 -0.081 0.000 0.923 567 K CB -0.740 31.711 32.500 -0.082 0.000 1.210 567 K HN -0.297 nan 8.250 nan 0.000 0.502 568 P HA -0.272 nan 4.420 nan 0.000 0.233 568 P C -0.309 176.976 177.300 -0.025 0.000 1.141 568 P CA 1.959 65.040 63.100 -0.031 0.000 0.951 568 P CB 0.025 31.708 31.700 -0.028 0.000 0.778 569 K N -0.739 119.639 120.400 -0.037 0.000 2.579 569 K HA 0.302 4.621 4.320 -0.001 0.000 0.250 569 K C -2.760 173.813 176.600 -0.044 0.000 0.952 569 K CA -2.475 53.802 56.287 -0.017 0.000 0.857 569 K CB 1.780 34.279 32.500 -0.003 0.000 1.123 569 K HN -0.138 nan 8.250 nan 0.000 0.433 570 P HA 0.065 nan 4.420 nan 0.000 0.269 570 P C -1.104 176.183 177.300 -0.022 0.000 1.252 570 P CA -0.350 62.686 63.100 -0.107 0.000 0.780 570 P CB 0.517 32.164 31.700 -0.087 0.000 0.829 571 L N 4.831 125.971 121.223 -0.139 0.000 2.341 571 L HA 0.468 4.807 4.340 -0.001 0.000 0.278 571 L C 0.102 176.994 176.870 0.037 0.000 1.005 571 L CA -0.412 54.458 54.840 0.051 0.000 0.818 571 L CB 1.074 43.030 42.059 -0.172 0.000 1.259 571 L HN 0.383 nan 8.230 nan 0.000 0.418 572 W N 1.814 123.171 121.300 0.094 0.000 2.381 572 W HA 0.446 5.106 4.660 -0.000 0.000 0.329 572 W C 0.591 177.291 176.519 0.303 0.000 1.157 572 W CA -0.587 56.845 57.345 0.144 0.000 1.240 572 W CB 2.035 31.553 29.460 0.097 0.000 1.199 572 W HN 0.529 nan 8.180 nan 0.000 0.579 573 S N 0.612 116.597 115.700 0.474 0.000 2.646 573 S HA 0.395 4.865 4.470 -0.001 0.000 0.276 573 S C 1.127 175.789 174.600 0.104 0.000 1.222 573 S CA 0.054 58.445 58.200 0.318 0.000 1.014 573 S CB 1.600 64.936 63.200 0.226 0.000 0.991 573 S HN 0.631 nan 8.310 nan 0.000 0.533 574 G N 2.191 110.940 108.800 -0.085 0.000 2.529 574 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.219 574 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.219 574 G C 1.263 176.086 174.900 -0.129 0.000 1.177 574 G CA 1.004 45.989 45.100 -0.193 0.000 0.773 574 G HN 0.844 nan 8.290 nan 0.000 0.573 575 K N 0.098 120.436 120.400 -0.103 0.000 2.160 575 K HA -0.134 4.185 4.320 -0.001 0.000 0.206 575 K C 2.626 179.218 176.600 -0.012 0.000 1.047 575 K CA 1.167 57.413 56.287 -0.069 0.000 0.930 575 K CB -0.184 32.282 32.500 -0.057 0.000 0.720 575 K HN 0.352 nan 8.250 nan 0.000 0.450 576 Q N 0.635 120.465 119.800 0.051 0.000 1.975 576 Q HA -0.187 4.152 4.340 -0.001 0.000 0.205 576 Q C 2.343 178.401 176.000 0.097 0.000 0.990 576 Q CA 1.939 57.813 55.803 0.119 0.000 0.845 576 Q CB -0.305 28.582 28.738 0.249 0.000 0.913 576 Q HN 0.478 nan 8.270 nan 0.000 0.420 577 I N -1.543 119.071 120.570 0.074 0.000 2.876 577 I HA -0.092 4.078 4.170 -0.001 0.000 0.264 577 I C 2.147 178.248 176.117 -0.028 0.000 1.204 577 I CA 0.528 61.836 61.300 0.014 0.000 1.485 577 I CB -0.477 37.498 38.000 -0.043 0.000 1.103 577 I HN 0.006 nan 8.210 nan 0.000 0.446 578 L N 0.809 122.003 121.223 -0.048 0.000 2.141 578 L HA -0.045 4.294 4.340 -0.001 0.000 0.209 578 L C 2.203 179.049 176.870 -0.039 0.000 1.094 578 L CA 1.639 56.441 54.840 -0.064 0.000 0.763 578 L CB -0.655 41.343 42.059 -0.102 0.000 0.908 578 L HN 0.216 nan 8.230 nan 0.000 0.437 579 S N -1.296 114.392 115.700 -0.020 0.000 2.555 579 S HA -0.036 4.434 4.470 -0.001 0.000 0.230 579 S C 1.796 176.408 174.600 0.021 0.000 0.978 579 S CA 0.850 59.045 58.200 -0.009 0.000 0.934 579 S CB -0.245 62.955 63.200 -0.001 0.000 0.766 579 S HN 0.343 nan 8.310 nan 0.000 0.533 580 V N 1.174 121.108 119.914 0.034 0.000 2.809 580 V HA -0.031 4.088 4.120 -0.001 0.000 0.256 580 V C 2.258 178.392 176.094 0.067 0.000 1.080 580 V CA 1.503 63.848 62.300 0.076 0.000 1.102 580 V CB -0.660 31.196 31.823 0.056 0.000 0.705 580 V HN 0.552 nan 8.190 nan 0.000 0.475 581 A N -0.726 122.108 122.820 0.023 0.000 2.115 581 A HA 0.261 4.580 4.320 -0.001 0.000 0.211 581 A C 1.017 178.600 177.584 -0.002 0.000 1.169 581 A CA 0.121 52.166 52.037 0.014 0.000 0.787 581 A CB 0.059 19.053 19.000 -0.010 0.000 0.858 581 A HN 0.340 nan 8.150 nan 0.000 0.474 582 I N 1.859 122.421 120.570 -0.013 0.000 2.452 582 I HA 0.214 4.384 4.170 -0.001 0.000 0.287 582 I C -2.395 173.721 176.117 -0.002 0.000 1.079 582 I CA -2.351 58.934 61.300 -0.025 0.000 1.387 582 I CB 0.002 37.977 38.000 -0.042 0.000 1.404 582 I HN 0.015 nan 8.210 nan 0.000 0.522 583 P HA 0.130 nan 4.420 nan 0.000 0.275 583 P C -0.557 176.754 177.300 0.018 0.000 1.270 583 P CA -0.454 62.657 63.100 0.018 0.000 0.791 583 P CB 0.454 32.166 31.700 0.019 0.000 1.089 584 N N 0.031 118.749 118.700 0.030 0.000 2.529 584 N HA 0.350 5.090 4.740 -0.001 0.000 0.278 584 N C 1.152 176.694 175.510 0.052 0.000 1.146 584 N CA 0.478 53.548 53.050 0.034 0.000 0.980 584 N CB 0.203 38.712 38.487 0.038 0.000 1.124 584 N HN 0.774 nan 8.380 nan 0.000 0.458 585 G N 0.518 109.355 108.800 0.062 0.000 2.141 585 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.242 585 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.242 585 G C -0.201 174.809 174.900 0.185 0.000 0.982 585 G CA -0.392 44.791 45.100 0.139 0.000 0.662 585 G HN 0.485 nan 8.290 nan 0.000 0.527 586 I N 2.125 122.740 120.570 0.075 0.000 2.352 586 I HA 0.326 4.495 4.170 -0.001 0.000 0.290 586 I C 0.470 176.582 176.117 -0.009 0.000 1.036 586 I CA -0.548 60.788 61.300 0.060 0.000 1.336 586 I CB 0.432 38.434 38.000 0.004 0.000 1.407 586 I HN 0.135 nan 8.210 nan 0.000 0.497 587 H N 6.748 125.813 119.070 -0.008 0.000 2.466 587 H HA 0.559 5.114 4.556 -0.001 0.000 0.338 587 H C -0.991 174.311 175.328 -0.044 0.000 1.091 587 H CA -0.768 55.266 56.048 -0.023 0.000 1.207 587 H CB 2.937 32.698 29.762 -0.003 0.000 1.466 587 H HN 0.370 nan 8.280 nan 0.000 0.493 588 L N 2.789 123.998 121.223 -0.024 0.000 2.493 588 L HA 0.286 4.626 4.340 -0.001 0.000 0.265 588 L C -1.242 175.549 176.870 -0.133 0.000 0.954 588 L CA -0.293 54.508 54.840 -0.064 0.000 0.844 588 L CB 2.457 44.456 42.059 -0.099 0.000 1.302 588 L HN 0.605 nan 8.230 nan 0.000 0.405 589 Q N 3.190 122.915 119.800 -0.126 0.000 2.397 589 Q HA 0.561 4.900 4.340 -0.001 0.000 0.275 589 Q C -0.537 175.321 176.000 -0.235 0.000 1.090 589 Q CA -0.491 55.170 55.803 -0.236 0.000 0.809 589 Q CB 2.521 31.178 28.738 -0.134 0.000 1.362 589 Q HN 0.742 nan 8.270 nan 0.000 0.431 590 R N 1.480 121.740 120.500 -0.401 0.000 3.609 590 R HA 0.273 4.612 4.340 -0.001 0.000 0.149 590 R C -0.921 175.330 176.300 -0.082 0.000 0.948 590 R CA 0.193 56.170 56.100 -0.204 0.000 1.014 590 R CB 0.817 31.035 30.300 -0.135 0.000 1.404 590 R HN 0.691 nan 8.270 nan 0.000 0.493 591 F N 1.965 121.956 119.950 0.067 0.000 2.173 591 F HA -0.220 4.306 4.527 -0.001 0.000 0.477 591 F C 0.437 176.264 175.800 0.044 0.000 1.237 591 F CA 0.284 58.333 58.000 0.081 0.000 1.543 591 F CB -1.003 38.036 39.000 0.066 0.000 2.432 591 F HN 0.301 nan 8.300 nan 0.000 0.736 592 D N 1.129 121.638 120.400 0.182 0.000 2.178 592 D HA -0.015 4.624 4.640 -0.001 0.000 0.217 592 D C 1.631 177.986 176.300 0.092 0.000 0.992 592 D CA 1.724 55.785 54.000 0.101 0.000 0.895 592 D CB 0.311 41.152 40.800 0.068 0.000 1.031 592 D HN 0.777 nan 8.370 nan 0.000 0.453 593 E N -1.292 118.961 120.200 0.088 0.000 3.688 593 E HA 0.176 4.526 4.350 -0.001 0.000 0.217 593 E C 0.865 177.498 176.600 0.055 0.000 1.289 593 E CA 0.038 56.472 56.400 0.057 0.000 1.408 593 E CB 0.196 29.914 29.700 0.030 0.000 2.370 593 E HN 0.073 nan 8.360 nan 0.000 0.584 594 G N 1.815 110.640 108.800 0.043 0.000 3.392 594 G HA2 0.128 4.087 3.960 -0.001 0.000 0.247 594 G HA3 0.128 4.087 3.960 -0.001 0.000 0.247 594 G C -0.506 174.415 174.900 0.035 0.000 1.161 594 G CA 0.179 45.295 45.100 0.027 0.000 1.739 594 G HN 0.086 nan 8.290 nan 0.000 0.619 595 T N 0.225 114.826 114.554 0.077 0.000 2.821 595 T HA 0.405 4.755 4.350 -0.001 0.000 0.307 595 T C 0.576 175.340 174.700 0.108 0.000 1.034 595 T CA -0.561 61.619 62.100 0.133 0.000 0.953 595 T CB 1.203 70.273 68.868 0.337 0.000 0.968 595 T HN 0.197 nan 8.240 nan 0.000 0.462 596 T N 0.739 115.284 114.554 -0.014 0.000 3.393 596 T HA 0.372 4.722 4.350 -0.001 0.000 0.255 596 T C 0.968 175.612 174.700 -0.093 0.000 1.008 596 T CA -0.741 61.334 62.100 -0.043 0.000 1.053 596 T CB -0.815 68.018 68.868 -0.058 0.000 1.120 596 T HN 0.566 nan 8.240 nan 0.000 0.538 597 L N -1.046 120.109 121.223 -0.114 0.000 4.839 597 L HA -0.238 4.102 4.340 -0.001 0.000 0.445 597 L C 1.247 177.867 176.870 -0.416 0.000 1.101 597 L CA 0.887 55.573 54.840 -0.256 0.000 0.952 597 L CB -1.347 40.720 42.059 0.012 0.000 1.871 597 L HN 0.486 nan 8.230 nan 0.000 0.893 598 L N -1.777 119.220 121.223 -0.376 0.000 2.803 598 L HA 0.209 4.548 4.340 -0.001 0.000 0.246 598 L C 1.100 177.797 176.870 -0.289 0.000 1.100 598 L CA 0.746 55.423 54.840 -0.272 0.000 0.919 598 L CB 0.693 42.668 42.059 -0.139 0.000 1.285 598 L HN 0.316 nan 8.230 nan 0.000 0.522 599 S N 0.910 116.412 115.700 -0.330 0.000 3.711 599 S HA -0.085 4.384 4.470 -0.001 0.000 0.374 599 S C -1.448 173.102 174.600 -0.084 0.000 0.969 599 S CA 0.309 58.385 58.200 -0.207 0.000 1.198 599 S CB -0.709 62.358 63.200 -0.222 0.000 0.903 599 S HN 0.383 nan 8.310 nan 0.000 0.493 600 P HA -0.122 nan 4.420 nan 0.000 0.217 600 P C 0.709 178.001 177.300 -0.015 0.000 1.148 600 P CA 1.293 64.373 63.100 -0.034 0.000 0.828 600 P CB 0.095 31.778 31.700 -0.028 0.000 0.783 601 K N -0.938 119.458 120.400 -0.006 0.000 2.440 601 K HA 0.073 4.393 4.320 -0.001 0.000 0.206 601 K C -0.079 176.532 176.600 0.018 0.000 1.025 601 K CA -0.224 56.067 56.287 0.006 0.000 1.135 601 K CB -0.160 32.346 32.500 0.010 0.000 0.856 601 K HN -0.159 nan 8.250 nan 0.000 0.502 602 D N 1.833 122.248 120.400 0.025 0.000 2.697 602 D HA -0.179 4.460 4.640 -0.001 0.000 0.235 602 D C -0.865 175.485 176.300 0.083 0.000 1.167 602 D CA 0.594 54.632 54.000 0.063 0.000 0.656 602 D CB -0.923 39.899 40.800 0.036 0.000 1.025 602 D HN 0.212 nan 8.370 nan 0.000 0.419 603 N N 0.082 118.842 118.700 0.100 0.000 2.445 603 N HA 0.601 5.341 4.740 -0.001 0.000 0.264 603 N C 1.210 176.829 175.510 0.182 0.000 1.227 603 N CA 0.732 53.848 53.050 0.109 0.000 0.963 603 N CB 0.779 39.324 38.487 0.097 0.000 1.188 603 N HN 0.484 nan 8.380 nan 0.000 0.491 604 G N -0.211 108.653 108.800 0.107 0.000 2.697 604 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.240 604 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.240 604 G C -0.603 174.252 174.900 -0.076 0.000 1.346 604 G CA 0.281 45.415 45.100 0.056 0.000 0.887 604 G HN 0.666 nan 8.290 nan 0.000 0.569 605 M N -1.268 118.160 119.600 -0.287 0.000 2.465 605 M HA 0.806 5.286 4.480 -0.001 0.000 0.284 605 M C -1.800 174.061 176.300 -0.731 0.000 1.212 605 M CA -0.720 54.291 55.300 -0.482 0.000 0.910 605 M CB 2.036 34.463 32.600 -0.288 0.000 1.725 605 M HN 1.568 nan 8.290 nan 0.000 0.477 606 L N 5.207 125.914 121.223 -0.860 0.000 2.528 606 L HA 0.727 5.067 4.340 -0.001 0.000 0.267 606 L C -2.131 174.476 176.870 -0.439 0.000 0.961 606 L CA -0.078 54.364 54.840 -0.663 0.000 0.866 606 L CB 1.676 43.246 42.059 -0.815 0.000 1.248 606 L HN 0.763 nan 8.230 nan 0.000 0.404 607 I N 6.499 126.888 120.570 -0.301 0.000 2.382 607 I HA 0.402 4.571 4.170 -0.001 0.000 0.285 607 I C -0.713 175.234 176.117 -0.283 0.000 1.007 607 I CA -0.587 60.565 61.300 -0.246 0.000 1.142 607 I CB 1.525 39.407 38.000 -0.196 0.000 1.289 607 I HN 0.401 nan 8.210 nan 0.000 0.453 608 I N 5.523 125.935 120.570 -0.263 0.000 2.304 608 I HA 0.138 4.307 4.170 -0.001 0.000 0.291 608 I C 0.308 176.238 176.117 -0.311 0.000 1.018 608 I CA -0.223 60.876 61.300 -0.337 0.000 1.260 608 I CB 0.731 38.635 38.000 -0.159 0.000 1.390 608 I HN 0.646 nan 8.210 nan 0.000 0.475 609 D N 6.054 126.168 120.400 -0.477 0.000 6.201 609 D HA -0.217 4.423 4.640 -0.001 0.000 0.184 609 D C 1.331 177.560 176.300 -0.119 0.000 1.039 609 D CA 1.666 55.539 54.000 -0.212 0.000 0.988 609 D CB 0.113 40.874 40.800 -0.065 0.000 1.295 609 D HN 1.041 nan 8.370 nan 0.000 0.734 610 G N 3.877 112.619 108.800 -0.097 0.000 3.639 610 G HA2 -0.371 3.588 3.960 -0.001 0.000 0.224 610 G HA3 -0.371 3.588 3.960 -0.001 0.000 0.224 610 G C 0.293 175.161 174.900 -0.053 0.000 1.339 610 G CA 0.785 45.855 45.100 -0.050 0.000 0.933 610 G HN 0.730 nan 8.290 nan 0.000 0.568 611 Q N 1.494 121.263 119.800 -0.052 0.000 2.394 611 Q HA 0.535 4.874 4.340 -0.001 0.000 0.248 611 Q C 0.923 176.873 176.000 -0.083 0.000 0.992 611 Q CA 0.157 55.934 55.803 -0.043 0.000 0.888 611 Q CB 1.167 29.893 28.738 -0.019 0.000 1.257 611 Q HN 1.005 nan 8.270 nan 0.000 0.462 612 I N -0.931 119.592 120.570 -0.078 0.000 2.392 612 I HA 0.289 4.459 4.170 -0.001 0.000 0.295 612 I C 0.203 176.262 176.117 -0.098 0.000 0.985 612 I CA -0.660 60.568 61.300 -0.120 0.000 1.221 612 I CB 0.929 38.850 38.000 -0.131 0.000 1.366 612 I HN 0.352 nan 8.210 nan 0.000 0.467 613 I N 4.807 125.289 120.570 -0.147 0.000 2.947 613 I HA 0.257 4.426 4.170 -0.001 0.000 0.263 613 I C 0.430 176.584 176.117 0.061 0.000 1.130 613 I CA 0.972 62.242 61.300 -0.051 0.000 1.448 613 I CB -0.442 37.538 38.000 -0.034 0.000 1.222 613 I HN 0.741 nan 8.210 nan 0.000 0.453 614 F N -0.112 119.805 119.950 -0.055 0.000 2.654 614 F HA 0.758 5.284 4.527 -0.001 0.000 0.308 614 F C -0.285 175.474 175.800 -0.068 0.000 1.108 614 F CA -0.962 57.008 58.000 -0.051 0.000 0.957 614 F CB 1.273 40.253 39.000 -0.034 0.000 1.309 614 F HN 0.109 nan 8.300 nan 0.000 0.446 615 G N 0.973 109.850 108.800 0.128 0.000 2.742 615 G HA2 0.305 4.265 3.960 -0.001 0.000 0.686 615 G HA3 0.305 4.265 3.960 -0.001 0.000 0.686 615 G C -1.570 173.312 174.900 -0.030 0.000 1.220 615 G CA -0.702 44.435 45.100 0.061 0.000 0.783 615 G HN 1.248 nan 8.290 nan 0.000 0.646 616 V N 0.955 120.854 119.914 -0.025 0.000 2.614 616 V HA 0.464 4.583 4.120 -0.001 0.000 0.291 616 V C 1.217 177.268 176.094 -0.071 0.000 1.049 616 V CA -0.738 61.527 62.300 -0.058 0.000 1.038 616 V CB 1.431 33.225 31.823 -0.049 0.000 0.980 616 V HN 0.882 nan 8.190 nan 0.000 0.481 617 V N 5.546 125.405 119.914 -0.091 0.000 2.432 617 V HA 0.427 4.547 4.120 -0.001 0.000 0.271 617 V C 0.335 176.385 176.094 -0.073 0.000 1.046 617 V CA 0.041 62.287 62.300 -0.090 0.000 0.945 617 V CB 0.511 32.271 31.823 -0.105 0.000 0.992 617 V HN 1.185 nan 8.190 nan 0.000 0.471 618 E N 3.682 123.849 120.200 -0.056 0.000 2.296 618 E HA 0.452 4.801 4.350 -0.001 0.000 0.224 618 E C 0.688 177.274 176.600 -0.023 0.000 0.949 618 E CA -0.883 55.495 56.400 -0.037 0.000 0.879 618 E CB 0.749 30.432 29.700 -0.028 0.000 1.922 618 E HN 0.079 nan 8.360 nan 0.000 0.437 619 K N 0.563 120.959 120.400 -0.007 0.000 2.063 619 K HA -0.079 4.241 4.320 -0.001 0.000 0.208 619 K C 1.794 178.396 176.600 0.003 0.000 1.048 619 K CA 2.038 58.329 56.287 0.006 0.000 0.928 619 K CB -0.138 32.371 32.500 0.016 0.000 0.713 619 K HN 0.368 nan 8.250 nan 0.000 0.442 620 K N -0.840 119.557 120.400 -0.006 0.000 2.360 620 K HA -0.059 4.260 4.320 -0.001 0.000 0.201 620 K C 1.453 178.040 176.600 -0.021 0.000 1.046 620 K CA 1.582 57.863 56.287 -0.010 0.000 0.945 620 K CB 0.161 32.653 32.500 -0.013 0.000 0.750 620 K HN 0.271 nan 8.250 nan 0.000 0.464 621 T N -1.013 113.521 114.554 -0.032 0.000 3.053 621 T HA -0.007 4.343 4.350 -0.001 0.000 0.236 621 T C 1.378 176.051 174.700 -0.045 0.000 0.996 621 T CA 0.407 62.476 62.100 -0.052 0.000 1.185 621 T CB 0.302 69.126 68.868 -0.073 0.000 0.892 621 T HN 0.012 nan 8.240 nan 0.000 0.432 622 V N 1.539 121.429 119.914 -0.039 0.000 3.253 622 V HA 0.567 4.687 4.120 -0.001 0.000 0.320 622 V C 0.657 176.750 176.094 -0.002 0.000 1.442 622 V CA -0.054 62.219 62.300 -0.046 0.000 1.097 622 V CB -0.311 31.472 31.823 -0.066 0.000 1.008 622 V HN 0.473 nan 8.190 nan 0.000 0.463 623 G N 0.413 109.223 108.800 0.017 0.000 2.532 623 G HA2 0.378 4.338 3.960 -0.001 0.000 0.291 623 G HA3 0.378 4.338 3.960 -0.001 0.000 0.291 623 G C 0.278 175.217 174.900 0.066 0.000 1.349 623 G CA 0.233 45.362 45.100 0.049 0.000 1.038 623 G HN 0.735 nan 8.290 nan 0.000 0.518 624 S N -0.414 115.333 115.700 0.079 0.000 3.965 624 S HA 0.419 4.888 4.470 -0.001 0.000 0.195 624 S C 0.649 175.296 174.600 0.079 0.000 1.449 624 S CA -0.030 58.223 58.200 0.088 0.000 0.965 624 S CB -0.500 62.750 63.200 0.083 0.000 1.459 624 S HN 0.887 nan 8.310 nan 0.000 0.476 625 S N 1.433 117.177 115.700 0.074 0.000 2.694 625 S HA 0.401 4.871 4.470 -0.001 0.000 0.278 625 S C 0.988 175.647 174.600 0.099 0.000 1.152 625 S CA -0.759 57.482 58.200 0.067 0.000 1.010 625 S CB 0.612 63.836 63.200 0.040 0.000 1.104 625 S HN 0.424 nan 8.310 nan 0.000 0.547 626 N N 0.552 119.297 118.700 0.076 0.000 2.197 626 N HA 0.049 4.789 4.740 -0.001 0.000 0.184 626 N C 1.304 176.816 175.510 0.004 0.000 1.030 626 N CA 1.309 54.408 53.050 0.082 0.000 0.851 626 N CB -0.707 37.803 38.487 0.038 0.000 1.003 626 N HN 0.834 nan 8.380 nan 0.000 0.430 627 G N 0.089 108.873 108.800 -0.028 0.000 3.814 627 G HA2 0.417 4.377 3.960 -0.001 0.000 0.293 627 G HA3 0.417 4.377 3.960 -0.001 0.000 0.293 627 G C 0.381 175.266 174.900 -0.025 0.000 1.243 627 G CA -0.092 44.968 45.100 -0.066 0.000 1.053 627 G HN 0.374 nan 8.290 nan 0.000 0.562 628 G N -0.675 108.140 108.800 0.024 0.000 2.532 628 G HA2 0.379 4.338 3.960 -0.001 0.000 0.291 628 G HA3 0.379 4.338 3.960 -0.001 0.000 0.291 628 G C 0.886 175.796 174.900 0.017 0.000 1.349 628 G CA -0.708 44.401 45.100 0.015 0.000 1.038 628 G HN 0.191 nan 8.290 nan 0.000 0.518 629 L N -0.851 120.360 121.223 -0.020 0.000 2.093 629 L HA 0.019 4.358 4.340 -0.001 0.000 0.208 629 L C 2.611 179.458 176.870 -0.039 0.000 1.085 629 L CA 0.941 55.755 54.840 -0.043 0.000 0.755 629 L CB -0.178 41.830 42.059 -0.085 0.000 0.904 629 L HN 0.504 nan 8.230 nan 0.000 0.435 630 I N -1.260 119.286 120.570 -0.040 0.000 2.286 630 I HA -0.273 3.897 4.170 -0.001 0.000 0.245 630 I C 2.521 178.653 176.117 0.025 0.000 1.104 630 I CA 1.000 62.267 61.300 -0.056 0.000 1.397 630 I CB -0.762 37.208 38.000 -0.050 0.000 1.072 630 I HN 0.271 nan 8.210 nan 0.000 0.417 631 H N 0.771 119.839 119.070 -0.004 0.000 2.353 631 H HA -0.135 4.420 4.556 -0.001 0.000 0.298 631 H C 2.262 177.593 175.328 0.005 0.000 1.103 631 H CA 1.899 57.952 56.048 0.007 0.000 1.293 631 H CB -0.027 29.743 29.762 0.014 0.000 1.372 631 H HN 0.125 nan 8.280 nan 0.000 0.501 632 V N 0.001 120.019 119.914 0.174 0.000 2.221 632 V HA -0.222 3.897 4.120 -0.001 0.000 0.242 632 V C 2.904 179.044 176.094 0.077 0.000 1.041 632 V CA 1.595 63.961 62.300 0.111 0.000 0.995 632 V CB -0.795 31.063 31.823 0.058 0.000 0.635 632 V HN 0.225 nan 8.190 nan 0.000 0.448 633 V N 0.248 120.182 119.914 0.032 0.000 2.568 633 V HA -0.281 3.839 4.120 -0.001 0.000 0.253 633 V C 2.432 178.538 176.094 0.021 0.000 1.072 633 V CA 2.446 64.754 62.300 0.013 0.000 1.084 633 V CB -1.203 30.602 31.823 -0.032 0.000 0.676 633 V HN 0.687 nan 8.190 nan 0.000 0.469 634 T N -0.399 114.166 114.554 0.017 0.000 2.612 634 T HA -0.140 4.210 4.350 -0.001 0.000 0.259 634 T C 2.105 176.820 174.700 0.026 0.000 1.065 634 T CA 1.026 63.131 62.100 0.008 0.000 1.167 634 T CB -0.287 68.559 68.868 -0.036 0.000 0.863 634 T HN 0.251 nan 8.240 nan 0.000 0.407 635 R N 1.123 121.649 120.500 0.042 0.000 2.139 635 R HA -0.055 4.285 4.340 -0.001 0.000 0.243 635 R C 2.364 178.709 176.300 0.074 0.000 1.145 635 R CA 1.114 57.258 56.100 0.074 0.000 0.976 635 R CB -0.461 29.914 30.300 0.124 0.000 0.866 635 R HN 0.480 nan 8.270 nan 0.000 0.449 636 E N 0.308 120.552 120.200 0.073 0.000 2.014 636 E HA -0.059 4.290 4.350 -0.001 0.000 0.190 636 E C 1.885 178.525 176.600 0.067 0.000 0.980 636 E CA 0.960 57.405 56.400 0.074 0.000 0.807 636 E CB 0.094 29.841 29.700 0.079 0.000 0.770 636 E HN 0.138 nan 8.360 nan 0.000 0.451 637 K N -0.517 119.917 120.400 0.056 0.000 2.242 637 K HA 0.184 4.504 4.320 -0.001 0.000 0.200 637 K C 0.915 177.541 176.600 0.044 0.000 1.050 637 K CA 0.740 57.057 56.287 0.051 0.000 0.981 637 K CB 1.087 33.612 32.500 0.043 0.000 0.795 637 K HN 0.197 nan 8.250 nan 0.000 0.477 638 G N 0.792 109.616 108.800 0.040 0.000 2.339 638 G HA2 -0.064 3.895 3.960 -0.001 0.000 0.381 638 G HA3 -0.064 3.895 3.960 -0.001 0.000 0.381 638 G C -2.670 172.248 174.900 0.030 0.000 1.400 638 G CA -0.631 44.490 45.100 0.036 0.000 1.002 638 G HN -0.250 nan 8.290 nan 0.000 0.633 639 P HA -0.074 nan 4.420 nan 0.000 0.214 639 P C 1.443 178.763 177.300 0.034 0.000 1.162 639 P CA 1.365 64.478 63.100 0.022 0.000 0.874 639 P CB 0.094 31.799 31.700 0.007 0.000 0.784 640 Q N -0.139 119.677 119.800 0.027 0.000 2.181 640 Q HA -0.077 4.263 4.340 -0.001 0.000 0.205 640 Q C 2.312 178.336 176.000 0.040 0.000 0.980 640 Q CA 1.182 57.003 55.803 0.029 0.000 0.862 640 Q CB -1.258 27.493 28.738 0.021 0.000 0.905 640 Q HN 0.204 nan 8.270 nan 0.000 0.429 641 V N -0.226 119.711 119.914 0.037 0.000 2.719 641 V HA -0.172 3.947 4.120 -0.001 0.000 0.252 641 V C 2.321 178.437 176.094 0.037 0.000 1.065 641 V CA 1.324 63.646 62.300 0.036 0.000 1.086 641 V CB -0.324 31.518 31.823 0.032 0.000 0.700 641 V HN 0.436 nan 8.190 nan 0.000 0.467 642 C N 0.145 119.472 119.300 0.046 0.000 2.507 642 C HA 0.242 4.702 4.460 -0.001 0.000 0.280 642 C C 3.066 178.139 174.990 0.139 0.000 1.345 642 C CA 0.489 59.534 59.018 0.045 0.000 1.736 642 C CB -0.865 26.902 27.740 0.045 0.000 2.060 642 C HN 0.548 nan 8.230 nan 0.000 0.498 643 A N 0.696 123.614 122.820 0.164 0.000 1.940 643 A HA -0.206 4.114 4.320 -0.001 0.000 0.219 643 A C 2.145 179.852 177.584 0.205 0.000 1.176 643 A CA 1.828 53.997 52.037 0.220 0.000 0.631 643 A CB -0.565 18.493 19.000 0.096 0.000 0.814 643 A HN 0.765 nan 8.150 nan 0.000 0.446 644 K N -0.859 119.613 120.400 0.121 0.000 2.366 644 K HA 0.035 4.354 4.320 -0.001 0.000 0.198 644 K C 1.764 178.415 176.600 0.086 0.000 1.044 644 K CA 0.813 57.159 56.287 0.097 0.000 0.973 644 K CB -0.226 32.313 32.500 0.065 0.000 0.767 644 K HN 0.466 nan 8.250 nan 0.000 0.475 645 L N 0.345 121.599 121.223 0.053 0.000 2.027 645 L HA -0.096 4.244 4.340 -0.001 0.000 0.206 645 L C 1.779 178.615 176.870 -0.056 0.000 1.074 645 L CA 1.622 56.436 54.840 -0.043 0.000 0.745 645 L CB -0.447 41.524 42.059 -0.146 0.000 0.898 645 L HN -0.014 nan 8.230 nan 0.000 0.433 646 F N 0.566 120.524 119.950 0.013 0.000 2.043 646 F HA -0.174 4.353 4.527 -0.001 0.000 0.297 646 F C 2.534 178.347 175.800 0.020 0.000 1.121 646 F CA 1.964 59.974 58.000 0.015 0.000 1.199 646 F CB -1.399 37.611 39.000 0.017 0.000 0.968 646 F HN 0.248 nan 8.300 nan 0.000 0.478 647 G N 0.198 109.140 108.800 0.236 0.000 2.681 647 G HA2 -0.399 3.561 3.960 -0.001 0.000 0.220 647 G HA3 -0.399 3.561 3.960 -0.001 0.000 0.220 647 G C 1.516 176.475 174.900 0.098 0.000 1.210 647 G CA 1.651 46.836 45.100 0.143 0.000 0.783 647 G HN 0.297 nan 8.290 nan 0.000 0.609 648 N N 0.808 119.553 118.700 0.074 0.000 2.061 648 N HA -0.090 4.649 4.740 -0.001 0.000 0.193 648 N C 2.212 177.736 175.510 0.023 0.000 1.030 648 N CA 1.252 54.332 53.050 0.050 0.000 0.856 648 N CB -0.486 38.025 38.487 0.040 0.000 1.023 648 N HN 0.447 nan 8.380 nan 0.000 0.424 649 I N 1.034 121.606 120.570 0.004 0.000 2.361 649 I HA -0.265 3.904 4.170 -0.001 0.000 0.251 649 I C 2.166 178.283 176.117 0.001 0.000 1.133 649 I CA 1.078 62.367 61.300 -0.018 0.000 1.413 649 I CB -0.180 37.788 38.000 -0.054 0.000 1.073 649 I HN 0.221 nan 8.210 nan 0.000 0.424 650 Q N 0.572 120.390 119.800 0.030 0.000 2.033 650 Q HA -0.147 4.193 4.340 -0.001 0.000 0.196 650 Q C 2.186 178.164 176.000 -0.037 0.000 0.970 650 Q CA 1.003 56.820 55.803 0.024 0.000 0.828 650 Q CB -0.125 28.652 28.738 0.065 0.000 0.895 650 Q HN 0.378 nan 8.270 nan 0.000 0.440 651 K N 0.289 120.665 120.400 -0.041 0.000 2.113 651 K HA -0.161 4.158 4.320 -0.001 0.000 0.208 651 K C 2.016 178.453 176.600 -0.272 0.000 1.047 651 K CA 1.445 57.639 56.287 -0.155 0.000 0.928 651 K CB -0.077 32.455 32.500 0.054 0.000 0.716 651 K HN 0.014 nan 8.250 nan 0.000 0.446 652 V N -0.109 119.741 119.914 -0.107 0.000 2.331 652 V HA -0.156 3.963 4.120 -0.001 0.000 0.242 652 V C 2.089 178.204 176.094 0.035 0.000 1.034 652 V CA 1.264 63.525 62.300 -0.065 0.000 1.027 652 V CB -0.189 31.615 31.823 -0.032 0.000 0.667 652 V HN 0.042 nan 8.190 nan 0.000 0.457 653 V N 0.952 120.882 119.914 0.027 0.000 2.515 653 V HA -0.171 3.948 4.120 -0.001 0.000 0.250 653 V C 2.284 178.450 176.094 0.120 0.000 1.058 653 V CA 1.755 64.112 62.300 0.094 0.000 1.064 653 V CB -0.840 31.007 31.823 0.040 0.000 0.675 653 V HN 0.556 nan 8.190 nan 0.000 0.461 654 N N -0.274 118.434 118.700 0.013 0.000 2.244 654 N HA -0.124 4.616 4.740 -0.001 0.000 0.183 654 N C 1.691 177.143 175.510 -0.097 0.000 1.016 654 N CA 1.319 54.343 53.050 -0.042 0.000 0.866 654 N CB -0.335 38.099 38.487 -0.089 0.000 0.980 654 N HN 0.541 nan 8.380 nan 0.000 0.430 655 F N 0.501 120.282 119.950 -0.282 0.000 2.051 655 F HA -0.169 4.357 4.527 -0.001 0.000 0.296 655 F C 2.382 178.146 175.800 -0.060 0.000 1.122 655 F CA 1.349 59.165 58.000 -0.308 0.000 1.201 655 F CB -0.612 38.059 39.000 -0.549 0.000 0.978 655 F HN 0.058 nan 8.300 nan 0.000 0.472 656 W N 0.947 122.254 121.300 0.012 0.000 2.302 656 W HA -0.306 4.353 4.660 -0.001 0.000 0.320 656 W C 2.161 178.614 176.519 -0.110 0.000 1.241 656 W CA 2.371 59.711 57.345 -0.009 0.000 1.264 656 W CB -0.939 28.545 29.460 0.040 0.000 1.154 656 W HN 0.187 nan 8.180 nan 0.000 0.483 657 L N 0.520 121.706 121.223 -0.061 0.000 2.083 657 L HA -0.153 4.186 4.340 -0.001 0.000 0.209 657 L C 2.490 179.142 176.870 -0.362 0.000 1.083 657 L CA 2.022 56.708 54.840 -0.256 0.000 0.752 657 L CB -1.506 40.554 42.059 0.002 0.000 0.899 657 L HN 0.223 nan 8.230 nan 0.000 0.433 658 L N -1.155 119.823 121.223 -0.409 0.000 2.129 658 L HA -0.256 4.084 4.340 -0.001 0.000 0.212 658 L C 2.154 178.625 176.870 -0.665 0.000 1.087 658 L CA 1.962 56.478 54.840 -0.540 0.000 0.757 658 L CB -0.713 40.944 42.059 -0.671 0.000 0.896 658 L HN 0.446 nan 8.230 nan 0.000 0.434 659 H N -2.306 116.479 119.070 -0.476 0.000 2.648 659 H HA 0.153 4.709 4.556 -0.001 0.000 0.265 659 H C 1.558 176.612 175.328 -0.458 0.000 0.961 659 H CA 0.787 56.576 56.048 -0.431 0.000 1.185 659 H CB 0.130 29.620 29.762 -0.452 0.000 1.449 659 H HN 0.487 nan 8.280 nan 0.000 0.523 660 N N 0.333 118.688 118.700 -0.575 0.000 2.336 660 N HA 0.062 4.801 4.740 -0.001 0.000 0.177 660 N C 0.716 176.032 175.510 -0.323 0.000 1.018 660 N CA 0.899 53.591 53.050 -0.597 0.000 0.878 660 N CB 0.839 38.597 38.487 -1.215 0.000 0.997 660 N HN 0.359 nan 8.380 nan 0.000 0.433 661 G N -0.536 108.102 108.800 -0.271 0.000 2.828 661 G HA2 -0.131 3.829 3.960 -0.001 0.000 0.463 661 G HA3 -0.131 3.829 3.960 -0.001 0.000 0.463 661 G C -0.790 174.155 174.900 0.075 0.000 1.394 661 G CA -0.078 44.961 45.100 -0.102 0.000 0.862 661 G HN 0.515 nan 8.290 nan 0.000 0.540 662 F N -0.581 119.312 119.950 -0.095 0.000 2.843 662 F HA 0.647 5.174 4.527 -0.001 0.000 0.323 662 F C -0.331 175.447 175.800 -0.038 0.000 1.142 662 F CA 0.493 58.462 58.000 -0.052 0.000 0.925 662 F CB 0.957 39.941 39.000 -0.028 0.000 1.277 662 F HN 1.607 nan 8.300 nan 0.000 0.446 663 S N 0.838 115.923 115.700 -1.025 0.000 2.757 663 S HA 0.913 5.382 4.470 -0.001 0.000 0.285 663 S C -1.875 172.311 174.600 -0.691 0.000 1.196 663 S CA -0.062 57.763 58.200 -0.624 0.000 0.856 663 S CB 1.885 64.916 63.200 -0.282 0.000 1.212 663 S HN 0.938 nan 8.310 nan 0.000 0.516 664 T N 1.009 115.354 114.554 -0.349 0.000 3.933 664 T HA 0.565 4.915 4.350 -0.001 0.000 0.357 664 T C -0.148 174.473 174.700 -0.131 0.000 1.077 664 T CA -0.303 61.661 62.100 -0.227 0.000 1.082 664 T CB 0.944 69.696 68.868 -0.192 0.000 1.158 664 T HN 0.864 nan 8.240 nan 0.000 0.472 665 G N 0.784 109.533 108.800 -0.085 0.000 2.795 665 G HA2 0.660 4.619 3.960 -0.001 0.000 0.267 665 G HA3 0.660 4.619 3.960 -0.001 0.000 0.267 665 G C 0.679 175.556 174.900 -0.038 0.000 1.362 665 G CA -0.982 44.084 45.100 -0.057 0.000 1.048 665 G HN 0.632 nan 8.290 nan 0.000 0.547 666 I N 0.458 121.012 120.570 -0.027 0.000 2.716 666 I HA 0.127 4.297 4.170 -0.001 0.000 0.259 666 I C 2.813 178.925 176.117 -0.008 0.000 1.172 666 I CA 0.997 62.287 61.300 -0.015 0.000 1.478 666 I CB -0.359 37.633 38.000 -0.013 0.000 1.104 666 I HN 0.515 nan 8.210 nan 0.000 0.439 667 G N 0.871 109.664 108.800 -0.010 0.000 2.485 667 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.221 667 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.221 667 G C 1.224 176.126 174.900 0.005 0.000 1.115 667 G CA 1.082 46.181 45.100 -0.003 0.000 0.751 667 G HN 0.361 nan 8.290 nan 0.000 0.567 668 D N -0.213 120.188 120.400 0.002 0.000 2.349 668 D HA -0.018 4.622 4.640 -0.001 0.000 0.224 668 D C 2.415 178.726 176.300 0.018 0.000 1.029 668 D CA 1.373 55.382 54.000 0.014 0.000 0.879 668 D CB 0.158 40.965 40.800 0.011 0.000 0.906 668 D HN 0.548 nan 8.370 nan 0.000 0.528 669 T N -2.586 111.977 114.554 0.014 0.000 2.971 669 T HA 0.206 4.555 4.350 -0.001 0.000 0.252 669 T C 1.092 175.802 174.700 0.017 0.000 1.022 669 T CA -0.313 61.798 62.100 0.018 0.000 0.980 669 T CB 0.364 69.246 68.868 0.024 0.000 1.044 669 T HN -0.067 nan 8.240 nan 0.000 0.501 670 I N 2.925 123.503 120.570 0.014 0.000 2.598 670 I HA 0.425 4.595 4.170 -0.001 0.000 0.284 670 I C 0.622 176.748 176.117 0.015 0.000 1.140 670 I CA -0.308 60.999 61.300 0.013 0.000 1.420 670 I CB 0.512 38.517 38.000 0.010 0.000 1.387 670 I HN 0.372 nan 8.210 nan 0.000 0.553 671 A N 5.456 128.285 122.820 0.015 0.000 2.384 671 A HA 0.444 4.763 4.320 -0.001 0.000 0.312 671 A C -0.621 176.973 177.584 0.016 0.000 1.113 671 A CA -0.735 51.312 52.037 0.017 0.000 0.779 671 A CB 1.123 20.135 19.000 0.019 0.000 1.307 671 A HN 0.606 nan 8.150 nan 0.000 0.436 672 D N 0.399 120.809 120.400 0.018 0.000 2.443 672 D HA 0.250 4.890 4.640 -0.001 0.000 0.234 672 D C 1.706 178.014 176.300 0.015 0.000 1.172 672 D CA 1.469 55.479 54.000 0.017 0.000 0.878 672 D CB 0.960 41.771 40.800 0.018 0.000 1.204 672 D HN 0.575 nan 8.370 nan 0.000 0.453 673 G N 3.099 111.907 108.800 0.013 0.000 2.672 673 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.218 673 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.218 673 G C -0.815 174.093 174.900 0.013 0.000 1.238 673 G CA 0.974 46.082 45.100 0.012 0.000 0.791 673 G HN 0.556 nan 8.290 nan 0.000 0.606 674 P HA -0.060 nan 4.420 nan 0.000 0.219 674 P C 1.671 178.980 177.300 0.016 0.000 1.146 674 P CA 1.829 64.937 63.100 0.014 0.000 0.808 674 P CB -0.349 31.359 31.700 0.013 0.000 0.779 675 T N -0.835 113.730 114.554 0.017 0.000 2.857 675 T HA -0.038 4.311 4.350 -0.001 0.000 0.266 675 T C 1.925 176.636 174.700 0.019 0.000 1.048 675 T CA 0.993 63.105 62.100 0.020 0.000 1.139 675 T CB -0.478 68.403 68.868 0.022 0.000 0.874 675 T HN -0.057 nan 8.240 nan 0.000 0.455 676 M N 1.037 120.647 119.600 0.016 0.000 2.132 676 M HA 0.084 4.563 4.480 -0.001 0.000 0.263 676 M C 2.362 178.672 176.300 0.016 0.000 1.065 676 M CA 1.219 56.528 55.300 0.015 0.000 1.122 676 M CB -0.991 31.617 32.600 0.013 0.000 1.365 676 M HN 0.170 nan 8.290 nan 0.000 0.411 677 R N 0.069 120.579 120.500 0.016 0.000 2.081 677 R HA -0.176 4.163 4.340 -0.001 0.000 0.235 677 R C 2.075 178.385 176.300 0.017 0.000 1.131 677 R CA 1.722 57.831 56.100 0.016 0.000 0.960 677 R CB -0.117 30.191 30.300 0.014 0.000 0.856 677 R HN 0.449 nan 8.270 nan 0.000 0.436 678 E N 0.088 120.299 120.200 0.017 0.000 2.152 678 E HA -0.127 4.222 4.350 -0.001 0.000 0.192 678 E C 1.896 178.508 176.600 0.021 0.000 0.983 678 E CA 0.813 57.224 56.400 0.017 0.000 0.818 678 E CB 0.043 29.753 29.700 0.017 0.000 0.758 678 E HN 0.389 nan 8.360 nan 0.000 0.467 679 I N 0.512 121.096 120.570 0.023 0.000 2.315 679 I HA -0.224 3.946 4.170 -0.001 0.000 0.248 679 I C 2.313 178.449 176.117 0.032 0.000 1.117 679 I CA 1.100 62.416 61.300 0.028 0.000 1.404 679 I CB -0.221 37.794 38.000 0.025 0.000 1.071 679 I HN 0.085 nan 8.210 nan 0.000 0.419 680 T N 0.663 115.234 114.554 0.028 0.000 2.777 680 T HA -0.172 4.178 4.350 -0.001 0.000 0.266 680 T C 1.748 176.467 174.700 0.031 0.000 1.040 680 T CA 1.596 63.716 62.100 0.034 0.000 1.141 680 T CB -0.307 68.579 68.868 0.029 0.000 0.868 680 T HN 0.595 nan 8.240 nan 0.000 0.444 681 E N 1.067 121.281 120.200 0.023 0.000 2.153 681 E HA -0.149 4.201 4.350 -0.001 0.000 0.194 681 E C 1.850 178.457 176.600 0.012 0.000 0.988 681 E CA 1.453 57.862 56.400 0.016 0.000 0.811 681 E CB -0.719 28.987 29.700 0.011 0.000 0.746 681 E HN 0.342 nan 8.360 nan 0.000 0.466 682 T N 1.669 116.233 114.554 0.016 0.000 2.708 682 T HA -0.112 4.238 4.350 -0.001 0.000 0.266 682 T C 1.893 176.602 174.700 0.014 0.000 1.037 682 T CA 1.190 63.297 62.100 0.012 0.000 1.146 682 T CB -0.078 68.805 68.868 0.024 0.000 0.865 682 T HN 0.121 nan 8.240 nan 0.000 0.435 683 I N 1.777 122.372 120.570 0.041 0.000 2.179 683 I HA -0.096 4.074 4.170 -0.001 0.000 0.242 683 I C 2.915 179.051 176.117 0.032 0.000 1.088 683 I CA 1.105 62.445 61.300 0.066 0.000 1.357 683 I CB -1.585 36.487 38.000 0.120 0.000 1.051 683 I HN 0.198 nan 8.210 nan 0.000 0.409 684 A N 0.788 123.625 122.820 0.029 0.000 2.070 684 A HA -0.203 4.116 4.320 -0.001 0.000 0.220 684 A C 2.132 179.712 177.584 -0.005 0.000 1.159 684 A CA 1.671 53.719 52.037 0.019 0.000 0.656 684 A CB -0.669 18.344 19.000 0.022 0.000 0.800 684 A HN 0.694 nan 8.150 nan 0.000 0.453 685 E N -0.955 119.233 120.200 -0.021 0.000 2.385 685 E HA 0.289 4.638 4.350 -0.001 0.000 0.194 685 E C 1.460 178.010 176.600 -0.083 0.000 1.013 685 E CA 0.653 57.026 56.400 -0.044 0.000 0.866 685 E CB -0.108 29.566 29.700 -0.044 0.000 0.832 685 E HN 0.410 nan 8.360 nan 0.000 0.500 686 A N 0.908 123.675 122.820 -0.090 0.000 2.220 686 A HA 0.141 4.460 4.320 -0.001 0.000 0.211 686 A C 1.955 179.471 177.584 -0.113 0.000 1.176 686 A CA -0.124 51.827 52.037 -0.144 0.000 0.834 686 A CB 0.078 18.984 19.000 -0.156 0.000 0.868 686 A HN -0.049 nan 8.150 nan 0.000 0.488 687 K N 0.773 121.130 120.400 -0.071 0.000 2.007 687 K HA -0.036 4.284 4.320 -0.001 0.000 0.206 687 K C 1.518 178.110 176.600 -0.013 0.000 1.047 687 K CA 1.243 57.504 56.287 -0.042 0.000 0.937 687 K CB -0.202 32.297 32.500 -0.002 0.000 0.718 687 K HN 0.397 nan 8.250 nan 0.000 0.438 688 K N 0.798 121.191 120.400 -0.012 0.000 2.288 688 K HA -0.103 4.216 4.320 -0.001 0.000 0.201 688 K C 2.007 178.610 176.600 0.004 0.000 1.048 688 K CA 0.732 57.020 56.287 0.003 0.000 0.956 688 K CB 0.080 32.579 32.500 -0.001 0.000 0.746 688 K HN 0.059 nan 8.250 nan 0.000 0.461 689 K N 0.850 121.230 120.400 -0.033 0.000 2.228 689 K HA -0.025 4.295 4.320 -0.001 0.000 0.202 689 K C 1.749 178.420 176.600 0.118 0.000 1.051 689 K CA 0.409 56.672 56.287 -0.041 0.000 0.960 689 K CB 0.358 32.702 32.500 -0.259 0.000 0.743 689 K HN -0.106 nan 8.250 nan 0.000 0.458 690 V N 1.624 121.608 119.914 0.118 0.000 2.488 690 V HA -0.176 3.944 4.120 -0.001 0.000 0.246 690 V C 2.118 178.304 176.094 0.153 0.000 1.046 690 V CA 0.993 63.395 62.300 0.170 0.000 1.053 690 V CB -0.137 31.718 31.823 0.054 0.000 0.679 690 V HN 0.427 nan 8.190 nan 0.000 0.458 691 L N 0.004 121.291 121.223 0.107 0.000 2.191 691 L HA -0.157 4.183 4.340 -0.001 0.000 0.212 691 L C 1.867 178.801 176.870 0.106 0.000 1.103 691 L CA 2.093 56.995 54.840 0.103 0.000 0.769 691 L CB -0.686 41.413 42.059 0.067 0.000 0.908 691 L HN 0.381 nan 8.230 nan 0.000 0.438 692 D N -1.051 119.413 120.400 0.107 0.000 2.216 692 D HA -0.063 4.577 4.640 -0.001 0.000 0.208 692 D C 2.282 178.654 176.300 0.121 0.000 0.960 692 D CA 0.684 54.740 54.000 0.094 0.000 0.861 692 D CB 0.144 40.987 40.800 0.072 0.000 0.985 692 D HN 0.116 nan 8.370 nan 0.000 0.493 693 V N 0.977 120.998 119.914 0.179 0.000 2.490 693 V HA -0.213 3.906 4.120 -0.001 0.000 0.250 693 V C 2.300 178.531 176.094 0.228 0.000 1.061 693 V CA 1.800 64.218 62.300 0.197 0.000 1.064 693 V CB -0.731 31.216 31.823 0.206 0.000 0.670 693 V HN 0.238 nan 8.190 nan 0.000 0.461 694 T N -0.533 114.186 114.554 0.274 0.000 2.674 694 T HA -0.250 4.099 4.350 -0.001 0.000 0.265 694 T C 1.976 176.683 174.700 0.011 0.000 1.039 694 T CA 1.753 63.964 62.100 0.184 0.000 1.150 694 T CB -0.198 68.796 68.868 0.210 0.000 0.864 694 T HN 0.389 nan 8.240 nan 0.000 0.427 695 K N 0.751 121.178 120.400 0.044 0.000 2.147 695 K HA -0.105 4.214 4.320 -0.001 0.000 0.205 695 K C 2.382 178.982 176.600 0.001 0.000 1.049 695 K CA 1.240 57.536 56.287 0.014 0.000 0.936 695 K CB -0.027 32.492 32.500 0.031 0.000 0.722 695 K HN 0.399 nan 8.250 nan 0.000 0.446 696 E N -0.515 119.697 120.200 0.021 0.000 2.150 696 E HA -0.136 4.214 4.350 -0.001 0.000 0.193 696 E C 1.501 178.091 176.600 -0.018 0.000 0.985 696 E CA 0.878 57.286 56.400 0.014 0.000 0.814 696 E CB 0.030 29.755 29.700 0.041 0.000 0.752 696 E HN 0.390 nan 8.360 nan 0.000 0.466 697 A N 0.265 123.057 122.820 -0.047 0.000 2.072 697 A HA -0.052 4.267 4.320 -0.001 0.000 0.216 697 A C 1.849 179.335 177.584 -0.163 0.000 1.156 697 A CA 0.495 52.461 52.037 -0.118 0.000 0.701 697 A CB -0.044 18.826 19.000 -0.216 0.000 0.816 697 A HN 0.228 nan 8.150 nan 0.000 0.458 698 Q N -0.982 118.733 119.800 -0.142 0.000 2.389 698 Q HA 0.153 4.492 4.340 -0.001 0.000 0.204 698 Q C 1.703 177.654 176.000 -0.081 0.000 0.944 698 Q CA 0.728 56.452 55.803 -0.131 0.000 0.908 698 Q CB -0.012 28.664 28.738 -0.104 0.000 1.002 698 Q HN 0.626 nan 8.270 nan 0.000 0.493 699 A N 0.671 123.455 122.820 -0.059 0.000 2.345 699 A HA 0.038 4.358 4.320 -0.001 0.000 0.225 699 A C 0.612 178.174 177.584 -0.036 0.000 1.243 699 A CA -0.027 51.988 52.037 -0.037 0.000 0.875 699 A CB 0.116 19.103 19.000 -0.021 0.000 0.929 699 A HN 0.364 nan 8.150 nan 0.000 0.502 700 N N -1.320 117.350 118.700 -0.050 0.000 2.753 700 N HA -0.158 4.581 4.740 -0.001 0.000 0.251 700 N C 0.151 175.644 175.510 -0.028 0.000 1.097 700 N CA 1.127 54.150 53.050 -0.044 0.000 0.786 700 N CB -1.752 36.712 38.487 -0.039 0.000 1.137 700 N HN 0.514 nan 8.380 nan 0.000 0.566 701 L N -0.349 120.862 121.223 -0.021 0.000 2.688 701 L HA 0.213 4.552 4.340 -0.001 0.000 0.234 701 L C 0.635 177.503 176.870 -0.003 0.000 1.192 701 L CA -0.069 54.765 54.840 -0.009 0.000 0.984 701 L CB 0.118 42.175 42.059 -0.002 0.000 1.232 701 L HN 0.100 nan 8.230 nan 0.000 0.465 702 L N 1.404 122.620 121.223 -0.011 0.000 2.272 702 L HA 0.289 4.628 4.340 -0.001 0.000 0.284 702 L C 0.107 176.976 176.870 -0.001 0.000 1.045 702 L CA 0.284 55.123 54.840 -0.002 0.000 0.842 702 L CB 1.136 43.189 42.059 -0.009 0.000 1.224 702 L HN 0.077 nan 8.230 nan 0.000 0.430 703 T N 3.888 118.446 114.554 0.007 0.000 2.871 703 T HA 0.191 4.540 4.350 -0.001 0.000 0.296 703 T C 0.526 175.231 174.700 0.008 0.000 0.998 703 T CA -0.084 62.021 62.100 0.009 0.000 1.162 703 T CB 0.495 69.373 68.868 0.016 0.000 0.947 703 T HN 0.704 nan 8.240 nan 0.000 0.536 704 A N 4.743 127.564 122.820 0.003 0.000 2.301 704 A HA 0.450 4.770 4.320 -0.001 0.000 0.298 704 A C 0.436 178.026 177.584 0.009 0.000 1.185 704 A CA -0.766 51.270 52.037 -0.001 0.000 0.830 704 A CB 0.338 19.329 19.000 -0.015 0.000 1.112 704 A HN 0.827 nan 8.150 nan 0.000 0.508 705 K N 0.820 121.229 120.400 0.016 0.000 2.336 705 K HA 0.067 4.386 4.320 -0.001 0.000 0.262 705 K C -0.065 176.563 176.600 0.047 0.000 0.992 705 K CA 0.077 56.389 56.287 0.041 0.000 0.927 705 K CB 0.221 32.743 32.500 0.037 0.000 0.956 705 K HN 0.824 nan 8.250 nan 0.000 0.495 706 H N 0.157 119.232 119.070 0.008 0.000 3.082 706 H HA 0.153 4.708 4.556 -0.001 0.000 0.275 706 H C 0.661 175.995 175.328 0.010 0.000 1.032 706 H CA 1.401 57.453 56.048 0.006 0.000 1.477 706 H CB -0.055 29.710 29.762 0.005 0.000 1.520 706 H HN 0.752 nan 8.280 nan 0.000 0.521 707 G N 4.928 113.577 108.800 -0.251 0.000 2.291 707 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.271 707 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.271 707 G C -0.253 174.621 174.900 -0.043 0.000 1.099 707 G CA 0.265 45.290 45.100 -0.124 0.000 0.919 707 G HN 0.824 nan 8.290 nan 0.000 0.496 708 M N -2.151 117.420 119.600 -0.049 0.000 2.490 708 M HA 0.550 5.029 4.480 -0.001 0.000 0.286 708 M C 0.003 176.289 176.300 -0.023 0.000 1.185 708 M CA -0.987 54.300 55.300 -0.021 0.000 0.912 708 M CB 0.651 33.249 32.600 -0.003 0.000 1.744 708 M HN 0.081 nan 8.290 nan 0.000 0.494 709 T N 1.517 116.065 114.554 -0.011 0.000 2.906 709 T HA 0.158 4.508 4.350 -0.001 0.000 0.320 709 T C 1.274 175.971 174.700 -0.004 0.000 1.088 709 T CA -0.293 61.802 62.100 -0.008 0.000 1.120 709 T CB 0.537 69.408 68.868 0.005 0.000 1.000 709 T HN 0.589 nan 8.240 nan 0.000 0.550 710 L N 1.366 122.582 121.223 -0.012 0.000 2.042 710 L HA -0.102 4.237 4.340 -0.001 0.000 0.210 710 L C 2.878 179.753 176.870 0.008 0.000 1.076 710 L CA 1.739 56.572 54.840 -0.012 0.000 0.749 710 L CB -0.483 41.554 42.059 -0.036 0.000 0.893 710 L HN 0.574 nan 8.230 nan 0.000 0.432 711 R N -0.704 119.798 120.500 0.004 0.000 2.148 711 R HA -0.115 4.225 4.340 -0.001 0.000 0.227 711 R C 2.083 178.445 176.300 0.102 0.000 1.103 711 R CA 1.021 57.144 56.100 0.038 0.000 0.983 711 R CB -0.109 30.203 30.300 0.020 0.000 0.874 711 R HN 0.507 nan 8.270 nan 0.000 0.451 712 E N -0.429 119.805 120.200 0.057 0.000 2.170 712 E HA -0.026 4.323 4.350 -0.001 0.000 0.191 712 E C 1.858 178.470 176.600 0.020 0.000 0.981 712 E CA 0.549 56.973 56.400 0.040 0.000 0.830 712 E CB 0.210 29.922 29.700 0.020 0.000 0.775 712 E HN 0.109 nan 8.360 nan 0.000 0.470 713 S N 0.620 116.335 115.700 0.025 0.000 2.382 713 S HA -0.151 4.318 4.470 -0.001 0.000 0.228 713 S C 1.498 176.095 174.600 -0.004 0.000 1.027 713 S CA 0.854 59.056 58.200 0.003 0.000 0.991 713 S CB -0.204 63.003 63.200 0.012 0.000 0.823 713 S HN 0.281 nan 8.310 nan 0.000 0.469 714 F N 2.675 122.562 119.950 -0.105 0.000 2.039 714 F HA -0.066 4.460 4.527 -0.001 0.000 0.294 714 F C 2.343 178.065 175.800 -0.129 0.000 1.130 714 F CA 1.481 59.403 58.000 -0.129 0.000 1.189 714 F CB -0.580 38.343 39.000 -0.128 0.000 0.983 714 F HN 0.027 nan 8.300 nan 0.000 0.471 715 E N 0.518 120.602 120.200 -0.192 0.000 2.048 715 E HA -0.339 4.010 4.350 -0.001 0.000 0.202 715 E C 1.967 178.408 176.600 -0.265 0.000 1.021 715 E CA 2.011 58.264 56.400 -0.246 0.000 0.825 715 E CB -1.072 28.605 29.700 -0.037 0.000 0.756 715 E HN 0.540 nan 8.360 nan 0.000 0.454 716 D N 0.366 120.664 120.400 -0.170 0.000 2.170 716 D HA -0.188 4.452 4.640 -0.001 0.000 0.193 716 D C 1.675 177.818 176.300 -0.262 0.000 1.004 716 D CA 1.508 55.411 54.000 -0.162 0.000 0.860 716 D CB -0.075 40.663 40.800 -0.103 0.000 0.931 716 D HN 0.035 nan 8.370 nan 0.000 0.448 717 N N -0.595 117.872 118.700 -0.389 0.000 2.106 717 N HA -0.103 4.636 4.740 -0.001 0.000 0.188 717 N C 1.949 176.974 175.510 -0.808 0.000 1.029 717 N CA 1.129 53.774 53.050 -0.674 0.000 0.848 717 N CB -0.387 37.643 38.487 -0.762 0.000 1.007 717 N HN 0.171 nan 8.380 nan 0.000 0.423 718 V N 0.781 120.292 119.914 -0.671 0.000 2.453 718 V HA -0.116 4.003 4.120 -0.001 0.000 0.247 718 V C 2.437 178.370 176.094 -0.269 0.000 1.048 718 V CA 0.915 62.914 62.300 -0.501 0.000 1.049 718 V CB -0.508 30.934 31.823 -0.635 0.000 0.672 718 V HN 0.027 nan 8.190 nan 0.000 0.457 719 V N 0.062 119.832 119.914 -0.240 0.000 2.237 719 V HA -0.287 3.833 4.120 -0.001 0.000 0.245 719 V C 2.571 178.628 176.094 -0.062 0.000 1.046 719 V CA 2.417 64.642 62.300 -0.125 0.000 1.007 719 V CB -0.796 30.966 31.823 -0.101 0.000 0.638 719 V HN 0.414 nan 8.190 nan 0.000 0.445 720 R N -0.926 119.532 120.500 -0.069 0.000 2.117 720 R HA -0.161 4.178 4.340 -0.001 0.000 0.243 720 R C 2.326 178.717 176.300 0.152 0.000 1.143 720 R CA 1.848 57.960 56.100 0.019 0.000 0.968 720 R CB -0.341 29.958 30.300 -0.003 0.000 0.863 720 R HN 0.548 nan 8.270 nan 0.000 0.444 721 F N 0.051 119.934 119.950 -0.112 0.000 2.186 721 F HA -0.194 4.332 4.527 -0.001 0.000 0.299 721 F C 2.047 177.753 175.800 -0.157 0.000 1.090 721 F CA 0.472 58.398 58.000 -0.124 0.000 1.307 721 F CB 0.065 38.976 39.000 -0.148 0.000 1.019 721 F HN 0.050 nan 8.300 nan 0.000 0.489 722 L N -0.545 120.670 121.223 -0.013 0.000 2.209 722 L HA -0.144 4.196 4.340 -0.001 0.000 0.207 722 L C 1.938 178.807 176.870 -0.001 0.000 1.094 722 L CA 0.467 55.182 54.840 -0.209 0.000 0.790 722 L CB -0.577 41.211 42.059 -0.452 0.000 0.932 722 L HN 0.057 nan 8.230 nan 0.000 0.447 723 N N 0.296 119.026 118.700 0.051 0.000 2.188 723 N HA -0.177 4.562 4.740 -0.001 0.000 0.184 723 N C 1.688 177.251 175.510 0.088 0.000 1.018 723 N CA 1.140 54.244 53.050 0.089 0.000 0.858 723 N CB -0.076 38.451 38.487 0.067 0.000 0.989 723 N HN 0.404 nan 8.380 nan 0.000 0.426 724 E N 0.568 120.808 120.200 0.066 0.000 2.153 724 E HA -0.091 4.259 4.350 -0.001 0.000 0.194 724 E C 1.757 178.386 176.600 0.047 0.000 0.988 724 E CA 0.967 57.396 56.400 0.049 0.000 0.811 724 E CB -0.011 29.704 29.700 0.024 0.000 0.746 724 E HN 0.360 nan 8.360 nan 0.000 0.466 725 A N 1.277 124.121 122.820 0.040 0.000 1.930 725 A HA -0.129 4.190 4.320 -0.001 0.000 0.215 725 A C 2.064 179.723 177.584 0.126 0.000 1.176 725 A CA 1.002 53.070 52.037 0.052 0.000 0.632 725 A CB -0.291 18.709 19.000 -0.001 0.000 0.819 725 A HN 0.060 nan 8.150 nan 0.000 0.445 726 R N -0.256 120.349 120.500 0.175 0.000 2.092 726 R HA -0.144 4.196 4.340 -0.001 0.000 0.231 726 R C 0.975 177.359 176.300 0.140 0.000 1.119 726 R CA 1.815 58.011 56.100 0.160 0.000 0.970 726 R CB -0.218 30.174 30.300 0.154 0.000 0.864 726 R HN 0.438 nan 8.270 nan 0.000 0.440 727 D N 0.014 120.515 120.400 0.169 0.000 2.213 727 D HA -0.103 4.536 4.640 -0.001 0.000 0.205 727 D C 1.613 178.035 176.300 0.203 0.000 0.961 727 D CA 0.854 55.005 54.000 0.252 0.000 0.853 727 D CB 0.031 40.950 40.800 0.199 0.000 0.967 727 D HN 0.210 nan 8.370 nan 0.000 0.496 728 K N 1.072 121.542 120.400 0.117 0.000 2.148 728 K HA -0.043 4.276 4.320 -0.001 0.000 0.204 728 K C 1.937 178.596 176.600 0.098 0.000 1.050 728 K CA 1.038 57.375 56.287 0.084 0.000 0.942 728 K CB 0.091 32.615 32.500 0.041 0.000 0.724 728 K HN -0.017 nan 8.250 nan 0.000 0.446 729 A N 0.543 123.424 122.820 0.101 0.000 1.855 729 A HA -0.023 4.297 4.320 -0.001 0.000 0.215 729 A C 2.361 179.999 177.584 0.090 0.000 1.191 729 A CA 1.767 53.851 52.037 0.080 0.000 0.613 729 A CB -1.300 17.740 19.000 0.067 0.000 0.829 729 A HN 0.504 nan 8.150 nan 0.000 0.442 730 G N -0.583 108.290 108.800 0.121 0.000 2.433 730 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.216 730 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.216 730 G C 1.739 176.832 174.900 0.322 0.000 1.186 730 G CA 0.859 46.016 45.100 0.095 0.000 0.779 730 G HN 0.535 nan 8.290 nan 0.000 0.543 731 R N -0.361 120.433 120.500 0.489 0.000 2.117 731 R HA 0.018 4.358 4.340 -0.001 0.000 0.243 731 R C 2.583 178.987 176.300 0.173 0.000 1.143 731 R CA 0.961 57.249 56.100 0.313 0.000 0.968 731 R CB -0.491 29.865 30.300 0.094 0.000 0.863 731 R HN 0.340 nan 8.270 nan 0.000 0.444 732 L N 0.075 121.376 121.223 0.130 0.000 2.046 732 L HA -0.158 4.181 4.340 -0.001 0.000 0.208 732 L C 2.417 179.333 176.870 0.076 0.000 1.077 732 L CA 1.287 56.175 54.840 0.081 0.000 0.747 732 L CB -0.296 41.799 42.059 0.061 0.000 0.896 732 L HN 0.229 nan 8.230 nan 0.000 0.432 733 A N -0.911 121.958 122.820 0.083 0.000 1.969 733 A HA -0.249 4.071 4.320 -0.001 0.000 0.218 733 A C 2.185 179.815 177.584 0.077 0.000 1.169 733 A CA 1.646 53.719 52.037 0.060 0.000 0.635 733 A CB -0.446 18.572 19.000 0.031 0.000 0.810 733 A HN 0.534 nan 8.150 nan 0.000 0.445 734 E N -0.060 120.217 120.200 0.128 0.000 2.152 734 E HA -0.097 4.252 4.350 -0.001 0.000 0.192 734 E C 1.722 178.380 176.600 0.097 0.000 0.983 734 E CA 1.152 57.636 56.400 0.139 0.000 0.818 734 E CB -0.051 29.797 29.700 0.246 0.000 0.758 734 E HN 0.344 nan 8.360 nan 0.000 0.467 735 V N 1.645 121.608 119.914 0.082 0.000 2.490 735 V HA -0.233 3.887 4.120 -0.001 0.000 0.250 735 V C 2.187 178.309 176.094 0.047 0.000 1.061 735 V CA 1.928 64.261 62.300 0.055 0.000 1.064 735 V CB -0.747 31.102 31.823 0.043 0.000 0.670 735 V HN 0.332 nan 8.190 nan 0.000 0.461 736 N N -0.214 118.515 118.700 0.048 0.000 2.409 736 N HA -0.025 4.714 4.740 -0.001 0.000 0.179 736 N C 0.616 176.150 175.510 0.039 0.000 1.032 736 N CA 0.361 53.434 53.050 0.039 0.000 0.898 736 N CB -0.274 38.235 38.487 0.035 0.000 0.971 736 N HN 0.450 nan 8.380 nan 0.000 0.441 737 L N 2.026 123.277 121.223 0.047 0.000 2.513 737 L HA 0.003 4.343 4.340 -0.001 0.000 0.272 737 L C 0.812 177.709 176.870 0.045 0.000 1.187 737 L CA 0.150 55.019 54.840 0.047 0.000 0.895 737 L CB 0.404 42.496 42.059 0.056 0.000 1.147 737 L HN 0.238 nan 8.230 nan 0.000 0.483 738 K N 2.321 122.746 120.400 0.042 0.000 2.233 738 K HA 0.071 4.390 4.320 -0.001 0.000 0.239 738 K C 0.169 176.796 176.600 0.045 0.000 1.064 738 K CA -0.779 55.532 56.287 0.040 0.000 0.884 738 K CB 0.532 33.054 32.500 0.037 0.000 1.166 738 K HN 0.424 nan 8.250 nan 0.000 0.512 739 D N 0.234 120.659 120.400 0.042 0.000 2.289 739 D HA -0.013 4.626 4.640 -0.001 0.000 0.207 739 D C 1.419 177.751 176.300 0.053 0.000 0.966 739 D CA 0.731 54.757 54.000 0.043 0.000 0.868 739 D CB -0.015 40.805 40.800 0.033 0.000 0.943 739 D HN 0.374 nan 8.370 nan 0.000 0.514 740 L N -1.168 120.089 121.223 0.057 0.000 2.592 740 L HA 0.281 4.620 4.340 -0.001 0.000 0.227 740 L C 0.441 177.362 176.870 0.086 0.000 1.127 740 L CA -0.302 54.580 54.840 0.070 0.000 0.884 740 L CB -0.774 41.321 42.059 0.059 0.000 1.065 740 L HN -0.260 nan 8.230 nan 0.000 0.457 741 N N 0.957 119.705 118.700 0.080 0.000 2.442 741 N HA 0.056 4.795 4.740 -0.001 0.000 0.265 741 N C 0.876 176.463 175.510 0.127 0.000 1.138 741 N CA -0.094 53.006 53.050 0.084 0.000 0.956 741 N CB 0.450 38.977 38.487 0.066 0.000 1.067 741 N HN 0.165 nan 8.380 nan 0.000 0.474 742 N N 2.520 121.306 118.700 0.143 0.000 2.120 742 N HA -0.152 4.587 4.740 -0.001 0.000 0.188 742 N C 1.257 176.908 175.510 0.236 0.000 1.024 742 N CA 1.201 54.398 53.050 0.247 0.000 0.852 742 N CB -0.026 38.495 38.487 0.056 0.000 1.003 742 N HN 0.336 nan 8.380 nan 0.000 0.424 743 V N 1.808 121.797 119.914 0.125 0.000 2.295 743 V HA -0.228 3.892 4.120 -0.001 0.000 0.246 743 V C 2.464 178.628 176.094 0.117 0.000 1.049 743 V CA 1.563 63.928 62.300 0.109 0.000 1.024 743 V CB -0.574 31.288 31.823 0.065 0.000 0.648 743 V HN 0.298 nan 8.190 nan 0.000 0.447 744 K N -0.278 120.184 120.400 0.103 0.000 2.152 744 K HA -0.232 4.088 4.320 -0.001 0.000 0.206 744 K C 2.243 178.895 176.600 0.086 0.000 1.048 744 K CA 1.606 57.946 56.287 0.089 0.000 0.933 744 K CB -0.121 32.426 32.500 0.077 0.000 0.721 744 K HN 0.519 nan 8.250 nan 0.000 0.447 745 Q N -0.548 119.315 119.800 0.105 0.000 2.297 745 Q HA -0.042 4.298 4.340 -0.001 0.000 0.204 745 Q C 1.868 177.887 176.000 0.032 0.000 0.962 745 Q CA 1.043 56.880 55.803 0.057 0.000 0.879 745 Q CB 0.156 28.924 28.738 0.050 0.000 0.947 745 Q HN 0.407 nan 8.270 nan 0.000 0.462 746 M N -0.975 118.691 119.600 0.109 0.000 2.357 746 M HA -0.087 4.392 4.480 -0.001 0.000 0.266 746 M C 2.023 178.365 176.300 0.069 0.000 1.095 746 M CA 0.640 55.997 55.300 0.097 0.000 1.156 746 M CB 0.334 33.039 32.600 0.174 0.000 1.365 746 M HN 0.001 nan 8.290 nan 0.000 0.447 747 V N 0.468 120.429 119.914 0.078 0.000 2.407 747 V HA -0.283 3.836 4.120 -0.001 0.000 0.248 747 V C 2.284 178.410 176.094 0.054 0.000 1.055 747 V CA 1.712 64.054 62.300 0.071 0.000 1.049 747 V CB -0.574 31.300 31.823 0.085 0.000 0.662 747 V HN 0.499 nan 8.190 nan 0.000 0.455 748 M N -0.372 119.253 119.600 0.043 0.000 2.156 748 M HA -0.073 4.407 4.480 -0.001 0.000 0.264 748 M C 2.294 178.600 176.300 0.010 0.000 1.067 748 M CA 1.938 57.253 55.300 0.025 0.000 1.131 748 M CB -0.383 32.227 32.600 0.017 0.000 1.368 748 M HN 0.376 nan 8.290 nan 0.000 0.416 749 A N -0.332 122.488 122.820 0.000 0.000 1.969 749 A HA 0.145 4.464 4.320 -0.001 0.000 0.218 749 A C 1.614 179.202 177.584 0.006 0.000 1.169 749 A CA 1.275 53.305 52.037 -0.012 0.000 0.635 749 A CB -1.012 17.969 19.000 -0.032 0.000 0.810 749 A HN 0.675 nan 8.150 nan 0.000 0.445 750 G N -0.693 108.121 108.800 0.023 0.000 2.204 750 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.244 750 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.244 750 G C 0.826 175.749 174.900 0.038 0.000 1.062 750 G CA 1.195 46.315 45.100 0.032 0.000 0.798 750 G HN 1.442 nan 8.290 nan 0.000 0.496 751 S N -1.343 114.384 115.700 0.044 0.000 2.384 751 S HA 0.429 4.898 4.470 -0.001 0.000 0.217 751 S C 0.923 175.559 174.600 0.060 0.000 1.041 751 S CA 1.297 59.529 58.200 0.053 0.000 0.948 751 S CB 0.654 63.890 63.200 0.060 0.000 0.872 751 S HN 0.527 nan 8.310 nan 0.000 0.512 752 K N -0.122 120.319 120.400 0.069 0.000 2.533 752 K HA 0.566 4.885 4.320 -0.001 0.000 0.272 752 K C -0.808 175.830 176.600 0.064 0.000 0.985 752 K CA -0.216 56.107 56.287 0.061 0.000 0.876 752 K CB 1.979 34.512 32.500 0.055 0.000 1.452 752 K HN 0.638 nan 8.250 nan 0.000 0.439 753 G N 0.727 109.561 108.800 0.057 0.000 2.692 753 G HA2 -0.048 3.911 3.960 -0.001 0.000 0.686 753 G HA3 -0.048 3.911 3.960 -0.001 0.000 0.686 753 G C -0.828 174.113 174.900 0.068 0.000 1.243 753 G CA -0.312 44.823 45.100 0.059 0.000 0.782 753 G HN 0.832 nan 8.290 nan 0.000 0.625 754 S N 0.218 115.961 115.700 0.073 0.000 2.643 754 S HA 0.699 5.168 4.470 -0.001 0.000 0.270 754 S C 0.632 175.304 174.600 0.120 0.000 1.166 754 S CA 0.231 58.495 58.200 0.106 0.000 0.815 754 S CB 1.325 64.588 63.200 0.105 0.000 1.139 754 S HN 1.915 nan 8.310 nan 0.000 0.472 755 F N 2.075 122.044 119.950 0.032 0.000 2.063 755 F HA -0.220 4.307 4.527 -0.001 0.000 0.298 755 F C 1.910 177.730 175.800 0.033 0.000 1.105 755 F CA 2.340 60.358 58.000 0.030 0.000 1.215 755 F CB -0.532 38.483 39.000 0.024 0.000 0.972 755 F HN 0.567 nan 8.300 nan 0.000 0.483 756 I N 0.663 121.145 120.570 -0.146 0.000 2.113 756 I HA -0.393 3.776 4.170 -0.001 0.000 0.242 756 I C 2.159 178.132 176.117 -0.239 0.000 1.064 756 I CA 1.786 62.936 61.300 -0.250 0.000 1.320 756 I CB -2.072 35.913 38.000 -0.025 0.000 1.028 756 I HN 0.278 nan 8.210 nan 0.000 0.406 757 N N 1.506 120.146 118.700 -0.100 0.000 2.091 757 N HA -0.203 4.537 4.740 -0.001 0.000 0.193 757 N C 1.963 177.435 175.510 -0.064 0.000 1.021 757 N CA 1.723 54.751 53.050 -0.036 0.000 0.862 757 N CB -0.352 38.140 38.487 0.009 0.000 1.018 757 N HN 0.500 nan 8.380 nan 0.000 0.429 758 I N 0.832 121.321 120.570 -0.135 0.000 2.202 758 I HA -0.173 3.996 4.170 -0.001 0.000 0.242 758 I C 2.483 178.488 176.117 -0.187 0.000 1.091 758 I CA 0.932 62.157 61.300 -0.125 0.000 1.368 758 I CB -0.534 37.409 38.000 -0.095 0.000 1.058 758 I HN 0.032 nan 8.210 nan 0.000 0.410 759 A N 0.790 123.384 122.820 -0.376 0.000 1.858 759 A HA -0.254 4.066 4.320 -0.001 0.000 0.216 759 A C 2.314 179.770 177.584 -0.213 0.000 1.190 759 A CA 1.703 53.540 52.037 -0.334 0.000 0.617 759 A CB -0.760 17.930 19.000 -0.516 0.000 0.827 759 A HN 0.480 nan 8.150 nan 0.000 0.443 760 Q N -1.055 118.622 119.800 -0.206 0.000 2.084 760 Q HA -0.143 4.197 4.340 -0.001 0.000 0.202 760 Q C 2.284 178.178 176.000 -0.178 0.000 0.978 760 Q CA 1.697 57.364 55.803 -0.227 0.000 0.844 760 Q CB -0.281 28.375 28.738 -0.135 0.000 0.898 760 Q HN 0.709 nan 8.270 nan 0.000 0.426 761 M N 0.021 119.627 119.600 0.010 0.000 2.077 761 M HA -0.129 4.351 4.480 -0.001 0.000 0.261 761 M C 2.300 178.614 176.300 0.023 0.000 1.070 761 M CA 1.749 57.117 55.300 0.113 0.000 1.125 761 M CB -0.083 32.588 32.600 0.119 0.000 1.339 761 M HN 0.180 nan 8.290 nan 0.000 0.409 762 S N -0.419 115.269 115.700 -0.019 0.000 2.468 762 S HA 0.273 4.742 4.470 -0.001 0.000 0.226 762 S C 1.859 176.436 174.600 -0.038 0.000 1.051 762 S CA 0.297 58.487 58.200 -0.018 0.000 0.943 762 S CB -0.106 63.091 63.200 -0.005 0.000 0.810 762 S HN 0.399 nan 8.310 nan 0.000 0.509 763 A N 1.431 124.213 122.820 -0.064 0.000 1.982 763 A HA 0.556 4.875 4.320 -0.001 0.000 0.217 763 A C 1.103 178.641 177.584 -0.077 0.000 1.457 763 A CA 0.859 52.864 52.037 -0.053 0.000 0.654 763 A CB -0.666 18.313 19.000 -0.035 0.000 1.150 763 A HN 1.084 nan 8.150 nan 0.000 0.509 764 C N -2.814 116.414 119.300 -0.119 0.000 3.285 764 C HA 0.606 5.066 4.460 -0.001 0.000 0.325 764 C C 1.148 175.978 174.990 -0.266 0.000 1.304 764 C CA -0.088 58.817 59.018 -0.189 0.000 1.319 764 C CB 0.845 28.489 27.740 -0.160 0.000 1.640 764 C HN 1.112 nan 8.230 nan 0.000 0.477 765 V N 0.976 120.667 119.914 -0.371 0.000 3.129 765 V HA 0.573 4.692 4.120 -0.001 0.000 0.259 765 V C 1.323 177.223 176.094 -0.323 0.000 1.116 765 V CA 1.997 64.056 62.300 -0.401 0.000 1.127 765 V CB -1.098 30.410 31.823 -0.525 0.000 0.742 765 V HN 2.898 nan 8.190 nan 0.000 0.474 766 G N 0.390 108.936 108.800 -0.423 0.000 2.693 766 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.226 766 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.226 766 G C -0.401 174.270 174.900 -0.380 0.000 1.354 766 G CA 0.293 45.154 45.100 -0.398 0.000 0.873 766 G HN 1.055 nan 8.290 nan 0.000 0.562 767 Q N -0.564 119.264 119.800 0.047 0.000 2.421 767 Q HA 0.560 4.899 4.340 -0.001 0.000 0.255 767 Q C 0.049 176.025 176.000 -0.040 0.000 1.013 767 Q CA 0.735 56.616 55.803 0.131 0.000 0.895 767 Q CB 0.761 29.634 28.738 0.224 0.000 1.271 767 Q HN 0.718 nan 8.270 nan 0.000 0.460 768 Q N 0.884 120.652 119.800 -0.054 0.000 2.325 768 Q HA 0.520 4.860 4.340 -0.001 0.000 0.270 768 Q C -1.625 174.336 176.000 -0.066 0.000 1.020 768 Q CA -0.339 55.411 55.803 -0.089 0.000 0.785 768 Q CB 1.748 30.433 28.738 -0.088 0.000 1.259 768 Q HN 0.730 nan 8.270 nan 0.000 0.452 769 S N 1.387 117.054 115.700 -0.055 0.000 2.578 769 S HA 0.901 5.370 4.470 -0.001 0.000 0.301 769 S C -0.908 173.669 174.600 -0.039 0.000 1.091 769 S CA -0.637 57.535 58.200 -0.047 0.000 1.032 769 S CB 1.556 64.737 63.200 -0.033 0.000 1.064 769 S HN 0.328 nan 8.310 nan 0.000 0.508 770 V N 1.758 121.649 119.914 -0.038 0.000 2.524 770 V HA 0.558 4.678 4.120 -0.001 0.000 0.297 770 V C -0.218 175.864 176.094 -0.020 0.000 1.035 770 V CA -0.571 61.713 62.300 -0.027 0.000 0.867 770 V CB 0.489 32.297 31.823 -0.026 0.000 1.004 770 V HN 1.184 nan 8.190 nan 0.000 0.426 771 E N 3.575 123.767 120.200 -0.013 0.000 2.257 771 E HA -0.203 4.146 4.350 -0.001 0.000 0.217 771 E C 1.194 177.789 176.600 -0.007 0.000 1.248 771 E CA 1.147 57.543 56.400 -0.006 0.000 0.691 771 E CB -1.102 28.596 29.700 -0.003 0.000 1.185 771 E HN 1.649 nan 8.360 nan 0.000 0.377 772 G N 0.193 108.988 108.800 -0.009 0.000 5.229 772 G HA2 -0.450 3.510 3.960 -0.001 0.000 0.250 772 G HA3 -0.450 3.510 3.960 -0.001 0.000 0.250 772 G C 0.187 175.077 174.900 -0.017 0.000 1.380 772 G CA 0.690 45.785 45.100 -0.009 0.000 0.933 772 G HN 0.370 nan 8.290 nan 0.000 0.731 773 K N 2.780 123.169 120.400 -0.018 0.000 2.258 773 K HA 0.528 4.848 4.320 -0.001 0.000 0.264 773 K C 1.205 177.773 176.600 -0.052 0.000 1.007 773 K CA -0.013 56.256 56.287 -0.029 0.000 0.941 773 K CB 0.392 32.882 32.500 -0.017 0.000 0.966 773 K HN 0.868 nan 8.250 nan 0.000 0.480 774 R N 1.561 122.018 120.500 -0.071 0.000 2.863 774 R HA 0.125 4.465 4.340 -0.001 0.000 0.273 774 R C -0.044 176.158 176.300 -0.162 0.000 1.057 774 R CA -0.600 55.435 56.100 -0.108 0.000 1.191 774 R CB -0.044 30.189 30.300 -0.112 0.000 1.104 774 R HN 0.407 nan 8.270 nan 0.000 0.519 775 I N 1.321 121.757 120.570 -0.223 0.000 2.742 775 I HA -0.037 4.132 4.170 -0.001 0.000 0.287 775 I C 0.865 176.799 176.117 -0.304 0.000 1.186 775 I CA 0.345 61.498 61.300 -0.245 0.000 1.417 775 I CB -0.607 37.171 38.000 -0.370 0.000 1.377 775 I HN 0.720 nan 8.210 nan 0.000 0.556 776 A N 7.290 129.988 122.820 -0.203 0.000 2.271 776 A HA 0.559 4.878 4.320 -0.001 0.000 0.288 776 A C -0.280 177.177 177.584 -0.212 0.000 1.094 776 A CA -0.530 51.361 52.037 -0.242 0.000 0.828 776 A CB 0.194 19.150 19.000 -0.073 0.000 1.091 776 A HN 0.516 nan 8.150 nan 0.000 0.493 777 F N 1.411 121.370 119.950 0.015 0.000 2.502 777 F HA 0.271 4.798 4.527 -0.001 0.000 0.361 777 F C 1.607 177.453 175.800 0.077 0.000 1.157 777 F CA 0.721 58.757 58.000 0.060 0.000 1.096 777 F CB 0.305 39.322 39.000 0.028 0.000 1.141 777 F HN 0.710 nan 8.300 nan 0.000 0.579 778 G N 4.029 112.974 108.800 0.241 0.000 2.473 778 G HA2 -0.055 3.905 3.960 -0.001 0.000 0.212 778 G HA3 -0.055 3.905 3.960 -0.001 0.000 0.212 778 G C 0.366 175.269 174.900 0.005 0.000 1.211 778 G CA -0.194 44.939 45.100 0.055 0.000 0.813 778 G HN 0.337 nan 8.290 nan 0.000 0.541 779 F N 0.527 120.559 119.950 0.138 0.000 2.539 779 F HA 0.270 4.796 4.527 -0.001 0.000 0.340 779 F C 0.978 176.841 175.800 0.104 0.000 1.185 779 F CA -0.717 57.343 58.000 0.100 0.000 1.333 779 F CB 0.566 39.618 39.000 0.086 0.000 1.152 779 F HN -0.194 nan 8.300 nan 0.000 0.602 780 V N 2.658 122.725 119.914 0.254 0.000 2.486 780 V HA -0.156 3.963 4.120 -0.001 0.000 0.290 780 V C 0.066 176.187 176.094 0.044 0.000 0.991 780 V CA 0.829 63.199 62.300 0.117 0.000 1.142 780 V CB -0.866 31.002 31.823 0.074 0.000 0.926 780 V HN 0.902 nan 8.190 nan 0.000 0.472 781 D N 2.018 122.355 120.400 -0.104 0.000 3.077 781 D HA -0.210 4.430 4.640 -0.001 0.000 0.217 781 D C 0.443 176.464 176.300 -0.465 0.000 1.162 781 D CA 1.900 55.594 54.000 -0.510 0.000 0.943 781 D CB -0.484 40.124 40.800 -0.321 0.000 1.122 781 D HN 0.920 nan 8.370 nan 0.000 0.413 782 R N -2.620 117.978 120.500 0.162 0.000 2.707 782 R HA 0.671 5.011 4.340 -0.001 0.000 0.272 782 R C 0.630 177.361 176.300 0.719 0.000 1.011 782 R CA -0.724 55.694 56.100 0.530 0.000 0.893 782 R CB 0.974 31.451 30.300 0.294 0.000 1.233 782 R HN -0.162 nan 8.270 nan 0.000 0.464 783 T N 0.638 115.585 114.554 0.655 0.000 2.770 783 T HA 0.081 4.430 4.350 -0.001 0.000 0.263 783 T C 0.901 176.032 174.700 0.719 0.000 1.039 783 T CA 0.732 63.162 62.100 0.551 0.000 1.142 783 T CB -0.152 68.991 68.868 0.458 0.000 0.868 783 T HN 0.326 nan 8.240 nan 0.000 0.435 784 L N 0.547 122.154 121.223 0.639 0.000 2.283 784 L HA 0.410 4.749 4.340 -0.001 0.000 0.259 784 L C -2.075 174.621 176.870 -0.291 0.000 1.027 784 L CA -2.541 52.438 54.840 0.232 0.000 0.828 784 L CB 2.203 44.359 42.059 0.162 0.000 1.380 784 L HN -0.189 nan 8.230 nan 0.000 0.425 785 P HA 0.060 nan 4.420 nan 0.000 0.261 785 P C 0.459 177.366 177.300 -0.654 0.000 1.352 785 P CA 0.541 63.142 63.100 -0.833 0.000 0.891 785 P CB 0.051 31.110 31.700 -1.069 0.000 1.383 786 H N -1.289 117.524 119.070 -0.429 0.000 2.563 786 H HA 0.220 4.775 4.556 -0.001 0.000 0.264 786 H C 0.555 175.680 175.328 -0.337 0.000 0.957 786 H CA 0.217 56.019 56.048 -0.410 0.000 1.173 786 H CB -0.045 29.375 29.762 -0.569 0.000 1.420 786 H HN 0.212 nan 8.280 nan 0.000 0.551 787 F N 0.745 120.754 119.950 0.099 0.000 2.450 787 F HA 0.305 4.831 4.527 -0.001 0.000 0.328 787 F C 0.981 176.807 175.800 0.042 0.000 1.068 787 F CA -1.177 56.883 58.000 0.099 0.000 1.007 787 F CB 1.178 40.270 39.000 0.153 0.000 1.251 787 F HN -0.202 nan 8.300 nan 0.000 0.492 788 S N 0.340 116.209 115.700 0.280 0.000 2.624 788 S HA 0.198 4.668 4.470 -0.001 0.000 0.263 788 S C -0.232 174.444 174.600 0.128 0.000 1.287 788 S CA -0.964 57.324 58.200 0.146 0.000 0.990 788 S CB 0.546 63.814 63.200 0.113 0.000 0.950 788 S HN 0.363 nan 8.310 nan 0.000 0.561 789 K N 1.416 121.847 120.400 0.052 0.000 2.319 789 K HA 0.077 4.397 4.320 -0.001 0.000 0.265 789 K C -0.475 176.110 176.600 -0.024 0.000 1.000 789 K CA -0.088 56.191 56.287 -0.012 0.000 0.943 789 K CB 0.114 32.589 32.500 -0.043 0.000 0.950 789 K HN 0.549 nan 8.250 nan 0.000 0.485 790 D N 1.838 122.151 120.400 -0.145 0.000 2.716 790 D HA -0.154 4.485 4.640 -0.001 0.000 0.239 790 D C -0.862 175.520 176.300 0.136 0.000 1.125 790 D CA 1.036 55.013 54.000 -0.038 0.000 0.681 790 D CB -0.730 40.084 40.800 0.023 0.000 1.070 790 D HN 0.569 nan 8.370 nan 0.000 0.432 791 D N -0.184 120.294 120.400 0.129 0.000 2.458 791 D HA 0.173 4.813 4.640 -0.001 0.000 0.258 791 D C 0.379 176.760 176.300 0.135 0.000 1.134 791 D CA -0.555 53.535 54.000 0.150 0.000 0.915 791 D CB -0.042 40.803 40.800 0.074 0.000 1.028 791 D HN 0.080 nan 8.370 nan 0.000 0.508 792 Y N 1.085 121.491 120.300 0.176 0.000 2.490 792 Y HA 0.052 4.602 4.550 -0.001 0.000 0.281 792 Y C 1.540 177.514 175.900 0.124 0.000 1.174 792 Y CA -0.096 58.127 58.100 0.206 0.000 1.295 792 Y CB -0.189 38.448 38.460 0.295 0.000 1.062 792 Y HN 0.254 nan 8.280 nan 0.000 0.522 793 S N 1.291 117.093 115.700 0.171 0.000 2.553 793 S HA -0.070 4.399 4.470 -0.001 0.000 0.271 793 S C -1.349 173.254 174.600 0.006 0.000 1.362 793 S CA -0.804 57.446 58.200 0.082 0.000 1.010 793 S CB 0.389 63.607 63.200 0.030 0.000 0.865 793 S HN 0.120 nan 8.310 nan 0.000 0.543 794 P HA -0.164 nan 4.420 nan 0.000 0.216 794 P C 1.455 178.787 177.300 0.053 0.000 1.153 794 P CA 1.456 64.550 63.100 -0.009 0.000 0.848 794 P CB -0.158 31.510 31.700 -0.053 0.000 0.787 795 E N 0.130 120.366 120.200 0.061 0.000 2.268 795 E HA -0.097 4.252 4.350 -0.001 0.000 0.195 795 E C 1.927 178.518 176.600 -0.015 0.000 0.995 795 E CA 1.085 57.547 56.400 0.103 0.000 0.836 795 E CB -0.954 28.827 29.700 0.134 0.000 0.763 795 E HN 0.193 nan 8.360 nan 0.000 0.491 796 S N -0.111 115.407 115.700 -0.304 0.000 2.528 796 S HA 0.063 4.532 4.470 -0.001 0.000 0.219 796 S C 1.407 175.730 174.600 -0.462 0.000 0.985 796 S CA 0.004 57.791 58.200 -0.688 0.000 0.914 796 S CB 0.121 62.820 63.200 -0.835 0.000 0.776 796 S HN 0.037 nan 8.310 nan 0.000 0.526 797 K N 0.323 120.493 120.400 -0.384 0.000 2.438 797 K HA 0.277 4.597 4.320 -0.001 0.000 0.205 797 K C 0.657 176.986 176.600 -0.452 0.000 1.033 797 K CA 0.530 56.556 56.287 -0.436 0.000 1.089 797 K CB 0.843 33.169 32.500 -0.291 0.000 0.857 797 K HN 0.395 nan 8.250 nan 0.000 0.522 798 G N 1.999 110.500 108.800 -0.498 0.000 2.141 798 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.195 798 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.195 798 G C -0.443 174.438 174.900 -0.032 0.000 1.012 798 G CA -0.498 44.346 45.100 -0.427 0.000 0.696 798 G HN 0.271 nan 8.290 nan 0.000 0.508 799 F N 1.843 121.742 119.950 -0.085 0.000 2.413 799 F HA 0.557 5.083 4.527 -0.001 0.000 0.359 799 F C 0.520 176.346 175.800 0.042 0.000 1.122 799 F CA -0.773 57.210 58.000 -0.027 0.000 1.160 799 F CB 1.192 40.173 39.000 -0.032 0.000 1.146 799 F HN 0.033 nan 8.300 nan 0.000 0.514 800 V N 7.655 127.285 119.914 -0.473 0.000 2.339 800 V HA 0.070 4.189 4.120 -0.001 0.000 0.261 800 V C 1.051 176.767 176.094 -0.631 0.000 1.058 800 V CA -0.238 61.872 62.300 -0.316 0.000 0.897 800 V CB 0.871 32.564 31.823 -0.217 0.000 1.052 800 V HN 0.897 nan 8.190 nan 0.000 0.480 801 E N 4.076 124.065 120.200 -0.353 0.000 2.274 801 E HA -0.069 4.280 4.350 -0.001 0.000 0.194 801 E C 0.795 177.294 176.600 -0.168 0.000 0.996 801 E CA 0.332 56.587 56.400 -0.242 0.000 0.840 801 E CB 0.327 30.071 29.700 0.075 0.000 0.772 801 E HN 0.700 nan 8.360 nan 0.000 0.491 802 N N 0.726 119.340 118.700 -0.144 0.000 2.515 802 N HA 0.080 4.820 4.740 -0.001 0.000 0.279 802 N C -0.626 174.785 175.510 -0.165 0.000 1.164 802 N CA -0.015 52.976 53.050 -0.098 0.000 0.982 802 N CB 1.739 40.204 38.487 -0.035 0.000 1.170 802 N HN 0.055 nan 8.380 nan 0.000 0.474 803 S N 0.317 115.940 115.700 -0.128 0.000 2.681 803 S HA 0.262 4.732 4.470 -0.001 0.000 0.270 803 S C 1.081 175.613 174.600 -0.114 0.000 1.209 803 S CA -0.510 57.585 58.200 -0.175 0.000 0.988 803 S CB 0.396 63.545 63.200 -0.085 0.000 1.006 803 S HN 0.553 nan 8.310 nan 0.000 0.558 804 Y N -0.349 119.949 120.300 -0.003 0.000 2.373 804 Y HA 0.023 4.573 4.550 -0.001 0.000 0.293 804 Y C 2.162 178.054 175.900 -0.013 0.000 1.129 804 Y CA 0.304 58.405 58.100 0.000 0.000 1.226 804 Y CB -0.135 38.327 38.460 0.004 0.000 1.000 804 Y HN 0.564 nan 8.280 nan 0.000 0.549 805 L N 0.002 121.301 121.223 0.127 0.000 2.217 805 L HA -0.065 4.275 4.340 -0.001 0.000 0.211 805 L C 2.202 179.094 176.870 0.037 0.000 1.107 805 L CA 1.388 56.266 54.840 0.064 0.000 0.783 805 L CB -0.142 41.941 42.059 0.040 0.000 0.919 805 L HN -0.006 nan 8.230 nan 0.000 0.442 806 R N 0.195 120.712 120.500 0.028 0.000 2.100 806 R HA 0.282 4.621 4.340 -0.001 0.000 0.220 806 R C 0.524 176.833 176.300 0.016 0.000 1.091 806 R CA 0.641 56.749 56.100 0.014 0.000 0.986 806 R CB -0.079 30.223 30.300 0.002 0.000 0.888 806 R HN 0.507 nan 8.270 nan 0.000 0.444 807 G N 0.777 109.598 108.800 0.036 0.000 2.697 807 G HA2 -0.130 3.829 3.960 -0.001 0.000 0.686 807 G HA3 -0.130 3.829 3.960 -0.001 0.000 0.686 807 G C -1.368 173.553 174.900 0.035 0.000 1.179 807 G CA -1.041 44.080 45.100 0.035 0.000 0.765 807 G HN -0.028 nan 8.290 nan 0.000 0.649 808 L N 1.355 122.608 121.223 0.051 0.000 2.379 808 L HA 0.742 5.081 4.340 -0.001 0.000 0.269 808 L C 1.610 178.506 176.870 0.044 0.000 1.084 808 L CA -0.066 54.824 54.840 0.082 0.000 0.802 808 L CB 1.368 43.545 42.059 0.197 0.000 1.175 808 L HN 0.987 nan 8.230 nan 0.000 0.448 809 T N -0.009 114.585 114.554 0.066 0.000 2.913 809 T HA 0.320 4.670 4.350 -0.001 0.000 0.287 809 T C -1.912 172.821 174.700 0.054 0.000 1.008 809 T CA -1.543 60.580 62.100 0.038 0.000 1.067 809 T CB 0.782 69.675 68.868 0.042 0.000 0.996 809 T HN 0.391 nan 8.240 nan 0.000 0.513 810 P HA -0.261 nan 4.420 nan 0.000 0.219 810 P C 1.658 178.937 177.300 -0.035 0.000 1.159 810 P CA 1.495 64.591 63.100 -0.007 0.000 0.944 810 P CB -0.006 31.628 31.700 -0.111 0.000 0.792 811 Q N -0.518 119.195 119.800 -0.144 0.000 2.045 811 Q HA -0.210 4.130 4.340 -0.001 0.000 0.206 811 Q C 2.215 178.005 176.000 -0.351 0.000 0.991 811 Q CA 1.856 57.485 55.803 -0.290 0.000 0.851 811 Q CB -0.920 27.795 28.738 -0.039 0.000 0.911 811 Q HN 0.416 nan 8.270 nan 0.000 0.418 812 E N -0.518 119.696 120.200 0.023 0.000 2.097 812 E HA -0.213 4.137 4.350 -0.001 0.000 0.196 812 E C 1.646 178.380 176.600 0.223 0.000 1.000 812 E CA 1.062 57.578 56.400 0.193 0.000 0.804 812 E CB -0.233 29.580 29.700 0.189 0.000 0.740 812 E HN 0.261 nan 8.360 nan 0.000 0.454 813 F N 0.467 120.439 119.950 0.038 0.000 2.095 813 F HA -0.228 4.298 4.527 -0.001 0.000 0.298 813 F C 1.958 177.810 175.800 0.087 0.000 1.104 813 F CA 1.350 59.392 58.000 0.070 0.000 1.232 813 F CB -0.525 38.497 39.000 0.036 0.000 0.987 813 F HN -0.003 nan 8.300 nan 0.000 0.475 814 F N -0.384 119.440 119.950 -0.211 0.000 2.234 814 F HA -0.137 4.390 4.527 -0.001 0.000 0.299 814 F C 2.024 177.753 175.800 -0.118 0.000 1.087 814 F CA 1.438 59.259 58.000 -0.300 0.000 1.340 814 F CB -0.661 38.180 39.000 -0.266 0.000 1.031 814 F HN -0.011 nan 8.300 nan 0.000 0.500 815 F N -1.631 118.399 119.950 0.133 0.000 2.206 815 F HA -0.198 4.328 4.527 -0.001 0.000 0.298 815 F C 2.680 178.467 175.800 -0.021 0.000 1.090 815 F CA 0.818 58.855 58.000 0.061 0.000 1.323 815 F CB -0.599 38.476 39.000 0.125 0.000 1.028 815 F HN 0.043 nan 8.300 nan 0.000 0.492 816 H N 1.023 120.142 119.070 0.083 0.000 2.293 816 H HA -0.119 4.437 4.556 -0.001 0.000 0.300 816 H C 2.251 177.500 175.328 -0.131 0.000 1.082 816 H CA 1.563 57.613 56.048 0.004 0.000 1.308 816 H CB -0.536 29.260 29.762 0.058 0.000 1.375 816 H HN 0.178 nan 8.280 nan 0.000 0.495 817 A N 1.109 123.831 122.820 -0.162 0.000 1.997 817 A HA -0.225 4.095 4.320 -0.001 0.000 0.221 817 A C 2.773 180.185 177.584 -0.288 0.000 1.172 817 A CA 2.018 53.840 52.037 -0.358 0.000 0.645 817 A CB -0.708 17.894 19.000 -0.663 0.000 0.813 817 A HN 0.479 nan 8.150 nan 0.000 0.454 818 M N -1.218 118.219 119.600 -0.271 0.000 2.064 818 M HA -0.075 4.404 4.480 -0.001 0.000 0.260 818 M C 2.352 178.602 176.300 -0.084 0.000 1.073 818 M CA 1.639 56.822 55.300 -0.195 0.000 1.124 818 M CB -0.818 31.717 32.600 -0.108 0.000 1.326 818 M HN 0.481 nan 8.290 nan 0.000 0.410 819 G N -0.475 108.306 108.800 -0.032 0.000 2.598 819 G HA2 0.019 3.979 3.960 -0.001 0.000 0.215 819 G HA3 0.019 3.979 3.960 -0.001 0.000 0.215 819 G C 1.382 176.289 174.900 0.012 0.000 1.131 819 G CA 0.796 45.887 45.100 -0.015 0.000 0.785 819 G HN 0.566 nan 8.290 nan 0.000 0.539 820 G N 1.007 109.829 108.800 0.038 0.000 2.456 820 G HA2 -0.147 3.812 3.960 -0.001 0.000 0.213 820 G HA3 -0.147 3.812 3.960 -0.001 0.000 0.213 820 G C 1.741 176.636 174.900 -0.008 0.000 1.215 820 G CA 0.857 45.987 45.100 0.050 0.000 0.805 820 G HN 0.449 nan 8.290 nan 0.000 0.537 821 R N 0.855 121.326 120.500 -0.049 0.000 2.154 821 R HA -0.129 4.210 4.340 -0.001 0.000 0.248 821 R C 2.212 178.492 176.300 -0.032 0.000 1.155 821 R CA 2.100 58.169 56.100 -0.052 0.000 0.979 821 R CB -0.500 29.752 30.300 -0.080 0.000 0.869 821 R HN 0.531 nan 8.270 nan 0.000 0.452 822 E N -1.138 119.045 120.200 -0.027 0.000 2.153 822 E HA -0.133 4.216 4.350 -0.001 0.000 0.194 822 E C 1.665 178.260 176.600 -0.008 0.000 0.988 822 E CA 1.291 57.681 56.400 -0.017 0.000 0.811 822 E CB -0.280 29.411 29.700 -0.016 0.000 0.746 822 E HN 0.606 nan 8.360 nan 0.000 0.466 823 G N 0.774 109.572 108.800 -0.003 0.000 2.408 823 G HA2 -0.142 3.818 3.960 -0.001 0.000 0.215 823 G HA3 -0.142 3.818 3.960 -0.001 0.000 0.215 823 G C 1.554 176.453 174.900 -0.002 0.000 1.156 823 G CA 0.045 45.146 45.100 0.002 0.000 0.793 823 G HN 0.157 nan 8.290 nan 0.000 0.535 824 L N 0.601 121.820 121.223 -0.007 0.000 2.079 824 L HA -0.109 4.231 4.340 -0.001 0.000 0.210 824 L C 2.813 179.676 176.870 -0.011 0.000 1.081 824 L CA 0.638 55.471 54.840 -0.011 0.000 0.752 824 L CB -0.475 41.573 42.059 -0.018 0.000 0.896 824 L HN 0.143 nan 8.230 nan 0.000 0.433 825 I N 1.101 121.665 120.570 -0.011 0.000 2.099 825 I HA -0.306 3.863 4.170 -0.001 0.000 0.239 825 I C 2.319 178.433 176.117 -0.005 0.000 1.066 825 I CA 2.256 63.550 61.300 -0.009 0.000 1.324 825 I CB -1.262 36.732 38.000 -0.009 0.000 1.037 825 I HN 0.429 nan 8.210 nan 0.000 0.401 826 D N -0.387 120.012 120.400 -0.002 0.000 2.117 826 D HA -0.164 4.476 4.640 -0.001 0.000 0.198 826 D C 1.819 178.120 176.300 0.001 0.000 0.982 826 D CA 1.327 55.328 54.000 0.002 0.000 0.828 826 D CB -0.924 39.879 40.800 0.004 0.000 0.967 826 D HN 0.103 nan 8.370 nan 0.000 0.464 827 T N -0.756 113.798 114.554 -0.001 0.000 2.946 827 T HA -0.105 4.244 4.350 -0.001 0.000 0.270 827 T C 1.627 176.324 174.700 -0.005 0.000 1.129 827 T CA 1.374 63.472 62.100 -0.003 0.000 1.103 827 T CB -0.246 68.620 68.868 -0.005 0.000 0.839 827 T HN 0.461 nan 8.240 nan 0.000 0.544 828 A N -0.983 121.834 122.820 -0.005 0.000 2.358 828 A HA 0.511 4.830 4.320 -0.001 0.000 0.223 828 A C 2.002 179.584 177.584 -0.004 0.000 1.218 828 A CA -0.087 51.946 52.037 -0.006 0.000 0.942 828 A CB 0.434 19.429 19.000 -0.009 0.000 1.005 828 A HN 0.326 nan 8.150 nan 0.000 0.514 829 V N -0.443 119.472 119.914 0.000 0.000 2.735 829 V HA -0.002 4.117 4.120 -0.001 0.000 0.234 829 V C 2.238 178.340 176.094 0.012 0.000 1.121 829 V CA 1.583 63.885 62.300 0.004 0.000 1.160 829 V CB -0.135 31.691 31.823 0.005 0.000 0.908 829 V HN 0.544 nan 8.190 nan 0.000 0.495 830 K N -0.259 120.148 120.400 0.013 0.000 2.077 830 K HA -0.291 4.029 4.320 -0.001 0.000 0.213 830 K C 2.162 178.772 176.600 0.018 0.000 1.051 830 K CA 2.418 58.715 56.287 0.018 0.000 0.929 830 K CB -0.498 32.009 32.500 0.012 0.000 0.715 830 K HN 0.445 nan 8.250 nan 0.000 0.451 831 T N -0.617 113.943 114.554 0.010 0.000 2.737 831 T HA -0.154 4.196 4.350 -0.001 0.000 0.269 831 T C 1.502 176.211 174.700 0.014 0.000 1.040 831 T CA 1.602 63.705 62.100 0.006 0.000 1.142 831 T CB -0.199 68.668 68.868 -0.003 0.000 0.861 831 T HN 0.469 nan 8.240 nan 0.000 0.456 832 A N -0.249 122.582 122.820 0.018 0.000 2.095 832 A HA 0.239 4.559 4.320 -0.001 0.000 0.212 832 A C 2.035 179.656 177.584 0.061 0.000 1.162 832 A CA 0.834 52.887 52.037 0.026 0.000 0.753 832 A CB -0.255 18.748 19.000 0.005 0.000 0.840 832 A HN 0.595 nan 8.150 nan 0.000 0.468 833 E N -0.457 119.782 120.200 0.066 0.000 2.216 833 E HA -0.091 4.258 4.350 -0.001 0.000 0.192 833 E C 1.527 178.200 176.600 0.121 0.000 0.988 833 E CA 1.345 57.812 56.400 0.111 0.000 0.834 833 E CB 0.127 29.876 29.700 0.081 0.000 0.772 833 E HN 0.575 nan 8.360 nan 0.000 0.479 834 T N -0.852 113.745 114.554 0.071 0.000 2.894 834 T HA -0.019 4.330 4.350 -0.001 0.000 0.258 834 T C 1.753 176.482 174.700 0.049 0.000 1.043 834 T CA 0.821 62.947 62.100 0.043 0.000 1.141 834 T CB -0.251 68.625 68.868 0.014 0.000 0.873 834 T HN 0.288 nan 8.240 nan 0.000 0.449 835 G N 0.195 109.032 108.800 0.063 0.000 2.462 835 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.220 835 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.220 835 G C 1.334 176.325 174.900 0.151 0.000 1.121 835 G CA 0.483 45.627 45.100 0.073 0.000 0.758 835 G HN 0.486 nan 8.290 nan 0.000 0.559 836 Y N 0.832 121.143 120.300 0.020 0.000 2.457 836 Y HA 0.112 4.661 4.550 -0.001 0.000 0.292 836 Y C 2.355 178.291 175.900 0.060 0.000 1.125 836 Y CA -0.426 57.700 58.100 0.043 0.000 1.254 836 Y CB 0.072 38.554 38.460 0.037 0.000 1.012 836 Y HN 0.071 nan 8.280 nan 0.000 0.555 837 I N 0.172 120.733 120.570 -0.015 0.000 2.202 837 I HA -0.266 3.903 4.170 -0.001 0.000 0.242 837 I C 2.497 178.561 176.117 -0.088 0.000 1.091 837 I CA 1.285 62.526 61.300 -0.097 0.000 1.368 837 I CB -1.369 36.604 38.000 -0.046 0.000 1.058 837 I HN 0.269 nan 8.210 nan 0.000 0.410 838 Q N 1.046 120.824 119.800 -0.038 0.000 2.061 838 Q HA -0.220 4.119 4.340 -0.001 0.000 0.204 838 Q C 2.428 178.410 176.000 -0.030 0.000 0.984 838 Q CA 1.635 57.414 55.803 -0.041 0.000 0.846 838 Q CB -0.100 28.620 28.738 -0.030 0.000 0.902 838 Q HN 0.408 nan 8.270 nan 0.000 0.421 839 R N -0.265 120.255 120.500 0.033 0.000 2.103 839 R HA -0.147 4.193 4.340 -0.001 0.000 0.242 839 R C 2.507 178.843 176.300 0.059 0.000 1.142 839 R CA 1.738 57.897 56.100 0.098 0.000 0.960 839 R CB -0.111 30.334 30.300 0.240 0.000 0.858 839 R HN 0.225 nan 8.270 nan 0.000 0.439 840 R N 0.222 120.717 120.500 -0.008 0.000 2.066 840 R HA -0.082 4.257 4.340 -0.001 0.000 0.232 840 R C 2.410 178.548 176.300 -0.270 0.000 1.131 840 R CA 1.200 57.254 56.100 -0.078 0.000 0.955 840 R CB -0.387 29.838 30.300 -0.124 0.000 0.851 840 R HN 0.184 nan 8.270 nan 0.000 0.432 841 L N 0.146 121.246 121.223 -0.206 0.000 1.956 841 L HA -0.249 4.091 4.340 -0.001 0.000 0.216 841 L C 2.437 179.149 176.870 -0.263 0.000 1.073 841 L CA 1.442 56.145 54.840 -0.228 0.000 0.762 841 L CB -0.726 41.243 42.059 -0.149 0.000 0.889 841 L HN 0.058 nan 8.230 nan 0.000 0.433 842 V N -0.315 119.493 119.914 -0.177 0.000 2.278 842 V HA -0.324 3.795 4.120 -0.001 0.000 0.251 842 V C 2.458 178.427 176.094 -0.208 0.000 1.062 842 V CA 1.756 63.965 62.300 -0.152 0.000 1.038 842 V CB -0.604 31.172 31.823 -0.078 0.000 0.646 842 V HN 0.391 nan 8.190 nan 0.000 0.447 843 K N -0.408 119.840 120.400 -0.254 0.000 2.504 843 K HA 0.119 4.438 4.320 -0.001 0.000 0.195 843 K C 1.754 178.040 176.600 -0.525 0.000 1.036 843 K CA 1.088 57.215 56.287 -0.268 0.000 0.984 843 K CB -0.108 32.281 32.500 -0.186 0.000 0.788 843 K HN 0.543 nan 8.250 nan 0.000 0.488 844 A N -0.239 122.064 122.820 -0.861 0.000 2.229 844 A HA 0.180 4.500 4.320 -0.001 0.000 0.211 844 A C 1.718 179.001 177.584 -0.501 0.000 1.193 844 A CA -0.034 51.336 52.037 -1.113 0.000 0.879 844 A CB 0.186 18.016 19.000 -1.950 0.000 0.911 844 A HN 0.136 nan 8.150 nan 0.000 0.492 845 L N -1.005 120.009 121.223 -0.348 0.000 2.554 845 L HA 0.102 4.441 4.340 -0.001 0.000 0.225 845 L C 1.947 178.732 176.870 -0.142 0.000 1.104 845 L CA 0.415 55.133 54.840 -0.203 0.000 0.866 845 L CB -0.297 41.665 42.059 -0.161 0.000 1.047 845 L HN 0.484 nan 8.230 nan 0.000 0.468 846 E N 1.756 121.866 120.200 -0.150 0.000 2.164 846 E HA -0.328 4.021 4.350 -0.001 0.000 0.233 846 E C 0.904 177.460 176.600 -0.073 0.000 1.073 846 E CA 2.438 58.779 56.400 -0.098 0.000 0.941 846 E CB -0.020 29.630 29.700 -0.083 0.000 0.820 846 E HN 0.605 nan 8.360 nan 0.000 0.486 847 D N -0.016 120.348 120.400 -0.059 0.000 2.338 847 D HA -0.038 4.602 4.640 -0.001 0.000 0.239 847 D C 0.204 176.480 176.300 -0.040 0.000 1.095 847 D CA 0.107 54.082 54.000 -0.041 0.000 0.888 847 D CB -0.189 40.602 40.800 -0.016 0.000 0.899 847 D HN 0.062 nan 8.370 nan 0.000 0.525 848 I N 2.019 122.558 120.570 -0.052 0.000 2.363 848 I HA 0.234 4.403 4.170 -0.001 0.000 0.292 848 I C 0.539 176.614 176.117 -0.070 0.000 1.075 848 I CA -0.337 60.939 61.300 -0.040 0.000 1.333 848 I CB -0.300 37.682 38.000 -0.030 0.000 1.415 848 I HN 0.130 nan 8.210 nan 0.000 0.502 849 M N 5.617 125.154 119.600 -0.104 0.000 2.421 849 M HA 0.538 5.018 4.480 -0.001 0.000 0.287 849 M C -1.512 174.638 176.300 -0.250 0.000 1.183 849 M CA -0.825 54.356 55.300 -0.199 0.000 0.916 849 M CB 2.083 34.528 32.600 -0.258 0.000 1.701 849 M HN -0.055 nan 8.290 nan 0.000 0.470 850 V N 4.556 124.324 119.914 -0.243 0.000 2.479 850 V HA 0.175 4.294 4.120 -0.001 0.000 0.281 850 V C 0.462 176.401 176.094 -0.258 0.000 1.031 850 V CA 0.194 62.386 62.300 -0.180 0.000 1.038 850 V CB -0.367 31.320 31.823 -0.226 0.000 0.981 850 V HN 0.795 nan 8.190 nan 0.000 0.478 851 H N 3.656 122.674 119.070 -0.086 0.000 2.497 851 H HA 0.207 4.763 4.556 -0.001 0.000 0.348 851 H C -0.336 174.944 175.328 -0.080 0.000 1.335 851 H CA -0.451 55.553 56.048 -0.073 0.000 1.395 851 H CB 0.727 30.508 29.762 0.031 0.000 1.658 851 H HN 0.549 nan 8.280 nan 0.000 0.613 852 Y N 1.534 121.941 120.300 0.179 0.000 3.213 852 Y HA -0.041 4.509 4.550 -0.001 0.000 0.383 852 Y C 0.272 176.224 175.900 0.086 0.000 1.006 852 Y CA 0.170 58.332 58.100 0.104 0.000 1.932 852 Y CB -0.480 38.034 38.460 0.089 0.000 2.090 852 Y HN 0.496 nan 8.280 nan 0.000 0.427 853 D N -2.986 117.523 120.400 0.180 0.000 3.091 853 D HA -0.021 4.619 4.640 -0.001 0.000 0.306 853 D C 0.106 176.472 176.300 0.111 0.000 1.660 853 D CA -0.241 53.839 54.000 0.133 0.000 0.795 853 D CB -1.188 39.684 40.800 0.119 0.000 1.331 853 D HN 0.145 nan 8.370 nan 0.000 0.490 854 N N -0.072 118.681 118.700 0.089 0.000 2.656 854 N HA -0.215 4.525 4.740 -0.001 0.000 0.244 854 N C 0.225 175.801 175.510 0.109 0.000 1.151 854 N CA 1.725 54.823 53.050 0.080 0.000 0.865 854 N CB -1.407 37.130 38.487 0.082 0.000 1.177 854 N HN 0.487 nan 8.380 nan 0.000 0.586 855 T N 0.706 115.328 114.554 0.113 0.000 2.908 855 T HA 0.084 4.434 4.350 -0.001 0.000 0.325 855 T C 0.394 175.154 174.700 0.101 0.000 1.092 855 T CA 0.736 62.891 62.100 0.092 0.000 1.125 855 T CB 0.345 69.254 68.868 0.069 0.000 1.016 855 T HN 0.169 nan 8.240 nan 0.000 0.550 856 T N 6.225 120.810 114.554 0.052 0.000 3.226 856 T HA 0.381 4.730 4.350 -0.001 0.000 0.378 856 T C 0.116 174.839 174.700 0.039 0.000 1.380 856 T CA -0.662 61.482 62.100 0.073 0.000 1.396 856 T CB 0.328 69.255 68.868 0.099 0.000 1.044 856 T HN 0.486 nan 8.240 nan 0.000 0.586 857 R N 1.840 122.414 120.500 0.123 0.000 2.719 857 R HA 0.604 4.944 4.340 -0.001 0.000 0.233 857 R C 0.696 177.056 176.300 0.099 0.000 1.257 857 R CA -1.035 55.110 56.100 0.075 0.000 1.109 857 R CB 0.908 31.226 30.300 0.030 0.000 1.447 857 R HN 0.588 nan 8.270 nan 0.000 0.537 858 N N -1.448 117.291 118.700 0.064 0.000 3.124 858 N HA 0.108 4.847 4.740 -0.001 0.000 0.350 858 N C 0.640 176.194 175.510 0.074 0.000 1.411 858 N CA -0.459 52.622 53.050 0.051 0.000 0.729 858 N CB 0.560 39.054 38.487 0.012 0.000 1.379 858 N HN 0.437 nan 8.380 nan 0.000 0.599 859 S N 0.375 116.101 115.700 0.043 0.000 2.359 859 S HA -0.142 4.327 4.470 -0.001 0.000 0.224 859 S C 2.063 176.682 174.600 0.031 0.000 1.035 859 S CA 1.019 59.244 58.200 0.042 0.000 1.018 859 S CB -0.974 62.242 63.200 0.027 0.000 0.876 859 S HN 0.467 nan 8.310 nan 0.000 0.448 860 L N 1.239 122.473 121.223 0.018 0.000 2.141 860 L HA 0.155 4.494 4.340 -0.001 0.000 0.209 860 L C 2.073 178.938 176.870 -0.008 0.000 1.094 860 L CA 0.858 55.703 54.840 0.007 0.000 0.763 860 L CB -0.880 41.182 42.059 0.005 0.000 0.908 860 L HN 0.664 nan 8.230 nan 0.000 0.437 861 G N -0.745 108.044 108.800 -0.019 0.000 2.134 861 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.209 861 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.209 861 G C -0.223 174.643 174.900 -0.056 0.000 0.993 861 G CA -0.387 44.675 45.100 -0.062 0.000 0.669 861 G HN 0.296 nan 8.290 nan 0.000 0.519 862 N N 0.356 119.034 118.700 -0.038 0.000 2.470 862 N HA 0.436 5.175 4.740 -0.001 0.000 0.268 862 N C 0.560 176.019 175.510 -0.084 0.000 1.136 862 N CA -0.115 52.906 53.050 -0.048 0.000 0.961 862 N CB 1.627 40.097 38.487 -0.028 0.000 1.067 862 N HN 0.170 nan 8.380 nan 0.000 0.468 863 V N 3.784 123.611 119.914 -0.145 0.000 2.614 863 V HA 0.111 4.230 4.120 -0.001 0.000 0.291 863 V C 1.305 177.245 176.094 -0.256 0.000 1.049 863 V CA -0.025 62.111 62.300 -0.273 0.000 1.038 863 V CB 0.691 32.191 31.823 -0.538 0.000 0.980 863 V HN 0.571 nan 8.190 nan 0.000 0.481 864 I N 2.171 122.608 120.570 -0.222 0.000 3.443 864 I HA 0.233 4.402 4.170 -0.001 0.000 0.277 864 I C 0.697 176.716 176.117 -0.164 0.000 1.169 864 I CA 0.695 61.907 61.300 -0.147 0.000 1.419 864 I CB 0.055 38.010 38.000 -0.074 0.000 1.331 864 I HN 0.597 nan 8.210 nan 0.000 0.458 865 Q N -0.367 119.334 119.800 -0.165 0.000 2.372 865 Q HA 0.389 4.728 4.340 -0.001 0.000 0.273 865 Q C -0.278 175.637 176.000 -0.142 0.000 1.078 865 Q CA -0.503 55.239 55.803 -0.102 0.000 0.806 865 Q CB 2.824 31.561 28.738 -0.002 0.000 1.332 865 Q HN 0.012 nan 8.270 nan 0.000 0.435 866 F N 0.660 120.632 119.950 0.037 0.000 2.512 866 F HA 0.185 4.712 4.527 -0.001 0.000 0.296 866 F C 0.619 176.450 175.800 0.051 0.000 1.110 866 F CA 0.603 58.627 58.000 0.040 0.000 1.446 866 F CB 0.600 39.616 39.000 0.026 0.000 1.092 866 F HN 0.319 nan 8.300 nan 0.000 0.554 867 I N -1.864 118.837 120.570 0.219 0.000 2.686 867 I HA 0.173 4.342 4.170 -0.001 0.000 0.295 867 I C -1.048 175.157 176.117 0.148 0.000 1.114 867 I CA -1.397 59.999 61.300 0.160 0.000 1.038 867 I CB 1.798 39.872 38.000 0.123 0.000 1.238 867 I HN -0.247 nan 8.210 nan 0.000 0.420 868 Y N 4.090 124.407 120.300 0.028 0.000 2.377 868 Y HA 0.442 4.992 4.550 -0.001 0.000 0.330 868 Y C 1.249 177.157 175.900 0.013 0.000 1.108 868 Y CA 0.776 58.881 58.100 0.008 0.000 1.308 868 Y CB 1.010 39.462 38.460 -0.013 0.000 1.216 868 Y HN 0.845 nan 8.280 nan 0.000 0.518 869 G N 3.908 112.275 108.800 -0.721 0.000 2.166 869 G HA2 -0.377 3.583 3.960 -0.001 0.000 0.260 869 G HA3 -0.377 3.583 3.960 -0.001 0.000 0.260 869 G C 0.402 175.228 174.900 -0.124 0.000 0.986 869 G CA 0.586 45.375 45.100 -0.518 0.000 0.683 869 G HN 0.965 nan 8.290 nan 0.000 0.527 870 E N -1.348 118.816 120.200 -0.060 0.000 3.547 870 E HA -0.293 4.056 4.350 -0.001 0.000 0.300 870 E C 0.957 177.561 176.600 0.007 0.000 0.857 870 E CA 1.402 57.809 56.400 0.010 0.000 1.039 870 E CB -0.853 28.864 29.700 0.028 0.000 1.524 870 E HN 0.895 nan 8.360 nan 0.000 0.457 871 D N -1.786 118.612 120.400 -0.003 0.000 2.497 871 D HA 0.101 4.741 4.640 -0.001 0.000 0.256 871 D C 1.297 177.614 176.300 0.029 0.000 1.273 871 D CA 0.817 54.825 54.000 0.013 0.000 0.812 871 D CB 0.103 40.898 40.800 -0.009 0.000 1.190 871 D HN 0.269 nan 8.370 nan 0.000 0.524 872 G N 1.101 109.936 108.800 0.059 0.000 2.347 872 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.247 872 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.247 872 G C 0.222 175.158 174.900 0.060 0.000 1.037 872 G CA 0.789 45.940 45.100 0.086 0.000 0.622 872 G HN 0.330 nan 8.290 nan 0.000 0.521 873 M N 1.470 121.065 119.600 -0.008 0.000 2.242 873 M HA 0.518 4.997 4.480 -0.001 0.000 0.344 873 M C 0.276 176.618 176.300 0.070 0.000 1.140 873 M CA -0.715 54.536 55.300 -0.081 0.000 1.160 873 M CB 0.922 33.404 32.600 -0.198 0.000 1.491 873 M HN 0.265 nan 8.290 nan 0.000 0.459 874 D N 1.293 121.709 120.400 0.025 0.000 2.390 874 D HA 0.348 4.988 4.640 -0.001 0.000 0.249 874 D C 0.655 177.042 176.300 0.145 0.000 1.144 874 D CA 0.216 54.294 54.000 0.129 0.000 0.880 874 D CB 1.033 41.915 40.800 0.137 0.000 1.182 874 D HN 0.676 nan 8.370 nan 0.000 0.451 875 A N 3.524 126.431 122.820 0.144 0.000 2.178 875 A HA 0.006 4.325 4.320 -0.001 0.000 0.218 875 A C 1.928 179.542 177.584 0.050 0.000 1.157 875 A CA 1.614 53.700 52.037 0.081 0.000 0.689 875 A CB -0.543 18.488 19.000 0.052 0.000 0.787 875 A HN 0.629 nan 8.150 nan 0.000 0.465 876 A N -1.558 121.257 122.820 -0.009 0.000 2.021 876 A HA -0.005 4.314 4.320 -0.001 0.000 0.216 876 A C 1.952 179.407 177.584 -0.216 0.000 1.163 876 A CA 1.006 52.944 52.037 -0.165 0.000 0.676 876 A CB -0.576 18.234 19.000 -0.317 0.000 0.818 876 A HN 0.646 nan 8.150 nan 0.000 0.453 877 H N -0.608 118.465 119.070 0.005 0.000 2.415 877 H HA 0.190 4.746 4.556 -0.001 0.000 0.297 877 H C 0.494 175.839 175.328 0.029 0.000 1.048 877 H CA 0.293 56.339 56.048 -0.004 0.000 1.365 877 H CB -0.082 29.635 29.762 -0.074 0.000 1.421 877 H HN 0.328 nan 8.280 nan 0.000 0.533 878 I N 3.226 123.866 120.570 0.118 0.000 2.775 878 I HA -0.120 4.049 4.170 -0.001 0.000 0.290 878 I C 0.226 176.424 176.117 0.136 0.000 1.203 878 I CA 0.898 62.257 61.300 0.097 0.000 1.433 878 I CB 0.336 38.385 38.000 0.082 0.000 1.354 878 I HN 0.379 nan 8.210 nan 0.000 0.579 879 E N 5.612 125.877 120.200 0.109 0.000 2.390 879 E HA 0.336 4.686 4.350 -0.001 0.000 0.277 879 E C -1.162 175.473 176.600 0.057 0.000 0.939 879 E CA -1.248 55.190 56.400 0.064 0.000 0.769 879 E CB 1.322 30.977 29.700 -0.075 0.000 1.251 879 E HN 0.319 nan 8.360 nan 0.000 0.450 880 K N 2.053 122.469 120.400 0.026 0.000 2.395 880 K HA -0.019 4.300 4.320 -0.001 0.000 0.283 880 K C -0.955 175.647 176.600 0.003 0.000 1.068 880 K CA 0.463 56.759 56.287 0.016 0.000 1.039 880 K CB 0.166 32.642 32.500 -0.040 0.000 0.924 880 K HN 0.587 nan 8.250 nan 0.000 0.468 881 Q N 2.094 121.920 119.800 0.043 0.000 2.284 881 Q HA 0.239 4.579 4.340 -0.001 0.000 0.269 881 Q C -0.887 175.147 176.000 0.057 0.000 1.026 881 Q CA -1.016 54.813 55.803 0.044 0.000 0.831 881 Q CB 1.502 30.281 28.738 0.068 0.000 1.322 881 Q HN 0.540 nan 8.270 nan 0.000 0.419 882 S N 2.694 118.414 115.700 0.033 0.000 2.579 882 S HA 0.333 4.803 4.470 -0.001 0.000 0.275 882 S C -0.039 174.606 174.600 0.074 0.000 1.345 882 S CA -0.504 57.714 58.200 0.030 0.000 1.031 882 S CB 0.220 63.431 63.200 0.018 0.000 0.892 882 S HN 0.609 nan 8.310 nan 0.000 0.529 883 L N 2.476 123.749 121.223 0.083 0.000 2.371 883 L HA 0.332 4.671 4.340 -0.001 0.000 0.262 883 L C -0.317 176.627 176.870 0.123 0.000 1.054 883 L CA -0.704 54.202 54.840 0.110 0.000 0.924 883 L CB 0.454 42.585 42.059 0.121 0.000 1.295 883 L HN 0.735 nan 8.230 nan 0.000 0.441 884 D N -1.383 119.107 120.400 0.150 0.000 2.348 884 D HA -0.075 4.565 4.640 -0.001 0.000 0.248 884 D C 1.285 177.729 176.300 0.239 0.000 1.142 884 D CA 0.130 54.244 54.000 0.190 0.000 0.904 884 D CB -0.067 40.853 40.800 0.200 0.000 0.901 884 D HN 0.315 nan 8.370 nan 0.000 0.523 885 T N -0.332 114.327 114.554 0.175 0.000 3.043 885 T HA 0.108 4.458 4.350 -0.001 0.000 0.263 885 T C 1.817 176.590 174.700 0.121 0.000 1.094 885 T CA 0.296 62.477 62.100 0.135 0.000 1.127 885 T CB 0.090 68.994 68.868 0.060 0.000 0.905 885 T HN 0.264 nan 8.240 nan 0.000 0.490 886 I N 0.780 121.432 120.570 0.136 0.000 2.296 886 I HA 0.157 4.327 4.170 -0.001 0.000 0.242 886 I C 1.823 178.058 176.117 0.197 0.000 1.087 886 I CA 0.241 61.631 61.300 0.151 0.000 1.393 886 I CB -0.597 37.510 38.000 0.178 0.000 1.093 886 I HN 0.189 nan 8.210 nan 0.000 0.421 887 G N 0.240 109.159 108.800 0.197 0.000 2.599 887 G HA2 0.471 4.430 3.960 -0.001 0.000 0.264 887 G HA3 0.471 4.430 3.960 -0.001 0.000 0.264 887 G C -0.026 174.978 174.900 0.172 0.000 1.200 887 G CA 0.432 45.669 45.100 0.228 0.000 0.896 887 G HN 0.595 nan 8.290 nan 0.000 0.536 888 G N -1.052 107.836 108.800 0.147 0.000 2.663 888 G HA2 0.168 4.127 3.960 -0.001 0.000 0.686 888 G HA3 0.168 4.127 3.960 -0.001 0.000 0.686 888 G C 0.011 174.956 174.900 0.074 0.000 1.246 888 G CA -0.189 44.980 45.100 0.115 0.000 0.795 888 G HN 1.231 nan 8.290 nan 0.000 0.627 889 S N 0.473 116.218 115.700 0.074 0.000 2.568 889 S HA 0.189 4.658 4.470 -0.001 0.000 0.282 889 S C 1.428 176.076 174.600 0.081 0.000 1.338 889 S CA 0.177 58.407 58.200 0.050 0.000 1.045 889 S CB 0.987 64.221 63.200 0.056 0.000 0.873 889 S HN 0.583 nan 8.310 nan 0.000 0.516 890 D N 2.161 122.577 120.400 0.028 0.000 2.158 890 D HA -0.170 4.470 4.640 -0.001 0.000 0.197 890 D C 1.929 178.324 176.300 0.159 0.000 0.995 890 D CA 1.545 55.574 54.000 0.048 0.000 0.846 890 D CB -0.084 40.713 40.800 -0.005 0.000 0.941 890 D HN 0.628 nan 8.370 nan 0.000 0.456 891 A N 0.734 123.625 122.820 0.118 0.000 2.016 891 A HA 0.143 4.462 4.320 -0.001 0.000 0.217 891 A C 2.221 179.896 177.584 0.152 0.000 1.162 891 A CA 1.372 53.485 52.037 0.127 0.000 0.662 891 A CB -0.144 18.904 19.000 0.081 0.000 0.812 891 A HN 0.222 nan 8.150 nan 0.000 0.450 892 A N -1.656 121.258 122.820 0.156 0.000 2.072 892 A HA 0.173 4.492 4.320 -0.001 0.000 0.216 892 A C 1.822 179.544 177.584 0.229 0.000 1.156 892 A CA 1.018 53.147 52.037 0.154 0.000 0.701 892 A CB -0.551 18.522 19.000 0.122 0.000 0.816 892 A HN 0.610 nan 8.150 nan 0.000 0.458 893 F N 0.543 120.564 119.950 0.119 0.000 2.234 893 F HA 0.025 4.552 4.527 -0.001 0.000 0.296 893 F C 2.007 177.957 175.800 0.250 0.000 1.089 893 F CA 1.683 59.786 58.000 0.172 0.000 1.343 893 F CB 0.000 39.042 39.000 0.069 0.000 1.040 893 F HN 0.358 nan 8.300 nan 0.000 0.498 894 E N 0.605 120.999 120.200 0.324 0.000 2.015 894 E HA -0.192 4.158 4.350 -0.001 0.000 0.191 894 E C 1.600 178.282 176.600 0.136 0.000 0.991 894 E CA 1.054 57.596 56.400 0.238 0.000 0.802 894 E CB -0.147 29.674 29.700 0.203 0.000 0.759 894 E HN 0.265 nan 8.360 nan 0.000 0.447 895 K N 0.097 120.575 120.400 0.129 0.000 2.687 895 K HA -0.076 4.243 4.320 -0.001 0.000 0.197 895 K C 1.521 178.140 176.600 0.031 0.000 1.018 895 K CA 0.207 56.549 56.287 0.092 0.000 1.035 895 K CB 0.179 32.727 32.500 0.079 0.000 0.834 895 K HN 0.005 nan 8.250 nan 0.000 0.496 896 R N -1.420 119.087 120.500 0.011 0.000 2.729 896 R HA 0.059 4.398 4.340 -0.001 0.000 0.215 896 R C 0.472 176.606 176.300 -0.278 0.000 0.970 896 R CA 0.450 56.485 56.100 -0.108 0.000 1.196 896 R CB 0.534 30.806 30.300 -0.048 0.000 1.670 896 R HN 0.134 nan 8.270 nan 0.000 0.575 897 Y N 0.050 120.243 120.300 -0.179 0.000 2.526 897 Y HA 0.330 4.879 4.550 -0.001 0.000 0.265 897 Y C 0.570 176.471 175.900 0.001 0.000 1.092 897 Y CA -0.231 57.770 58.100 -0.165 0.000 1.277 897 Y CB 0.450 38.657 38.460 -0.421 0.000 1.228 897 Y HN -0.208 nan 8.280 nan 0.000 0.507 898 R N 1.572 122.181 120.500 0.182 0.000 2.401 898 R HA 0.358 4.697 4.340 -0.001 0.000 0.299 898 R C -1.466 174.811 176.300 -0.039 0.000 1.064 898 R CA 0.137 56.233 56.100 -0.006 0.000 1.000 898 R CB 0.178 30.348 30.300 -0.216 0.000 0.973 898 R HN -0.088 nan 8.270 nan 0.000 0.438 899 V N 5.360 125.237 119.914 -0.062 0.000 2.376 899 V HA 0.239 4.358 4.120 -0.001 0.000 0.287 899 V C -0.858 175.188 176.094 -0.079 0.000 1.015 899 V CA -0.750 61.524 62.300 -0.044 0.000 0.834 899 V CB 1.494 33.304 31.823 -0.022 0.000 1.001 899 V HN 0.751 nan 8.190 nan 0.000 0.428 900 D N 4.085 124.448 120.400 -0.061 0.000 2.381 900 D HA 0.405 5.044 4.640 -0.001 0.000 0.235 900 D C 0.676 176.963 176.300 -0.021 0.000 1.068 900 D CA -0.283 53.676 54.000 -0.068 0.000 0.832 900 D CB 1.852 42.591 40.800 -0.101 0.000 1.101 900 D HN 0.356 nan 8.370 nan 0.000 0.515 901 L N 2.795 124.001 121.223 -0.028 0.000 2.270 901 L HA 0.055 4.395 4.340 -0.001 0.000 0.210 901 L C 1.267 178.129 176.870 -0.013 0.000 1.104 901 L CA 0.592 55.421 54.840 -0.018 0.000 0.804 901 L CB -0.026 42.021 42.059 -0.021 0.000 0.937 901 L HN 0.395 nan 8.230 nan 0.000 0.450 902 L N 0.037 121.249 121.223 -0.018 0.000 2.968 902 L HA 0.268 4.607 4.340 -0.001 0.000 0.235 902 L C -0.005 176.861 176.870 -0.007 0.000 1.323 902 L CA 0.056 54.887 54.840 -0.015 0.000 1.159 902 L CB -0.647 41.400 42.059 -0.021 0.000 1.523 902 L HN 0.128 nan 8.230 nan 0.000 0.468 903 N N -0.557 118.149 118.700 0.009 0.000 2.616 903 N HA 0.085 4.824 4.740 -0.001 0.000 0.281 903 N C 0.506 176.037 175.510 0.035 0.000 1.145 903 N CA -0.070 53.001 53.050 0.034 0.000 0.919 903 N CB 1.646 40.173 38.487 0.067 0.000 1.509 903 N HN -0.029 nan 8.380 nan 0.000 0.537 904 T N 0.988 115.551 114.554 0.015 0.000 2.881 904 T HA -0.093 4.256 4.350 -0.001 0.000 0.270 904 T C 0.674 175.361 174.700 -0.023 0.000 1.068 904 T CA 1.269 63.366 62.100 -0.005 0.000 1.131 904 T CB 0.119 68.981 68.868 -0.010 0.000 0.871 904 T HN 0.444 nan 8.240 nan 0.000 0.479 905 D N 0.238 120.623 120.400 -0.025 0.000 2.234 905 D HA -0.017 4.622 4.640 -0.001 0.000 0.205 905 D C 1.422 177.579 176.300 -0.239 0.000 0.962 905 D CA 0.851 54.779 54.000 -0.120 0.000 0.855 905 D CB -0.072 40.654 40.800 -0.122 0.000 0.951 905 D HN 0.478 nan 8.370 nan 0.000 0.500 906 H N -0.433 118.615 119.070 -0.037 0.000 2.528 906 H HA 0.253 4.809 4.556 -0.001 0.000 0.282 906 H C 0.103 175.400 175.328 -0.050 0.000 1.097 906 H CA 0.096 56.116 56.048 -0.046 0.000 1.121 906 H CB 0.434 30.163 29.762 -0.055 0.000 1.590 906 H HN -0.008 nan 8.280 nan 0.000 0.553 907 T N 0.798 115.370 114.554 0.029 0.000 2.824 907 T HA 0.296 4.645 4.350 -0.001 0.000 0.277 907 T C 0.815 175.505 174.700 -0.018 0.000 0.975 907 T CA -0.690 61.412 62.100 0.003 0.000 0.966 907 T CB 1.537 70.401 68.868 -0.007 0.000 1.054 907 T HN 0.087 nan 8.240 nan 0.000 0.533 908 L N 2.085 123.293 121.223 -0.024 0.000 2.312 908 L HA 0.230 4.569 4.340 -0.001 0.000 0.287 908 L C 0.467 177.317 176.870 -0.033 0.000 1.091 908 L CA -0.565 54.255 54.840 -0.033 0.000 0.846 908 L CB -0.124 41.913 42.059 -0.037 0.000 1.219 908 L HN 0.656 nan 8.230 nan 0.000 0.439 909 D N 5.253 125.632 120.400 -0.036 0.000 2.795 909 D HA -0.105 4.535 4.640 -0.001 0.000 0.221 909 D C -1.528 174.756 176.300 -0.027 0.000 1.108 909 D CA -0.330 53.651 54.000 -0.032 0.000 0.832 909 D CB 0.938 41.718 40.800 -0.033 0.000 1.183 909 D HN 0.279 nan 8.370 nan 0.000 0.503 910 P HA -0.066 nan 4.420 nan 0.000 0.239 910 P C 0.859 178.148 177.300 -0.018 0.000 1.184 910 P CA 0.531 63.618 63.100 -0.021 0.000 0.760 910 P CB 0.065 31.754 31.700 -0.018 0.000 0.884 911 S N -0.864 114.825 115.700 -0.017 0.000 2.406 911 S HA -0.064 4.405 4.470 -0.001 0.000 0.228 911 S C 1.768 176.360 174.600 -0.013 0.000 1.020 911 S CA 0.774 58.967 58.200 -0.013 0.000 0.965 911 S CB -1.324 61.870 63.200 -0.010 0.000 0.798 911 S HN 0.094 nan 8.310 nan 0.000 0.488 912 L N 0.152 121.363 121.223 -0.020 0.000 2.068 912 L HA 0.290 4.630 4.340 -0.001 0.000 0.204 912 L C 1.291 178.144 176.870 -0.028 0.000 1.076 912 L CA 0.505 55.331 54.840 -0.023 0.000 0.753 912 L CB -0.463 41.577 42.059 -0.033 0.000 0.910 912 L HN 0.322 nan 8.230 nan 0.000 0.439 913 L N 0.675 121.879 121.223 -0.032 0.000 2.322 913 L HA 0.140 4.479 4.340 -0.001 0.000 0.279 913 L C 1.115 177.968 176.870 -0.028 0.000 1.036 913 L CA 0.334 55.152 54.840 -0.036 0.000 0.807 913 L CB 1.842 43.876 42.059 -0.042 0.000 1.226 913 L HN 0.149 nan 8.230 nan 0.000 0.433 914 E N 1.429 121.612 120.200 -0.028 0.000 2.023 914 E HA -0.171 4.179 4.350 -0.001 0.000 0.196 914 E C 0.864 177.452 176.600 -0.021 0.000 1.003 914 E CA 1.572 57.959 56.400 -0.021 0.000 0.809 914 E CB 0.185 29.873 29.700 -0.020 0.000 0.755 914 E HN 0.667 nan 8.360 nan 0.000 0.449 915 S N -0.483 115.202 115.700 -0.024 0.000 4.120 915 S HA 0.269 4.738 4.470 -0.001 0.000 0.196 915 S C 0.797 175.382 174.600 -0.024 0.000 1.447 915 S CA -0.228 57.959 58.200 -0.022 0.000 0.939 915 S CB 0.781 63.967 63.200 -0.023 0.000 1.496 915 S HN 0.331 nan 8.310 nan 0.000 0.460 916 G N 2.208 110.995 108.800 -0.023 0.000 2.447 916 G HA2 -0.076 3.884 3.960 -0.001 0.000 0.211 916 G HA3 -0.076 3.884 3.960 -0.001 0.000 0.211 916 G C 1.587 176.475 174.900 -0.020 0.000 1.184 916 G CA 0.476 45.562 45.100 -0.023 0.000 0.813 916 G HN 0.765 nan 8.290 nan 0.000 0.540 917 S N 1.559 117.248 115.700 -0.017 0.000 2.399 917 S HA -0.130 4.339 4.470 -0.001 0.000 0.231 917 S C 1.857 176.448 174.600 -0.015 0.000 1.022 917 S CA 1.619 59.810 58.200 -0.015 0.000 0.983 917 S CB -0.325 62.867 63.200 -0.013 0.000 0.803 917 S HN 0.735 nan 8.310 nan 0.000 0.480 918 E N 0.346 120.537 120.200 -0.015 0.000 2.437 918 E HA 0.191 4.540 4.350 -0.001 0.000 0.189 918 E C 1.109 177.700 176.600 -0.015 0.000 1.054 918 E CA -0.069 56.323 56.400 -0.014 0.000 0.874 918 E CB -0.020 29.673 29.700 -0.013 0.000 1.011 918 E HN 0.422 nan 8.360 nan 0.000 0.474 919 I N 0.509 121.069 120.570 -0.017 0.000 3.300 919 I HA 0.099 4.268 4.170 -0.001 0.000 0.279 919 I C 1.174 177.281 176.117 -0.017 0.000 1.172 919 I CA -0.293 60.995 61.300 -0.019 0.000 1.431 919 I CB -0.500 37.486 38.000 -0.023 0.000 1.240 919 I HN 0.251 nan 8.210 nan 0.000 0.453 920 L N 2.424 123.637 121.223 -0.017 0.000 2.737 920 L HA 0.115 4.455 4.340 -0.001 0.000 0.279 920 L C 1.031 177.893 176.870 -0.013 0.000 1.200 920 L CA 1.212 56.043 54.840 -0.015 0.000 0.952 920 L CB -0.544 41.506 42.059 -0.014 0.000 1.240 920 L HN 0.598 nan 8.230 nan 0.000 0.486 921 G N 3.172 111.964 108.800 -0.013 0.000 2.846 921 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.225 921 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.225 921 G C -0.240 174.652 174.900 -0.014 0.000 1.285 921 G CA -0.100 44.993 45.100 -0.012 0.000 1.055 921 G HN 0.928 nan 8.290 nan 0.000 0.579 922 D N -1.693 118.699 120.400 -0.013 0.000 9.143 922 D HA -0.120 4.519 4.640 -0.001 0.000 0.348 922 D C 0.876 177.169 176.300 -0.013 0.000 2.867 922 D CA 1.461 55.453 54.000 -0.013 0.000 2.085 922 D CB -0.899 39.893 40.800 -0.014 0.000 1.165 922 D HN 0.926 nan 8.370 nan 0.000 1.153 923 L N -0.034 121.182 121.223 -0.012 0.000 2.195 923 L HA 0.109 4.449 4.340 -0.001 0.000 0.222 923 L C 2.169 179.033 176.870 -0.010 0.000 1.132 923 L CA -0.287 54.547 54.840 -0.011 0.000 1.159 923 L CB -0.146 41.907 42.059 -0.010 0.000 2.382 923 L HN 0.241 nan 8.230 nan 0.000 0.523 924 K N 0.667 121.062 120.400 -0.009 0.000 2.217 924 K HA 0.013 4.332 4.320 -0.001 0.000 0.202 924 K C 1.903 178.498 176.600 -0.008 0.000 1.051 924 K CA 1.027 57.310 56.287 -0.008 0.000 0.952 924 K CB 0.230 32.725 32.500 -0.007 0.000 0.736 924 K HN 0.213 nan 8.250 nan 0.000 0.453 925 L N 0.573 121.790 121.223 -0.011 0.000 2.049 925 L HA -0.126 4.214 4.340 -0.001 0.000 0.203 925 L C 2.286 179.149 176.870 -0.011 0.000 1.074 925 L CA 0.896 55.729 54.840 -0.012 0.000 0.749 925 L CB -0.445 41.604 42.059 -0.016 0.000 0.907 925 L HN 0.200 nan 8.230 nan 0.000 0.439 926 Q N 0.132 119.924 119.800 -0.014 0.000 2.522 926 Q HA -0.146 4.193 4.340 -0.001 0.000 0.216 926 Q C 2.022 178.016 176.000 -0.010 0.000 0.986 926 Q CA 0.968 56.761 55.803 -0.016 0.000 0.901 926 Q CB -0.228 28.497 28.738 -0.022 0.000 0.954 926 Q HN 0.445 nan 8.270 nan 0.000 0.502 927 V N -0.453 119.458 119.914 -0.006 0.000 2.407 927 V HA -0.179 3.941 4.120 -0.001 0.000 0.245 927 V C 2.216 178.314 176.094 0.007 0.000 1.041 927 V CA 0.969 63.269 62.300 0.000 0.000 1.040 927 V CB -0.436 31.386 31.823 -0.001 0.000 0.671 927 V HN 0.257 nan 8.190 nan 0.000 0.455 928 L N -0.374 120.852 121.223 0.005 0.000 2.376 928 L HA -0.004 4.335 4.340 -0.001 0.000 0.219 928 L C 2.141 179.024 176.870 0.021 0.000 1.133 928 L CA 0.715 55.561 54.840 0.011 0.000 0.816 928 L CB -0.134 41.928 42.059 0.004 0.000 0.933 928 L HN 0.312 nan 8.230 nan 0.000 0.449 929 L N -1.042 120.192 121.223 0.017 0.000 2.446 929 L HA -0.025 4.314 4.340 -0.001 0.000 0.219 929 L C 1.310 178.212 176.870 0.054 0.000 1.116 929 L CA 0.959 55.817 54.840 0.030 0.000 0.844 929 L CB -0.528 41.532 42.059 0.002 0.000 0.970 929 L HN 0.229 nan 8.230 nan 0.000 0.457 930 D N -0.393 120.030 120.400 0.037 0.000 2.349 930 D HA -0.087 4.553 4.640 -0.001 0.000 0.215 930 D C 1.881 178.226 176.300 0.075 0.000 1.016 930 D CA 0.441 54.475 54.000 0.057 0.000 0.870 930 D CB 0.657 41.470 40.800 0.021 0.000 0.917 930 D HN 0.191 nan 8.370 nan 0.000 0.524 931 E N 0.920 121.153 120.200 0.056 0.000 2.102 931 E HA -0.043 4.306 4.350 -0.001 0.000 0.190 931 E C 1.799 178.432 176.600 0.055 0.000 0.971 931 E CA 0.602 57.029 56.400 0.044 0.000 0.821 931 E CB 0.221 29.936 29.700 0.025 0.000 0.777 931 E HN 0.179 nan 8.360 nan 0.000 0.460 932 E N -0.883 119.360 120.200 0.071 0.000 2.028 932 E HA -0.200 4.149 4.350 -0.001 0.000 0.191 932 E C 1.831 178.496 176.600 0.109 0.000 0.988 932 E CA 0.941 57.388 56.400 0.078 0.000 0.799 932 E CB -0.262 29.489 29.700 0.085 0.000 0.755 932 E HN 0.348 nan 8.360 nan 0.000 0.447 933 Y N 1.481 121.792 120.300 0.020 0.000 2.333 933 Y HA -0.166 4.384 4.550 -0.001 0.000 0.290 933 Y C 2.250 178.174 175.900 0.041 0.000 1.144 933 Y CA 1.770 59.887 58.100 0.029 0.000 1.228 933 Y CB 0.081 38.555 38.460 0.024 0.000 0.985 933 Y HN -0.075 nan 8.280 nan 0.000 0.542 934 K N -0.285 120.207 120.400 0.154 0.000 2.211 934 K HA -0.250 4.070 4.320 -0.001 0.000 0.203 934 K C 2.083 178.678 176.600 -0.009 0.000 1.050 934 K CA 1.566 57.898 56.287 0.074 0.000 0.945 934 K CB -0.023 32.517 32.500 0.067 0.000 0.732 934 K HN 0.292 nan 8.250 nan 0.000 0.451 935 Q N 0.754 120.544 119.800 -0.018 0.000 2.089 935 Q HA 0.029 4.369 4.340 -0.001 0.000 0.195 935 Q C 1.816 177.772 176.000 -0.073 0.000 0.963 935 Q CA 1.201 56.978 55.803 -0.043 0.000 0.834 935 Q CB -0.095 28.626 28.738 -0.029 0.000 0.906 935 Q HN 0.355 nan 8.270 nan 0.000 0.452 936 L N -0.334 120.830 121.223 -0.098 0.000 2.349 936 L HA -0.144 4.195 4.340 -0.001 0.000 0.220 936 L C 1.995 178.806 176.870 -0.099 0.000 1.130 936 L CA 0.509 55.266 54.840 -0.138 0.000 0.791 936 L CB -0.299 41.597 42.059 -0.271 0.000 0.918 936 L HN 0.114 nan 8.230 nan 0.000 0.444 937 V N -0.664 119.153 119.914 -0.162 0.000 2.500 937 V HA -0.158 3.962 4.120 -0.001 0.000 0.243 937 V C 2.309 178.333 176.094 -0.117 0.000 1.039 937 V CA 1.333 63.528 62.300 -0.175 0.000 1.053 937 V CB -0.128 31.595 31.823 -0.166 0.000 0.695 937 V HN 0.323 nan 8.190 nan 0.000 0.463 938 K N -0.180 120.174 120.400 -0.076 0.000 2.283 938 K HA -0.135 4.184 4.320 -0.001 0.000 0.202 938 K C 1.643 178.229 176.600 -0.022 0.000 1.048 938 K CA 1.225 57.484 56.287 -0.047 0.000 0.948 938 K CB -0.076 32.392 32.500 -0.053 0.000 0.742 938 K HN 0.413 nan 8.250 nan 0.000 0.458 939 D N -0.016 120.362 120.400 -0.035 0.000 2.137 939 D HA -0.086 4.553 4.640 -0.001 0.000 0.202 939 D C 1.763 178.103 176.300 0.067 0.000 0.970 939 D CA 0.820 54.831 54.000 0.018 0.000 0.837 939 D CB 0.053 40.846 40.800 -0.012 0.000 0.981 939 D HN 0.041 nan 8.370 nan 0.000 0.475 940 R N 0.921 121.398 120.500 -0.040 0.000 2.115 940 R HA -0.068 4.271 4.340 -0.001 0.000 0.230 940 R C 1.946 178.209 176.300 -0.063 0.000 1.111 940 R CA 0.921 56.965 56.100 -0.094 0.000 0.976 940 R CB 0.103 30.193 30.300 -0.350 0.000 0.870 940 R HN 0.038 nan 8.270 nan 0.000 0.445 941 K N -0.330 120.040 120.400 -0.050 0.000 2.103 941 K HA -0.145 4.174 4.320 -0.001 0.000 0.204 941 K C 1.880 178.496 176.600 0.027 0.000 1.052 941 K CA 1.107 57.374 56.287 -0.033 0.000 0.945 941 K CB -0.172 32.307 32.500 -0.035 0.000 0.722 941 K HN 0.134 nan 8.250 nan 0.000 0.443 942 F N 1.377 121.284 119.950 -0.071 0.000 2.234 942 F HA -0.080 4.446 4.527 -0.001 0.000 0.299 942 F C 1.542 177.305 175.800 -0.063 0.000 1.087 942 F CA 0.999 58.955 58.000 -0.072 0.000 1.340 942 F CB 0.075 39.031 39.000 -0.073 0.000 1.031 942 F HN -0.072 nan 8.300 nan 0.000 0.500 943 L N -0.099 121.149 121.223 0.042 0.000 2.240 943 L HA -0.033 4.306 4.340 -0.001 0.000 0.211 943 L C 2.491 179.382 176.870 0.035 0.000 1.106 943 L CA 0.734 55.602 54.840 0.046 0.000 0.793 943 L CB -0.537 41.670 42.059 0.248 0.000 0.927 943 L HN -0.001 nan 8.230 nan 0.000 0.446 944 R N -0.073 120.438 120.500 0.018 0.000 2.148 944 R HA -0.145 4.194 4.340 -0.001 0.000 0.223 944 R C 2.058 178.334 176.300 -0.041 0.000 1.088 944 R CA 0.963 57.101 56.100 0.062 0.000 0.985 944 R CB -0.020 30.311 30.300 0.051 0.000 0.880 944 R HN 0.405 nan 8.270 nan 0.000 0.451 945 E N 0.444 120.541 120.200 -0.172 0.000 2.112 945 E HA -0.103 4.247 4.350 -0.001 0.000 0.190 945 E C 1.769 178.138 176.600 -0.385 0.000 0.979 945 E CA 0.706 56.956 56.400 -0.249 0.000 0.814 945 E CB 0.311 29.852 29.700 -0.264 0.000 0.762 945 E HN 0.027 nan 8.360 nan 0.000 0.460 946 V N 0.264 119.804 119.914 -0.624 0.000 2.255 946 V HA -0.133 3.987 4.120 -0.001 0.000 0.243 946 V C 0.836 176.496 176.094 -0.723 0.000 1.038 946 V CA 1.317 63.105 62.300 -0.852 0.000 1.008 946 V CB -0.261 30.754 31.823 -1.346 0.000 0.645 946 V HN 0.214 nan 8.190 nan 0.000 0.449 947 F N 0.613 120.425 119.950 -0.230 0.000 2.508 947 F HA 0.267 4.794 4.527 -0.001 0.000 0.329 947 F C 1.332 177.110 175.800 -0.038 0.000 1.198 947 F CA -0.419 57.524 58.000 -0.096 0.000 1.268 947 F CB 0.057 39.065 39.000 0.014 0.000 1.584 947 F HN -0.015 nan 8.300 nan 0.000 0.570 948 V N -2.075 117.865 119.914 0.044 0.000 2.568 948 V HA -0.298 3.821 4.120 -0.001 0.000 0.253 948 V C 1.991 178.117 176.094 0.053 0.000 1.072 948 V CA 1.985 64.308 62.300 0.038 0.000 1.084 948 V CB -0.610 31.196 31.823 -0.029 0.000 0.676 948 V HN 0.558 nan 8.190 nan 0.000 0.469 949 D N 1.891 122.313 120.400 0.037 0.000 2.178 949 D HA 0.025 4.665 4.640 -0.001 0.000 0.201 949 D C 1.723 177.888 176.300 -0.224 0.000 0.980 949 D CA 1.273 55.251 54.000 -0.037 0.000 0.842 949 D CB -0.740 40.059 40.800 -0.002 0.000 0.948 949 D HN 1.105 nan 8.370 nan 0.000 0.472 950 G N 0.642 109.334 108.800 -0.180 0.000 2.203 950 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.231 950 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.231 950 G C -0.258 174.433 174.900 -0.348 0.000 1.058 950 G CA 0.166 44.977 45.100 -0.483 0.000 0.781 950 G HN 0.612 nan 8.290 nan 0.000 0.496 951 E N -0.049 120.085 120.200 -0.109 0.000 2.301 951 E HA 0.774 5.124 4.350 -0.001 0.000 0.275 951 E C 1.034 177.543 176.600 -0.152 0.000 1.030 951 E CA 0.449 56.732 56.400 -0.195 0.000 0.852 951 E CB 1.084 30.605 29.700 -0.297 0.000 1.060 951 E HN 0.679 nan 8.360 nan 0.000 0.401 952 A N 4.485 127.153 122.820 -0.253 0.000 2.127 952 A HA 0.153 4.473 4.320 -0.001 0.000 0.204 952 A C -0.009 177.451 177.584 -0.207 0.000 1.243 952 A CA -0.230 51.730 52.037 -0.129 0.000 0.887 952 A CB -0.027 18.938 19.000 -0.059 0.000 0.933 952 A HN 0.603 nan 8.150 nan 0.000 0.479 953 N N -0.003 118.428 118.700 -0.449 0.000 2.422 953 N HA 0.401 5.141 4.740 -0.001 0.000 0.264 953 N C -1.491 173.576 175.510 -0.738 0.000 1.063 953 N CA 0.323 53.126 53.050 -0.411 0.000 0.959 953 N CB 0.448 38.740 38.487 -0.325 0.000 1.087 953 N HN 0.491 nan 8.380 nan 0.000 0.483 954 W N 1.471 122.685 121.300 -0.144 0.000 3.217 954 W HA 0.339 4.999 4.660 -0.001 0.000 0.323 954 W C -2.176 174.330 176.519 -0.023 0.000 1.216 954 W CA -1.629 55.647 57.345 -0.115 0.000 1.194 954 W CB 1.675 31.015 29.460 -0.199 0.000 1.397 954 W HN 0.298 nan 8.180 nan 0.000 0.537 955 P HA 0.367 nan 4.420 nan 0.000 0.271 955 P C -0.995 176.430 177.300 0.208 0.000 1.216 955 P CA 0.345 63.581 63.100 0.226 0.000 0.776 955 P CB 1.393 33.251 31.700 0.262 0.000 0.881 956 L N 3.290 124.612 121.223 0.165 0.000 2.666 956 L HA 0.295 4.635 4.340 -0.001 0.000 0.259 956 L C -2.612 174.333 176.870 0.126 0.000 0.919 956 L CA -2.147 52.797 54.840 0.173 0.000 0.927 956 L CB 2.830 45.043 42.059 0.257 0.000 1.423 956 L HN 0.188 nan 8.230 nan 0.000 0.426 957 P HA 0.106 nan 4.420 nan 0.000 0.267 957 P C -0.548 176.734 177.300 -0.030 0.000 1.200 957 P CA 0.294 63.298 63.100 -0.159 0.000 0.772 957 P CB 0.750 32.106 31.700 -0.573 0.000 0.855 958 V N 0.270 120.187 119.914 0.005 0.000 3.497 958 V HA -0.218 3.902 4.120 -0.001 0.000 0.484 958 V C 0.475 176.673 176.094 0.173 0.000 0.682 958 V CA 0.042 62.408 62.300 0.109 0.000 2.014 958 V CB -1.493 30.452 31.823 0.203 0.000 2.451 958 V HN 0.853 nan 8.190 nan 0.000 0.502 959 N N 4.728 123.492 118.700 0.106 0.000 2.448 959 N HA 0.323 5.063 4.740 -0.001 0.000 0.250 959 N C 0.803 176.350 175.510 0.061 0.000 1.136 959 N CA 0.059 53.157 53.050 0.080 0.000 0.953 959 N CB 0.651 39.163 38.487 0.041 0.000 1.251 959 N HN 0.672 nan 8.380 nan 0.000 0.502 960 I N 2.506 123.119 120.570 0.071 0.000 2.202 960 I HA -0.185 3.985 4.170 -0.001 0.000 0.242 960 I C 2.449 178.551 176.117 -0.025 0.000 1.091 960 I CA 0.623 61.937 61.300 0.023 0.000 1.368 960 I CB -0.094 37.917 38.000 0.019 0.000 1.058 960 I HN 0.524 nan 8.210 nan 0.000 0.410 961 R N 0.614 121.107 120.500 -0.012 0.000 2.119 961 R HA -0.233 4.107 4.340 -0.001 0.000 0.246 961 R C 2.489 178.754 176.300 -0.058 0.000 1.146 961 R CA 1.703 57.779 56.100 -0.040 0.000 0.962 961 R CB -0.246 30.058 30.300 0.006 0.000 0.863 961 R HN 0.252 nan 8.270 nan 0.000 0.442 962 R N 0.241 120.726 120.500 -0.026 0.000 2.148 962 R HA -0.061 4.278 4.340 -0.001 0.000 0.227 962 R C 2.175 178.453 176.300 -0.037 0.000 1.103 962 R CA 1.028 57.112 56.100 -0.027 0.000 0.983 962 R CB -0.081 30.225 30.300 0.011 0.000 0.874 962 R HN 0.296 nan 8.270 nan 0.000 0.451 963 I N 0.480 121.030 120.570 -0.033 0.000 2.286 963 I HA -0.261 3.909 4.170 -0.001 0.000 0.245 963 I C 1.879 177.993 176.117 -0.004 0.000 1.104 963 I CA 0.682 61.968 61.300 -0.022 0.000 1.397 963 I CB -0.099 37.856 38.000 -0.075 0.000 1.072 963 I HN 0.129 nan 8.210 nan 0.000 0.417 964 I N 0.627 121.132 120.570 -0.108 0.000 2.286 964 I HA -0.280 3.890 4.170 -0.001 0.000 0.248 964 I C 2.389 178.413 176.117 -0.155 0.000 1.115 964 I CA 1.640 62.819 61.300 -0.203 0.000 1.392 964 I CB -1.225 36.460 38.000 -0.525 0.000 1.065 964 I HN 0.371 nan 8.210 nan 0.000 0.418 965 Q N -0.011 119.691 119.800 -0.163 0.000 2.297 965 Q HA -0.086 4.254 4.340 -0.001 0.000 0.204 965 Q C 1.673 177.497 176.000 -0.293 0.000 0.962 965 Q CA 0.663 56.325 55.803 -0.235 0.000 0.879 965 Q CB -0.007 28.534 28.738 -0.328 0.000 0.947 965 Q HN 0.459 nan 8.270 nan 0.000 0.462 966 N N -0.157 118.477 118.700 -0.110 0.000 2.446 966 N HA 0.015 4.755 4.740 -0.001 0.000 0.179 966 N C 1.090 176.707 175.510 0.178 0.000 1.054 966 N CA 0.805 53.892 53.050 0.063 0.000 0.905 966 N CB 0.254 38.899 38.487 0.264 0.000 0.973 966 N HN 0.218 nan 8.380 nan 0.000 0.448 967 A N 1.337 124.271 122.820 0.190 0.000 1.871 967 A HA -0.103 4.216 4.320 -0.001 0.000 0.211 967 A C 1.964 179.585 177.584 0.062 0.000 1.207 967 A CA 0.760 52.867 52.037 0.116 0.000 0.620 967 A CB -0.538 18.534 19.000 0.120 0.000 0.860 967 A HN 0.409 nan 8.150 nan 0.000 0.450 968 Q N -0.002 119.809 119.800 0.018 0.000 2.500 968 Q HA -0.193 4.146 4.340 -0.001 0.000 0.213 968 Q C 1.577 177.578 176.000 0.002 0.000 0.974 968 Q CA 1.538 57.353 55.803 0.019 0.000 0.918 968 Q CB -0.315 28.454 28.738 0.052 0.000 0.980 968 Q HN 0.840 nan 8.270 nan 0.000 0.505 969 Q N -0.422 119.370 119.800 -0.012 0.000 2.402 969 Q HA 0.155 4.495 4.340 -0.001 0.000 0.231 969 Q C 1.452 177.428 176.000 -0.040 0.000 0.888 969 Q CA 0.798 56.568 55.803 -0.055 0.000 0.938 969 Q CB -0.056 28.721 28.738 0.063 0.000 1.086 969 Q HN 0.108 nan 8.270 nan 0.000 0.543 970 T N 0.492 115.048 114.554 0.003 0.000 2.701 970 T HA -0.008 4.341 4.350 -0.001 0.000 0.263 970 T C 0.540 175.168 174.700 -0.121 0.000 1.040 970 T CA 1.330 63.373 62.100 -0.095 0.000 1.147 970 T CB -0.260 68.428 68.868 -0.300 0.000 0.865 970 T HN 0.282 nan 8.240 nan 0.000 0.426 971 F N 0.624 120.491 119.950 -0.139 0.000 2.797 971 F HA 0.233 4.759 4.527 -0.001 0.000 0.302 971 F C 0.859 176.682 175.800 0.038 0.000 1.130 971 F CA -0.332 57.619 58.000 -0.082 0.000 1.387 971 F CB -0.804 38.119 39.000 -0.128 0.000 1.107 971 F HN 0.280 nan 8.300 nan 0.000 0.577 972 H N 0.604 119.707 119.070 0.055 0.000 2.514 972 H HA -0.198 4.357 4.556 -0.001 0.000 0.318 972 H C -0.138 175.203 175.328 0.021 0.000 0.994 972 H CA 0.045 56.110 56.048 0.029 0.000 1.056 972 H CB -0.774 28.988 29.762 0.001 0.000 1.621 972 H HN 0.132 nan 8.280 nan 0.000 0.360 973 I N 4.066 124.652 120.570 0.027 0.000 2.315 973 I HA 0.076 4.245 4.170 -0.001 0.000 0.291 973 I C 0.236 176.254 176.117 -0.164 0.000 1.006 973 I CA -0.789 60.477 61.300 -0.056 0.000 1.265 973 I CB 0.751 38.694 38.000 -0.095 0.000 1.387 973 I HN 0.263 nan 8.210 nan 0.000 0.475 974 D N 6.295 126.644 120.400 -0.085 0.000 2.350 974 D HA 0.028 4.667 4.640 -0.001 0.000 0.249 974 D C 0.174 176.399 176.300 -0.124 0.000 1.119 974 D CA 0.046 54.016 54.000 -0.051 0.000 0.886 974 D CB 0.581 41.395 40.800 0.024 0.000 1.195 974 D HN 0.556 nan 8.370 nan 0.000 0.437 975 H N 1.063 120.154 119.070 0.036 0.000 2.645 975 H HA 0.059 4.614 4.556 -0.001 0.000 0.300 975 H C 0.923 176.262 175.328 0.019 0.000 1.065 975 H CA 0.480 56.545 56.048 0.029 0.000 1.173 975 H CB -0.054 29.726 29.762 0.031 0.000 1.383 975 H HN 0.641 nan 8.280 nan 0.000 0.566 976 T N -2.939 111.661 114.554 0.076 0.000 3.058 976 T HA 0.089 4.439 4.350 -0.001 0.000 0.247 976 T C 0.846 175.561 174.700 0.024 0.000 0.987 976 T CA -0.279 61.851 62.100 0.050 0.000 1.062 976 T CB 0.619 69.513 68.868 0.045 0.000 1.048 976 T HN -0.114 nan 8.240 nan 0.000 0.468 977 K N 3.846 124.253 120.400 0.012 0.000 2.276 977 K HA 0.473 4.792 4.320 -0.001 0.000 0.283 977 K C -2.513 174.084 176.600 -0.005 0.000 1.044 977 K CA -2.350 53.939 56.287 0.003 0.000 0.944 977 K CB 0.641 33.142 32.500 0.002 0.000 1.012 977 K HN 0.271 nan 8.250 nan 0.000 0.472 978 P HA -0.029 nan 4.420 nan 0.000 0.269 978 P C -0.354 176.935 177.300 -0.017 0.000 1.209 978 P CA -0.267 62.825 63.100 -0.012 0.000 0.776 978 P CB 1.005 32.697 31.700 -0.013 0.000 0.876 979 S N 0.785 116.470 115.700 -0.025 0.000 2.593 979 S HA 0.058 4.528 4.470 -0.001 0.000 0.269 979 S C 0.789 175.369 174.600 -0.033 0.000 1.334 979 S CA -0.430 57.751 58.200 -0.031 0.000 1.015 979 S CB -0.064 63.109 63.200 -0.046 0.000 0.912 979 S HN 0.556 nan 8.310 nan 0.000 0.541 980 D N 3.088 123.470 120.400 -0.031 0.000 2.525 980 D HA 0.150 4.789 4.640 -0.001 0.000 0.229 980 D C 0.106 176.380 176.300 -0.042 0.000 1.202 980 D CA -0.182 53.801 54.000 -0.028 0.000 0.828 980 D CB -0.163 40.631 40.800 -0.011 0.000 1.008 980 D HN 0.313 nan 8.370 nan 0.000 0.493 981 L N 0.923 122.102 121.223 -0.073 0.000 2.399 981 L HA 0.252 4.591 4.340 -0.001 0.000 0.266 981 L C 0.509 177.319 176.870 -0.100 0.000 1.114 981 L CA -0.242 54.530 54.840 -0.113 0.000 0.804 981 L CB 1.534 43.467 42.059 -0.210 0.000 1.146 981 L HN -0.130 nan 8.230 nan 0.000 0.451 982 T N 2.149 116.645 114.554 -0.097 0.000 2.882 982 T HA 0.226 4.575 4.350 -0.001 0.000 0.287 982 T C 1.557 176.197 174.700 -0.100 0.000 0.992 982 T CA -0.707 61.346 62.100 -0.078 0.000 1.076 982 T CB 1.378 70.214 68.868 -0.054 0.000 0.961 982 T HN 0.311 nan 8.240 nan 0.000 0.490 983 I N 1.353 121.876 120.570 -0.078 0.000 2.730 983 I HA -0.143 4.027 4.170 -0.001 0.000 0.266 983 I C 1.985 178.064 176.117 -0.063 0.000 1.228 983 I CA 1.568 62.824 61.300 -0.073 0.000 1.445 983 I CB -0.785 37.185 38.000 -0.050 0.000 1.102 983 I HN 0.723 nan 8.210 nan 0.000 0.464 984 K N 0.307 120.674 120.400 -0.056 0.000 2.334 984 K HA -0.047 4.272 4.320 -0.001 0.000 0.195 984 K C 1.201 177.777 176.600 -0.040 0.000 1.045 984 K CA 0.301 56.566 56.287 -0.037 0.000 1.004 984 K CB 0.379 32.865 32.500 -0.023 0.000 0.837 984 K HN 0.118 nan 8.250 nan 0.000 0.510 985 D N 0.752 121.109 120.400 -0.072 0.000 2.234 985 D HA -0.050 4.590 4.640 -0.001 0.000 0.205 985 D C 1.577 177.806 176.300 -0.118 0.000 0.962 985 D CA 0.788 54.745 54.000 -0.073 0.000 0.855 985 D CB 0.208 40.950 40.800 -0.098 0.000 0.951 985 D HN 0.207 nan 8.370 nan 0.000 0.500 986 I N -0.301 120.144 120.570 -0.208 0.000 2.296 986 I HA -0.147 4.022 4.170 -0.001 0.000 0.242 986 I C 2.196 178.310 176.117 -0.004 0.000 1.087 986 I CA 0.425 61.577 61.300 -0.247 0.000 1.393 986 I CB 0.023 37.835 38.000 -0.313 0.000 1.093 986 I HN -0.141 nan 8.210 nan 0.000 0.421 987 V N 0.806 120.711 119.914 -0.015 0.000 2.358 987 V HA -0.250 3.869 4.120 -0.001 0.000 0.246 987 V C 2.226 178.341 176.094 0.035 0.000 1.047 987 V CA 1.810 64.121 62.300 0.020 0.000 1.035 987 V CB -0.273 31.554 31.823 0.006 0.000 0.658 987 V HN 0.381 nan 8.190 nan 0.000 0.452 988 L N -0.201 121.038 121.223 0.027 0.000 2.375 988 L HA 0.209 4.549 4.340 -0.001 0.000 0.215 988 L C 2.232 179.133 176.870 0.052 0.000 1.108 988 L CA 1.161 56.018 54.840 0.030 0.000 0.830 988 L CB -0.414 41.655 42.059 0.017 0.000 0.959 988 L HN 0.321 nan 8.230 nan 0.000 0.457 989 G N -0.761 108.092 108.800 0.087 0.000 2.433 989 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.216 989 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.216 989 G C 1.472 176.446 174.900 0.125 0.000 1.186 989 G CA 0.904 46.092 45.100 0.147 0.000 0.779 989 G HN 0.218 nan 8.290 nan 0.000 0.543 990 V N 0.361 120.361 119.914 0.143 0.000 2.913 990 V HA 0.039 4.159 4.120 -0.001 0.000 0.260 990 V C 2.541 178.656 176.094 0.035 0.000 1.098 990 V CA 2.198 64.555 62.300 0.096 0.000 1.121 990 V CB -0.165 31.733 31.823 0.125 0.000 0.714 990 V HN 0.432 nan 8.190 nan 0.000 0.487 991 K N -0.984 119.435 120.400 0.032 0.000 2.323 991 K HA -0.056 4.264 4.320 -0.001 0.000 0.197 991 K C 1.482 178.081 176.600 -0.002 0.000 1.043 991 K CA 0.900 57.192 56.287 0.007 0.000 0.997 991 K CB 0.108 32.613 32.500 0.008 0.000 0.807 991 K HN 0.393 nan 8.250 nan 0.000 0.497 992 D N 0.933 121.338 120.400 0.009 0.000 2.194 992 D HA -0.116 4.523 4.640 -0.001 0.000 0.204 992 D C 1.706 177.996 176.300 -0.016 0.000 0.964 992 D CA 0.479 54.479 54.000 0.000 0.000 0.846 992 D CB 0.098 40.906 40.800 0.014 0.000 0.962 992 D HN 0.138 nan 8.370 nan 0.000 0.490 993 L N 0.887 122.100 121.223 -0.017 0.000 2.005 993 L HA -0.130 4.210 4.340 -0.001 0.000 0.207 993 L C 2.110 178.941 176.870 -0.065 0.000 1.072 993 L CA 1.803 56.618 54.840 -0.042 0.000 0.744 993 L CB -0.835 41.199 42.059 -0.043 0.000 0.895 993 L HN -0.070 nan 8.230 nan 0.000 0.433 994 Q N -0.669 119.098 119.800 -0.055 0.000 2.224 994 Q HA -0.288 4.052 4.340 -0.001 0.000 0.213 994 Q C 2.104 178.056 176.000 -0.081 0.000 0.998 994 Q CA 2.228 57.990 55.803 -0.068 0.000 0.895 994 Q CB -0.074 28.635 28.738 -0.048 0.000 0.926 994 Q HN 0.565 nan 8.270 nan 0.000 0.417 995 E N 0.058 120.221 120.200 -0.062 0.000 2.107 995 E HA -0.099 4.251 4.350 -0.001 0.000 0.191 995 E C 0.704 177.264 176.600 -0.067 0.000 0.982 995 E CA 1.006 57.373 56.400 -0.055 0.000 0.809 995 E CB -0.096 29.583 29.700 -0.035 0.000 0.756 995 E HN 0.639 nan 8.360 nan 0.000 0.459 996 N N 0.308 118.961 118.700 -0.079 0.000 2.380 996 N HA 0.084 4.824 4.740 -0.001 0.000 0.255 996 N C 1.278 176.704 175.510 -0.140 0.000 1.158 996 N CA -0.041 52.959 53.050 -0.082 0.000 0.878 996 N CB 0.402 38.858 38.487 -0.052 0.000 1.138 996 N HN 0.076 nan 8.380 nan 0.000 0.509 997 L N -0.059 121.023 121.223 -0.234 0.000 2.270 997 L HA 0.136 4.475 4.340 -0.001 0.000 0.210 997 L C 0.460 177.104 176.870 -0.377 0.000 1.104 997 L CA 0.175 54.710 54.840 -0.509 0.000 0.804 997 L CB -0.064 41.527 42.059 -0.780 0.000 0.937 997 L HN 0.215 nan 8.230 nan 0.000 0.450 998 L N 0.577 121.703 121.223 -0.161 0.000 3.290 998 L HA -0.235 4.105 4.340 -0.001 0.000 0.575 998 L C 0.826 177.750 176.870 0.090 0.000 1.005 998 L CA 0.139 54.965 54.840 -0.023 0.000 1.235 998 L CB -1.021 41.032 42.059 -0.011 0.000 1.196 998 L HN 0.022 nan 8.230 nan 0.000 0.640 999 V N 3.682 123.662 119.914 0.110 0.000 2.627 999 V HA 0.130 4.249 4.120 -0.001 0.000 0.239 999 V C 1.074 177.217 176.094 0.081 0.000 1.077 999 V CA 0.745 63.128 62.300 0.138 0.000 1.103 999 V CB 0.390 32.309 31.823 0.159 0.000 0.802 999 V HN 0.490 nan 8.190 nan 0.000 0.482 1000 L N -0.071 121.191 121.223 0.066 0.000 2.331 1000 L HA 0.487 4.826 4.340 -0.001 0.000 0.275 1000 L C 0.910 177.806 176.870 0.042 0.000 1.022 1000 L CA -0.074 54.800 54.840 0.057 0.000 0.812 1000 L CB 1.784 43.878 42.059 0.057 0.000 1.257 1000 L HN -0.013 nan 8.230 nan 0.000 0.435 1001 R N 0.852 121.378 120.500 0.043 0.000 2.472 1001 R HA 0.203 4.543 4.340 -0.001 0.000 0.279 1001 R C 0.567 176.883 176.300 0.027 0.000 0.953 1001 R CA -0.279 55.840 56.100 0.032 0.000 1.088 1001 R CB 0.786 31.107 30.300 0.034 0.000 1.197 1001 R HN 0.821 nan 8.270 nan 0.000 0.536 1002 G N 0.914 109.732 108.800 0.030 0.000 2.391 1002 G HA2 -0.125 3.834 3.960 -0.001 0.000 0.234 1002 G HA3 -0.125 3.834 3.960 -0.001 0.000 0.234 1002 G C -0.265 174.643 174.900 0.014 0.000 1.284 1002 G CA -0.041 45.073 45.100 0.024 0.000 0.873 1002 G HN 0.123 nan 8.290 nan 0.000 0.549 1003 K N 1.275 121.681 120.400 0.011 0.000 3.174 1003 K HA 0.181 4.500 4.320 -0.001 0.000 0.207 1003 K C -0.352 176.250 176.600 0.003 0.000 1.190 1003 K CA -0.474 55.816 56.287 0.005 0.000 1.054 1003 K CB -0.202 32.300 32.500 0.004 0.000 1.154 1003 K HN 0.749 nan 8.250 nan 0.000 0.495 1004 N N -2.025 116.677 118.700 0.003 0.000 2.591 1004 N HA 0.033 4.772 4.740 -0.001 0.000 0.263 1004 N C 0.376 175.884 175.510 -0.004 0.000 1.308 1004 N CA -0.813 52.237 53.050 0.000 0.000 0.837 1004 N CB 1.029 39.518 38.487 0.003 0.000 1.548 1004 N HN -0.135 nan 8.380 nan 0.000 0.493 1005 E N 0.240 120.435 120.200 -0.007 0.000 2.113 1005 E HA -0.241 4.109 4.350 -0.001 0.000 0.210 1005 E C 1.196 177.786 176.600 -0.017 0.000 1.040 1005 E CA 2.283 58.675 56.400 -0.013 0.000 0.847 1005 E CB -0.169 29.523 29.700 -0.014 0.000 0.755 1005 E HN 0.636 nan 8.360 nan 0.000 0.459 1006 I N 0.354 120.915 120.570 -0.016 0.000 2.163 1006 I HA -0.215 3.955 4.170 -0.001 0.000 0.240 1006 I C 2.528 178.632 176.117 -0.022 0.000 1.081 1006 I CA 1.277 62.562 61.300 -0.025 0.000 1.353 1006 I CB -1.233 36.753 38.000 -0.024 0.000 1.054 1006 I HN 0.236 nan 8.210 nan 0.000 0.407 1007 I N 0.180 120.746 120.570 -0.006 0.000 2.315 1007 I HA -0.242 3.928 4.170 -0.001 0.000 0.248 1007 I C 2.617 178.735 176.117 0.001 0.000 1.117 1007 I CA 0.831 62.134 61.300 0.005 0.000 1.404 1007 I CB -0.545 37.467 38.000 0.020 0.000 1.071 1007 I HN 0.261 nan 8.210 nan 0.000 0.419 1008 Q N 0.951 120.748 119.800 -0.004 0.000 2.112 1008 Q HA -0.201 4.139 4.340 -0.001 0.000 0.206 1008 Q C 1.989 177.980 176.000 -0.016 0.000 0.987 1008 Q CA 1.518 57.316 55.803 -0.009 0.000 0.858 1008 Q CB -0.574 28.157 28.738 -0.011 0.000 0.905 1008 Q HN 0.514 nan 8.270 nan 0.000 0.420 1009 N N 0.141 118.828 118.700 -0.022 0.000 2.244 1009 N HA -0.084 4.656 4.740 -0.001 0.000 0.183 1009 N C 1.488 176.982 175.510 -0.027 0.000 1.016 1009 N CA 1.246 54.278 53.050 -0.030 0.000 0.866 1009 N CB -0.117 38.347 38.487 -0.038 0.000 0.980 1009 N HN 0.246 nan 8.380 nan 0.000 0.430 1010 A N 0.414 123.221 122.820 -0.020 0.000 2.014 1010 A HA -0.119 4.201 4.320 -0.001 0.000 0.218 1010 A C 2.154 179.743 177.584 0.009 0.000 1.163 1010 A CA 1.163 53.194 52.037 -0.009 0.000 0.652 1010 A CB -0.370 18.630 19.000 -0.001 0.000 0.808 1010 A HN 0.223 nan 8.150 nan 0.000 0.449 1011 Q N 0.336 120.141 119.800 0.008 0.000 2.119 1011 Q HA -0.112 4.228 4.340 -0.001 0.000 0.201 1011 Q C 2.083 178.085 176.000 0.004 0.000 0.972 1011 Q CA 2.012 57.823 55.803 0.014 0.000 0.847 1011 Q CB -0.384 28.358 28.738 0.007 0.000 0.903 1011 Q HN 0.623 nan 8.270 nan 0.000 0.433 1012 R N -0.193 120.299 120.500 -0.013 0.000 2.070 1012 R HA -0.123 4.216 4.340 -0.001 0.000 0.233 1012 R C 1.636 177.923 176.300 -0.023 0.000 1.137 1012 R CA 1.787 57.871 56.100 -0.027 0.000 0.945 1012 R CB -0.154 30.122 30.300 -0.040 0.000 0.845 1012 R HN 0.381 nan 8.270 nan 0.000 0.430 1013 D N 0.061 120.449 120.400 -0.020 0.000 2.144 1013 D HA -0.114 4.526 4.640 -0.001 0.000 0.200 1013 D C 1.585 177.893 176.300 0.013 0.000 0.978 1013 D CA 1.339 55.329 54.000 -0.016 0.000 0.833 1013 D CB -0.202 40.587 40.800 -0.019 0.000 0.961 1013 D HN 0.322 nan 8.370 nan 0.000 0.470 1014 A N 0.310 123.149 122.820 0.032 0.000 2.186 1014 A HA -0.059 4.260 4.320 -0.001 0.000 0.219 1014 A C 2.118 179.766 177.584 0.106 0.000 1.159 1014 A CA 0.975 53.050 52.037 0.063 0.000 0.680 1014 A CB 0.012 19.056 19.000 0.074 0.000 0.787 1014 A HN 0.187 nan 8.150 nan 0.000 0.467 1015 V N -2.771 117.202 119.914 0.099 0.000 3.480 1015 V HA -0.059 4.061 4.120 -0.001 0.000 0.263 1015 V C 2.125 178.300 176.094 0.135 0.000 1.442 1015 V CA 1.048 63.445 62.300 0.162 0.000 1.053 1015 V CB -0.373 31.511 31.823 0.102 0.000 0.846 1015 V HN 0.458 nan 8.190 nan 0.000 0.440 1016 T N 1.498 116.077 114.554 0.040 0.000 2.572 1016 T HA -0.397 3.953 4.350 -0.001 0.000 0.258 1016 T C 1.811 176.526 174.700 0.024 0.000 1.154 1016 T CA 2.790 64.871 62.100 -0.033 0.000 1.157 1016 T CB -0.455 68.356 68.868 -0.095 0.000 0.856 1016 T HN 0.317 nan 8.240 nan 0.000 0.443 1017 L N -0.485 120.800 121.223 0.104 0.000 2.046 1017 L HA -0.042 4.297 4.340 -0.001 0.000 0.208 1017 L C 2.242 179.224 176.870 0.187 0.000 1.077 1017 L CA 1.452 56.389 54.840 0.161 0.000 0.747 1017 L CB -0.348 41.807 42.059 0.161 0.000 0.896 1017 L HN 0.250 nan 8.230 nan 0.000 0.432 1018 F N -0.408 119.598 119.950 0.094 0.000 2.171 1018 F HA -0.264 4.262 4.527 -0.001 0.000 0.300 1018 F C 2.367 178.216 175.800 0.082 0.000 1.090 1018 F CA 1.473 59.546 58.000 0.121 0.000 1.293 1018 F CB -0.605 38.525 39.000 0.216 0.000 1.013 1018 F HN 0.147 nan 8.300 nan 0.000 0.486 1019 C N -0.466 118.817 119.300 -0.029 0.000 2.453 1019 C HA -0.178 4.282 4.460 -0.001 0.000 0.277 1019 C C 3.004 177.918 174.990 -0.127 0.000 1.262 1019 C CA 0.989 59.924 59.018 -0.138 0.000 1.718 1019 C CB -1.729 25.976 27.740 -0.060 0.000 2.031 1019 C HN 0.685 nan 8.230 nan 0.000 0.480 1020 C N 0.688 119.955 119.300 -0.056 0.000 2.396 1020 C HA -0.181 4.278 4.460 -0.001 0.000 0.277 1020 C C 2.520 177.498 174.990 -0.019 0.000 1.231 1020 C CA 1.333 60.343 59.018 -0.013 0.000 1.775 1020 C CB -1.703 26.078 27.740 0.068 0.000 2.036 1020 C HN 0.685 nan 8.230 nan 0.000 0.484 1021 L N -0.057 121.122 121.223 -0.073 0.000 2.131 1021 L HA 0.055 4.395 4.340 -0.001 0.000 0.206 1021 L C 2.212 178.984 176.870 -0.162 0.000 1.087 1021 L CA 1.481 56.266 54.840 -0.091 0.000 0.767 1021 L CB -0.752 41.246 42.059 -0.102 0.000 0.917 1021 L HN 0.195 nan 8.230 nan 0.000 0.441 1022 L N -0.107 120.922 121.223 -0.324 0.000 1.994 1022 L HA -0.166 4.173 4.340 -0.001 0.000 0.208 1022 L C 2.745 179.567 176.870 -0.081 0.000 1.071 1022 L CA 1.804 56.480 54.840 -0.274 0.000 0.745 1022 L CB -0.518 41.334 42.059 -0.345 0.000 0.892 1022 L HN 0.229 nan 8.230 nan 0.000 0.431 1023 R N -0.911 119.558 120.500 -0.052 0.000 2.120 1023 R HA -0.123 4.216 4.340 -0.001 0.000 0.234 1023 R C 2.346 178.710 176.300 0.106 0.000 1.123 1023 R CA 1.372 57.485 56.100 0.022 0.000 0.975 1023 R CB -0.559 29.741 30.300 0.001 0.000 0.866 1023 R HN 0.602 nan 8.270 nan 0.000 0.446 1024 S N 1.010 116.778 115.700 0.114 0.000 2.348 1024 S HA -0.136 4.334 4.470 -0.001 0.000 0.221 1024 S C 1.925 176.688 174.600 0.271 0.000 1.033 1024 S CA 0.880 59.239 58.200 0.265 0.000 1.010 1024 S CB -0.223 63.104 63.200 0.211 0.000 0.891 1024 S HN 0.158 nan 8.310 nan 0.000 0.442 1025 R N 0.734 121.336 120.500 0.170 0.000 2.236 1025 R HA 0.364 4.704 4.340 -0.001 0.000 0.208 1025 R C 0.564 177.007 176.300 0.239 0.000 1.036 1025 R CA 0.451 56.673 56.100 0.203 0.000 1.001 1025 R CB -0.236 30.160 30.300 0.161 0.000 0.896 1025 R HN 0.410 nan 8.270 nan 0.000 0.464 1026 L N 0.561 121.885 121.223 0.169 0.000 3.047 1026 L HA 0.467 4.806 4.340 -0.001 0.000 0.242 1026 L C -0.441 176.527 176.870 0.162 0.000 1.315 1026 L CA -0.682 54.276 54.840 0.197 0.000 1.042 1026 L CB 0.740 42.892 42.059 0.155 0.000 1.420 1026 L HN 0.017 nan 8.230 nan 0.000 0.517 1027 A N -0.655 122.234 122.820 0.116 0.000 2.324 1027 A HA 0.513 4.833 4.320 -0.001 0.000 0.330 1027 A C 1.198 178.782 177.584 0.000 0.000 1.165 1027 A CA -0.307 51.780 52.037 0.084 0.000 0.813 1027 A CB 1.018 20.109 19.000 0.151 0.000 1.197 1027 A HN 0.326 nan 8.150 nan 0.000 0.484 1028 T N 1.156 115.713 114.554 0.006 0.000 2.699 1028 T HA -0.174 4.175 4.350 -0.001 0.000 0.268 1028 T C 2.108 176.759 174.700 -0.081 0.000 1.036 1028 T CA 1.702 63.779 62.100 -0.039 0.000 1.147 1028 T CB -0.189 68.663 68.868 -0.025 0.000 0.862 1028 T HN 0.586 nan 8.240 nan 0.000 0.446 1029 R N 0.901 121.344 120.500 -0.095 0.000 2.091 1029 R HA 0.021 4.361 4.340 -0.001 0.000 0.238 1029 R C 2.517 178.687 176.300 -0.217 0.000 1.136 1029 R CA 1.468 57.483 56.100 -0.142 0.000 0.959 1029 R CB -0.240 29.967 30.300 -0.155 0.000 0.856 1029 R HN 0.429 nan 8.270 nan 0.000 0.437 1030 R N -0.648 119.674 120.500 -0.296 0.000 2.066 1030 R HA 0.015 4.354 4.340 -0.001 0.000 0.224 1030 R C 2.275 178.278 176.300 -0.495 0.000 1.122 1030 R CA 1.019 56.839 56.100 -0.466 0.000 0.974 1030 R CB -0.323 29.641 30.300 -0.560 0.000 0.871 1030 R HN -0.012 nan 8.270 nan 0.000 0.435 1031 V N 1.768 121.541 119.914 -0.233 0.000 2.439 1031 V HA -0.266 3.854 4.120 -0.001 0.000 0.253 1031 V C 2.062 178.132 176.094 -0.039 0.000 1.074 1031 V CA 1.785 64.082 62.300 -0.004 0.000 1.076 1031 V CB -0.475 31.398 31.823 0.083 0.000 0.664 1031 V HN 0.291 nan 8.190 nan 0.000 0.461 1032 L N -1.529 119.630 121.223 -0.107 0.000 2.362 1032 L HA 0.063 4.402 4.340 -0.001 0.000 0.204 1032 L C 2.426 179.251 176.870 -0.075 0.000 1.060 1032 L CA 0.911 55.706 54.840 -0.075 0.000 0.827 1032 L CB -0.397 41.615 42.059 -0.079 0.000 1.027 1032 L HN 0.215 nan 8.230 nan 0.000 0.474 1033 Q N 0.310 120.036 119.800 -0.123 0.000 2.123 1033 Q HA -0.110 4.229 4.340 -0.001 0.000 0.196 1033 Q C 1.940 177.876 176.000 -0.106 0.000 0.958 1033 Q CA 1.164 56.905 55.803 -0.103 0.000 0.841 1033 Q CB 0.430 29.099 28.738 -0.116 0.000 0.915 1033 Q HN 0.408 nan 8.270 nan 0.000 0.455 1034 E N -0.775 119.293 120.200 -0.221 0.000 2.057 1034 E HA -0.042 4.308 4.350 -0.001 0.000 0.190 1034 E C -0.548 176.013 176.600 -0.064 0.000 0.969 1034 E CA 0.471 56.737 56.400 -0.224 0.000 0.812 1034 E CB 0.385 29.838 29.700 -0.412 0.000 0.777 1034 E HN 0.312 nan 8.360 nan 0.000 0.455 1035 Y N -0.844 119.490 120.300 0.057 0.000 2.363 1035 Y HA 0.478 5.027 4.550 -0.001 0.000 0.325 1035 Y C -0.575 175.373 175.900 0.080 0.000 0.984 1035 Y CA -1.049 57.114 58.100 0.105 0.000 1.248 1035 Y CB 0.432 38.945 38.460 0.089 0.000 1.116 1035 Y HN -0.307 nan 8.280 nan 0.000 0.470 1036 R N 4.550 125.182 120.500 0.219 0.000 3.247 1036 R HA 0.261 4.601 4.340 -0.001 0.000 0.212 1036 R C -0.653 175.676 176.300 0.049 0.000 1.604 1036 R CA -0.101 56.050 56.100 0.084 0.000 1.279 1036 R CB -0.109 30.205 30.300 0.024 0.000 1.277 1036 R HN 0.735 nan 8.270 nan 0.000 0.669 1037 L N 1.743 123.028 121.223 0.103 0.000 2.397 1037 L HA 0.155 4.494 4.340 -0.001 0.000 0.271 1037 L C 1.225 178.110 176.870 0.024 0.000 1.148 1037 L CA -0.119 54.773 54.840 0.086 0.000 0.825 1037 L CB 0.908 43.107 42.059 0.234 0.000 1.117 1037 L HN 0.430 nan 8.230 nan 0.000 0.456 1038 T N -1.456 113.092 114.554 -0.011 0.000 2.934 1038 T HA 0.219 4.568 4.350 -0.001 0.000 0.283 1038 T C 0.781 175.486 174.700 0.010 0.000 1.005 1038 T CA -0.876 61.213 62.100 -0.018 0.000 1.041 1038 T CB 1.972 70.826 68.868 -0.023 0.000 1.042 1038 T HN 0.584 nan 8.240 nan 0.000 0.505 1039 K N 0.671 121.078 120.400 0.012 0.000 2.074 1039 K HA -0.229 4.090 4.320 -0.001 0.000 0.209 1039 K C 2.272 178.925 176.600 0.088 0.000 1.048 1039 K CA 2.080 58.397 56.287 0.049 0.000 0.926 1039 K CB -0.576 31.939 32.500 0.026 0.000 0.713 1039 K HN 0.765 nan 8.250 nan 0.000 0.444 1040 Q N -0.536 119.292 119.800 0.047 0.000 2.020 1040 Q HA -0.140 4.199 4.340 -0.001 0.000 0.202 1040 Q C 1.993 177.946 176.000 -0.077 0.000 0.982 1040 Q CA 1.900 57.737 55.803 0.057 0.000 0.838 1040 Q CB -0.363 28.450 28.738 0.124 0.000 0.899 1040 Q HN 0.464 nan 8.270 nan 0.000 0.423 1041 A N -0.006 122.576 122.820 -0.396 0.000 1.972 1041 A HA -0.168 4.151 4.320 -0.001 0.000 0.219 1041 A C 1.801 179.261 177.584 -0.208 0.000 1.169 1041 A CA 1.104 52.623 52.037 -0.864 0.000 0.635 1041 A CB -0.819 17.548 19.000 -1.056 0.000 0.810 1041 A HN 0.608 nan 8.150 nan 0.000 0.446 1042 F N 0.975 120.838 119.950 -0.145 0.000 2.206 1042 F HA -0.106 4.421 4.527 -0.001 0.000 0.298 1042 F C 1.421 177.233 175.800 0.019 0.000 1.090 1042 F CA 1.841 59.821 58.000 -0.034 0.000 1.323 1042 F CB -0.033 38.955 39.000 -0.020 0.000 1.028 1042 F HN 0.221 nan 8.300 nan 0.000 0.492 1043 D N -0.897 119.570 120.400 0.111 0.000 2.224 1043 D HA -0.158 4.481 4.640 -0.001 0.000 0.205 1043 D C 1.625 177.951 176.300 0.044 0.000 0.965 1043 D CA 0.901 54.936 54.000 0.058 0.000 0.852 1043 D CB -0.565 40.319 40.800 0.140 0.000 0.947 1043 D HN 0.506 nan 8.370 nan 0.000 0.494 1044 W N 0.999 122.237 121.300 -0.104 0.000 2.379 1044 W HA -0.180 4.480 4.660 -0.001 0.000 0.307 1044 W C 1.971 178.422 176.519 -0.112 0.000 1.200 1044 W CA 1.069 58.382 57.345 -0.054 0.000 1.297 1044 W CB -0.417 29.051 29.460 0.014 0.000 1.140 1044 W HN -0.238 nan 8.180 nan 0.000 0.507 1045 V N 0.979 120.879 119.914 -0.023 0.000 2.392 1045 V HA -0.314 3.806 4.120 -0.001 0.000 0.249 1045 V C 2.244 178.140 176.094 -0.331 0.000 1.059 1045 V CA 1.801 63.965 62.300 -0.226 0.000 1.051 1045 V CB -0.951 30.758 31.823 -0.190 0.000 0.658 1045 V HN 0.164 nan 8.190 nan 0.000 0.455 1046 L N -0.717 120.287 121.223 -0.366 0.000 2.093 1046 L HA -0.097 4.243 4.340 -0.001 0.000 0.208 1046 L C 2.647 179.397 176.870 -0.201 0.000 1.085 1046 L CA 1.889 56.561 54.840 -0.279 0.000 0.755 1046 L CB -0.741 41.164 42.059 -0.258 0.000 0.904 1046 L HN 0.253 nan 8.230 nan 0.000 0.435 1047 S N -0.651 114.926 115.700 -0.205 0.000 2.348 1047 S HA -0.183 4.286 4.470 -0.001 0.000 0.221 1047 S C 1.850 176.307 174.600 -0.238 0.000 1.033 1047 S CA 1.469 59.561 58.200 -0.180 0.000 1.010 1047 S CB -0.294 62.822 63.200 -0.140 0.000 0.891 1047 S HN 0.514 nan 8.310 nan 0.000 0.442 1048 N N 0.811 119.261 118.700 -0.418 0.000 2.021 1048 N HA -0.155 4.585 4.740 -0.001 0.000 0.198 1048 N C 1.831 177.223 175.510 -0.196 0.000 1.041 1048 N CA 1.832 54.644 53.050 -0.397 0.000 0.862 1048 N CB -0.460 37.648 38.487 -0.632 0.000 1.048 1048 N HN 0.373 nan 8.380 nan 0.000 0.427 1049 I N 1.390 121.867 120.570 -0.155 0.000 2.194 1049 I HA -0.299 3.870 4.170 -0.001 0.000 0.246 1049 I C 2.645 178.793 176.117 0.052 0.000 1.093 1049 I CA 1.293 62.588 61.300 -0.007 0.000 1.355 1049 I CB -0.259 37.753 38.000 0.020 0.000 1.046 1049 I HN 0.284 nan 8.210 nan 0.000 0.413 1050 E N 1.015 121.206 120.200 -0.015 0.000 2.031 1050 E HA -0.253 4.097 4.350 -0.001 0.000 0.193 1050 E C 2.279 178.898 176.600 0.031 0.000 0.994 1050 E CA 1.411 57.811 56.400 -0.001 0.000 0.800 1050 E CB -0.105 29.568 29.700 -0.045 0.000 0.752 1050 E HN 0.466 nan 8.360 nan 0.000 0.447 1051 A N 0.914 123.721 122.820 -0.022 0.000 1.883 1051 A HA -0.263 4.056 4.320 -0.001 0.000 0.217 1051 A C 2.154 179.730 177.584 -0.014 0.000 1.186 1051 A CA 1.834 53.856 52.037 -0.024 0.000 0.624 1051 A CB -0.693 18.272 19.000 -0.058 0.000 0.822 1051 A HN 0.377 nan 8.150 nan 0.000 0.444 1052 Q N -2.062 117.726 119.800 -0.020 0.000 2.170 1052 Q HA -0.147 4.193 4.340 -0.001 0.000 0.203 1052 Q C 1.853 177.822 176.000 -0.051 0.000 0.976 1052 Q CA 1.378 57.163 55.803 -0.031 0.000 0.858 1052 Q CB -0.236 28.491 28.738 -0.018 0.000 0.907 1052 Q HN 0.755 nan 8.270 nan 0.000 0.433 1053 F N 1.263 121.127 119.950 -0.143 0.000 1.990 1053 F HA -0.247 4.279 4.527 -0.001 0.000 0.294 1053 F C 2.070 177.752 175.800 -0.197 0.000 1.177 1053 F CA 1.353 59.224 58.000 -0.214 0.000 1.167 1053 F CB -0.400 38.476 39.000 -0.207 0.000 0.971 1053 F HN -0.066 nan 8.300 nan 0.000 0.483 1054 L N 0.223 121.577 121.223 0.218 0.000 2.085 1054 L HA -0.369 3.970 4.340 -0.001 0.000 0.218 1054 L C 2.624 179.424 176.870 -0.117 0.000 1.080 1054 L CA 1.781 56.664 54.840 0.073 0.000 0.776 1054 L CB -0.757 41.340 42.059 0.064 0.000 0.891 1054 L HN 0.230 nan 8.230 nan 0.000 0.437 1055 R N -0.943 119.464 120.500 -0.156 0.000 2.120 1055 R HA -0.106 4.234 4.340 -0.001 0.000 0.234 1055 R C 2.461 178.431 176.300 -0.548 0.000 1.123 1055 R CA 1.428 57.373 56.100 -0.257 0.000 0.975 1055 R CB -0.178 30.015 30.300 -0.178 0.000 0.866 1055 R HN 0.309 nan 8.270 nan 0.000 0.446 1056 S N 0.316 115.681 115.700 -0.559 0.000 2.387 1056 S HA -0.015 4.455 4.470 -0.001 0.000 0.226 1056 S C 0.834 175.107 174.600 -0.546 0.000 1.026 1056 S CA 0.191 57.997 58.200 -0.657 0.000 0.972 1056 S CB 0.073 62.964 63.200 -0.515 0.000 0.814 1056 S HN 0.006 nan 8.310 nan 0.000 0.477 1057 V N 2.721 122.335 119.914 -0.501 0.000 2.832 1057 V HA -0.088 4.031 4.120 -0.001 0.000 0.299 1057 V C 0.604 176.455 176.094 -0.406 0.000 1.201 1057 V CA 0.188 62.271 62.300 -0.360 0.000 1.325 1057 V CB 0.079 31.764 31.823 -0.230 0.000 0.871 1057 V HN 0.170 nan 8.190 nan 0.000 0.509 1058 V N 6.090 125.847 119.914 -0.262 0.000 2.655 1058 V HA 0.082 4.202 4.120 -0.001 0.000 0.300 1058 V C 0.473 176.382 176.094 -0.307 0.000 1.044 1058 V CA -0.255 61.883 62.300 -0.270 0.000 1.095 1058 V CB 0.557 32.270 31.823 -0.184 0.000 0.952 1058 V HN 0.802 nan 8.190 nan 0.000 0.485 1059 H N 5.901 124.892 119.070 -0.131 0.000 2.620 1059 H HA 0.293 4.848 4.556 -0.001 0.000 0.313 1059 H C -2.251 172.945 175.328 -0.220 0.000 1.075 1059 H CA -2.208 53.759 56.048 -0.136 0.000 1.397 1059 H CB 1.088 30.794 29.762 -0.093 0.000 1.446 1059 H HN 0.472 nan 8.280 nan 0.000 0.493 1060 P HA 0.057 nan 4.420 nan 0.000 0.268 1060 P C 1.052 178.086 177.300 -0.443 0.000 1.204 1060 P CA 0.863 63.685 63.100 -0.464 0.000 0.768 1060 P CB 0.808 31.938 31.700 -0.950 0.000 0.842 1061 G N 1.636 110.221 108.800 -0.358 0.000 2.436 1061 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.204 1061 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.204 1061 G C 0.014 174.808 174.900 -0.177 0.000 1.026 1061 G CA -0.529 44.448 45.100 -0.205 0.000 0.658 1061 G HN 0.514 nan 8.290 nan 0.000 0.499 1062 E N 2.348 122.443 120.200 -0.174 0.000 2.752 1062 E HA 0.062 4.412 4.350 -0.001 0.000 0.241 1062 E C 0.657 177.144 176.600 -0.188 0.000 1.016 1062 E CA 0.525 56.824 56.400 -0.168 0.000 0.952 1062 E CB 0.109 29.675 29.700 -0.224 0.000 0.921 1062 E HN 0.322 nan 8.360 nan 0.000 0.515 1063 M N 4.395 123.913 119.600 -0.136 0.000 2.557 1063 M HA 0.019 4.498 4.480 -0.001 0.000 0.328 1063 M C 1.056 177.298 176.300 -0.097 0.000 1.423 1063 M CA -0.109 55.119 55.300 -0.119 0.000 1.418 1063 M CB -0.043 32.502 32.600 -0.092 0.000 1.381 1063 M HN 0.158 nan 8.290 nan 0.000 0.467 1064 V N 2.333 122.184 119.914 -0.106 0.000 2.970 1064 V HA -0.105 4.014 4.120 -0.001 0.000 0.260 1064 V C 2.220 178.322 176.094 0.014 0.000 1.100 1064 V CA 1.837 64.126 62.300 -0.020 0.000 1.122 1064 V CB -1.058 30.787 31.823 0.037 0.000 0.721 1064 V HN 0.937 nan 8.190 nan 0.000 0.483 1065 G N 0.811 109.592 108.800 -0.032 0.000 2.604 1065 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.216 1065 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.216 1065 G C 1.615 176.479 174.900 -0.060 0.000 1.265 1065 G CA 1.319 46.391 45.100 -0.048 0.000 0.804 1065 G HN 0.344 nan 8.290 nan 0.000 0.579 1066 V N 1.030 120.903 119.914 -0.068 0.000 2.453 1066 V HA -0.151 3.968 4.120 -0.001 0.000 0.252 1066 V C 2.790 178.840 176.094 -0.074 0.000 1.068 1066 V CA 1.248 63.506 62.300 -0.071 0.000 1.070 1066 V CB -0.585 31.202 31.823 -0.061 0.000 0.664 1066 V HN 0.238 nan 8.190 nan 0.000 0.461 1067 L N 0.551 121.737 121.223 -0.062 0.000 2.012 1067 L HA -0.161 4.179 4.340 -0.001 0.000 0.210 1067 L C 2.539 179.296 176.870 -0.188 0.000 1.073 1067 L CA 2.755 57.542 54.840 -0.088 0.000 0.748 1067 L CB -1.490 40.562 42.059 -0.011 0.000 0.891 1067 L HN 0.356 nan 8.230 nan 0.000 0.431 1068 A N -1.115 121.645 122.820 -0.100 0.000 1.929 1068 A HA 0.004 4.324 4.320 -0.001 0.000 0.216 1068 A C 2.449 179.955 177.584 -0.130 0.000 1.176 1068 A CA 1.434 53.395 52.037 -0.127 0.000 0.628 1068 A CB -0.704 18.342 19.000 0.077 0.000 0.816 1068 A HN 0.467 nan 8.150 nan 0.000 0.444 1069 A N -0.286 122.471 122.820 -0.105 0.000 1.892 1069 A HA -0.271 4.049 4.320 -0.001 0.000 0.218 1069 A C 2.130 179.652 177.584 -0.104 0.000 1.188 1069 A CA 1.801 53.772 52.037 -0.109 0.000 0.631 1069 A CB -0.679 18.250 19.000 -0.119 0.000 0.822 1069 A HN 0.640 nan 8.150 nan 0.000 0.447 1070 Q N -0.502 119.238 119.800 -0.100 0.000 2.124 1070 Q HA -0.107 4.233 4.340 -0.001 0.000 0.202 1070 Q C 2.419 178.375 176.000 -0.074 0.000 0.977 1070 Q CA 1.585 57.347 55.803 -0.069 0.000 0.850 1070 Q CB -0.202 28.520 28.738 -0.028 0.000 0.901 1070 Q HN 0.659 nan 8.270 nan 0.000 0.429 1071 S N 0.678 116.281 115.700 -0.161 0.000 2.383 1071 S HA -0.071 4.398 4.470 -0.001 0.000 0.227 1071 S C 1.898 176.429 174.600 -0.115 0.000 1.026 1071 S CA 0.881 58.953 58.200 -0.214 0.000 0.981 1071 S CB -0.036 62.785 63.200 -0.632 0.000 0.818 1071 S HN 0.263 nan 8.310 nan 0.000 0.472 1072 I N 1.148 121.659 120.570 -0.098 0.000 2.584 1072 I HA 0.032 4.201 4.170 -0.001 0.000 0.255 1072 I C 2.564 178.642 176.117 -0.066 0.000 1.145 1072 I CA 0.833 62.093 61.300 -0.066 0.000 1.462 1072 I CB -0.633 37.331 38.000 -0.059 0.000 1.102 1072 I HN 0.309 nan 8.210 nan 0.000 0.433 1073 G N 0.273 109.028 108.800 -0.076 0.000 2.414 1073 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.215 1073 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.215 1073 G C 1.590 176.442 174.900 -0.080 0.000 1.188 1073 G CA 0.529 45.584 45.100 -0.074 0.000 0.783 1073 G HN 0.307 nan 8.290 nan 0.000 0.537 1074 E N 1.060 121.198 120.200 -0.104 0.000 2.051 1074 E HA -0.104 4.246 4.350 -0.001 0.000 0.192 1074 E C 0.170 176.714 176.600 -0.092 0.000 0.991 1074 E CA 1.494 57.802 56.400 -0.154 0.000 0.799 1074 E CB -0.737 28.777 29.700 -0.309 0.000 0.748 1074 E HN 0.350 nan 8.360 nan 0.000 0.449 1075 P HA -0.053 nan 4.420 nan 0.000 0.223 1075 P C 1.171 178.452 177.300 -0.033 0.000 1.151 1075 P CA 1.475 64.558 63.100 -0.029 0.000 0.787 1075 P CB -0.097 31.592 31.700 -0.019 0.000 0.788 1076 A N 0.663 123.459 122.820 -0.040 0.000 1.883 1076 A HA -0.151 4.169 4.320 -0.001 0.000 0.217 1076 A C 2.132 179.699 177.584 -0.027 0.000 1.186 1076 A CA 2.457 54.475 52.037 -0.032 0.000 0.624 1076 A CB -1.984 16.995 19.000 -0.035 0.000 0.822 1076 A HN 0.257 nan 8.150 nan 0.000 0.444 1077 T N -0.313 114.218 114.554 -0.038 0.000 3.163 1077 T HA -0.026 4.323 4.350 -0.001 0.000 0.260 1077 T C 1.546 176.228 174.700 -0.030 0.000 1.156 1077 T CA 1.094 63.173 62.100 -0.034 0.000 1.072 1077 T CB -0.028 68.809 68.868 -0.053 0.000 0.937 1077 T HN 0.432 nan 8.240 nan 0.000 0.528 1078 Q N 0.412 120.196 119.800 -0.027 0.000 2.339 1078 Q HA 0.315 4.655 4.340 -0.001 0.000 0.205 1078 Q C 0.761 176.757 176.000 -0.008 0.000 0.925 1078 Q CA 0.222 56.015 55.803 -0.017 0.000 0.898 1078 Q CB -0.259 28.471 28.738 -0.013 0.000 1.013 1078 Q HN 0.567 nan 8.270 nan 0.000 0.504 1079 M N 1.353 120.948 119.600 -0.008 0.000 2.252 1079 M HA 0.035 4.515 4.480 -0.001 0.000 0.348 1079 M C -0.512 175.789 176.300 0.001 0.000 1.334 1079 M CA 0.946 56.245 55.300 -0.002 0.000 1.071 1079 M CB 0.418 33.016 32.600 -0.003 0.000 1.763 1079 M HN -0.212 nan 8.290 nan 0.000 0.452 1080 T N 4.830 119.387 114.554 0.005 0.000 3.186 1080 T HA 0.609 4.958 4.350 -0.001 0.000 0.320 1080 T C -0.681 174.025 174.700 0.010 0.000 0.955 1080 T CA -0.608 61.496 62.100 0.007 0.000 1.030 1080 T CB 0.794 69.665 68.868 0.006 0.000 1.013 1080 T HN 0.515 nan 8.240 nan 0.000 0.454 1093 K N -0.062 120.353 120.400 0.025 0.000 2.391 1093 K HA 0.154 4.473 4.320 -0.001 0.000 0.197 1093 K C 0.810 177.426 176.600 0.027 0.000 1.087 1093 K CA 0.074 56.375 56.287 0.023 0.000 1.012 1093 K CB 0.940 33.453 32.500 0.022 0.000 0.925 1093 K HN 0.068 nan 8.250 nan 0.000 0.547 1094 V N 2.918 122.853 119.914 0.034 0.000 2.963 1094 V HA -0.013 4.106 4.120 -0.001 0.000 0.306 1094 V C 0.688 176.803 176.094 0.035 0.000 1.077 1094 V CA -0.419 61.904 62.300 0.038 0.000 1.124 1094 V CB 0.702 32.556 31.823 0.052 0.000 0.987 1094 V HN 0.305 nan 8.190 nan 0.000 0.487 1095 T N 1.425 116.000 114.554 0.036 0.000 2.870 1095 T HA 0.493 4.842 4.350 -0.001 0.000 0.300 1095 T C 0.067 174.791 174.700 0.040 0.000 0.989 1095 T CA -0.192 61.929 62.100 0.035 0.000 1.139 1095 T CB 0.675 69.564 68.868 0.035 0.000 0.920 1095 T HN 1.111 nan 8.240 nan 0.000 0.537 1096 S N 1.464 117.184 115.700 0.034 0.000 2.618 1096 S HA 0.913 5.383 4.470 -0.001 0.000 0.277 1096 S C 0.320 174.934 174.600 0.024 0.000 1.138 1096 S CA -0.232 57.987 58.200 0.032 0.000 0.844 1096 S CB 1.512 64.731 63.200 0.031 0.000 1.127 1096 S HN 2.116 nan 8.310 nan 0.000 0.474 1097 G N 0.470 109.280 108.800 0.018 0.000 2.568 1097 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.222 1097 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.222 1097 G C 0.510 175.418 174.900 0.013 0.000 1.321 1097 G CA -0.142 44.965 45.100 0.011 0.000 0.893 1097 G HN 1.576 nan 8.290 nan 0.000 0.569 1098 V N 2.917 122.838 119.914 0.012 0.000 2.250 1098 V HA -0.175 3.944 4.120 -0.001 0.000 0.250 1098 V C 0.898 177.007 176.094 0.025 0.000 1.060 1098 V CA 3.390 65.699 62.300 0.015 0.000 1.030 1098 V CB -1.580 30.253 31.823 0.016 0.000 0.643 1098 V HN 0.755 nan 8.190 nan 0.000 0.445 1099 P HA -0.230 nan 4.420 nan 0.000 0.215 1099 P C 1.621 178.945 177.300 0.039 0.000 1.157 1099 P CA 1.863 64.983 63.100 0.034 0.000 0.874 1099 P CB -0.122 31.596 31.700 0.030 0.000 0.790 1100 R N 0.223 120.746 120.500 0.038 0.000 2.083 1100 R HA -0.121 4.218 4.340 -0.001 0.000 0.237 1100 R C 2.406 178.738 176.300 0.054 0.000 1.137 1100 R CA 1.263 57.392 56.100 0.048 0.000 0.951 1100 R CB -1.736 28.591 30.300 0.044 0.000 0.851 1100 R HN 0.107 nan 8.270 nan 0.000 0.434 1101 L N 0.872 122.116 121.223 0.035 0.000 2.083 1101 L HA -0.097 4.243 4.340 -0.001 0.000 0.209 1101 L C 2.235 179.127 176.870 0.036 0.000 1.083 1101 L CA 1.919 56.773 54.840 0.024 0.000 0.752 1101 L CB -0.449 41.611 42.059 0.002 0.000 0.899 1101 L HN 0.235 nan 8.230 nan 0.000 0.433 1102 K N -0.547 119.878 120.400 0.041 0.000 2.097 1102 K HA -0.200 4.119 4.320 -0.001 0.000 0.206 1102 K C 1.894 178.537 176.600 0.070 0.000 1.049 1102 K CA 1.697 58.014 56.287 0.050 0.000 0.933 1102 K CB -0.040 32.494 32.500 0.056 0.000 0.717 1102 K HN 0.524 nan 8.250 nan 0.000 0.442 1103 E N 0.561 120.809 120.200 0.079 0.000 2.031 1103 E HA -0.199 4.151 4.350 -0.001 0.000 0.193 1103 E C 2.058 178.755 176.600 0.162 0.000 0.994 1103 E CA 1.122 57.583 56.400 0.102 0.000 0.800 1103 E CB -0.104 29.653 29.700 0.095 0.000 0.752 1103 E HN 0.257 nan 8.360 nan 0.000 0.447 1104 I N 0.945 121.621 120.570 0.176 0.000 2.118 1104 I HA -0.263 3.906 4.170 -0.001 0.000 0.241 1104 I C 2.501 178.715 176.117 0.162 0.000 1.070 1104 I CA 1.387 62.819 61.300 0.219 0.000 1.327 1104 I CB -1.068 36.962 38.000 0.051 0.000 1.034 1104 I HN 0.107 nan 8.210 nan 0.000 0.405 1105 L N 0.534 121.806 121.223 0.081 0.000 2.109 1105 L HA -0.088 4.251 4.340 -0.001 0.000 0.207 1105 L C 2.094 179.024 176.870 0.099 0.000 1.086 1105 L CA 1.147 56.019 54.840 0.054 0.000 0.760 1105 L CB -0.796 41.267 42.059 0.006 0.000 0.910 1105 L HN 0.213 nan 8.230 nan 0.000 0.437 1106 N N -0.390 118.377 118.700 0.111 0.000 2.453 1106 N HA -0.053 4.686 4.740 -0.001 0.000 0.183 1106 N C 0.140 175.735 175.510 0.143 0.000 1.041 1106 N CA 0.463 53.588 53.050 0.126 0.000 0.900 1106 N CB 0.079 38.632 38.487 0.109 0.000 0.961 1106 N HN -0.003 nan 8.380 nan 0.000 0.443 1107 V N 0.059 120.090 119.914 0.195 0.000 5.998 1107 V HA -0.246 3.873 4.120 -0.001 0.000 0.253 1107 V C 0.241 176.380 176.094 0.076 0.000 0.630 1107 V CA 0.170 62.601 62.300 0.219 0.000 0.750 1107 V CB -2.485 29.472 31.823 0.223 0.000 0.744 1107 V HN 0.403 nan 8.190 nan 0.000 0.481 1108 A N 4.108 126.957 122.820 0.048 0.000 2.362 1108 A HA 0.572 4.892 4.320 -0.001 0.000 0.276 1108 A C 1.173 178.716 177.584 -0.069 0.000 1.153 1108 A CA -0.301 51.735 52.037 -0.001 0.000 0.813 1108 A CB 0.672 19.683 19.000 0.018 0.000 1.081 1108 A HN 0.545 nan 8.150 nan 0.000 0.507 1109 K N 1.475 121.839 120.400 -0.060 0.000 2.076 1109 K HA -0.069 4.250 4.320 -0.001 0.000 0.204 1109 K C 0.064 176.622 176.600 -0.070 0.000 1.051 1109 K CA 1.100 57.339 56.287 -0.080 0.000 0.949 1109 K CB -0.143 32.322 32.500 -0.059 0.000 0.726 1109 K HN 0.931 nan 8.250 nan 0.000 0.443 1110 N N 2.083 120.755 118.700 -0.047 0.000 3.034 1110 N HA 0.073 4.812 4.740 -0.001 0.000 0.265 1110 N C -0.021 175.471 175.510 -0.029 0.000 1.166 1110 N CA -0.102 52.926 53.050 -0.037 0.000 1.081 1110 N CB -0.460 38.012 38.487 -0.025 0.000 1.378 1110 N HN 0.127 nan 8.380 nan 0.000 0.520 1111 M N -1.398 118.178 119.600 -0.040 0.000 2.314 1111 M HA 0.411 4.891 4.480 -0.001 0.000 0.342 1111 M C 0.544 176.834 176.300 -0.016 0.000 1.171 1111 M CA -0.640 54.644 55.300 -0.026 0.000 1.098 1111 M CB 1.964 34.540 32.600 -0.040 0.000 1.559 1111 M HN -0.020 nan 8.290 nan 0.000 0.459 1112 K N 0.946 121.345 120.400 -0.001 0.000 2.002 1112 K HA -0.008 4.312 4.320 -0.001 0.000 0.209 1112 K C 0.169 176.770 176.600 0.001 0.000 1.048 1112 K CA 1.540 57.828 56.287 0.003 0.000 0.930 1112 K CB -0.115 32.392 32.500 0.012 0.000 0.714 1112 K HN 0.816 nan 8.250 nan 0.000 0.438 1113 T N 2.929 117.486 114.554 0.005 0.000 3.332 1113 T HA 0.287 4.636 4.350 -0.001 0.000 0.385 1113 T C -2.642 172.055 174.700 -0.006 0.000 1.695 1113 T CA -1.588 60.515 62.100 0.004 0.000 1.397 1113 T CB 1.234 70.112 68.868 0.017 0.000 1.100 1113 T HN -0.071 nan 8.240 nan 0.000 0.669 1114 P HA 0.525 nan 4.420 nan 0.000 0.274 1114 P C -0.325 176.955 177.300 -0.033 0.000 1.237 1114 P CA -0.373 62.704 63.100 -0.039 0.000 0.793 1114 P CB 0.758 32.426 31.700 -0.052 0.000 0.977 1115 S N 1.074 116.744 115.700 -0.050 0.000 2.583 1115 S HA 0.403 4.873 4.470 -0.001 0.000 0.294 1115 S C -1.502 173.052 174.600 -0.077 0.000 1.121 1115 S CA -0.689 57.486 58.200 -0.042 0.000 0.910 1115 S CB 0.027 63.218 63.200 -0.014 0.000 1.102 1115 S HN 0.088 nan 8.310 nan 0.000 0.451 1116 L N 2.877 124.061 121.223 -0.065 0.000 2.431 1116 L HA 0.685 5.024 4.340 -0.001 0.000 0.260 1116 L C 0.501 177.328 176.870 -0.072 0.000 1.098 1116 L CA -0.233 54.558 54.840 -0.081 0.000 0.800 1116 L CB 1.208 43.231 42.059 -0.059 0.000 1.210 1116 L HN 0.824 nan 8.230 nan 0.000 0.465 1117 T N 1.266 115.764 114.554 -0.093 0.000 3.008 1117 T HA 0.448 4.797 4.350 -0.001 0.000 0.328 1117 T C -0.330 174.180 174.700 -0.317 0.000 1.020 1117 T CA -0.484 61.508 62.100 -0.180 0.000 1.043 1117 T CB 1.258 70.045 68.868 -0.134 0.000 1.010 1117 T HN 0.355 nan 8.240 nan 0.000 0.466 1118 V N 1.576 121.317 119.914 -0.289 0.000 2.481 1118 V HA 0.706 4.826 4.120 -0.001 0.000 0.286 1118 V C -1.002 174.895 176.094 -0.329 0.000 1.042 1118 V CA -0.906 61.263 62.300 -0.218 0.000 0.928 1118 V CB 0.297 32.076 31.823 -0.074 0.000 0.986 1118 V HN 0.652 nan 8.190 nan 0.000 0.462 1119 Y N 2.965 123.282 120.300 0.029 0.000 2.446 1119 Y HA 0.683 5.233 4.550 -0.001 0.000 0.338 1119 Y C 0.107 176.034 175.900 0.044 0.000 1.055 1119 Y CA -1.054 57.065 58.100 0.031 0.000 1.101 1119 Y CB 1.742 40.210 38.460 0.012 0.000 1.221 1119 Y HN 0.563 nan 8.280 nan 0.000 0.460 1120 L N 1.701 123.074 121.223 0.249 0.000 2.452 1120 L HA 0.125 4.464 4.340 -0.001 0.000 0.267 1120 L C 0.463 177.422 176.870 0.149 0.000 1.188 1120 L CA -0.066 54.877 54.840 0.171 0.000 0.821 1120 L CB 0.348 42.523 42.059 0.195 0.000 1.102 1120 L HN 0.624 nan 8.230 nan 0.000 0.470 1121 E N 3.981 124.248 120.200 0.112 0.000 2.653 1121 E HA -0.129 4.220 4.350 -0.001 0.000 0.264 1121 E C -1.629 175.052 176.600 0.136 0.000 0.949 1121 E CA -0.734 55.731 56.400 0.109 0.000 0.953 1121 E CB 0.698 30.453 29.700 0.092 0.000 0.925 1121 E HN 0.386 nan 8.360 nan 0.000 0.475 1122 P HA -0.195 nan 4.420 nan 0.000 0.216 1122 P C 1.003 178.346 177.300 0.072 0.000 1.154 1122 P CA 1.732 64.873 63.100 0.067 0.000 0.865 1122 P CB 0.064 31.788 31.700 0.039 0.000 0.789 1123 G N -0.559 108.295 108.800 0.091 0.000 2.484 1123 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.215 1123 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.215 1123 G C 0.535 175.439 174.900 0.006 0.000 1.219 1123 G CA 0.409 45.529 45.100 0.033 0.000 0.791 1123 G HN 0.334 nan 8.290 nan 0.000 0.550 1124 H N 1.291 120.389 119.070 0.047 0.000 3.160 1124 H HA 0.386 4.942 4.556 -0.001 0.000 0.257 1124 H C 0.920 176.304 175.328 0.093 0.000 1.140 1124 H CA 0.173 56.259 56.048 0.063 0.000 1.492 1124 H CB 1.000 30.794 29.762 0.053 0.000 1.529 1124 H HN 0.323 nan 8.280 nan 0.000 0.490 1125 A N 3.357 126.281 122.820 0.173 0.000 2.080 1125 A HA 0.328 4.647 4.320 -0.001 0.000 0.211 1125 A C 1.879 179.623 177.584 0.266 0.000 1.708 1125 A CA 0.569 52.718 52.037 0.186 0.000 0.825 1125 A CB -0.285 18.785 19.000 0.116 0.000 1.261 1125 A HN 0.598 nan 8.150 nan 0.000 0.573 1126 A N -0.372 122.589 122.820 0.234 0.000 2.307 1126 A HA 0.217 4.536 4.320 -0.001 0.000 0.218 1126 A C 0.323 178.129 177.584 0.370 0.000 1.228 1126 A CA 0.141 52.380 52.037 0.336 0.000 0.857 1126 A CB -0.299 18.811 19.000 0.183 0.000 0.897 1126 A HN 0.349 nan 8.150 nan 0.000 0.495 1127 D N 1.136 121.684 120.400 0.247 0.000 2.416 1127 D HA 0.110 4.749 4.640 -0.001 0.000 0.240 1127 D C 1.257 177.555 176.300 -0.004 0.000 1.250 1127 D CA 0.043 54.123 54.000 0.133 0.000 0.967 1127 D CB 0.687 41.574 40.800 0.145 0.000 1.059 1127 D HN 0.601 nan 8.370 nan 0.000 0.512 1128 Q N 1.960 121.667 119.800 -0.155 0.000 2.291 1128 Q HA -0.131 4.209 4.340 -0.001 0.000 0.205 1128 Q C 1.582 177.314 176.000 -0.448 0.000 0.970 1128 Q CA 1.156 56.532 55.803 -0.712 0.000 0.876 1128 Q CB -0.027 28.180 28.738 -0.885 0.000 0.935 1128 Q HN 0.471 nan 8.270 nan 0.000 0.455 1129 E N 0.303 120.374 120.200 -0.214 0.000 2.107 1129 E HA -0.255 4.095 4.350 -0.001 0.000 0.191 1129 E C 2.017 178.545 176.600 -0.120 0.000 0.982 1129 E CA 1.024 57.335 56.400 -0.148 0.000 0.809 1129 E CB 0.103 29.758 29.700 -0.075 0.000 0.756 1129 E HN 0.515 nan 8.360 nan 0.000 0.459 1130 Q N 0.660 120.415 119.800 -0.074 0.000 2.079 1130 Q HA -0.124 4.216 4.340 -0.001 0.000 0.200 1130 Q C 1.846 177.793 176.000 -0.087 0.000 0.974 1130 Q CA 1.908 57.685 55.803 -0.044 0.000 0.840 1130 Q CB -0.373 28.402 28.738 0.061 0.000 0.898 1130 Q HN 0.270 nan 8.270 nan 0.000 0.430 1131 A N 0.879 123.621 122.820 -0.129 0.000 1.873 1131 A HA -0.291 4.028 4.320 -0.001 0.000 0.218 1131 A C 2.039 179.532 177.584 -0.151 0.000 1.193 1131 A CA 2.016 53.971 52.037 -0.136 0.000 0.629 1131 A CB -0.693 18.161 19.000 -0.243 0.000 0.826 1131 A HN 0.467 nan 8.150 nan 0.000 0.447 1132 K N -0.577 119.700 120.400 -0.205 0.000 2.052 1132 K HA -0.199 4.121 4.320 -0.001 0.000 0.215 1132 K C 1.858 178.384 176.600 -0.124 0.000 1.053 1132 K CA 1.872 58.052 56.287 -0.179 0.000 0.934 1132 K CB -0.541 31.854 32.500 -0.176 0.000 0.717 1132 K HN 0.497 nan 8.250 nan 0.000 0.450 1133 L N 0.455 121.617 121.223 -0.102 0.000 2.129 1133 L HA -0.242 4.097 4.340 -0.001 0.000 0.212 1133 L C 2.212 179.040 176.870 -0.069 0.000 1.087 1133 L CA 1.250 56.042 54.840 -0.079 0.000 0.757 1133 L CB -0.378 41.637 42.059 -0.074 0.000 0.896 1133 L HN 0.259 nan 8.230 nan 0.000 0.434 1134 I N -1.386 119.142 120.570 -0.070 0.000 2.703 1134 I HA -0.161 4.009 4.170 -0.001 0.000 0.259 1134 I C 2.638 178.728 176.117 -0.045 0.000 1.151 1134 I CA 0.385 61.654 61.300 -0.051 0.000 1.470 1134 I CB -0.253 37.722 38.000 -0.041 0.000 1.112 1134 I HN 0.114 nan 8.210 nan 0.000 0.437 1135 R N 1.491 121.952 120.500 -0.064 0.000 2.112 1135 R HA -0.226 4.113 4.340 -0.001 0.000 0.242 1135 R C 2.048 178.328 176.300 -0.033 0.000 1.137 1135 R CA 2.298 58.360 56.100 -0.062 0.000 0.944 1135 R CB -0.287 29.931 30.300 -0.136 0.000 0.857 1135 R HN 0.449 nan 8.270 nan 0.000 0.435 1136 S N -1.430 114.244 115.700 -0.043 0.000 2.754 1136 S HA 0.231 4.700 4.470 -0.001 0.000 0.223 1136 S C 0.901 175.487 174.600 -0.022 0.000 0.951 1136 S CA 0.173 58.360 58.200 -0.022 0.000 0.954 1136 S CB 1.097 64.279 63.200 -0.030 0.000 0.780 1136 S HN 0.446 nan 8.310 nan 0.000 0.509 1137 A N 0.505 123.312 122.820 -0.022 0.000 2.508 1137 A HA 0.516 4.836 4.320 -0.001 0.000 0.250 1137 A C 1.296 178.876 177.584 -0.006 0.000 1.208 1137 A CA -0.228 51.798 52.037 -0.019 0.000 0.960 1137 A CB 0.103 19.087 19.000 -0.027 0.000 1.099 1137 A HN 0.495 nan 8.150 nan 0.000 0.542 1138 I N -0.854 119.718 120.570 0.004 0.000 3.812 1138 I HA 0.124 4.294 4.170 -0.001 0.000 0.292 1138 I C 0.877 177.019 176.117 0.041 0.000 1.206 1138 I CA 0.319 61.629 61.300 0.017 0.000 1.370 1138 I CB -1.212 36.794 38.000 0.010 0.000 1.328 1138 I HN 0.407 nan 8.210 nan 0.000 0.453 1139 E N 2.879 123.106 120.200 0.045 0.000 2.383 1139 E HA -0.131 4.219 4.350 -0.001 0.000 0.257 1139 E C -0.052 176.597 176.600 0.082 0.000 1.079 1139 E CA 0.082 56.525 56.400 0.072 0.000 0.934 1139 E CB 0.049 29.799 29.700 0.084 0.000 0.978 1139 E HN 0.177 nan 8.360 nan 0.000 0.462 1140 H N 3.185 122.255 119.070 -0.000 0.000 3.064 1140 H HA 0.021 4.577 4.556 -0.001 0.000 0.329 1140 H C -0.949 174.374 175.328 -0.008 0.000 1.020 1140 H CA 0.868 56.911 56.048 -0.008 0.000 1.402 1140 H CB 0.608 30.364 29.762 -0.011 0.000 1.379 1140 H HN 0.361 nan 8.280 nan 0.000 0.594 1141 T N 5.212 119.508 114.554 -0.429 0.000 3.031 1141 T HA 0.279 4.629 4.350 -0.001 0.000 0.305 1141 T C -0.570 173.903 174.700 -0.378 0.000 0.985 1141 T CA -0.780 61.146 62.100 -0.291 0.000 1.008 1141 T CB 0.815 69.594 68.868 -0.148 0.000 1.005 1141 T HN 0.717 nan 8.240 nan 0.000 0.444 1142 T N 1.056 115.450 114.554 -0.267 0.000 2.927 1142 T HA 0.507 4.857 4.350 -0.001 0.000 0.281 1142 T C 1.166 175.810 174.700 -0.093 0.000 0.998 1142 T CA -0.904 61.093 62.100 -0.171 0.000 1.019 1142 T CB 1.172 69.998 68.868 -0.070 0.000 1.061 1142 T HN 0.202 nan 8.240 nan 0.000 0.518 1143 L N 0.638 121.825 121.223 -0.059 0.000 2.156 1143 L HA 0.148 4.487 4.340 -0.001 0.000 0.208 1143 L C 2.498 179.357 176.870 -0.018 0.000 1.095 1143 L CA 1.627 56.447 54.840 -0.034 0.000 0.770 1143 L CB -1.083 40.969 42.059 -0.011 0.000 0.914 1143 L HN 0.822 nan 8.230 nan 0.000 0.439 1144 K N -0.401 119.992 120.400 -0.011 0.000 2.034 1144 K HA -0.242 4.078 4.320 -0.001 0.000 0.214 1144 K C 1.980 178.575 176.600 -0.009 0.000 1.051 1144 K CA 2.172 58.457 56.287 -0.003 0.000 0.931 1144 K CB -0.241 32.262 32.500 0.004 0.000 0.715 1144 K HN 0.577 nan 8.250 nan 0.000 0.446 1145 S N -0.181 115.507 115.700 -0.019 0.000 2.500 1145 S HA -0.084 4.385 4.470 -0.001 0.000 0.239 1145 S C 1.682 176.267 174.600 -0.024 0.000 0.989 1145 S CA 1.140 59.327 58.200 -0.022 0.000 0.951 1145 S CB -0.184 62.998 63.200 -0.031 0.000 0.759 1145 S HN 0.315 nan 8.310 nan 0.000 0.523 1146 V N -3.064 116.837 119.914 -0.023 0.000 3.548 1146 V HA 0.296 4.415 4.120 -0.001 0.000 0.279 1146 V C 0.371 176.459 176.094 -0.010 0.000 1.446 1146 V CA -0.183 62.105 62.300 -0.021 0.000 1.023 1146 V CB -0.612 31.193 31.823 -0.030 0.000 0.820 1146 V HN 0.264 nan 8.190 nan 0.000 0.438 1147 T N 2.223 116.775 114.554 -0.004 0.000 2.794 1147 T HA 0.542 4.891 4.350 -0.001 0.000 0.296 1147 T C 1.241 175.947 174.700 0.009 0.000 0.949 1147 T CA 0.120 62.224 62.100 0.007 0.000 1.101 1147 T CB 1.793 70.669 68.868 0.013 0.000 0.905 1147 T HN 0.223 nan 8.240 nan 0.000 0.516 1148 I N 1.372 121.950 120.570 0.014 0.000 2.296 1148 I HA 0.209 4.378 4.170 -0.001 0.000 0.242 1148 I C 1.349 177.478 176.117 0.020 0.000 1.087 1148 I CA 0.463 61.772 61.300 0.015 0.000 1.393 1148 I CB -0.097 37.913 38.000 0.017 0.000 1.093 1148 I HN 0.597 nan 8.210 nan 0.000 0.421 1149 A N 0.227 123.065 122.820 0.030 0.000 2.539 1149 A HA 0.690 5.009 4.320 -0.001 0.000 0.296 1149 A C -0.700 176.912 177.584 0.047 0.000 1.073 1149 A CA -0.377 51.682 52.037 0.037 0.000 0.700 1149 A CB 1.456 20.483 19.000 0.046 0.000 1.296 1149 A HN 0.183 nan 8.150 nan 0.000 0.405 1150 S N 0.858 116.585 115.700 0.046 0.000 2.594 1150 S HA 0.744 5.214 4.470 -0.001 0.000 0.296 1150 S C -0.970 173.668 174.600 0.063 0.000 1.124 1150 S CA -0.566 57.668 58.200 0.058 0.000 1.011 1150 S CB 1.258 64.483 63.200 0.042 0.000 1.016 1150 S HN 0.673 nan 8.310 nan 0.000 0.485 1151 E N 1.693 121.957 120.200 0.108 0.000 2.277 1151 E HA 0.604 4.953 4.350 -0.001 0.000 0.266 1151 E C -1.288 175.395 176.600 0.139 0.000 0.901 1151 E CA -0.866 55.596 56.400 0.102 0.000 0.782 1151 E CB 2.019 31.827 29.700 0.181 0.000 1.228 1151 E HN 0.591 nan 8.360 nan 0.000 0.424 1152 I N 2.200 122.802 120.570 0.054 0.000 2.362 1152 I HA 0.275 4.445 4.170 -0.001 0.000 0.289 1152 I C -1.111 175.063 176.117 0.095 0.000 0.994 1152 I CA -0.204 61.175 61.300 0.131 0.000 1.158 1152 I CB 0.571 38.622 38.000 0.085 0.000 1.315 1152 I HN 0.427 nan 8.210 nan 0.000 0.451 1153 Y N 4.520 124.934 120.300 0.190 0.000 2.528 1153 Y HA 0.411 4.960 4.550 -0.001 0.000 0.335 1153 Y C -0.734 175.341 175.900 0.291 0.000 1.093 1153 Y CA -0.637 57.581 58.100 0.197 0.000 1.134 1153 Y CB 1.616 40.141 38.460 0.108 0.000 1.253 1153 Y HN 0.408 nan 8.280 nan 0.000 0.478 1154 Y N 2.140 122.596 120.300 0.260 0.000 2.404 1154 Y HA 0.367 4.917 4.550 -0.001 0.000 0.344 1154 Y C -1.120 174.775 175.900 -0.008 0.000 0.970 1154 Y CA -0.746 57.353 58.100 -0.002 0.000 1.180 1154 Y CB 0.642 38.992 38.460 -0.184 0.000 1.138 1154 Y HN 0.550 nan 8.280 nan 0.000 0.510 1155 D N 8.673 128.775 120.400 -0.497 0.000 2.358 1155 D HA 0.309 4.948 4.640 -0.001 0.000 0.253 1155 D C -2.222 173.753 176.300 -0.542 0.000 1.288 1155 D CA -1.860 51.906 54.000 -0.389 0.000 0.950 1155 D CB 1.722 42.430 40.800 -0.153 0.000 1.197 1155 D HN 0.295 nan 8.370 nan 0.000 0.550 1156 P HA 0.062 nan 4.420 nan 0.000 0.230 1156 P C -0.086 177.056 177.300 -0.263 0.000 1.168 1156 P CA 0.226 63.001 63.100 -0.541 0.000 0.793 1156 P CB 0.457 31.859 31.700 -0.496 0.000 0.851 1157 D N 0.539 120.822 120.400 -0.195 0.000 2.428 1157 D HA 0.185 4.825 4.640 -0.001 0.000 0.221 1157 D C -1.560 174.692 176.300 -0.081 0.000 1.123 1157 D CA -2.359 51.573 54.000 -0.114 0.000 0.869 1157 D CB 0.934 41.680 40.800 -0.089 0.000 1.032 1157 D HN -0.115 nan 8.370 nan 0.000 0.506 1158 P HA -0.180 nan 4.420 nan 0.000 0.217 1158 P C 1.289 178.649 177.300 0.101 0.000 1.148 1158 P CA 0.797 63.910 63.100 0.022 0.000 0.828 1158 P CB 0.249 31.951 31.700 0.004 0.000 0.783 1159 R N -0.033 120.476 120.500 0.015 0.000 2.081 1159 R HA 0.030 4.370 4.340 -0.001 0.000 0.235 1159 R C 0.983 177.190 176.300 -0.155 0.000 1.131 1159 R CA 1.299 57.335 56.100 -0.107 0.000 0.960 1159 R CB -1.086 29.153 30.300 -0.103 0.000 0.856 1159 R HN 0.342 nan 8.270 nan 0.000 0.436 1160 S N -0.554 115.088 115.700 -0.096 0.000 2.547 1160 S HA 0.442 4.912 4.470 -0.001 0.000 0.281 1160 S C -0.481 174.075 174.600 -0.074 0.000 1.118 1160 S CA -0.887 57.257 58.200 -0.092 0.000 0.947 1160 S CB 2.832 65.979 63.200 -0.088 0.000 1.053 1160 S HN -0.079 nan 8.310 nan 0.000 0.482 1161 T N 1.986 116.498 114.554 -0.071 0.000 2.928 1161 T HA 0.368 4.717 4.350 -0.001 0.000 0.284 1161 T C 1.421 176.081 174.700 -0.066 0.000 1.008 1161 T CA -0.645 61.409 62.100 -0.075 0.000 1.057 1161 T CB 1.412 70.229 68.868 -0.084 0.000 1.018 1161 T HN 0.490 nan 8.240 nan 0.000 0.493 1162 V N 2.044 121.923 119.914 -0.059 0.000 2.548 1162 V HA 0.010 4.129 4.120 -0.001 0.000 0.249 1162 V C 0.989 177.063 176.094 -0.034 0.000 1.055 1162 V CA 1.204 63.489 62.300 -0.025 0.000 1.065 1162 V CB -0.476 31.360 31.823 0.023 0.000 0.681 1162 V HN 0.688 nan 8.190 nan 0.000 0.462 1163 I N 2.532 123.051 120.570 -0.086 0.000 2.452 1163 I HA 0.110 4.280 4.170 -0.001 0.000 0.287 1163 I C -0.827 175.248 176.117 -0.070 0.000 1.079 1163 I CA -1.260 59.982 61.300 -0.098 0.000 1.387 1163 I CB 0.667 38.534 38.000 -0.222 0.000 1.404 1163 I HN 0.102 nan 8.210 nan 0.000 0.522 1164 P HA -0.113 nan 4.420 nan 0.000 0.221 1164 P C 0.935 178.215 177.300 -0.033 0.000 1.150 1164 P CA 1.200 64.281 63.100 -0.031 0.000 0.800 1164 P CB 0.259 31.949 31.700 -0.016 0.000 0.787 1165 E N 0.243 120.422 120.200 -0.036 0.000 2.153 1165 E HA -0.136 4.213 4.350 -0.001 0.000 0.194 1165 E C 0.424 177.003 176.600 -0.035 0.000 0.988 1165 E CA 0.891 57.273 56.400 -0.030 0.000 0.811 1165 E CB -0.437 29.247 29.700 -0.026 0.000 0.746 1165 E HN 0.276 nan 8.360 nan 0.000 0.466 1166 D N 0.380 120.747 120.400 -0.054 0.000 2.676 1166 D HA 0.019 4.658 4.640 -0.001 0.000 0.239 1166 D C 0.790 177.063 176.300 -0.045 0.000 1.213 1166 D CA 0.192 54.161 54.000 -0.052 0.000 0.835 1166 D CB 0.120 40.873 40.800 -0.077 0.000 1.009 1166 D HN 0.214 nan 8.370 nan 0.000 0.479 1167 E N 0.497 120.674 120.200 -0.039 0.000 2.014 1167 E HA -0.127 4.222 4.350 -0.001 0.000 0.190 1167 E C 1.634 178.213 176.600 -0.034 0.000 0.980 1167 E CA 0.390 56.765 56.400 -0.041 0.000 0.807 1167 E CB 0.292 29.971 29.700 -0.036 0.000 0.770 1167 E HN 0.223 nan 8.360 nan 0.000 0.451 1168 E N 0.199 120.385 120.200 -0.022 0.000 2.070 1168 E HA -0.237 4.112 4.350 -0.001 0.000 0.197 1168 E C 2.039 178.636 176.600 -0.005 0.000 1.004 1168 E CA 1.457 57.849 56.400 -0.012 0.000 0.805 1168 E CB -0.071 29.627 29.700 -0.004 0.000 0.744 1168 E HN 0.218 nan 8.360 nan 0.000 0.451 1169 I N 1.008 121.576 120.570 -0.004 0.000 2.361 1169 I HA -0.279 3.890 4.170 -0.001 0.000 0.251 1169 I C 2.170 178.298 176.117 0.018 0.000 1.133 1169 I CA 0.708 62.009 61.300 0.001 0.000 1.413 1169 I CB -0.208 37.788 38.000 -0.006 0.000 1.073 1169 I HN 0.254 nan 8.210 nan 0.000 0.424 1170 I N 0.198 120.778 120.570 0.018 0.000 2.252 1170 I HA -0.264 3.906 4.170 -0.001 0.000 0.245 1170 I C 2.474 178.631 176.117 0.068 0.000 1.102 1170 I CA 1.512 62.847 61.300 0.058 0.000 1.385 1170 I CB -1.101 36.882 38.000 -0.029 0.000 1.064 1170 I HN 0.412 nan 8.210 nan 0.000 0.414 1171 Q N 0.615 120.413 119.800 -0.005 0.000 2.096 1171 Q HA -0.154 4.185 4.340 -0.001 0.000 0.204 1171 Q C 0.558 176.606 176.000 0.081 0.000 0.982 1171 Q CA 1.103 56.899 55.803 -0.012 0.000 0.850 1171 Q CB -0.290 28.432 28.738 -0.027 0.000 0.901 1171 Q HN 0.418 nan 8.270 nan 0.000 0.422 1172 L N -0.304 120.972 121.223 0.087 0.000 2.466 1172 L HA 0.277 4.617 4.340 -0.001 0.000 0.248 1172 L C 0.190 177.145 176.870 0.141 0.000 1.240 1172 L CA 0.327 55.218 54.840 0.085 0.000 1.180 1172 L CB 0.094 42.179 42.059 0.043 0.000 1.413 1172 L HN 0.152 nan 8.230 nan 0.000 0.406 1173 H N 0.003 119.125 119.070 0.087 0.000 1.975 1173 H HA 0.213 4.769 4.556 -0.001 0.000 0.133 1173 H C 0.142 175.502 175.328 0.053 0.000 0.926 1173 H CA -0.581 55.470 56.048 0.004 0.000 0.597 1173 H CB -0.224 29.488 29.762 -0.084 0.000 0.530 1173 H HN 0.158 nan 8.280 nan 0.000 0.320 1174 F N 2.590 122.481 119.950 -0.097 0.000 2.629 1174 F HA 0.275 4.801 4.527 -0.001 0.000 0.369 1174 F C 1.276 176.984 175.800 -0.154 0.000 1.125 1174 F CA 1.607 59.536 58.000 -0.119 0.000 1.330 1174 F CB 0.698 39.694 39.000 -0.008 0.000 1.071 1174 F HN 0.433 nan 8.300 nan 0.000 0.595 1175 S N 3.128 118.793 115.700 -0.057 0.000 3.070 1175 S HA 0.723 5.193 4.470 -0.001 0.000 0.320 1175 S C -0.917 173.579 174.600 -0.174 0.000 1.215 1175 S CA -1.111 56.999 58.200 -0.150 0.000 0.956 1175 S CB 0.889 64.187 63.200 0.163 0.000 1.337 1175 S HN 0.442 nan 8.310 nan 0.000 0.639 1188 Q N 1.059 120.775 119.800 -0.141 0.000 2.259 1188 Q HA 0.471 4.810 4.340 -0.001 0.000 0.246 1188 Q C -0.172 175.779 176.000 -0.081 0.000 0.920 1188 Q CA -0.056 55.658 55.803 -0.148 0.000 0.895 1188 Q CB 1.722 30.304 28.738 -0.261 0.000 1.220 1188 Q HN 0.010 nan 8.270 nan 0.000 0.439 1189 S N 1.754 117.437 115.700 -0.029 0.000 2.585 1189 S HA 0.134 4.604 4.470 -0.001 0.000 0.273 1189 S C -1.568 173.000 174.600 -0.053 0.000 1.339 1189 S CA -1.330 56.883 58.200 0.022 0.000 1.028 1189 S CB 0.455 63.730 63.200 0.126 0.000 0.906 1189 S HN 0.484 nan 8.310 nan 0.000 0.528 1190 P HA 0.081 nan 4.420 nan 0.000 0.231 1190 P C -0.548 176.489 177.300 -0.438 0.000 1.168 1190 P CA 0.412 63.272 63.100 -0.400 0.000 0.779 1190 P CB -0.016 31.357 31.700 -0.546 0.000 0.844 1191 W N 1.150 122.435 121.300 -0.025 0.000 2.358 1191 W HA 0.409 5.068 4.660 -0.001 0.000 0.307 1191 W C 0.192 176.723 176.519 0.021 0.000 1.203 1191 W CA -0.852 56.514 57.345 0.035 0.000 1.279 1191 W CB 0.407 29.916 29.460 0.080 0.000 1.264 1191 W HN -0.157 nan 8.180 nan 0.000 0.474 1192 L N 6.052 127.432 121.223 0.262 0.000 2.275 1192 L HA 0.521 4.860 4.340 -0.001 0.000 0.288 1192 L C -0.831 176.166 176.870 0.211 0.000 1.046 1192 L CA -0.829 54.119 54.840 0.181 0.000 0.805 1192 L CB 0.576 42.708 42.059 0.123 0.000 1.193 1192 L HN 0.358 nan 8.230 nan 0.000 0.426 1193 L N 6.132 127.440 121.223 0.142 0.000 2.265 1193 L HA 0.560 4.899 4.340 -0.001 0.000 0.289 1193 L C -0.644 176.292 176.870 0.110 0.000 1.033 1193 L CA -0.021 54.891 54.840 0.119 0.000 0.814 1193 L CB 0.780 42.874 42.059 0.058 0.000 1.203 1193 L HN 0.786 nan 8.230 nan 0.000 0.423 1194 R N 5.753 126.339 120.500 0.143 0.000 2.439 1194 R HA 0.664 5.003 4.340 -0.001 0.000 0.310 1194 R C -1.760 174.606 176.300 0.109 0.000 0.955 1194 R CA -0.609 55.562 56.100 0.117 0.000 0.853 1194 R CB 0.932 31.304 30.300 0.119 0.000 1.171 1194 R HN 0.774 nan 8.270 nan 0.000 0.449 1195 L N 2.689 123.960 121.223 0.079 0.000 2.325 1195 L HA 0.534 4.873 4.340 -0.001 0.000 0.278 1195 L C -0.118 176.786 176.870 0.058 0.000 1.023 1195 L CA -0.736 54.145 54.840 0.068 0.000 0.811 1195 L CB 1.941 44.035 42.059 0.058 0.000 1.249 1195 L HN 0.609 nan 8.230 nan 0.000 0.431 1196 E N 2.516 122.747 120.200 0.052 0.000 2.199 1196 E HA 0.648 4.997 4.350 -0.001 0.000 0.269 1196 E C -1.538 175.080 176.600 0.029 0.000 0.899 1196 E CA -0.606 55.819 56.400 0.042 0.000 0.772 1196 E CB 1.763 31.490 29.700 0.045 0.000 1.155 1196 E HN 0.446 nan 8.360 nan 0.000 0.408 1197 L N 2.259 123.496 121.223 0.022 0.000 2.303 1197 L HA 0.436 4.775 4.340 -0.001 0.000 0.266 1197 L C -0.463 176.411 176.870 0.007 0.000 1.011 1197 L CA -1.111 53.736 54.840 0.011 0.000 0.818 1197 L CB 1.711 43.772 42.059 0.004 0.000 1.326 1197 L HN 0.531 nan 8.230 nan 0.000 0.435 1198 D N -0.062 120.338 120.400 0.000 0.000 2.274 1198 D HA 0.217 4.857 4.640 -0.001 0.000 0.239 1198 D C 0.775 177.073 176.300 -0.005 0.000 1.104 1198 D CA -0.377 53.622 54.000 -0.002 0.000 0.840 1198 D CB 1.560 42.357 40.800 -0.005 0.000 1.100 1198 D HN 0.335 nan 8.370 nan 0.000 0.477 1199 R N 3.358 123.857 120.500 -0.002 0.000 2.096 1199 R HA -0.160 4.180 4.340 -0.001 0.000 0.240 1199 R C 1.847 178.144 176.300 -0.006 0.000 1.139 1199 R CA 2.185 58.283 56.100 -0.003 0.000 0.952 1199 R CB -0.428 29.872 30.300 0.000 0.000 0.854 1199 R HN 0.540 nan 8.270 nan 0.000 0.436 1200 A N -0.062 122.754 122.820 -0.007 0.000 1.877 1200 A HA -0.065 4.254 4.320 -0.001 0.000 0.216 1200 A C 2.251 179.828 177.584 -0.012 0.000 1.186 1200 A CA 1.775 53.807 52.037 -0.009 0.000 0.620 1200 A CB -0.976 18.018 19.000 -0.010 0.000 0.822 1200 A HN 0.489 nan 8.150 nan 0.000 0.443 1201 A N -1.490 121.321 122.820 -0.015 0.000 2.206 1201 A HA 0.159 4.478 4.320 -0.001 0.000 0.211 1201 A C 1.740 179.312 177.584 -0.020 0.000 1.158 1201 A CA 1.049 53.074 52.037 -0.020 0.000 0.761 1201 A CB -0.341 18.645 19.000 -0.022 0.000 0.801 1201 A HN 0.413 nan 8.150 nan 0.000 0.473 1202 M N -0.290 119.300 119.600 -0.017 0.000 2.561 1202 M HA 0.096 4.576 4.480 -0.001 0.000 0.238 1202 M C 0.627 176.919 176.300 -0.014 0.000 1.131 1202 M CA 0.576 55.864 55.300 -0.020 0.000 1.046 1202 M CB -0.913 31.674 32.600 -0.021 0.000 1.532 1202 M HN 0.358 nan 8.290 nan 0.000 0.497 1203 N N 0.522 119.217 118.700 -0.008 0.000 2.499 1203 N HA -0.064 4.675 4.740 -0.001 0.000 0.182 1203 N C 1.286 176.804 175.510 0.013 0.000 1.034 1203 N CA 0.753 53.802 53.050 -0.001 0.000 0.882 1203 N CB -0.185 38.302 38.487 0.000 0.000 1.125 1203 N HN 0.193 nan 8.380 nan 0.000 0.436 1204 D N 0.344 120.753 120.400 0.015 0.000 2.182 1204 D HA -0.068 4.572 4.640 -0.001 0.000 0.201 1204 D C -0.277 176.068 176.300 0.074 0.000 0.986 1204 D CA 1.283 55.308 54.000 0.041 0.000 0.847 1204 D CB 0.251 41.043 40.800 -0.015 0.000 0.942 1204 D HN 0.149 nan 8.370 nan 0.000 0.467 1205 K N 0.354 120.772 120.400 0.030 0.000 2.207 1205 K HA 0.221 4.541 4.320 -0.001 0.000 0.255 1205 K C -1.077 175.522 176.600 -0.001 0.000 0.941 1205 K CA -0.728 55.573 56.287 0.025 0.000 0.825 1205 K CB 1.622 34.123 32.500 0.000 0.000 1.119 1205 K HN -0.077 nan 8.250 nan 0.000 0.430 1206 D N 3.633 124.028 120.400 -0.009 0.000 2.498 1206 D HA 0.073 4.712 4.640 -0.001 0.000 0.229 1206 D C -0.626 175.652 176.300 -0.037 0.000 1.188 1206 D CA 0.469 54.455 54.000 -0.024 0.000 1.028 1206 D CB 0.098 40.880 40.800 -0.030 0.000 1.087 1206 D HN 0.194 nan 8.370 nan 0.000 0.510 1207 L N 1.586 122.785 121.223 -0.040 0.000 2.381 1207 L HA 0.291 4.630 4.340 -0.001 0.000 0.274 1207 L C 0.292 177.123 176.870 -0.064 0.000 0.988 1207 L CA -0.571 54.234 54.840 -0.057 0.000 0.824 1207 L CB 2.153 44.176 42.059 -0.059 0.000 1.263 1207 L HN 0.111 nan 8.230 nan 0.000 0.410 1208 T N -0.332 114.171 114.554 -0.085 0.000 2.855 1208 T HA 0.318 4.667 4.350 -0.001 0.000 0.281 1208 T C 1.244 175.853 174.700 -0.152 0.000 1.007 1208 T CA -0.917 61.126 62.100 -0.096 0.000 1.009 1208 T CB 1.858 70.672 68.868 -0.090 0.000 0.983 1208 T HN 0.373 nan 8.240 nan 0.000 0.455 1209 M N 2.193 121.703 119.600 -0.150 0.000 2.088 1209 M HA -0.099 4.380 4.480 -0.001 0.000 0.256 1209 M C 2.604 178.604 176.300 -0.499 0.000 1.071 1209 M CA 2.437 57.598 55.300 -0.232 0.000 1.097 1209 M CB -1.866 30.660 32.600 -0.124 0.000 1.315 1209 M HN 1.000 nan 8.290 nan 0.000 0.406 1210 G N -0.794 107.700 108.800 -0.510 0.000 2.476 1210 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.218 1210 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.218 1210 G C 1.480 176.024 174.900 -0.592 0.000 1.164 1210 G CA 1.142 45.817 45.100 -0.709 0.000 0.768 1210 G HN 0.581 nan 8.290 nan 0.000 0.560 1211 Q N -0.358 119.236 119.800 -0.342 0.000 2.124 1211 Q HA -0.081 4.258 4.340 -0.001 0.000 0.202 1211 Q C 2.829 178.674 176.000 -0.258 0.000 0.977 1211 Q CA 1.400 57.056 55.803 -0.245 0.000 0.850 1211 Q CB -0.103 28.540 28.738 -0.159 0.000 0.901 1211 Q HN 0.397 nan 8.270 nan 0.000 0.429 1212 V N -0.137 119.608 119.914 -0.280 0.000 2.237 1212 V HA -0.218 3.901 4.120 -0.001 0.000 0.245 1212 V C 2.290 178.220 176.094 -0.274 0.000 1.046 1212 V CA 1.976 64.141 62.300 -0.225 0.000 1.007 1212 V CB -1.312 30.402 31.823 -0.181 0.000 0.638 1212 V HN 0.591 nan 8.190 nan 0.000 0.445 1213 G N -0.545 107.947 108.800 -0.513 0.000 2.440 1213 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.218 1213 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.218 1213 G C 1.485 176.155 174.900 -0.384 0.000 1.154 1213 G CA 0.756 45.498 45.100 -0.597 0.000 0.767 1213 G HN 0.490 nan 8.290 nan 0.000 0.552 1214 E N -0.065 119.869 120.200 -0.443 0.000 2.285 1214 E HA -0.014 4.335 4.350 -0.001 0.000 0.194 1214 E C 2.606 179.158 176.600 -0.081 0.000 0.997 1214 E CA 0.316 56.610 56.400 -0.176 0.000 0.845 1214 E CB 0.017 29.620 29.700 -0.162 0.000 0.782 1214 E HN 0.227 nan 8.360 nan 0.000 0.491 1215 R N 0.835 121.271 120.500 -0.106 0.000 2.093 1215 R HA 0.058 4.397 4.340 -0.001 0.000 0.224 1215 R C 2.213 178.495 176.300 -0.030 0.000 1.101 1215 R CA 0.616 56.675 56.100 -0.068 0.000 0.979 1215 R CB -0.374 29.876 30.300 -0.085 0.000 0.877 1215 R HN 0.128 nan 8.270 nan 0.000 0.441 1216 I N 0.162 120.736 120.570 0.006 0.000 2.179 1216 I HA -0.275 3.895 4.170 -0.001 0.000 0.242 1216 I C 2.270 178.489 176.117 0.171 0.000 1.088 1216 I CA 1.377 62.742 61.300 0.109 0.000 1.357 1216 I CB -0.325 37.767 38.000 0.155 0.000 1.051 1216 I HN 0.135 nan 8.210 nan 0.000 0.409 1217 K N 0.652 121.138 120.400 0.142 0.000 2.152 1217 K HA -0.211 4.109 4.320 -0.001 0.000 0.206 1217 K C 2.122 178.789 176.600 0.111 0.000 1.048 1217 K CA 1.368 57.747 56.287 0.154 0.000 0.933 1217 K CB 0.020 32.615 32.500 0.158 0.000 0.721 1217 K HN 0.374 nan 8.250 nan 0.000 0.447 1218 Q N -1.041 118.791 119.800 0.052 0.000 2.389 1218 Q HA -0.040 4.300 4.340 -0.001 0.000 0.204 1218 Q C 1.317 177.300 176.000 -0.028 0.000 0.944 1218 Q CA 1.192 57.003 55.803 0.014 0.000 0.908 1218 Q CB 0.536 29.268 28.738 -0.011 0.000 1.002 1218 Q HN 0.337 nan 8.270 nan 0.000 0.493 1219 T N -0.635 113.869 114.554 -0.083 0.000 2.939 1219 T HA 0.023 4.372 4.350 -0.001 0.000 0.254 1219 T C 1.089 175.594 174.700 -0.325 0.000 1.041 1219 T CA 0.639 62.578 62.100 -0.268 0.000 1.142 1219 T CB -0.078 68.499 68.868 -0.485 0.000 0.874 1219 T HN 0.151 nan 8.240 nan 0.000 0.452 1220 F N 1.023 120.986 119.950 0.021 0.000 2.569 1220 F HA 0.390 4.916 4.527 -0.001 0.000 0.295 1220 F C 1.544 177.362 175.800 0.029 0.000 1.115 1220 F CA -0.191 57.825 58.000 0.026 0.000 1.450 1220 F CB -0.243 38.776 39.000 0.033 0.000 1.107 1220 F HN 0.034 nan 8.300 nan 0.000 0.563 1221 K N 0.352 120.857 120.400 0.174 0.000 2.679 1221 K HA -0.364 3.955 4.320 -0.001 0.000 0.152 1221 K C -0.408 176.269 176.600 0.129 0.000 1.072 1221 K CA 1.914 58.271 56.287 0.117 0.000 0.373 1221 K CB -1.444 31.101 32.500 0.075 0.000 0.710 1221 K HN 0.279 nan 8.250 nan 0.000 0.730 1222 N N 1.984 120.748 118.700 0.106 0.000 3.324 1222 N HA 0.112 4.852 4.740 -0.001 0.000 0.302 1222 N C -0.938 174.628 175.510 0.094 0.000 1.360 1222 N CA 0.487 53.593 53.050 0.093 0.000 1.190 1222 N CB 0.502 39.031 38.487 0.070 0.000 1.462 1222 N HN 0.419 nan 8.380 nan 0.000 0.532 1223 D N -0.245 120.221 120.400 0.110 0.000 2.936 1223 D HA 0.042 4.681 4.640 -0.001 0.000 0.297 1223 D C -0.693 175.643 176.300 0.059 0.000 1.677 1223 D CA -0.228 53.822 54.000 0.083 0.000 0.821 1223 D CB -0.597 40.250 40.800 0.078 0.000 1.358 1223 D HN 0.076 nan 8.370 nan 0.000 0.448 1224 L N 1.133 122.408 121.223 0.086 0.000 2.541 1224 L HA 0.503 4.843 4.340 -0.001 0.000 0.266 1224 L C -1.773 175.164 176.870 0.112 0.000 0.966 1224 L CA -0.736 54.135 54.840 0.052 0.000 0.871 1224 L CB 2.037 44.074 42.059 -0.036 0.000 1.232 1224 L HN -0.012 nan 8.230 nan 0.000 0.408 1225 F N 5.956 125.884 119.950 -0.036 0.000 2.413 1225 F HA 0.634 5.160 4.527 -0.001 0.000 0.359 1225 F C -0.606 175.143 175.800 -0.084 0.000 1.122 1225 F CA -0.276 57.687 58.000 -0.063 0.000 1.160 1225 F CB 0.724 39.675 39.000 -0.081 0.000 1.146 1225 F HN 0.142 nan 8.300 nan 0.000 0.514 1226 V N 7.816 127.405 119.914 -0.543 0.000 2.495 1226 V HA 0.516 4.635 4.120 -0.001 0.000 0.298 1226 V C -0.143 175.538 176.094 -0.687 0.000 1.031 1226 V CA -0.814 61.273 62.300 -0.355 0.000 0.871 1226 V CB 1.711 33.535 31.823 0.001 0.000 0.988 1226 V HN 0.567 nan 8.190 nan 0.000 0.432 1227 I N 3.919 124.200 120.570 -0.482 0.000 2.647 1227 I HA 0.712 4.882 4.170 -0.001 0.000 0.295 1227 I C -0.996 174.983 176.117 -0.231 0.000 1.078 1227 I CA -0.389 60.531 61.300 -0.634 0.000 1.048 1227 I CB 2.133 39.861 38.000 -0.453 0.000 1.239 1227 I HN 0.828 nan 8.210 nan 0.000 0.421 1228 W N 2.540 123.773 121.300 -0.112 0.000 3.031 1228 W HA 0.811 5.471 4.660 -0.001 0.000 0.337 1228 W C -0.738 175.759 176.519 -0.036 0.000 1.187 1228 W CA -0.942 56.366 57.345 -0.061 0.000 1.166 1228 W CB 0.088 29.515 29.460 -0.054 0.000 1.437 1228 W HN 0.295 nan 8.180 nan 0.000 0.551 1229 S N 0.395 116.238 115.700 0.238 0.000 2.633 1229 S HA 0.167 4.637 4.470 -0.001 0.000 0.257 1229 S C -0.401 174.337 174.600 0.230 0.000 1.265 1229 S CA -0.560 57.734 58.200 0.156 0.000 0.980 1229 S CB 0.617 63.875 63.200 0.097 0.000 1.017 1229 S HN 0.585 nan 8.310 nan 0.000 0.577 1230 E N -0.617 119.668 120.200 0.142 0.000 2.222 1230 E HA 0.192 4.542 4.350 -0.001 0.000 0.272 1230 E C -0.294 176.354 176.600 0.080 0.000 0.982 1230 E CA -0.502 55.976 56.400 0.131 0.000 0.842 1230 E CB 0.899 30.658 29.700 0.097 0.000 1.144 1230 E HN 0.482 nan 8.360 nan 0.000 0.397 1231 D N 0.950 121.386 120.400 0.059 0.000 2.144 1231 D HA -0.181 4.458 4.640 -0.001 0.000 0.199 1231 D C 1.292 177.606 176.300 0.022 0.000 0.984 1231 D CA 1.052 55.068 54.000 0.028 0.000 0.834 1231 D CB 0.029 40.834 40.800 0.009 0.000 0.955 1231 D HN 0.426 nan 8.370 nan 0.000 0.465 1232 N N 0.885 119.601 118.700 0.026 0.000 2.515 1232 N HA -0.088 4.652 4.740 -0.001 0.000 0.185 1232 N C -0.283 175.239 175.510 0.020 0.000 1.109 1232 N CA 0.362 53.424 53.050 0.019 0.000 0.903 1232 N CB -0.240 38.258 38.487 0.018 0.000 0.969 1232 N HN 0.040 nan 8.380 nan 0.000 0.450 1233 D N 0.920 121.336 120.400 0.027 0.000 2.361 1233 D HA 0.006 4.646 4.640 -0.001 0.000 0.239 1233 D C 1.077 177.388 176.300 0.019 0.000 1.200 1233 D CA -0.092 53.923 54.000 0.025 0.000 0.915 1233 D CB 1.060 41.880 40.800 0.033 0.000 1.170 1233 D HN 0.204 nan 8.370 nan 0.000 0.444 1234 E N 0.062 120.272 120.200 0.016 0.000 2.076 1234 E HA -0.068 4.282 4.350 -0.001 0.000 0.190 1234 E C 0.095 176.703 176.600 0.014 0.000 0.979 1234 E CA 0.706 57.113 56.400 0.013 0.000 0.807 1234 E CB 0.342 30.048 29.700 0.010 0.000 0.761 1234 E HN 0.171 nan 8.360 nan 0.000 0.454 1235 K N 0.715 121.125 120.400 0.016 0.000 2.292 1235 K HA 0.337 4.656 4.320 -0.001 0.000 0.257 1235 K C -1.185 175.430 176.600 0.025 0.000 0.940 1235 K CA -0.462 55.836 56.287 0.018 0.000 0.811 1235 K CB 1.160 33.669 32.500 0.015 0.000 1.120 1235 K HN 0.026 nan 8.250 nan 0.000 0.428 1236 L N 6.570 127.809 121.223 0.027 0.000 2.272 1236 L HA 0.452 4.792 4.340 -0.001 0.000 0.284 1236 L C -0.534 176.361 176.870 0.042 0.000 1.045 1236 L CA -0.562 54.299 54.840 0.036 0.000 0.842 1236 L CB 0.342 42.416 42.059 0.024 0.000 1.224 1236 L HN 0.488 nan 8.230 nan 0.000 0.430 1237 I N 3.859 124.462 120.570 0.056 0.000 2.569 1237 I HA 0.485 4.654 4.170 -0.001 0.000 0.296 1237 I C -0.341 175.828 176.117 0.086 0.000 1.028 1237 I CA -0.572 60.761 61.300 0.055 0.000 1.082 1237 I CB 2.657 40.675 38.000 0.029 0.000 1.264 1237 I HN 0.329 nan 8.210 nan 0.000 0.429 1238 I N 4.910 125.530 120.570 0.084 0.000 2.474 1238 I HA 0.511 4.681 4.170 -0.001 0.000 0.294 1238 I C -0.330 175.830 176.117 0.072 0.000 1.005 1238 I CA -0.678 60.689 61.300 0.112 0.000 1.113 1238 I CB 1.742 39.809 38.000 0.112 0.000 1.289 1238 I HN 0.550 nan 8.210 nan 0.000 0.436 1239 R N 4.117 124.648 120.500 0.050 0.000 2.534 1239 R HA 0.701 5.040 4.340 -0.001 0.000 0.301 1239 R C -1.450 174.868 176.300 0.030 0.000 0.961 1239 R CA -0.449 55.669 56.100 0.030 0.000 0.871 1239 R CB 2.154 32.456 30.300 0.004 0.000 1.170 1239 R HN 0.591 nan 8.270 nan 0.000 0.446 1240 C N 2.228 121.559 119.300 0.051 0.000 2.482 1240 C HA 0.576 5.035 4.460 -0.001 0.000 0.317 1240 C C -0.169 174.864 174.990 0.073 0.000 1.197 1240 C CA -0.906 58.141 59.018 0.048 0.000 1.432 1240 C CB 1.532 29.280 27.740 0.013 0.000 2.062 1240 C HN 0.813 nan 8.230 nan 0.000 0.471 1241 R N 1.380 121.942 120.500 0.104 0.000 2.807 1241 R HA 0.756 5.096 4.340 -0.001 0.000 0.276 1241 R C -1.333 175.008 176.300 0.068 0.000 0.979 1241 R CA -0.698 55.459 56.100 0.095 0.000 0.928 1241 R CB 1.905 32.261 30.300 0.093 0.000 1.191 1241 R HN 0.514 nan 8.270 nan 0.000 0.471 1242 V N 2.421 122.365 119.914 0.050 0.000 2.498 1242 V HA 0.247 4.367 4.120 -0.001 0.000 0.279 1242 V C 0.438 176.552 176.094 0.033 0.000 1.048 1242 V CA -0.468 61.848 62.300 0.026 0.000 0.967 1242 V CB 1.317 33.156 31.823 0.026 0.000 0.988 1242 V HN 0.440 nan 8.190 nan 0.000 0.473 1255 E N 1.141 121.366 120.200 0.042 0.000 5.642 1255 E HA -0.146 4.204 4.350 -0.001 0.000 0.186 1255 E C -0.088 176.521 176.600 0.015 0.000 1.588 1255 E CA 1.204 57.616 56.400 0.021 0.000 1.263 1255 E CB -0.358 29.339 29.700 -0.005 0.000 1.005 1255 E HN 0.777 nan 8.360 nan 0.000 0.322 1256 E N 2.429 122.625 120.200 -0.008 0.000 2.641 1256 E HA 0.021 4.371 4.350 -0.001 0.000 0.224 1256 E C 0.087 176.572 176.600 -0.192 0.000 0.951 1256 E CA -0.011 56.365 56.400 -0.039 0.000 1.102 1256 E CB 0.345 30.067 29.700 0.037 0.000 1.091 1256 E HN 0.392 nan 8.360 nan 0.000 0.507 1257 D N -0.074 120.140 120.400 -0.310 0.000 2.234 1257 D HA -0.106 4.533 4.640 -0.001 0.000 0.205 1257 D C 1.520 177.686 176.300 -0.223 0.000 0.962 1257 D CA 0.951 54.663 54.000 -0.480 0.000 0.855 1257 D CB 0.026 40.468 40.800 -0.597 0.000 0.951 1257 D HN 0.171 nan 8.370 nan 0.000 0.500 1258 H N -0.631 118.326 119.070 -0.189 0.000 2.535 1258 H HA 0.241 4.796 4.556 -0.001 0.000 0.273 1258 H C 1.483 176.756 175.328 -0.092 0.000 0.983 1258 H CA 0.750 56.727 56.048 -0.119 0.000 1.238 1258 H CB 0.188 29.900 29.762 -0.083 0.000 1.412 1258 H HN -0.013 nan 8.280 nan 0.000 0.562 1259 M N -0.326 119.244 119.600 -0.050 0.000 2.371 1259 M HA 0.074 4.554 4.480 -0.001 0.000 0.246 1259 M C 0.549 176.796 176.300 -0.089 0.000 1.103 1259 M CA 0.127 55.391 55.300 -0.059 0.000 1.010 1259 M CB 0.440 33.037 32.600 -0.005 0.000 1.457 1259 M HN 0.323 nan 8.290 nan 0.000 0.486 1260 L N -0.160 120.987 121.223 -0.127 0.000 2.477 1260 L HA 0.075 4.414 4.340 -0.001 0.000 0.220 1260 L C 1.796 178.602 176.870 -0.107 0.000 1.106 1260 L CA 1.142 55.916 54.840 -0.110 0.000 0.851 1260 L CB -0.111 41.883 42.059 -0.108 0.000 0.994 1260 L HN 0.055 nan 8.230 nan 0.000 0.462 1261 K N -0.692 119.623 120.400 -0.142 0.000 2.228 1261 K HA -0.063 4.257 4.320 -0.001 0.000 0.202 1261 K C 1.849 178.387 176.600 -0.103 0.000 1.051 1261 K CA 0.736 56.944 56.287 -0.131 0.000 0.960 1261 K CB 0.164 32.550 32.500 -0.190 0.000 0.743 1261 K HN 0.260 nan 8.250 nan 0.000 0.458 1262 K N 0.727 121.063 120.400 -0.108 0.000 2.097 1262 K HA -0.082 4.237 4.320 -0.001 0.000 0.206 1262 K C 2.007 178.612 176.600 0.008 0.000 1.049 1262 K CA 1.128 57.384 56.287 -0.053 0.000 0.933 1262 K CB -0.087 32.389 32.500 -0.039 0.000 0.717 1262 K HN 0.093 nan 8.250 nan 0.000 0.442 1263 I N 1.210 121.774 120.570 -0.009 0.000 2.142 1263 I HA -0.291 3.879 4.170 -0.001 0.000 0.240 1263 I C 2.593 178.743 176.117 0.054 0.000 1.078 1263 I CA 1.409 62.720 61.300 0.018 0.000 1.343 1263 I CB -0.361 37.536 38.000 -0.172 0.000 1.046 1263 I HN 0.203 nan 8.210 nan 0.000 0.405 1264 E N 1.763 121.966 120.200 0.005 0.000 2.114 1264 E HA -0.328 4.022 4.350 -0.001 0.000 0.199 1264 E C 1.791 178.408 176.600 0.027 0.000 1.008 1264 E CA 2.253 58.662 56.400 0.015 0.000 0.810 1264 E CB -0.357 29.337 29.700 -0.010 0.000 0.739 1264 E HN 0.396 nan 8.360 nan 0.000 0.456 1265 N N -1.113 117.597 118.700 0.017 0.000 2.216 1265 N HA -0.066 4.674 4.740 -0.001 0.000 0.183 1265 N C 1.491 177.029 175.510 0.046 0.000 1.017 1265 N CA 1.846 54.908 53.050 0.020 0.000 0.861 1265 N CB -0.389 38.098 38.487 -0.000 0.000 0.986 1265 N HN 0.234 nan 8.380 nan 0.000 0.428 1266 T N 0.337 114.940 114.554 0.082 0.000 2.812 1266 T HA 0.013 4.362 4.350 -0.001 0.000 0.264 1266 T C 1.840 176.604 174.700 0.107 0.000 1.042 1266 T CA 0.793 62.954 62.100 0.102 0.000 1.140 1266 T CB -0.105 68.864 68.868 0.168 0.000 0.870 1266 T HN 0.236 nan 8.240 nan 0.000 0.445 1267 M N 0.550 120.244 119.600 0.156 0.000 2.279 1267 M HA 0.023 4.503 4.480 -0.001 0.000 0.264 1267 M C 1.769 178.110 176.300 0.068 0.000 1.062 1267 M CA 1.341 56.726 55.300 0.142 0.000 1.099 1267 M CB -0.389 32.306 32.600 0.159 0.000 1.394 1267 M HN 0.267 nan 8.290 nan 0.000 0.426 1268 L N -1.550 119.704 121.223 0.051 0.000 2.298 1268 L HA -0.007 4.333 4.340 -0.001 0.000 0.209 1268 L C 1.077 177.962 176.870 0.025 0.000 1.084 1268 L CA 0.577 55.434 54.840 0.030 0.000 0.816 1268 L CB -0.102 41.972 42.059 0.025 0.000 0.967 1268 L HN 0.097 nan 8.230 nan 0.000 0.460 1269 E N -0.684 119.534 120.200 0.030 0.000 2.603 1269 E HA 0.110 4.459 4.350 -0.001 0.000 0.211 1269 E C 0.710 177.328 176.600 0.031 0.000 0.995 1269 E CA -0.020 56.399 56.400 0.032 0.000 0.990 1269 E CB 0.461 30.177 29.700 0.027 0.000 1.036 1269 E HN 0.195 nan 8.360 nan 0.000 0.475 1270 N N -0.459 118.253 118.700 0.019 0.000 2.218 1270 N HA 0.086 4.825 4.740 -0.001 0.000 0.224 1270 N C -0.307 175.191 175.510 -0.020 0.000 1.248 1270 N CA 0.002 53.053 53.050 0.001 0.000 0.875 1270 N CB 1.149 39.623 38.487 -0.022 0.000 1.165 1270 N HN 0.050 nan 8.380 nan 0.000 0.485 1271 I N 3.228 123.783 120.570 -0.026 0.000 2.406 1271 I HA 0.052 4.222 4.170 -0.001 0.000 0.293 1271 I C 0.151 176.228 176.117 -0.068 0.000 1.101 1271 I CA 0.440 61.709 61.300 -0.051 0.000 1.334 1271 I CB -0.694 37.288 38.000 -0.031 0.000 1.421 1271 I HN -0.172 nan 8.210 nan 0.000 0.513 1272 T N 7.420 121.934 114.554 -0.067 0.000 2.729 1272 T HA 0.304 4.654 4.350 -0.001 0.000 0.296 1272 T C 1.332 175.967 174.700 -0.109 0.000 0.928 1272 T CA -0.509 61.533 62.100 -0.097 0.000 1.045 1272 T CB 1.713 70.570 68.868 -0.019 0.000 0.902 1272 T HN 0.272 nan 8.240 nan 0.000 0.500 1273 L N 2.053 123.187 121.223 -0.148 0.000 2.145 1273 L HA 0.273 4.613 4.340 -0.001 0.000 0.201 1273 L C 1.531 178.341 176.870 -0.099 0.000 1.075 1273 L CA 1.155 55.924 54.840 -0.117 0.000 0.773 1273 L CB -0.107 41.880 42.059 -0.120 0.000 0.936 1273 L HN 0.679 nan 8.230 nan 0.000 0.451 1274 R N -2.221 118.214 120.500 -0.108 0.000 2.909 1274 R HA 0.612 4.952 4.340 -0.001 0.000 0.262 1274 R C -0.137 176.139 176.300 -0.040 0.000 1.095 1274 R CA -0.295 55.766 56.100 -0.066 0.000 0.965 1274 R CB 0.219 30.485 30.300 -0.057 0.000 1.300 1274 R HN 0.045 nan 8.270 nan 0.000 0.442 1275 G N -0.050 108.748 108.800 -0.004 0.000 2.806 1275 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.236 1275 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.236 1275 G C -0.792 174.163 174.900 0.092 0.000 1.387 1275 G CA -0.201 44.924 45.100 0.041 0.000 0.884 1275 G HN 0.562 nan 8.290 nan 0.000 0.560 1276 V N 1.209 121.186 119.914 0.104 0.000 2.612 1276 V HA 0.533 4.653 4.120 -0.001 0.000 0.301 1276 V C 1.001 177.143 176.094 0.080 0.000 1.046 1276 V CA 0.037 62.383 62.300 0.078 0.000 0.946 1276 V CB 1.516 33.351 31.823 0.022 0.000 1.003 1276 V HN 1.138 nan 8.190 nan 0.000 0.459 1277 E N 3.716 123.901 120.200 -0.025 0.000 2.447 1277 E HA 0.020 4.370 4.350 -0.001 0.000 0.259 1277 E C 0.328 176.768 176.600 -0.267 0.000 1.196 1277 E CA 0.137 56.350 56.400 -0.312 0.000 0.995 1277 E CB 0.122 29.704 29.700 -0.197 0.000 0.974 1277 E HN 0.673 nan 8.360 nan 0.000 0.465 1278 N N -1.144 117.348 118.700 -0.346 0.000 2.282 1278 N HA -0.255 4.484 4.740 -0.001 0.000 0.222 1278 N C -0.034 175.398 175.510 -0.130 0.000 0.937 1278 N CA 1.867 54.801 53.050 -0.193 0.000 2.775 1278 N CB -1.444 36.971 38.487 -0.120 0.000 0.817 1278 N HN 0.515 nan 8.380 nan 0.000 0.463 1279 I N 3.121 123.636 120.570 -0.091 0.000 2.576 1279 I HA -0.021 4.148 4.170 -0.001 0.000 0.288 1279 I C 1.247 177.379 176.117 0.025 0.000 1.126 1279 I CA 0.761 62.049 61.300 -0.020 0.000 1.362 1279 I CB 0.389 38.393 38.000 0.006 0.000 1.419 1279 I HN 0.139 nan 8.210 nan 0.000 0.533 1280 E N 5.052 125.264 120.200 0.020 0.000 4.416 1280 E HA 0.349 4.698 4.350 -0.001 0.000 0.416 1280 E C 0.073 176.703 176.600 0.051 0.000 1.099 1280 E CA -0.492 55.935 56.400 0.044 0.000 2.560 1280 E CB 0.267 29.981 29.700 0.023 0.000 1.873 1280 E HN 0.491 nan 8.360 nan 0.000 0.726 1281 R N -0.407 120.117 120.500 0.040 0.000 2.638 1281 R HA 0.242 4.582 4.340 -0.001 0.000 0.268 1281 R C -0.977 175.374 176.300 0.085 0.000 1.006 1281 R CA -0.005 56.128 56.100 0.054 0.000 1.088 1281 R CB -0.068 30.242 30.300 0.017 0.000 0.950 1281 R HN 0.057 nan 8.270 nan 0.000 0.419 1282 V N 3.926 123.926 119.914 0.144 0.000 2.577 1282 V HA 0.396 4.516 4.120 -0.001 0.000 0.303 1282 V C -0.610 175.567 176.094 0.138 0.000 1.042 1282 V CA -0.891 61.477 62.300 0.114 0.000 0.872 1282 V CB 2.091 33.959 31.823 0.075 0.000 0.998 1282 V HN 0.670 nan 8.190 nan 0.000 0.423 1283 V N 5.223 125.199 119.914 0.103 0.000 2.667 1283 V HA 0.522 4.642 4.120 -0.001 0.000 0.308 1283 V C 0.070 176.215 176.094 0.085 0.000 1.048 1283 V CA -0.700 61.659 62.300 0.099 0.000 0.928 1283 V CB 2.058 33.948 31.823 0.112 0.000 1.004 1283 V HN 0.802 nan 8.190 nan 0.000 0.444 1284 M N 4.051 123.699 119.600 0.081 0.000 2.180 1284 M HA 0.553 5.032 4.480 -0.001 0.000 0.358 1284 M C -0.645 175.827 176.300 0.286 0.000 1.233 1284 M CA -0.055 55.351 55.300 0.177 0.000 1.114 1284 M CB 1.262 33.923 32.600 0.101 0.000 1.594 1284 M HN 0.603 nan 8.290 nan 0.000 0.467 1285 M N 3.147 122.954 119.600 0.345 0.000 2.446 1285 M HA 0.349 4.828 4.480 -0.001 0.000 0.294 1285 M C -1.256 175.129 176.300 0.142 0.000 1.158 1285 M CA -0.399 55.026 55.300 0.208 0.000 0.899 1285 M CB 2.190 34.854 32.600 0.107 0.000 1.687 1285 M HN 0.420 nan 8.290 nan 0.000 0.455 1286 K N 3.145 123.435 120.400 -0.184 0.000 2.266 1286 K HA 0.325 4.645 4.320 -0.001 0.000 0.274 1286 K C -1.786 174.664 176.600 -0.250 0.000 1.090 1286 K CA -0.176 55.850 56.287 -0.436 0.000 0.925 1286 K CB 0.427 32.472 32.500 -0.759 0.000 1.225 1286 K HN 0.682 nan 8.250 nan 0.000 0.458 1287 Y N 2.145 122.368 120.300 -0.128 0.000 2.308 1287 Y HA 0.086 4.636 4.550 -0.001 0.000 0.329 1287 Y C 0.560 176.425 175.900 -0.058 0.000 1.111 1287 Y CA -0.338 57.737 58.100 -0.041 0.000 1.179 1287 Y CB 0.984 39.480 38.460 0.060 0.000 1.201 1287 Y HN 0.505 nan 8.280 nan 0.000 0.483 1288 D N 4.152 124.602 120.400 0.085 0.000 2.350 1288 D HA 0.157 4.796 4.640 -0.001 0.000 0.249 1288 D C -0.208 176.142 176.300 0.082 0.000 1.119 1288 D CA 0.170 54.195 54.000 0.042 0.000 0.886 1288 D CB 1.039 41.846 40.800 0.011 0.000 1.195 1288 D HN 0.444 nan 8.370 nan 0.000 0.437 1289 R N 2.344 122.874 120.500 0.051 0.000 2.515 1289 R HA 0.122 4.461 4.340 -0.001 0.000 0.291 1289 R C -0.853 175.473 176.300 0.042 0.000 1.046 1289 R CA -0.681 55.447 56.100 0.045 0.000 0.914 1289 R CB 1.301 31.624 30.300 0.038 0.000 1.191 1289 R HN 0.254 nan 8.270 nan 0.000 0.435 1290 K N 3.057 123.480 120.400 0.037 0.000 2.383 1290 K HA 0.244 4.564 4.320 -0.001 0.000 0.286 1290 K C -0.771 175.925 176.600 0.159 0.000 1.051 1290 K CA -0.080 56.254 56.287 0.078 0.000 0.974 1290 K CB 1.443 33.930 32.500 -0.021 0.000 0.968 1290 K HN 0.261 nan 8.250 nan 0.000 0.475 1291 V N 5.661 125.703 119.914 0.212 0.000 2.925 1291 V HA 0.262 4.381 4.120 -0.001 0.000 0.311 1291 V C -2.429 173.715 176.094 0.083 0.000 1.104 1291 V CA -2.415 59.991 62.300 0.177 0.000 0.954 1291 V CB 2.467 34.328 31.823 0.063 0.000 1.022 1291 V HN 0.613 nan 8.190 nan 0.000 0.427 1292 P HA 0.096 nan 4.420 nan 0.000 0.263 1292 P C -0.455 176.734 177.300 -0.185 0.000 1.195 1292 P CA 0.491 63.362 63.100 -0.381 0.000 0.762 1292 P CB 0.481 31.960 31.700 -0.367 0.000 0.799 1293 S N 5.414 121.012 115.700 -0.171 0.000 2.580 1293 S HA 0.228 4.698 4.470 -0.001 0.000 0.274 1293 S C -1.057 173.483 174.600 -0.101 0.000 1.329 1293 S CA -1.346 56.795 58.200 -0.098 0.000 1.036 1293 S CB -0.117 63.042 63.200 -0.068 0.000 0.919 1293 S HN 0.245 nan 8.310 nan 0.000 0.515 1294 P HA -0.217 nan 4.420 nan 0.000 0.217 1294 P C 1.728 178.991 177.300 -0.061 0.000 1.162 1294 P CA 2.543 65.608 63.100 -0.060 0.000 0.901 1294 P CB -0.977 30.700 31.700 -0.039 0.000 0.793 1295 T N -4.351 110.174 114.554 -0.049 0.000 2.802 1295 T HA -0.067 4.282 4.350 -0.001 0.000 0.269 1295 T C 1.688 176.356 174.700 -0.053 0.000 1.062 1295 T CA 2.250 64.327 62.100 -0.037 0.000 1.133 1295 T CB -0.951 67.904 68.868 -0.022 0.000 0.852 1295 T HN 0.383 nan 8.240 nan 0.000 0.485 1296 G N 1.214 109.958 108.800 -0.094 0.000 2.699 1296 G HA2 -0.143 3.816 3.960 -0.001 0.000 0.198 1296 G HA3 -0.143 3.816 3.960 -0.001 0.000 0.198 1296 G C 0.019 174.807 174.900 -0.186 0.000 1.033 1296 G CA -0.004 45.015 45.100 -0.135 0.000 0.728 1296 G HN 0.886 nan 8.290 nan 0.000 0.484 1297 E N 0.010 120.141 120.200 -0.115 0.000 2.397 1297 E HA 0.496 4.845 4.350 -0.001 0.000 0.254 1297 E C -0.807 175.696 176.600 -0.161 0.000 1.231 1297 E CA -0.557 55.793 56.400 -0.083 0.000 0.954 1297 E CB 0.706 30.408 29.700 0.004 0.000 1.024 1297 E HN 0.288 nan 8.360 nan 0.000 0.481 1298 Y N -0.000 120.297 120.300 -0.005 0.000 2.341 1298 Y HA 0.315 4.865 4.550 -0.001 0.000 0.340 1298 Y C -0.258 175.637 175.900 -0.007 0.000 0.997 1298 Y CA -0.533 57.562 58.100 -0.007 0.000 1.149 1298 Y CB 1.334 39.790 38.460 -0.005 0.000 1.171 1298 Y HN 0.220 nan 8.280 nan 0.000 0.494 1299 V N 2.997 122.984 119.914 0.122 0.000 2.919 1299 V HA 0.409 4.529 4.120 -0.001 0.000 0.316 1299 V C -0.413 175.725 176.094 0.074 0.000 1.077 1299 V CA -1.839 60.506 62.300 0.075 0.000 0.977 1299 V CB 1.955 33.798 31.823 0.033 0.000 1.039 1299 V HN 0.511 nan 8.190 nan 0.000 0.441 1300 K N 2.252 122.679 120.400 0.044 0.000 2.310 1300 K HA 0.241 4.560 4.320 -0.001 0.000 0.290 1300 K C -0.128 176.483 176.600 0.018 0.000 1.077 1300 K CA 0.003 56.307 56.287 0.030 0.000 0.922 1300 K CB 0.748 33.255 32.500 0.012 0.000 1.057 1300 K HN 0.727 nan 8.250 nan 0.000 0.479 1301 E N 5.354 125.568 120.200 0.023 0.000 2.194 1301 E HA 0.166 4.515 4.350 -0.001 0.000 0.284 1301 E C -2.326 174.272 176.600 -0.004 0.000 1.035 1301 E CA -2.207 54.200 56.400 0.013 0.000 0.836 1301 E CB 0.805 30.518 29.700 0.022 0.000 1.070 1301 E HN 0.189 nan 8.360 nan 0.000 0.401 1302 P HA 0.121 nan 4.420 nan 0.000 0.285 1302 P C -1.380 175.874 177.300 -0.077 0.000 1.259 1302 P CA -0.096 62.953 63.100 -0.085 0.000 0.794 1302 P CB 0.822 32.447 31.700 -0.125 0.000 0.940 1303 E N 1.713 121.856 120.200 -0.095 0.000 2.367 1303 E HA 0.432 4.782 4.350 -0.001 0.000 0.273 1303 E C -1.626 174.943 176.600 -0.051 0.000 0.903 1303 E CA -0.995 55.401 56.400 -0.007 0.000 0.764 1303 E CB 1.062 30.823 29.700 0.102 0.000 1.252 1303 E HN 0.225 nan 8.360 nan 0.000 0.446 1304 W N 2.115 123.497 121.300 0.137 0.000 2.335 1304 W HA 0.492 5.151 4.660 -0.001 0.000 0.307 1304 W C -0.844 175.762 176.519 0.145 0.000 1.117 1304 W CA -0.477 56.946 57.345 0.131 0.000 1.228 1304 W CB 1.713 31.224 29.460 0.084 0.000 1.240 1304 W HN 0.241 nan 8.180 nan 0.000 0.468 1305 V N 5.173 125.316 119.914 0.382 0.000 2.680 1305 V HA 0.456 4.575 4.120 -0.001 0.000 0.309 1305 V C -0.109 176.094 176.094 0.181 0.000 1.052 1305 V CA -1.230 61.190 62.300 0.199 0.000 0.908 1305 V CB 1.669 33.520 31.823 0.048 0.000 1.001 1305 V HN 0.308 nan 8.190 nan 0.000 0.431 1306 L N 3.565 124.811 121.223 0.038 0.000 2.295 1306 L HA 0.604 4.944 4.340 -0.001 0.000 0.285 1306 L C -0.042 176.833 176.870 0.007 0.000 1.035 1306 L CA -0.348 54.518 54.840 0.043 0.000 0.806 1306 L CB 1.441 43.508 42.059 0.013 0.000 1.214 1306 L HN 0.647 nan 8.230 nan 0.000 0.426 1307 E N 1.873 122.107 120.200 0.056 0.000 2.187 1307 E HA 0.397 4.746 4.350 -0.001 0.000 0.268 1307 E C -0.728 175.897 176.600 0.042 0.000 0.896 1307 E CA -0.494 55.937 56.400 0.052 0.000 0.766 1307 E CB 2.279 32.042 29.700 0.106 0.000 1.142 1307 E HN 0.565 nan 8.360 nan 0.000 0.408 1308 T N 0.485 115.051 114.554 0.020 0.000 2.920 1308 T HA 0.401 4.750 4.350 -0.001 0.000 0.292 1308 T C -0.461 174.250 174.700 0.018 0.000 1.093 1308 T CA -0.680 61.430 62.100 0.016 0.000 0.944 1308 T CB 0.469 69.333 68.868 -0.007 0.000 1.605 1308 T HN 0.435 nan 8.240 nan 0.000 0.590 1309 D N -0.814 119.591 120.400 0.008 0.000 2.266 1309 D HA 0.451 5.090 4.640 -0.001 0.000 0.218 1309 D C -0.412 175.883 176.300 -0.009 0.000 1.311 1309 D CA 0.874 54.876 54.000 0.004 0.000 0.918 1309 D CB -0.049 40.760 40.800 0.015 0.000 1.530 1309 D HN 1.107 nan 8.370 nan 0.000 0.514 1310 G N 0.336 109.123 108.800 -0.023 0.000 2.576 1310 G HA2 0.323 4.283 3.960 -0.001 0.000 0.686 1310 G HA3 0.323 4.283 3.960 -0.001 0.000 0.686 1310 G C -1.599 173.274 174.900 -0.045 0.000 1.242 1310 G CA -0.448 44.630 45.100 -0.038 0.000 0.819 1310 G HN 0.833 nan 8.290 nan 0.000 0.655 1311 V N 2.180 122.060 119.914 -0.056 0.000 2.612 1311 V HA 0.670 4.789 4.120 -0.001 0.000 0.301 1311 V C 0.016 176.074 176.094 -0.060 0.000 1.059 1311 V CA -0.466 61.798 62.300 -0.060 0.000 0.886 1311 V CB 1.931 33.710 31.823 -0.073 0.000 1.007 1311 V HN 1.012 nan 8.190 nan 0.000 0.426 1312 N N 4.505 123.173 118.700 -0.052 0.000 2.726 1312 N HA 0.116 4.855 4.740 -0.001 0.000 0.253 1312 N C 0.655 176.144 175.510 -0.035 0.000 1.530 1312 N CA -0.466 52.556 53.050 -0.047 0.000 0.772 1312 N CB 1.266 39.723 38.487 -0.050 0.000 1.220 1312 N HN 0.605 nan 8.380 nan 0.000 0.508 1313 L N 2.225 123.427 121.223 -0.035 0.000 2.191 1313 L HA -0.011 4.329 4.340 -0.001 0.000 0.212 1313 L C 1.700 178.563 176.870 -0.012 0.000 1.103 1313 L CA 1.784 56.611 54.840 -0.023 0.000 0.769 1313 L CB -0.367 41.677 42.059 -0.025 0.000 0.908 1313 L HN 0.374 nan 8.230 nan 0.000 0.438 1314 S N -0.493 115.199 115.700 -0.014 0.000 2.465 1314 S HA -0.109 4.360 4.470 -0.001 0.000 0.241 1314 S C 1.494 176.091 174.600 -0.005 0.000 1.000 1314 S CA 1.335 59.530 58.200 -0.007 0.000 0.964 1314 S CB -0.238 62.956 63.200 -0.010 0.000 0.763 1314 S HN 0.574 nan 8.310 nan 0.000 0.512 1315 E N -0.390 119.805 120.200 -0.008 0.000 2.603 1315 E HA 0.167 4.516 4.350 -0.001 0.000 0.224 1315 E C 1.554 178.152 176.600 -0.003 0.000 0.896 1315 E CA 0.211 56.608 56.400 -0.006 0.000 1.224 1315 E CB 0.500 30.195 29.700 -0.009 0.000 1.206 1315 E HN 0.379 nan 8.360 nan 0.000 0.576 1316 V N 1.886 121.797 119.914 -0.004 0.000 2.535 1316 V HA -0.176 3.944 4.120 -0.001 0.000 0.246 1316 V C 2.625 178.722 176.094 0.005 0.000 1.045 1316 V CA 1.717 64.015 62.300 -0.002 0.000 1.058 1316 V CB -0.793 31.025 31.823 -0.007 0.000 0.689 1316 V HN 0.281 nan 8.190 nan 0.000 0.461 1317 M N 1.785 121.391 119.600 0.010 0.000 2.229 1317 M HA -0.083 4.396 4.480 -0.001 0.000 0.264 1317 M C 1.970 178.279 176.300 0.016 0.000 1.063 1317 M CA 2.219 57.531 55.300 0.020 0.000 1.114 1317 M CB -1.325 31.292 32.600 0.027 0.000 1.387 1317 M HN 0.385 nan 8.290 nan 0.000 0.420 1318 T N -1.006 113.554 114.554 0.010 0.000 3.215 1318 T HA 0.239 4.589 4.350 -0.001 0.000 0.254 1318 T C 0.476 175.177 174.700 0.003 0.000 1.149 1318 T CA -0.307 61.797 62.100 0.007 0.000 1.042 1318 T CB -0.925 67.945 68.868 0.004 0.000 0.966 1318 T HN 0.214 nan 8.240 nan 0.000 0.534 1319 V N 3.713 123.628 119.914 0.002 0.000 2.555 1319 V HA 0.292 4.411 4.120 -0.001 0.000 0.286 1319 V C -1.964 174.127 176.094 -0.005 0.000 1.044 1319 V CA -1.799 60.500 62.300 -0.003 0.000 1.026 1319 V CB 0.879 32.700 31.823 -0.004 0.000 0.981 1319 V HN 0.364 nan 8.190 nan 0.000 0.480 1320 P HA 0.444 nan 4.420 nan 0.000 0.275 1320 P C 0.785 178.068 177.300 -0.028 0.000 1.227 1320 P CA 0.634 63.724 63.100 -0.016 0.000 0.781 1320 P CB 1.095 32.783 31.700 -0.019 0.000 0.906 1321 G N 1.492 110.271 108.800 -0.035 0.000 2.307 1321 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.210 1321 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.210 1321 G C 0.095 174.975 174.900 -0.033 0.000 1.005 1321 G CA 0.141 45.203 45.100 -0.063 0.000 0.634 1321 G HN 0.624 nan 8.290 nan 0.000 0.496 1322 I N -0.881 119.689 120.570 0.000 0.000 2.924 1322 I HA 0.784 4.954 4.170 -0.001 0.000 0.316 1322 I C -0.425 175.724 176.117 0.052 0.000 1.014 1322 I CA -1.167 60.154 61.300 0.035 0.000 1.106 1322 I CB 1.374 39.397 38.000 0.037 0.000 1.311 1322 I HN -0.085 nan 8.210 nan 0.000 0.502 1323 D N 3.882 124.335 120.400 0.089 0.000 2.441 1323 D HA 0.304 4.944 4.640 -0.001 0.000 0.221 1323 D C -1.975 174.379 176.300 0.091 0.000 1.156 1323 D CA -2.362 51.691 54.000 0.088 0.000 0.896 1323 D CB 0.876 41.737 40.800 0.103 0.000 1.028 1323 D HN 0.338 nan 8.370 nan 0.000 0.509 1324 P HA 0.105 nan 4.420 nan 0.000 0.244 1324 P C 0.544 177.877 177.300 0.056 0.000 1.632 1324 P CA 0.013 63.149 63.100 0.060 0.000 0.944 1324 P CB 0.538 32.262 31.700 0.040 0.000 1.569 1325 T N -1.126 113.462 114.554 0.056 0.000 2.971 1325 T HA 0.218 4.568 4.350 -0.001 0.000 0.252 1325 T C 1.398 176.123 174.700 0.042 0.000 1.022 1325 T CA 0.377 62.499 62.100 0.037 0.000 0.980 1325 T CB 0.115 68.991 68.868 0.013 0.000 1.044 1325 T HN 0.028 nan 8.240 nan 0.000 0.501 1326 R N 0.250 120.794 120.500 0.073 0.000 2.437 1326 R HA 0.436 4.775 4.340 -0.001 0.000 0.257 1326 R C 0.545 177.042 176.300 0.328 0.000 0.927 1326 R CA -0.253 55.894 56.100 0.079 0.000 1.078 1326 R CB 0.548 30.767 30.300 -0.135 0.000 1.161 1326 R HN 0.371 nan 8.270 nan 0.000 0.529 1327 I N 1.485 122.229 120.570 0.289 0.000 2.683 1327 I HA -0.082 4.087 4.170 -0.001 0.000 0.286 1327 I C -0.761 175.527 176.117 0.284 0.000 1.175 1327 I CA 0.243 61.701 61.300 0.263 0.000 1.429 1327 I CB 0.220 38.299 38.000 0.131 0.000 1.371 1327 I HN -0.035 nan 8.210 nan 0.000 0.569 1328 Y N 6.382 126.743 120.300 0.101 0.000 2.562 1328 Y HA 0.616 5.165 4.550 -0.001 0.000 0.343 1328 Y C -0.682 175.239 175.900 0.035 0.000 1.025 1328 Y CA -0.734 57.416 58.100 0.083 0.000 1.082 1328 Y CB 1.958 40.493 38.460 0.125 0.000 1.264 1328 Y HN 0.619 nan 8.280 nan 0.000 0.478 1329 T N 3.210 117.285 114.554 -0.799 0.000 2.903 1329 T HA 0.181 4.530 4.350 -0.001 0.000 0.299 1329 T C 0.173 174.362 174.700 -0.852 0.000 1.093 1329 T CA -0.905 60.847 62.100 -0.580 0.000 1.002 1329 T CB 1.264 69.944 68.868 -0.313 0.000 1.127 1329 T HN 0.662 nan 8.240 nan 0.000 0.488 1330 N N -0.034 118.426 118.700 -0.399 0.000 2.467 1330 N HA -0.024 4.716 4.740 -0.001 0.000 0.184 1330 N C 0.564 176.032 175.510 -0.069 0.000 1.106 1330 N CA -0.087 52.842 53.050 -0.200 0.000 0.892 1330 N CB 0.130 38.597 38.487 -0.033 0.000 0.969 1330 N HN 0.452 nan 8.380 nan 0.000 0.454 1331 S N 0.676 116.295 115.700 -0.135 0.000 2.409 1331 S HA 0.191 4.660 4.470 -0.001 0.000 0.308 1331 S C 0.510 175.033 174.600 -0.127 0.000 1.080 1331 S CA -1.025 57.081 58.200 -0.155 0.000 1.081 1331 S CB -0.763 62.330 63.200 -0.179 0.000 1.009 1331 S HN 0.303 nan 8.310 nan 0.000 0.502 1332 F N 4.029 123.964 119.950 -0.025 0.000 2.699 1332 F HA 0.216 4.742 4.527 -0.001 0.000 0.298 1332 F C 0.789 176.598 175.800 0.015 0.000 1.154 1332 F CA 0.015 58.023 58.000 0.013 0.000 1.457 1332 F CB -0.721 38.310 39.000 0.051 0.000 1.106 1332 F HN 0.501 nan 8.300 nan 0.000 0.585 1333 I N 0.370 120.639 120.570 -0.502 0.000 2.703 1333 I HA -0.080 4.089 4.170 -0.001 0.000 0.259 1333 I C 1.911 177.946 176.117 -0.137 0.000 1.151 1333 I CA 0.770 61.877 61.300 -0.322 0.000 1.470 1333 I CB -0.736 37.023 38.000 -0.401 0.000 1.112 1333 I HN 0.012 nan 8.210 nan 0.000 0.437 1334 D N 1.245 121.563 120.400 -0.136 0.000 2.123 1334 D HA -0.037 4.603 4.640 -0.001 0.000 0.200 1334 D C 2.361 178.647 176.300 -0.024 0.000 0.976 1334 D CA 1.269 55.224 54.000 -0.074 0.000 0.831 1334 D CB 0.043 40.793 40.800 -0.084 0.000 0.974 1334 D HN 0.282 nan 8.370 nan 0.000 0.469 1335 I N 1.100 121.670 120.570 -0.001 0.000 2.423 1335 I HA -0.228 3.941 4.170 -0.001 0.000 0.254 1335 I C 2.446 178.603 176.117 0.066 0.000 1.151 1335 I CA 0.682 62.013 61.300 0.051 0.000 1.421 1335 I CB -0.249 37.813 38.000 0.103 0.000 1.079 1335 I HN 0.069 nan 8.210 nan 0.000 0.431 1336 M N 0.493 120.132 119.600 0.066 0.000 2.288 1336 M HA -0.148 4.331 4.480 -0.001 0.000 0.266 1336 M C 1.951 178.277 176.300 0.042 0.000 1.072 1336 M CA 1.631 56.974 55.300 0.071 0.000 1.132 1336 M CB -0.066 32.587 32.600 0.088 0.000 1.386 1336 M HN 0.191 nan 8.290 nan 0.000 0.432 1337 E N -0.605 119.607 120.200 0.021 0.000 2.107 1337 E HA -0.122 4.227 4.350 -0.001 0.000 0.191 1337 E C 1.944 178.553 176.600 0.015 0.000 0.982 1337 E CA 1.228 57.635 56.400 0.012 0.000 0.809 1337 E CB 0.105 29.801 29.700 -0.006 0.000 0.756 1337 E HN 0.394 nan 8.360 nan 0.000 0.459 1338 V N 0.847 120.772 119.914 0.017 0.000 2.492 1338 V HA -0.055 4.064 4.120 -0.001 0.000 0.241 1338 V C 1.871 177.981 176.094 0.027 0.000 1.041 1338 V CA 0.950 63.261 62.300 0.018 0.000 1.057 1338 V CB 0.029 31.861 31.823 0.015 0.000 0.711 1338 V HN 0.191 nan 8.190 nan 0.000 0.468 1339 L N 0.107 121.353 121.223 0.038 0.000 2.857 1339 L HA 0.557 4.897 4.340 -0.001 0.000 0.249 1339 L C 0.830 177.727 176.870 0.046 0.000 1.172 1339 L CA 0.463 55.329 54.840 0.044 0.000 0.980 1339 L CB 0.036 42.130 42.059 0.059 0.000 1.299 1339 L HN 0.531 nan 8.230 nan 0.000 0.535 1340 G N 0.707 109.534 108.800 0.044 0.000 2.699 1340 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.686 1340 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.686 1340 G C 0.168 175.102 174.900 0.056 0.000 1.301 1340 G CA -0.142 44.984 45.100 0.045 0.000 0.816 1340 G HN 0.045 nan 8.290 nan 0.000 0.595 1341 I N -0.010 120.592 120.570 0.055 0.000 2.163 1341 I HA -0.053 4.116 4.170 -0.001 0.000 0.243 1341 I C 2.294 178.453 176.117 0.069 0.000 1.085 1341 I CA 2.688 64.026 61.300 0.064 0.000 1.347 1341 I CB -0.070 37.965 38.000 0.058 0.000 1.044 1341 I HN 0.647 nan 8.210 nan 0.000 0.408 1342 E N 0.644 120.878 120.200 0.057 0.000 2.208 1342 E HA -0.122 4.227 4.350 -0.001 0.000 0.193 1342 E C 2.201 178.837 176.600 0.059 0.000 0.988 1342 E CA 1.056 57.487 56.400 0.052 0.000 0.828 1342 E CB -0.208 29.515 29.700 0.039 0.000 0.763 1342 E HN 0.663 nan 8.360 nan 0.000 0.478 1343 A N 0.852 123.712 122.820 0.067 0.000 1.873 1343 A HA -0.053 4.267 4.320 -0.001 0.000 0.215 1343 A C 2.476 180.131 177.584 0.118 0.000 1.186 1343 A CA 1.688 53.775 52.037 0.084 0.000 0.616 1343 A CB -1.028 18.022 19.000 0.084 0.000 0.823 1343 A HN 0.328 nan 8.150 nan 0.000 0.442 1344 G N -0.594 108.281 108.800 0.125 0.000 2.475 1344 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.220 1344 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.220 1344 G C 1.730 176.719 174.900 0.148 0.000 1.125 1344 G CA 1.067 46.268 45.100 0.168 0.000 0.755 1344 G HN 0.528 nan 8.290 nan 0.000 0.565 1345 R N 0.559 121.122 120.500 0.104 0.000 2.075 1345 R HA 0.038 4.377 4.340 -0.001 0.000 0.232 1345 R C 2.784 179.140 176.300 0.094 0.000 1.126 1345 R CA 1.391 57.536 56.100 0.075 0.000 0.963 1345 R CB -0.341 29.990 30.300 0.052 0.000 0.858 1345 R HN 0.301 nan 8.270 nan 0.000 0.435 1346 A N 0.366 123.250 122.820 0.106 0.000 2.014 1346 A HA 0.037 4.356 4.320 -0.001 0.000 0.218 1346 A C 2.217 179.918 177.584 0.196 0.000 1.163 1346 A CA 1.266 53.385 52.037 0.136 0.000 0.652 1346 A CB -0.350 18.702 19.000 0.086 0.000 0.808 1346 A HN 0.498 nan 8.150 nan 0.000 0.449 1347 A N -0.263 122.680 122.820 0.205 0.000 1.872 1347 A HA 0.044 4.364 4.320 -0.001 0.000 0.214 1347 A C 2.076 179.775 177.584 0.191 0.000 1.187 1347 A CA 1.539 53.751 52.037 0.291 0.000 0.614 1347 A CB -0.648 18.562 19.000 0.349 0.000 0.826 1347 A HN 0.653 nan 8.150 nan 0.000 0.442 1348 L N -1.295 119.969 121.223 0.068 0.000 2.042 1348 L HA -0.179 4.160 4.340 -0.001 0.000 0.210 1348 L C 2.310 179.115 176.870 -0.108 0.000 1.076 1348 L CA 2.491 57.194 54.840 -0.230 0.000 0.749 1348 L CB -0.909 40.963 42.059 -0.313 0.000 0.893 1348 L HN 0.552 nan 8.230 nan 0.000 0.432 1349 Y N 0.270 120.531 120.300 -0.066 0.000 2.181 1349 Y HA -0.270 4.279 4.550 -0.001 0.000 0.288 1349 Y C 2.658 178.600 175.900 0.070 0.000 1.146 1349 Y CA 2.315 60.404 58.100 -0.017 0.000 1.164 1349 Y CB -0.226 38.224 38.460 -0.016 0.000 0.982 1349 Y HN 0.215 nan 8.280 nan 0.000 0.515 1350 K N -0.025 120.415 120.400 0.066 0.000 2.063 1350 K HA -0.261 4.059 4.320 -0.001 0.000 0.208 1350 K C 1.993 178.616 176.600 0.039 0.000 1.048 1350 K CA 1.924 58.225 56.287 0.023 0.000 0.928 1350 K CB -0.152 32.414 32.500 0.111 0.000 0.713 1350 K HN 0.282 nan 8.250 nan 0.000 0.442 1351 E N -0.179 120.062 120.200 0.069 0.000 2.208 1351 E HA -0.076 4.273 4.350 -0.001 0.000 0.193 1351 E C 1.635 178.226 176.600 -0.015 0.000 0.988 1351 E CA 0.582 57.029 56.400 0.079 0.000 0.828 1351 E CB 0.284 30.049 29.700 0.108 0.000 0.763 1351 E HN 0.097 nan 8.360 nan 0.000 0.478 1352 V N -0.048 119.800 119.914 -0.109 0.000 2.302 1352 V HA -0.192 3.927 4.120 -0.001 0.000 0.243 1352 V C 1.933 177.951 176.094 -0.126 0.000 1.036 1352 V CA 1.747 63.975 62.300 -0.121 0.000 1.020 1352 V CB -0.799 30.941 31.823 -0.138 0.000 0.657 1352 V HN 0.356 nan 8.190 nan 0.000 0.453 1353 Y N 1.608 121.670 120.300 -0.397 0.000 2.132 1353 Y HA -0.350 4.199 4.550 -0.001 0.000 0.280 1353 Y C 2.636 178.452 175.900 -0.139 0.000 1.193 1353 Y CA 2.386 60.273 58.100 -0.355 0.000 1.157 1353 Y CB -0.331 37.748 38.460 -0.635 0.000 0.966 1353 Y HN 0.256 nan 8.280 nan 0.000 0.511 1354 N N -0.097 118.649 118.700 0.076 0.000 2.166 1354 N HA -0.193 4.546 4.740 -0.001 0.000 0.186 1354 N C 1.973 177.470 175.510 -0.022 0.000 1.019 1354 N CA 1.382 54.482 53.050 0.082 0.000 0.856 1354 N CB -0.327 38.254 38.487 0.155 0.000 0.993 1354 N HN 0.409 nan 8.380 nan 0.000 0.426 1355 V N 1.588 121.481 119.914 -0.034 0.000 2.427 1355 V HA -0.145 3.975 4.120 -0.001 0.000 0.248 1355 V C 2.148 178.200 176.094 -0.070 0.000 1.051 1355 V CA 0.940 63.220 62.300 -0.033 0.000 1.048 1355 V CB -0.217 31.596 31.823 -0.016 0.000 0.666 1355 V HN 0.172 nan 8.190 nan 0.000 0.456 1356 I N 0.615 121.107 120.570 -0.130 0.000 2.141 1356 I HA -0.073 4.097 4.170 -0.001 0.000 0.236 1356 I C 2.845 178.866 176.117 -0.160 0.000 1.071 1356 I CA 1.798 63.014 61.300 -0.140 0.000 1.345 1356 I CB -2.099 35.795 38.000 -0.176 0.000 1.066 1356 I HN 0.330 nan 8.210 nan 0.000 0.406 1357 A N 1.812 124.445 122.820 -0.311 0.000 1.873 1357 A HA -0.275 4.045 4.320 -0.001 0.000 0.218 1357 A C 2.561 180.081 177.584 -0.107 0.000 1.193 1357 A CA 3.272 55.142 52.037 -0.277 0.000 0.629 1357 A CB -1.242 17.421 19.000 -0.560 0.000 0.826 1357 A HN 0.593 nan 8.150 nan 0.000 0.447 1358 S N -0.793 114.863 115.700 -0.074 0.000 2.440 1358 S HA -0.179 4.291 4.470 -0.001 0.000 0.238 1358 S C 1.320 175.913 174.600 -0.011 0.000 1.010 1358 S CA 1.540 59.730 58.200 -0.016 0.000 0.972 1358 S CB -0.452 62.754 63.200 0.010 0.000 0.774 1358 S HN 0.548 nan 8.310 nan 0.000 0.501 1359 D N 0.783 121.169 120.400 -0.023 0.000 2.319 1359 D HA 0.231 4.871 4.640 -0.001 0.000 0.230 1359 D C 1.471 177.770 176.300 -0.002 0.000 1.094 1359 D CA 0.741 54.735 54.000 -0.010 0.000 0.856 1359 D CB 0.112 40.904 40.800 -0.014 0.000 0.915 1359 D HN 0.611 nan 8.370 nan 0.000 0.517 1360 G N 0.421 109.219 108.800 -0.002 0.000 3.079 1360 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.214 1360 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.214 1360 G C 0.619 175.536 174.900 0.028 0.000 1.335 1360 G CA 0.208 45.315 45.100 0.011 0.000 0.822 1360 G HN 0.368 nan 8.290 nan 0.000 0.545 1361 S N 0.460 116.176 115.700 0.026 0.000 2.542 1361 S HA 0.326 4.795 4.470 -0.001 0.000 0.287 1361 S C -0.370 174.292 174.600 0.102 0.000 1.315 1361 S CA 0.982 59.210 58.200 0.047 0.000 1.037 1361 S CB 0.647 63.853 63.200 0.011 0.000 0.822 1361 S HN 1.175 nan 8.310 nan 0.000 0.513 1362 Y N 2.399 122.689 120.300 -0.016 0.000 2.329 1362 Y HA 0.546 5.095 4.550 -0.001 0.000 0.328 1362 Y C -0.897 175.029 175.900 0.044 0.000 0.992 1362 Y CA -0.849 57.250 58.100 -0.003 0.000 1.151 1362 Y CB 0.576 39.048 38.460 0.020 0.000 1.150 1362 Y HN 0.384 nan 8.280 nan 0.000 0.450 1363 V N 5.281 124.940 119.914 -0.425 0.000 2.850 1363 V HA 0.357 4.477 4.120 -0.001 0.000 0.315 1363 V C -0.334 175.435 176.094 -0.540 0.000 1.064 1363 V CA -1.177 60.898 62.300 -0.376 0.000 0.979 1363 V CB 1.958 33.723 31.823 -0.096 0.000 1.039 1363 V HN 0.815 nan 8.190 nan 0.000 0.452 1364 N N 0.352 118.905 118.700 -0.246 0.000 2.499 1364 N HA 0.138 4.877 4.740 -0.001 0.000 0.281 1364 N C 0.750 176.275 175.510 0.024 0.000 1.098 1364 N CA -0.335 52.629 53.050 -0.143 0.000 0.979 1364 N CB 0.545 38.950 38.487 -0.138 0.000 1.121 1364 N HN 0.700 nan 8.380 nan 0.000 0.466 1365 Y N 4.250 124.588 120.300 0.063 0.000 2.173 1365 Y HA -0.365 4.185 4.550 -0.001 0.000 0.282 1365 Y C 1.992 177.860 175.900 -0.054 0.000 1.192 1365 Y CA 2.065 60.229 58.100 0.107 0.000 1.176 1365 Y CB 0.042 38.556 38.460 0.090 0.000 0.969 1365 Y HN 0.669 nan 8.280 nan 0.000 0.519 1366 R N -1.228 119.184 120.500 -0.147 0.000 2.081 1366 R HA -0.176 4.163 4.340 -0.001 0.000 0.235 1366 R C 1.799 177.909 176.300 -0.316 0.000 1.131 1366 R CA 1.574 57.463 56.100 -0.352 0.000 0.960 1366 R CB -1.189 28.807 30.300 -0.507 0.000 0.856 1366 R HN 0.418 nan 8.270 nan 0.000 0.436 1367 H N 1.436 120.447 119.070 -0.099 0.000 2.251 1367 H HA -0.076 4.479 4.556 -0.001 0.000 0.294 1367 H C 2.294 177.571 175.328 -0.085 0.000 1.078 1367 H CA 2.033 58.044 56.048 -0.063 0.000 1.246 1367 H CB -0.559 29.181 29.762 -0.036 0.000 1.358 1367 H HN 0.161 nan 8.280 nan 0.000 0.488 1368 M N 0.298 119.939 119.600 0.068 0.000 2.082 1368 M HA -0.190 4.290 4.480 -0.001 0.000 0.258 1368 M C 2.678 178.953 176.300 -0.041 0.000 1.069 1368 M CA 1.882 57.213 55.300 0.052 0.000 1.102 1368 M CB -0.307 32.414 32.600 0.202 0.000 1.336 1368 M HN 0.314 nan 8.290 nan 0.000 0.404 1369 A N -0.353 122.289 122.820 -0.296 0.000 2.024 1369 A HA -0.155 4.164 4.320 -0.001 0.000 0.220 1369 A C 2.078 179.528 177.584 -0.223 0.000 1.164 1369 A CA 1.386 53.153 52.037 -0.449 0.000 0.643 1369 A CB -0.731 17.692 19.000 -0.962 0.000 0.806 1369 A HN 0.448 nan 8.150 nan 0.000 0.451 1370 L N -1.023 120.109 121.223 -0.151 0.000 2.109 1370 L HA -0.036 4.304 4.340 -0.001 0.000 0.207 1370 L C 2.182 179.014 176.870 -0.063 0.000 1.086 1370 L CA 1.426 56.221 54.840 -0.074 0.000 0.760 1370 L CB -0.465 41.593 42.059 -0.001 0.000 0.910 1370 L HN 0.371 nan 8.230 nan 0.000 0.437 1371 L N -1.167 120.021 121.223 -0.058 0.000 1.976 1371 L HA -0.149 4.190 4.340 -0.001 0.000 0.209 1371 L C 2.419 179.250 176.870 -0.065 0.000 1.071 1371 L CA 2.010 56.810 54.840 -0.067 0.000 0.746 1371 L CB -1.038 40.986 42.059 -0.060 0.000 0.890 1371 L HN 0.092 nan 8.230 nan 0.000 0.432 1372 V N 0.212 120.094 119.914 -0.053 0.000 2.255 1372 V HA -0.311 3.808 4.120 -0.001 0.000 0.247 1372 V C 2.399 178.469 176.094 -0.041 0.000 1.051 1372 V CA 2.098 64.372 62.300 -0.043 0.000 1.018 1372 V CB -0.865 30.952 31.823 -0.010 0.000 0.641 1372 V HN 0.465 nan 8.190 nan 0.000 0.445 1373 D N -0.161 120.206 120.400 -0.055 0.000 2.182 1373 D HA -0.129 4.510 4.640 -0.001 0.000 0.201 1373 D C 2.114 178.393 176.300 -0.034 0.000 0.986 1373 D CA 1.260 55.234 54.000 -0.043 0.000 0.847 1373 D CB -0.075 40.691 40.800 -0.057 0.000 0.942 1373 D HN 0.342 nan 8.370 nan 0.000 0.467 1374 V N 0.977 120.864 119.914 -0.045 0.000 2.453 1374 V HA -0.172 3.948 4.120 -0.001 0.000 0.247 1374 V C 2.446 178.526 176.094 -0.024 0.000 1.048 1374 V CA 0.979 63.254 62.300 -0.043 0.000 1.049 1374 V CB -0.324 31.459 31.823 -0.067 0.000 0.672 1374 V HN 0.215 nan 8.190 nan 0.000 0.457 1375 M N -0.799 118.785 119.600 -0.025 0.000 2.435 1375 M HA -0.153 4.326 4.480 -0.001 0.000 0.262 1375 M C 1.940 178.255 176.300 0.026 0.000 1.065 1375 M CA 1.571 56.873 55.300 0.003 0.000 1.076 1375 M CB -0.454 32.140 32.600 -0.009 0.000 1.403 1375 M HN 0.303 nan 8.290 nan 0.000 0.454 1376 T N -0.831 113.733 114.554 0.018 0.000 2.969 1376 T HA 0.025 4.375 4.350 -0.001 0.000 0.250 1376 T C 1.612 176.332 174.700 0.034 0.000 1.021 1376 T CA 1.010 63.131 62.100 0.034 0.000 1.003 1376 T CB 0.156 69.043 68.868 0.032 0.000 1.040 1376 T HN 0.482 nan 8.240 nan 0.000 0.492 1377 T N -0.314 114.253 114.554 0.020 0.000 3.160 1377 T HA 0.125 4.474 4.350 -0.001 0.000 0.257 1377 T C 1.415 176.130 174.700 0.025 0.000 1.147 1377 T CA 0.389 62.501 62.100 0.019 0.000 1.064 1377 T CB -0.050 68.815 68.868 -0.005 0.000 0.949 1377 T HN 0.264 nan 8.240 nan 0.000 0.526 1378 Q N 0.303 120.122 119.800 0.032 0.000 2.280 1378 Q HA 0.315 4.654 4.340 -0.001 0.000 0.201 1378 Q C 1.544 177.569 176.000 0.042 0.000 0.890 1378 Q CA 0.422 56.247 55.803 0.036 0.000 0.947 1378 Q CB -0.127 28.635 28.738 0.041 0.000 1.081 1378 Q HN 0.763 nan 8.270 nan 0.000 0.502 1379 G N -0.915 107.912 108.800 0.044 0.000 2.284 1379 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.216 1379 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.216 1379 G C 0.320 175.251 174.900 0.052 0.000 1.009 1379 G CA -0.158 44.970 45.100 0.047 0.000 0.625 1379 G HN 0.583 nan 8.290 nan 0.000 0.501 1380 G N -0.881 107.953 108.800 0.056 0.000 3.212 1380 G HA2 0.625 4.585 3.960 -0.001 0.000 0.188 1380 G HA3 0.625 4.585 3.960 -0.001 0.000 0.188 1380 G C -0.638 174.310 174.900 0.080 0.000 1.254 1380 G CA -0.721 44.418 45.100 0.065 0.000 0.957 1380 G HN 0.658 nan 8.290 nan 0.000 0.596 1381 L N 2.084 123.365 121.223 0.096 0.000 2.417 1381 L HA 0.295 4.635 4.340 -0.001 0.000 0.258 1381 L C -0.134 176.808 176.870 0.120 0.000 1.088 1381 L CA -0.389 54.528 54.840 0.128 0.000 0.975 1381 L CB 0.667 42.835 42.059 0.182 0.000 1.341 1381 L HN 0.369 nan 8.230 nan 0.000 0.431 1382 T N -0.177 114.438 114.554 0.101 0.000 2.738 1382 T HA 0.189 4.538 4.350 -0.001 0.000 0.294 1382 T C 0.621 175.394 174.700 0.122 0.000 0.914 1382 T CA -0.604 61.560 62.100 0.106 0.000 1.052 1382 T CB 0.515 69.440 68.868 0.095 0.000 0.897 1382 T HN 0.541 nan 8.240 nan 0.000 0.522 1383 S N 1.713 117.501 115.700 0.146 0.000 2.593 1383 S HA 0.278 4.747 4.470 -0.001 0.000 0.269 1383 S C 0.848 175.573 174.600 0.208 0.000 1.334 1383 S CA -1.066 57.229 58.200 0.159 0.000 1.015 1383 S CB 0.678 63.980 63.200 0.169 0.000 0.912 1383 S HN 0.754 nan 8.310 nan 0.000 0.541 1384 V N -0.432 119.583 119.914 0.169 0.000 2.056 1384 V HA 0.501 4.621 4.120 -0.001 0.000 0.267 1384 V C -0.243 176.042 176.094 0.318 0.000 1.535 1384 V CA -0.317 62.109 62.300 0.209 0.000 1.475 1384 V CB -1.794 29.995 31.823 -0.055 0.000 1.441 1384 V HN 0.929 nan 8.190 nan 0.000 0.500 1385 T N 0.719 115.501 114.554 0.380 0.000 2.821 1385 T HA 0.415 4.765 4.350 -0.001 0.000 0.306 1385 T C 0.998 175.729 174.700 0.051 0.000 1.313 1385 T CA -0.507 61.768 62.100 0.292 0.000 1.012 1385 T CB 1.882 70.900 68.868 0.252 0.000 1.298 1385 T HN 0.537 nan 8.240 nan 0.000 0.502 1386 R N 0.669 121.181 120.500 0.021 0.000 2.198 1386 R HA -0.268 4.072 4.340 -0.001 0.000 0.258 1386 R C 1.349 177.437 176.300 -0.352 0.000 1.173 1386 R CA 2.087 58.045 56.100 -0.236 0.000 0.991 1386 R CB -0.995 29.110 30.300 -0.325 0.000 0.879 1386 R HN 0.675 nan 8.270 nan 0.000 0.460 1387 H N 0.388 119.453 119.070 -0.009 0.000 2.333 1387 H HA 0.088 4.643 4.556 -0.001 0.000 0.302 1387 H C 2.163 177.484 175.328 -0.011 0.000 1.075 1387 H CA 1.258 57.302 56.048 -0.007 0.000 1.348 1387 H CB -0.623 29.153 29.762 0.023 0.000 1.393 1387 H HN 0.421 nan 8.280 nan 0.000 0.509 1388 G N 1.423 110.305 108.800 0.136 0.000 2.632 1388 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.183 1388 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.183 1388 G C 1.393 176.311 174.900 0.030 0.000 1.592 1388 G CA 0.631 45.797 45.100 0.110 0.000 0.880 1388 G HN 0.421 nan 8.290 nan 0.000 0.399 1389 F N 0.908 120.851 119.950 -0.012 0.000 2.307 1389 F HA 0.012 4.538 4.527 -0.001 0.000 0.301 1389 F C 1.495 177.258 175.800 -0.062 0.000 1.076 1389 F CA 1.261 59.227 58.000 -0.056 0.000 1.383 1389 F CB -0.445 38.486 39.000 -0.114 0.000 1.055 1389 F HN 0.120 nan 8.300 nan 0.000 0.526 1390 N N 0.424 118.629 118.700 -0.826 0.000 2.410 1390 N HA 0.065 4.805 4.740 -0.001 0.000 0.231 1390 N C 1.249 176.614 175.510 -0.242 0.000 1.172 1390 N CA 0.012 52.692 53.050 -0.616 0.000 0.849 1390 N CB -0.164 37.936 38.487 -0.646 0.000 1.116 1390 N HN 0.503 nan 8.380 nan 0.000 0.485 1391 R N -1.628 118.788 120.500 -0.140 0.000 2.573 1391 R HA 0.302 4.641 4.340 -0.001 0.000 0.224 1391 R C -0.421 175.858 176.300 -0.035 0.000 0.904 1391 R CA 0.235 56.290 56.100 -0.074 0.000 0.995 1391 R CB -0.174 30.099 30.300 -0.046 0.000 1.430 1391 R HN -0.087 nan 8.270 nan 0.000 0.631 1392 S N 3.522 119.216 115.700 -0.010 0.000 3.829 1392 S HA 0.044 4.514 4.470 -0.001 0.000 0.250 1392 S C -0.311 174.293 174.600 0.008 0.000 1.263 1392 S CA 0.296 58.504 58.200 0.013 0.000 0.955 1392 S CB -0.638 62.585 63.200 0.038 0.000 1.611 1392 S HN 0.590 nan 8.310 nan 0.000 0.483 1393 N N 0.209 118.907 118.700 -0.003 0.000 2.531 1393 N HA -0.238 4.501 4.740 -0.001 0.000 0.244 1393 N C -0.206 175.302 175.510 -0.003 0.000 1.167 1393 N CA 1.475 54.521 53.050 -0.006 0.000 0.761 1393 N CB -2.270 36.218 38.487 0.002 0.000 1.084 1393 N HN 0.481 nan 8.380 nan 0.000 0.562 1394 T N -0.909 113.644 114.554 -0.001 0.000 2.813 1394 T HA 0.506 4.855 4.350 -0.001 0.000 0.297 1394 T C 1.293 175.992 174.700 -0.001 0.000 1.036 1394 T CA -0.020 62.084 62.100 0.007 0.000 1.044 1394 T CB 0.701 69.581 68.868 0.020 0.000 0.993 1394 T HN 0.505 nan 8.240 nan 0.000 0.535 1395 G N -0.103 108.705 108.800 0.012 0.000 2.321 1395 G HA2 0.321 4.281 3.960 -0.001 0.000 0.237 1395 G HA3 0.321 4.281 3.960 -0.001 0.000 0.237 1395 G C 1.159 176.060 174.900 0.001 0.000 1.282 1395 G CA -0.176 44.938 45.100 0.023 0.000 0.886 1395 G HN 0.901 nan 8.290 nan 0.000 0.528 1396 A N 2.662 125.472 122.820 -0.016 0.000 1.883 1396 A HA -0.104 4.216 4.320 -0.001 0.000 0.217 1396 A C 2.486 180.014 177.584 -0.094 0.000 1.186 1396 A CA 1.546 53.492 52.037 -0.151 0.000 0.624 1396 A CB -0.457 18.268 19.000 -0.458 0.000 0.822 1396 A HN 0.646 nan 8.150 nan 0.000 0.444 1397 L N -1.351 119.894 121.223 0.038 0.000 2.043 1397 L HA -0.265 4.074 4.340 -0.001 0.000 0.212 1397 L C 2.839 179.726 176.870 0.029 0.000 1.075 1397 L CA 1.951 56.831 54.840 0.067 0.000 0.752 1397 L CB -0.420 41.717 42.059 0.128 0.000 0.891 1397 L HN 0.579 nan 8.230 nan 0.000 0.432 1398 M N -0.170 119.448 119.600 0.030 0.000 2.180 1398 M HA -0.278 4.202 4.480 -0.001 0.000 0.260 1398 M C 2.279 178.606 176.300 0.046 0.000 1.071 1398 M CA 1.907 57.228 55.300 0.036 0.000 1.096 1398 M CB -0.176 32.445 32.600 0.035 0.000 1.276 1398 M HN 0.070 nan 8.290 nan 0.000 0.426 1399 R N -0.629 119.886 120.500 0.026 0.000 2.377 1399 R HA -0.109 4.231 4.340 -0.001 0.000 0.207 1399 R C 2.003 178.316 176.300 0.022 0.000 1.075 1399 R CA 0.601 56.720 56.100 0.032 0.000 1.035 1399 R CB -0.700 29.579 30.300 -0.034 0.000 0.857 1399 R HN 0.519 nan 8.270 nan 0.000 0.475 1400 C N -0.107 119.191 119.300 -0.005 0.000 2.486 1400 C HA -0.059 4.401 4.460 -0.001 0.000 0.279 1400 C C 2.744 177.743 174.990 0.015 0.000 1.302 1400 C CA 1.235 60.235 59.018 -0.031 0.000 1.720 1400 C CB -0.563 27.144 27.740 -0.054 0.000 2.030 1400 C HN 0.601 nan 8.230 nan 0.000 0.490 1401 S N -0.828 114.908 115.700 0.060 0.000 2.571 1401 S HA -0.110 4.360 4.470 -0.001 0.000 0.245 1401 S C 0.138 174.845 174.600 0.179 0.000 0.976 1401 S CA 0.742 58.998 58.200 0.092 0.000 0.954 1401 S CB -0.524 62.731 63.200 0.092 0.000 0.756 1401 S HN 0.532 nan 8.310 nan 0.000 0.535 1402 F N 1.030 120.977 119.950 -0.005 0.000 2.540 1402 F HA 0.542 5.068 4.527 -0.001 0.000 0.317 1402 F C 0.739 176.517 175.800 -0.037 0.000 1.104 1402 F CA -1.282 56.726 58.000 0.013 0.000 0.913 1402 F CB 1.436 40.472 39.000 0.060 0.000 1.170 1402 F HN 0.087 nan 8.300 nan 0.000 0.450 1403 E N 1.462 121.207 120.200 -0.759 0.000 3.681 1403 E HA -0.374 3.975 4.350 -0.001 0.000 0.444 1403 E C -0.269 176.152 176.600 -0.298 0.000 1.570 1403 E CA 2.505 58.541 56.400 -0.606 0.000 1.415 1403 E CB -0.622 28.561 29.700 -0.862 0.000 1.310 1403 E HN 0.753 nan 8.360 nan 0.000 0.346 1404 E N 0.703 120.757 120.200 -0.243 0.000 1.944 1404 E HA 0.059 4.408 4.350 -0.001 0.000 0.272 1404 E C 0.260 176.769 176.600 -0.151 0.000 1.195 1404 E CA 0.253 56.551 56.400 -0.171 0.000 0.926 1404 E CB 0.640 30.249 29.700 -0.152 0.000 1.051 1404 E HN 0.295 nan 8.360 nan 0.000 0.404 1405 T N 1.081 115.545 114.554 -0.151 0.000 2.866 1405 T HA -0.090 4.259 4.350 -0.001 0.000 0.250 1405 T C 1.647 176.225 174.700 -0.203 0.000 1.033 1405 T CA 0.209 62.219 62.100 -0.150 0.000 1.145 1405 T CB 0.172 68.962 68.868 -0.130 0.000 0.866 1405 T HN 0.279 nan 8.240 nan 0.000 0.434 1406 V N 0.857 120.630 119.914 -0.236 0.000 3.307 1406 V HA 0.083 4.202 4.120 -0.001 0.000 0.253 1406 V C 2.128 177.962 176.094 -0.434 0.000 1.149 1406 V CA 0.992 63.055 62.300 -0.396 0.000 1.112 1406 V CB -0.035 31.546 31.823 -0.403 0.000 0.777 1406 V HN 0.248 nan 8.190 nan 0.000 0.464 1407 E N 0.428 120.506 120.200 -0.204 0.000 2.085 1407 E HA -0.172 4.177 4.350 -0.001 0.000 0.194 1407 E C 2.053 178.572 176.600 -0.135 0.000 0.994 1407 E CA 1.580 57.927 56.400 -0.089 0.000 0.801 1407 E CB -0.223 29.434 29.700 -0.073 0.000 0.743 1407 E HN 0.424 nan 8.360 nan 0.000 0.453 1408 I N 0.360 120.819 120.570 -0.185 0.000 2.163 1408 I HA -0.248 3.921 4.170 -0.001 0.000 0.243 1408 I C 2.231 178.179 176.117 -0.280 0.000 1.085 1408 I CA 1.265 62.442 61.300 -0.205 0.000 1.347 1408 I CB -1.101 36.783 38.000 -0.194 0.000 1.044 1408 I HN 0.160 nan 8.210 nan 0.000 0.408 1409 L N -0.677 120.329 121.223 -0.362 0.000 2.079 1409 L HA -0.236 4.104 4.340 -0.001 0.000 0.210 1409 L C 2.557 179.238 176.870 -0.314 0.000 1.081 1409 L CA 1.272 55.838 54.840 -0.457 0.000 0.752 1409 L CB -0.682 41.089 42.059 -0.480 0.000 0.896 1409 L HN 0.048 nan 8.230 nan 0.000 0.433 1410 F N 0.861 120.660 119.950 -0.252 0.000 2.051 1410 F HA -0.229 4.297 4.527 -0.001 0.000 0.296 1410 F C 2.695 178.386 175.800 -0.181 0.000 1.122 1410 F CA 1.640 59.465 58.000 -0.291 0.000 1.201 1410 F CB -0.945 37.762 39.000 -0.489 0.000 0.978 1410 F HN 0.265 nan 8.300 nan 0.000 0.472 1411 E N 0.050 120.249 120.200 -0.002 0.000 2.338 1411 E HA -0.091 4.258 4.350 -0.001 0.000 0.197 1411 E C 1.948 178.475 176.600 -0.121 0.000 1.007 1411 E CA 1.002 57.362 56.400 -0.066 0.000 0.849 1411 E CB -0.429 29.195 29.700 -0.127 0.000 0.774 1411 E HN 0.299 nan 8.360 nan 0.000 0.506 1412 A N 1.424 124.139 122.820 -0.175 0.000 2.021 1412 A HA 0.167 4.487 4.320 -0.001 0.000 0.216 1412 A C 2.360 179.880 177.584 -0.108 0.000 1.163 1412 A CA 0.876 52.768 52.037 -0.242 0.000 0.676 1412 A CB -0.590 18.085 19.000 -0.540 0.000 0.818 1412 A HN 0.394 nan 8.150 nan 0.000 0.453 1413 G N -0.219 108.573 108.800 -0.012 0.000 2.394 1413 G HA2 0.109 4.068 3.960 -0.001 0.000 0.215 1413 G HA3 0.109 4.068 3.960 -0.001 0.000 0.215 1413 G C 1.682 176.638 174.900 0.094 0.000 1.165 1413 G CA 1.249 46.429 45.100 0.132 0.000 0.784 1413 G HN 0.656 nan 8.290 nan 0.000 0.535 1414 A N 1.181 124.041 122.820 0.067 0.000 1.824 1414 A HA 0.016 4.336 4.320 -0.001 0.000 0.215 1414 A C 2.492 179.878 177.584 -0.331 0.000 1.209 1414 A CA 2.161 54.127 52.037 -0.118 0.000 0.614 1414 A CB -0.921 18.007 19.000 -0.120 0.000 0.852 1414 A HN 0.291 nan 8.150 nan 0.000 0.447 1415 S N -0.311 115.181 115.700 -0.347 0.000 2.653 1415 S HA 0.317 4.787 4.470 -0.001 0.000 0.233 1415 S C 0.978 175.477 174.600 -0.167 0.000 0.970 1415 S CA 0.877 58.867 58.200 -0.350 0.000 0.947 1415 S CB -0.648 62.381 63.200 -0.284 0.000 0.771 1415 S HN 1.722 nan 8.310 nan 0.000 0.538 1416 A N 1.224 123.986 122.820 -0.096 0.000 2.687 1416 A HA -0.221 4.098 4.320 -0.001 0.000 0.299 1416 A C 0.166 177.720 177.584 -0.050 0.000 1.497 1416 A CA 0.572 52.587 52.037 -0.037 0.000 0.751 1416 A CB -2.001 17.018 19.000 0.031 0.000 1.048 1416 A HN 0.617 nan 8.150 nan 0.000 0.464 1417 E N -1.157 119.032 120.200 -0.018 0.000 2.417 1417 E HA 0.305 4.655 4.350 -0.001 0.000 0.261 1417 E C 0.080 176.715 176.600 0.059 0.000 1.000 1417 E CA -0.201 56.203 56.400 0.006 0.000 0.919 1417 E CB 0.587 30.274 29.700 -0.022 0.000 0.955 1417 E HN 0.589 nan 8.360 nan 0.000 0.455 1418 L N 3.880 125.103 121.223 -0.000 0.000 2.292 1418 L HA 0.164 4.503 4.340 -0.001 0.000 0.284 1418 L C -0.271 176.615 176.870 0.027 0.000 1.065 1418 L CA -0.063 54.761 54.840 -0.025 0.000 0.806 1418 L CB 1.016 43.039 42.059 -0.060 0.000 1.175 1418 L HN 0.426 nan 8.230 nan 0.000 0.431 1419 D N 3.291 123.712 120.400 0.036 0.000 2.280 1419 D HA 0.013 4.653 4.640 -0.001 0.000 0.243 1419 D C 0.254 176.561 176.300 0.011 0.000 1.129 1419 D CA -0.149 53.888 54.000 0.061 0.000 0.848 1419 D CB 1.456 42.334 40.800 0.130 0.000 1.107 1419 D HN 0.674 nan 8.370 nan 0.000 0.471 1420 D N 2.343 122.753 120.400 0.017 0.000 2.117 1420 D HA -0.148 4.491 4.640 -0.001 0.000 0.197 1420 D C 0.525 176.828 176.300 0.005 0.000 0.987 1420 D CA 0.692 54.697 54.000 0.008 0.000 0.829 1420 D CB 0.085 40.893 40.800 0.013 0.000 0.961 1420 D HN 0.611 nan 8.370 nan 0.000 0.460 1421 C N 0.126 119.433 119.300 0.011 0.000 4.614 1421 C HA -0.111 4.348 4.460 -0.001 0.000 0.300 1421 C C 1.269 176.265 174.990 0.010 0.000 1.301 1421 C CA -0.101 58.921 59.018 0.007 0.000 2.073 1421 C CB -2.284 25.453 27.740 -0.006 0.000 1.219 1421 C HN 0.403 nan 8.230 nan 0.000 0.772 1422 R N 0.094 120.604 120.500 0.017 0.000 2.446 1422 R HA 0.230 4.570 4.340 -0.001 0.000 0.254 1422 R C 1.088 177.401 176.300 0.023 0.000 0.918 1422 R CA 0.795 56.910 56.100 0.025 0.000 1.069 1422 R CB 0.432 30.753 30.300 0.036 0.000 1.194 1422 R HN 0.614 nan 8.270 nan 0.000 0.534 1423 G N 0.504 109.314 108.800 0.017 0.000 2.420 1423 G HA2 0.328 4.288 3.960 -0.001 0.000 0.284 1423 G HA3 0.328 4.288 3.960 -0.001 0.000 0.284 1423 G C 1.222 176.124 174.900 0.002 0.000 1.177 1423 G CA -0.565 44.541 45.100 0.011 0.000 0.841 1423 G HN -0.163 nan 8.290 nan 0.000 0.527 1424 V N 2.399 122.308 119.914 -0.008 0.000 2.220 1424 V HA -0.273 3.846 4.120 -0.001 0.000 0.250 1424 V C 2.999 179.090 176.094 -0.005 0.000 1.053 1424 V CA 2.611 64.902 62.300 -0.015 0.000 1.019 1424 V CB -1.182 30.627 31.823 -0.023 0.000 0.646 1424 V HN 0.706 nan 8.190 nan 0.000 0.455 1425 S N -0.655 115.047 115.700 0.003 0.000 2.428 1425 S HA -0.314 4.155 4.470 -0.001 0.000 0.240 1425 S C 1.899 176.508 174.600 0.015 0.000 1.036 1425 S CA 2.125 60.332 58.200 0.012 0.000 1.009 1425 S CB -0.452 62.763 63.200 0.025 0.000 0.803 1425 S HN 0.739 nan 8.310 nan 0.000 0.486 1426 E N 0.928 121.138 120.200 0.016 0.000 2.072 1426 E HA -0.011 4.338 4.350 -0.001 0.000 0.190 1426 E C 1.921 178.526 176.600 0.007 0.000 0.982 1426 E CA 0.826 57.237 56.400 0.019 0.000 0.803 1426 E CB -0.046 29.668 29.700 0.023 0.000 0.755 1426 E HN 0.429 nan 8.360 nan 0.000 0.453 1427 N N 0.323 119.023 118.700 -0.000 0.000 2.331 1427 N HA -0.086 4.654 4.740 -0.001 0.000 0.180 1427 N C 1.867 177.372 175.510 -0.009 0.000 1.019 1427 N CA 0.603 53.648 53.050 -0.008 0.000 0.881 1427 N CB 0.030 38.508 38.487 -0.014 0.000 0.972 1427 N HN 0.014 nan 8.380 nan 0.000 0.435 1428 V N 2.287 122.197 119.914 -0.006 0.000 2.255 1428 V HA -0.199 3.921 4.120 -0.001 0.000 0.247 1428 V C 2.346 178.438 176.094 -0.002 0.000 1.051 1428 V CA 1.335 63.631 62.300 -0.006 0.000 1.018 1428 V CB -0.419 31.402 31.823 -0.004 0.000 0.641 1428 V HN 0.189 nan 8.190 nan 0.000 0.445 1429 I N -0.560 120.012 120.570 0.004 0.000 2.208 1429 I HA -0.255 3.915 4.170 -0.001 0.000 0.245 1429 I C 2.090 178.208 176.117 0.002 0.000 1.097 1429 I CA 1.650 62.955 61.300 0.007 0.000 1.363 1429 I CB -0.253 37.757 38.000 0.017 0.000 1.051 1429 I HN 0.249 nan 8.210 nan 0.000 0.413 1430 L N 0.557 121.779 121.223 -0.002 0.000 2.599 1430 L HA 0.146 4.485 4.340 -0.001 0.000 0.230 1430 L C 1.239 178.104 176.870 -0.009 0.000 1.141 1430 L CA 0.272 55.108 54.840 -0.007 0.000 0.877 1430 L CB -0.431 41.620 42.059 -0.012 0.000 1.009 1430 L HN 0.480 nan 8.230 nan 0.000 0.447 1431 G N 0.868 109.663 108.800 -0.008 0.000 2.314 1431 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.292 1431 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.292 1431 G C -0.087 174.805 174.900 -0.013 0.000 1.059 1431 G CA 0.169 45.263 45.100 -0.010 0.000 0.982 1431 G HN 0.464 nan 8.290 nan 0.000 0.505 1432 Q N -1.255 118.535 119.800 -0.016 0.000 2.484 1432 Q HA 0.635 4.975 4.340 -0.001 0.000 0.285 1432 Q C 0.244 176.229 176.000 -0.026 0.000 1.097 1432 Q CA -1.073 54.718 55.803 -0.020 0.000 0.802 1432 Q CB 1.568 30.295 28.738 -0.019 0.000 1.444 1432 Q HN 0.343 nan 8.270 nan 0.000 0.429 1433 M N 1.826 121.406 119.600 -0.033 0.000 2.194 1433 M HA 0.353 4.833 4.480 -0.001 0.000 0.347 1433 M C -0.682 175.588 176.300 -0.050 0.000 1.439 1433 M CA -0.182 55.091 55.300 -0.045 0.000 1.131 1433 M CB 0.372 32.939 32.600 -0.056 0.000 1.733 1433 M HN 0.801 nan 8.290 nan 0.000 0.467 1434 A N 7.301 130.091 122.820 -0.050 0.000 2.407 1434 A HA 0.457 4.777 4.320 -0.001 0.000 0.248 1434 A C -2.383 175.163 177.584 -0.062 0.000 1.082 1434 A CA -1.271 50.737 52.037 -0.047 0.000 0.785 1434 A CB -0.495 18.480 19.000 -0.043 0.000 1.020 1434 A HN 0.599 nan 8.150 nan 0.000 0.489 1435 P HA 0.277 nan 4.420 nan 0.000 0.262 1435 P C -0.978 176.280 177.300 -0.070 0.000 1.455 1435 P CA 0.893 63.964 63.100 -0.048 0.000 1.217 1435 P CB -0.336 31.361 31.700 -0.004 0.000 1.625 1436 I N 1.440 121.954 120.570 -0.093 0.000 2.667 1436 I HA 0.215 4.385 4.170 -0.001 0.000 0.288 1436 I C 1.290 177.348 176.117 -0.099 0.000 1.267 1436 I CA -0.624 60.619 61.300 -0.095 0.000 1.055 1436 I CB 2.048 40.001 38.000 -0.079 0.000 1.294 1436 I HN 0.430 nan 8.210 nan 0.000 0.429 1437 G N 4.665 113.417 108.800 -0.081 0.000 2.740 1437 G HA2 -0.436 3.524 3.960 -0.001 0.000 0.365 1437 G HA3 -0.436 3.524 3.960 -0.001 0.000 0.365 1437 G C 1.041 175.906 174.900 -0.059 0.000 1.135 1437 G CA 1.767 46.848 45.100 -0.031 0.000 0.948 1437 G HN 0.537 nan 8.290 nan 0.000 0.629 1438 T N 1.193 115.682 114.554 -0.108 0.000 2.792 1438 T HA -0.037 4.312 4.350 -0.001 0.000 0.268 1438 T C 2.136 176.502 174.700 -0.557 0.000 1.059 1438 T CA 2.434 64.380 62.100 -0.258 0.000 1.136 1438 T CB -0.475 68.311 68.868 -0.137 0.000 0.846 1438 T HN 1.166 nan 8.240 nan 0.000 0.489 1439 G N -0.364 108.212 108.800 -0.374 0.000 3.044 1439 G HA2 0.403 4.363 3.960 -0.001 0.000 0.223 1439 G HA3 0.403 4.363 3.960 -0.001 0.000 0.223 1439 G C 1.602 176.343 174.900 -0.265 0.000 1.123 1439 G CA 0.543 45.445 45.100 -0.330 0.000 0.765 1439 G HN 0.504 nan 8.290 nan 0.000 0.546 1440 A N 0.563 123.267 122.820 -0.195 0.000 2.032 1440 A HA 0.222 4.541 4.320 -0.001 0.000 0.221 1440 A C 1.076 178.793 177.584 0.222 0.000 1.165 1440 A CA 1.302 53.373 52.037 0.058 0.000 0.645 1440 A CB -0.512 18.589 19.000 0.167 0.000 0.807 1440 A HN 0.629 nan 8.150 nan 0.000 0.453 1441 F N -3.259 116.776 119.950 0.142 0.000 2.846 1441 F HA 0.841 5.367 4.527 -0.001 0.000 0.388 1441 F C -0.472 175.351 175.800 0.038 0.000 1.259 1441 F CA -1.684 56.368 58.000 0.088 0.000 1.118 1441 F CB 0.554 39.592 39.000 0.065 0.000 1.512 1441 F HN -0.125 nan 8.300 nan 0.000 0.502 1442 D N -0.297 120.309 120.400 0.345 0.000 2.661 1442 D HA 0.559 5.198 4.640 -0.001 0.000 0.228 1442 D C -1.719 174.733 176.300 0.252 0.000 1.183 1442 D CA -0.237 53.867 54.000 0.173 0.000 0.844 1442 D CB 3.123 43.980 40.800 0.094 0.000 1.555 1442 D HN 0.425 nan 8.370 nan 0.000 0.453 1443 V N 3.212 123.220 119.914 0.156 0.000 2.540 1443 V HA 0.549 4.669 4.120 -0.001 0.000 0.302 1443 V C -0.124 176.012 176.094 0.070 0.000 1.035 1443 V CA -0.383 61.996 62.300 0.132 0.000 0.873 1443 V CB 1.690 33.604 31.823 0.152 0.000 0.992 1443 V HN 0.526 nan 8.190 nan 0.000 0.428 1444 M N 4.136 123.766 119.600 0.051 0.000 2.619 1444 M HA 0.461 4.941 4.480 -0.001 0.000 0.297 1444 M C 0.768 177.083 176.300 0.025 0.000 1.229 1444 M CA -0.633 54.687 55.300 0.033 0.000 0.860 1444 M CB 2.398 35.013 32.600 0.026 0.000 1.741 1444 M HN 0.679 nan 8.290 nan 0.000 0.462 1445 I N -1.060 119.522 120.570 0.021 0.000 2.233 1445 I HA 0.110 4.279 4.170 -0.001 0.000 0.243 1445 I C 0.233 176.357 176.117 0.013 0.000 1.093 1445 I CA 0.510 61.821 61.300 0.018 0.000 1.380 1445 I CB -0.444 37.567 38.000 0.018 0.000 1.067 1445 I HN 0.862 nan 8.210 nan 0.000 0.413 1446 D N 1.335 121.741 120.400 0.010 0.000 10.092 1446 D HA -0.212 4.427 4.640 -0.001 0.000 0.312 1446 D C -0.708 175.596 176.300 0.007 0.000 2.843 1446 D CA 0.680 54.684 54.000 0.007 0.000 2.551 1446 D CB -0.013 40.788 40.800 0.003 0.000 1.086 1446 D HN 0.573 nan 8.370 nan 0.000 0.830 1447 E N 3.563 123.767 120.200 0.006 0.000 1.964 1447 E HA 0.340 4.689 4.350 -0.001 0.000 0.264 1447 E C -0.134 176.468 176.600 0.005 0.000 1.120 1447 E CA -0.057 56.347 56.400 0.006 0.000 1.061 1447 E CB 0.455 30.159 29.700 0.006 0.000 1.190 1447 E HN 0.476 nan 8.360 nan 0.000 0.459 1448 E N 1.067 121.270 120.200 0.004 0.000 7.594 1448 E HA -0.154 4.196 4.350 -0.001 0.000 0.456 1448 E C -1.033 175.568 176.600 0.001 0.000 0.371 1448 E CA 0.275 56.677 56.400 0.003 0.000 0.673 1448 E CB -0.233 29.469 29.700 0.004 0.000 0.967 1448 E HN 0.488 nan 8.360 nan 0.000 0.264 1449 S N 0.000 115.700 115.700 0.000 0.000 2.498 1449 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 1449 S CA 0.000 58.200 58.200 0.001 0.000 1.107 1449 S CB 0.000 63.201 63.200 0.001 0.000 0.593 1449 S HN 0.000 nan 8.310 nan 0.000 0.517