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 1sfo_1_A DATA FIRST_RESID 3 DATA SEQUENCE GQQYSSAPLR TVKEVQFGLF SPEEVRAISV AKIRFPETMD ETQTRAKIGG DATA SEQUENCE LNDPRLGSID RNLKcQTCQE GMNEcPGHFG HIDLAKPVFH VGFIAKIKKV DATA SEQUENCE CECVCMHCGK LLLDEHNELM RQALAIKDSK KRFAAIWTLC KTKMVCETDV DATA SEQUENCE PSXXXXXXLV SRGGCGNTQP TIRKDGLKLV GSWKXXXXXX XXXXXXLRVL DATA SEQUENCE STEEILNIFK HISVKDFTSL GFNEVFSRPE WMILTCLPVP PPPVRPSISF DATA SEQUENCE NESQRGEDDL TFKLADILKA NISLETLEHN GAPHHAIEEA ESLLQFHVAT DATA SEQUENCE YMDNDIAGQP QALQKSGRPV KSIRARLKGK EGRIRGNLMG KRVDFSARTV DATA SEQUENCE ISGDPNLELD QVGVPKSIAK TLTYPEVVTP YNIDRLTQLV RNGPNEHPGA DATA SEQUENCE KYVIRDSGDR IDLRYSKRAG DIQLQYGWKV ERHIMDNDPV LFNRQPSLHK DATA SEQUENCE MSMMAHRVKV IPYSTFRLNL SVTSPYNADF DGDEMNLHVP QSEETRAELS DATA SEQUENCE QLCAVPLQIV SPQSNKPCMG IVQDTLCGIR KLTLRDTFIE LDQVLNMLYW DATA SEQUENCE VPDWDGVIPT PAIIKPKPLW SGKQILSVAI PNGIHLQRFD EGTTLLSPKD DATA SEQUENCE NGMLIIDGQI IFGVVEKKTV GSSNGGLIHV VTREKGPQVC AKLFGNIQKV DATA SEQUENCE VNFWLLHNGF STGIGDTIAD GPTMREITET IAEAKKKVLD VTKEAQANLL DATA SEQUENCE TAKHGMTLRE SFEDNVVRFL NEARDKAGRL AEVNLKDLNN VKQMVMAGSK DATA SEQUENCE GSFINIAQMS ACVGQQSVEG KRIAFGFVDR TLPHFSKDDY SPESKGFVEN DATA SEQUENCE SYLRGLTPQE FFFHAMGGRE GLIDTAVKTA ETGYIQRRLV KALEDIMVHY DATA SEQUENCE DNTTRNSLGN VIQFIYGEDG MDAAHIEKQS LDTIGGSDAA FEKRYRVDLL DATA SEQUENCE NTDHTLDPSL LESGSEILGD LKLQVLLDEE YKQLVKDRKF LREVFVDGEA DATA SEQUENCE NWPLPVNIRR IIQNAQQTFH IDHTKPSDLT IKDIVLGVKD LQENLLVLRG DATA SEQUENCE KNEIIQNAQR DAVTLFCCLL RSRLATRRVL QEYRLTKQAF DWVLSNIEAQ DATA SEQUENCE FLRSVVHPGE MVGVLAAQSI GEPATQMTLX XXXXXXXXXK KVTSGVPRLK DATA SEQUENCE EILNVAKNMK TPSLTVYLEP GHAADQEQAK LIRSAIEHTT LKSVTIASEI DATA SEQUENCE YYDPDPRSTV IPEDEEIIQL HFSLXXXXXX XXXXQQSPWL LRLELDRAAM DATA SEQUENCE NDKDLTMGQV GERIKQTFKN DLFVIWSEDN DEKLIIRCRV VXXXXXXXXX DATA SEQUENCE XAEEDHMLKK IENTMLENIT LRGVENIERV VMMKYDRKVP SPTGEYVKEP DATA SEQUENCE EWVLETDGVN LSEVMTVPGI DPTRIYTNSF IDIMEVLGIE AGRAALYKEV DATA SEQUENCE YNVIASDGSY VNYRHMALLV DVMTTQGGLT SVTRHGFNRS NTGALMRCSF DATA SEQUENCE EETVEILFEA GASAELDDCR GVSENVILGQ MAPIGTGAFD VMI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.957 3.960 -0.006 0.000 0.244 3 G C 0.000 174.903 174.900 0.005 0.000 0.946 3 G CA 0.000 45.100 45.100 0.001 0.000 0.502 4 Q N 0.026 119.836 119.800 0.017 0.000 2.605 4 Q HA 0.489 4.826 4.340 -0.006 0.000 0.296 4 Q C -0.212 175.811 176.000 0.038 0.000 1.056 4 Q CA -0.900 54.916 55.803 0.022 0.000 0.778 4 Q CB 1.657 30.410 28.738 0.025 0.000 1.497 4 Q HN 0.294 nan 8.270 nan 0.000 0.443 5 Q N -0.143 119.684 119.800 0.045 0.000 2.870 5 Q HA 0.033 4.370 4.340 -0.006 0.000 0.193 5 Q C -0.691 175.400 176.000 0.152 0.000 1.148 5 Q CA 0.158 56.003 55.803 0.069 0.000 1.212 5 Q CB 0.012 28.783 28.738 0.055 0.000 1.290 5 Q HN 0.432 nan 8.270 nan 0.000 0.686 6 Y N 0.101 120.403 120.300 0.003 0.000 2.301 6 Y HA 0.204 4.751 4.550 -0.005 0.000 0.328 6 Y C 0.204 176.107 175.900 0.005 0.000 1.242 6 Y CA -0.478 57.624 58.100 0.004 0.000 1.323 6 Y CB 1.423 39.886 38.460 0.005 0.000 1.266 6 Y HN 0.523 nan 8.280 nan 0.000 0.527 7 S N 0.476 116.231 115.700 0.092 0.000 2.634 7 S HA 0.479 4.946 4.470 -0.006 0.000 0.296 7 S C 0.410 174.987 174.600 -0.038 0.000 1.104 7 S CA -0.057 58.165 58.200 0.036 0.000 0.920 7 S CB 1.148 64.350 63.200 0.004 0.000 1.111 7 S HN 0.678 nan 8.310 nan 0.000 0.493 8 S N 2.424 118.113 115.700 -0.017 0.000 2.404 8 S HA 0.353 4.820 4.470 -0.006 0.000 0.223 8 S C 1.233 175.799 174.600 -0.057 0.000 1.040 8 S CA 0.337 58.513 58.200 -0.040 0.000 0.957 8 S CB -1.181 62.017 63.200 -0.004 0.000 0.826 8 S HN 1.295 nan 8.310 nan 0.000 0.491 9 A N 3.689 126.489 122.820 -0.034 0.000 2.614 9 A HA 0.414 4.730 4.320 -0.006 0.000 0.231 9 A C -1.897 175.658 177.584 -0.048 0.000 1.076 9 A CA -0.286 51.733 52.037 -0.031 0.000 0.767 9 A CB -0.796 18.193 19.000 -0.017 0.000 1.012 9 A HN 0.434 nan 8.150 nan 0.000 0.512 10 P HA 0.636 nan 4.420 nan 0.000 0.338 10 P C -1.195 176.083 177.300 -0.036 0.000 1.273 10 P CA -0.721 62.352 63.100 -0.045 0.000 0.778 10 P CB 0.549 32.227 31.700 -0.036 0.000 1.452 11 L N -0.317 120.886 121.223 -0.034 0.000 2.372 11 L HA 0.608 4.945 4.340 -0.006 0.000 0.273 11 L C -0.770 176.088 176.870 -0.021 0.000 0.989 11 L CA -0.157 54.667 54.840 -0.027 0.000 0.841 11 L CB 0.992 43.034 42.059 -0.028 0.000 1.225 11 L HN 0.151 nan 8.230 nan 0.000 0.414 12 R N 1.989 122.477 120.500 -0.019 0.000 2.854 12 R HA 0.762 5.099 4.340 -0.006 0.000 0.271 12 R C -0.556 175.733 176.300 -0.019 0.000 0.996 12 R CA -0.648 55.441 56.100 -0.018 0.000 0.961 12 R CB 2.188 32.477 30.300 -0.018 0.000 1.182 12 R HN 0.585 nan 8.270 nan 0.000 0.479 13 T N 0.618 115.162 114.554 -0.018 0.000 2.918 13 T HA 0.356 4.703 4.350 -0.006 0.000 0.283 13 T C -0.320 174.366 174.700 -0.024 0.000 1.001 13 T CA -0.611 61.477 62.100 -0.019 0.000 1.041 13 T CB 1.143 70.002 68.868 -0.015 0.000 1.028 13 T HN 0.138 nan 8.240 nan 0.000 0.511 14 V N 3.601 123.498 119.914 -0.028 0.000 2.546 14 V HA 0.338 4.455 4.120 -0.006 0.000 0.284 14 V C 0.808 176.881 176.094 -0.034 0.000 1.050 14 V CA -0.285 61.992 62.300 -0.037 0.000 0.981 14 V CB 1.188 32.984 31.823 -0.045 0.000 0.990 14 V HN 0.827 nan 8.190 nan 0.000 0.474 15 K N 1.935 122.313 120.400 -0.037 0.000 2.538 15 K HA 0.397 4.713 4.320 -0.006 0.000 0.215 15 K C 0.082 176.660 176.600 -0.036 0.000 1.345 15 K CA 0.037 56.306 56.287 -0.029 0.000 0.985 15 K CB 1.593 34.081 32.500 -0.020 0.000 1.116 15 K HN 0.690 nan 8.250 nan 0.000 0.582 16 E N 0.890 121.058 120.200 -0.054 0.000 2.321 16 E HA 0.387 4.733 4.350 -0.006 0.000 0.278 16 E C -1.490 175.036 176.600 -0.124 0.000 0.902 16 E CA -0.603 55.756 56.400 -0.069 0.000 0.758 16 E CB 3.179 32.848 29.700 -0.052 0.000 1.213 16 E HN -0.264 nan 8.360 nan 0.000 0.426 17 V N 2.900 122.715 119.914 -0.165 0.000 2.525 17 V HA 0.192 4.308 4.120 -0.006 0.000 0.299 17 V C -0.759 175.096 176.094 -0.398 0.000 1.034 17 V CA -0.666 61.451 62.300 -0.305 0.000 0.863 17 V CB 1.832 33.454 31.823 -0.334 0.000 0.999 17 V HN 0.503 nan 8.190 nan 0.000 0.423 18 Q N 4.462 123.982 119.800 -0.467 0.000 2.563 18 Q HA 0.458 4.794 4.340 -0.006 0.000 0.232 18 Q C -0.572 175.114 176.000 -0.523 0.000 1.106 18 Q CA -0.389 55.150 55.803 -0.440 0.000 0.913 18 Q CB 0.346 28.791 28.738 -0.489 0.000 1.175 18 Q HN 0.570 nan 8.270 nan 0.000 0.540 19 F N 0.313 120.178 119.950 -0.142 0.000 2.586 19 F HA 0.413 4.936 4.527 -0.006 0.000 0.335 19 F C 1.575 177.287 175.800 -0.147 0.000 1.210 19 F CA 1.531 59.451 58.000 -0.134 0.000 1.359 19 F CB 0.784 39.738 39.000 -0.076 0.000 1.142 19 F HN 0.531 nan 8.300 nan 0.000 0.606 20 G N 0.808 109.644 108.800 0.059 0.000 2.315 20 G HA2 0.406 4.362 3.960 -0.006 0.000 0.294 20 G HA3 0.406 4.362 3.960 -0.006 0.000 0.294 20 G C -1.988 172.883 174.900 -0.049 0.000 1.300 20 G CA -1.086 44.016 45.100 0.003 0.000 0.843 20 G HN 0.543 nan 8.290 nan 0.000 0.527 21 L N -0.836 120.368 121.223 -0.033 0.000 2.235 21 L HA 0.620 4.957 4.340 -0.006 0.000 0.260 21 L C -0.641 176.000 176.870 -0.382 0.000 1.025 21 L CA -0.983 53.802 54.840 -0.092 0.000 0.836 21 L CB 2.191 44.380 42.059 0.216 0.000 1.395 21 L HN 0.521 nan 8.230 nan 0.000 0.443 22 F N 0.951 120.801 119.950 -0.165 0.000 2.335 22 F HA 0.145 4.669 4.527 -0.006 0.000 0.365 22 F C 0.520 175.962 175.800 -0.596 0.000 1.122 22 F CA -0.768 57.036 58.000 -0.325 0.000 1.151 22 F CB 1.282 40.214 39.000 -0.113 0.000 1.282 22 F HN 0.400 nan 8.300 nan 0.000 0.513 23 S N 5.185 120.505 115.700 -0.633 0.000 2.505 23 S HA 0.133 4.599 4.470 -0.006 0.000 0.276 23 S C -1.642 172.875 174.600 -0.138 0.000 1.274 23 S CA -1.325 56.419 58.200 -0.759 0.000 1.053 23 S CB 1.063 63.874 63.200 -0.649 0.000 0.919 23 S HN 0.426 nan 8.310 nan 0.000 0.490 24 P HA -0.191 nan 4.420 nan 0.000 0.217 24 P C 1.216 178.522 177.300 0.011 0.000 1.148 24 P CA 1.182 64.300 63.100 0.029 0.000 0.828 24 P CB 0.173 31.939 31.700 0.109 0.000 0.783 25 E N 0.333 120.570 120.200 0.062 0.000 2.110 25 E HA -0.266 4.080 4.350 -0.006 0.000 0.225 25 E C 2.155 178.760 176.600 0.008 0.000 1.063 25 E CA 2.145 58.585 56.400 0.066 0.000 0.906 25 E CB -0.453 29.321 29.700 0.124 0.000 0.795 25 E HN 0.324 nan 8.360 nan 0.000 0.479 26 E N -0.623 119.576 120.200 -0.002 0.000 2.017 26 E HA -0.189 4.157 4.350 -0.006 0.000 0.193 26 E C 2.243 178.782 176.600 -0.101 0.000 0.997 26 E CA 1.388 57.783 56.400 -0.009 0.000 0.804 26 E CB -0.102 29.649 29.700 0.086 0.000 0.757 26 E HN 0.120 nan 8.360 nan 0.000 0.448 27 V N 2.006 121.787 119.914 -0.222 0.000 2.257 27 V HA -0.365 3.751 4.120 -0.006 0.000 0.257 27 V C 2.222 178.198 176.094 -0.197 0.000 1.077 27 V CA 2.613 64.719 62.300 -0.322 0.000 1.063 27 V CB -0.905 30.738 31.823 -0.300 0.000 0.664 27 V HN 0.366 nan 8.190 nan 0.000 0.450 28 R N 0.410 120.803 120.500 -0.179 0.000 2.310 28 R HA 0.377 4.714 4.340 -0.006 0.000 0.202 28 R C 1.991 178.152 176.300 -0.232 0.000 0.933 28 R CA 0.836 56.727 56.100 -0.348 0.000 1.054 28 R CB -0.282 29.866 30.300 -0.253 0.000 0.985 28 R HN 0.476 nan 8.270 nan 0.000 0.489 29 A N 1.770 124.512 122.820 -0.129 0.000 1.903 29 A HA 0.063 4.380 4.320 -0.006 0.000 0.213 29 A C 1.986 179.527 177.584 -0.071 0.000 1.185 29 A CA 0.440 52.433 52.037 -0.073 0.000 0.628 29 A CB -0.172 18.812 19.000 -0.027 0.000 0.830 29 A HN 0.287 nan 8.150 nan 0.000 0.446 30 I N 0.302 120.827 120.570 -0.076 0.000 2.928 30 I HA -0.040 4.127 4.170 -0.006 0.000 0.266 30 I C 1.458 177.557 176.117 -0.029 0.000 1.234 30 I CA 0.674 61.947 61.300 -0.044 0.000 1.483 30 I CB -0.001 37.971 38.000 -0.047 0.000 1.097 30 I HN 0.433 nan 8.210 nan 0.000 0.455 31 S N -0.685 114.962 115.700 -0.088 0.000 2.661 31 S HA 0.260 4.726 4.470 -0.006 0.000 0.265 31 S C 0.727 175.319 174.600 -0.013 0.000 1.225 31 S CA 0.103 58.285 58.200 -0.030 0.000 0.986 31 S CB 1.839 64.999 63.200 -0.067 0.000 1.008 31 S HN 0.131 nan 8.310 nan 0.000 0.565 32 V N -2.377 117.574 119.914 0.061 0.000 3.264 32 V HA 0.503 4.620 4.120 -0.006 0.000 0.262 32 V C 1.074 177.232 176.094 0.107 0.000 1.616 32 V CA 0.070 62.409 62.300 0.064 0.000 1.033 32 V CB -1.192 30.680 31.823 0.082 0.000 0.865 32 V HN 1.020 nan 8.190 nan 0.000 0.420 33 A N 1.287 124.210 122.820 0.171 0.000 2.325 33 A HA 0.621 4.937 4.320 -0.006 0.000 0.260 33 A C 0.979 178.739 177.584 0.292 0.000 1.133 33 A CA 1.019 53.174 52.037 0.197 0.000 0.801 33 A CB 0.558 19.662 19.000 0.173 0.000 1.092 33 A HN 0.519 nan 8.150 nan 0.000 0.504 34 K N -1.647 118.841 120.400 0.146 0.000 3.019 34 K HA 0.249 4.566 4.320 -0.006 0.000 0.192 34 K C -0.478 176.090 176.600 -0.053 0.000 1.680 34 K CA 0.172 56.514 56.287 0.091 0.000 1.375 34 K CB 0.370 32.930 32.500 0.099 0.000 1.968 34 K HN 0.407 nan 8.250 nan 0.000 0.624 35 I N 2.659 123.224 120.570 -0.007 0.000 6.214 35 I HA -0.306 3.861 4.170 -0.006 0.000 0.126 35 I C 0.490 176.603 176.117 -0.006 0.000 1.821 35 I CA 0.736 62.021 61.300 -0.024 0.000 2.045 35 I CB -2.069 35.869 38.000 -0.103 0.000 3.452 35 I HN 0.356 nan 8.210 nan 0.000 0.172 36 R N -0.121 120.427 120.500 0.079 0.000 2.189 36 R HA 0.056 4.393 4.340 -0.006 0.000 0.218 36 R C 0.250 176.500 176.300 -0.084 0.000 1.074 36 R CA 1.150 57.262 56.100 0.020 0.000 0.991 36 R CB 0.093 30.432 30.300 0.064 0.000 0.883 36 R HN 0.247 nan 8.270 nan 0.000 0.457 37 F N 0.303 120.220 119.950 -0.055 0.000 2.546 37 F HA 0.304 4.828 4.527 -0.005 0.000 0.320 37 F C -1.644 174.117 175.800 -0.065 0.000 1.076 37 F CA -3.197 54.770 58.000 -0.055 0.000 0.928 37 F CB 1.532 40.505 39.000 -0.044 0.000 1.189 37 F HN -0.245 nan 8.300 nan 0.000 0.465 38 P HA 0.089 nan 4.420 nan 0.000 0.255 38 P C -0.577 176.717 177.300 -0.009 0.000 1.427 38 P CA 0.440 63.536 63.100 -0.007 0.000 0.863 38 P CB 0.180 31.847 31.700 -0.054 0.000 1.444 39 E N -1.109 119.109 120.200 0.031 0.000 2.259 39 E HA 0.323 4.670 4.350 -0.006 0.000 0.257 39 E C 0.899 177.498 176.600 -0.003 0.000 0.998 39 E CA -0.552 55.849 56.400 0.001 0.000 0.866 39 E CB 0.964 30.673 29.700 0.014 0.000 1.220 39 E HN -0.178 nan 8.360 nan 0.000 0.415 40 T N -0.054 114.494 114.554 -0.010 0.000 2.904 40 T HA 0.061 4.407 4.350 -0.006 0.000 0.243 40 T C 1.121 175.813 174.700 -0.013 0.000 1.024 40 T CA 0.946 63.043 62.100 -0.005 0.000 1.158 40 T CB 0.115 68.989 68.868 0.010 0.000 0.867 40 T HN 0.376 nan 8.240 nan 0.000 0.429 41 M N -0.661 118.929 119.600 -0.017 0.000 1.869 41 M HA 0.273 4.749 4.480 -0.006 0.000 0.287 41 M C -0.786 175.493 176.300 -0.034 0.000 1.017 41 M CA -0.116 55.167 55.300 -0.027 0.000 1.077 41 M CB 0.930 33.517 32.600 -0.021 0.000 1.989 41 M HN -0.148 nan 8.290 nan 0.000 0.694 42 D N 4.469 124.853 120.400 -0.027 0.000 2.346 42 D HA 0.083 4.720 4.640 -0.006 0.000 0.260 42 D C -0.291 175.984 176.300 -0.042 0.000 1.252 42 D CA 0.421 54.404 54.000 -0.030 0.000 0.895 42 D CB 0.573 41.362 40.800 -0.019 0.000 1.097 42 D HN 0.406 nan 8.370 nan 0.000 0.489 43 E N 0.255 120.422 120.200 -0.053 0.000 2.113 43 E HA 0.227 4.573 4.350 -0.006 0.000 0.273 43 E C 0.039 176.612 176.600 -0.045 0.000 0.924 43 E CA -0.814 55.545 56.400 -0.068 0.000 0.764 43 E CB 0.568 30.207 29.700 -0.102 0.000 1.104 43 E HN 0.270 nan 8.360 nan 0.000 0.406 44 T N 1.696 116.230 114.554 -0.034 0.000 3.490 44 T HA -0.359 3.987 4.350 -0.006 0.000 0.380 44 T C 0.569 175.258 174.700 -0.019 0.000 0.766 44 T CA 1.561 63.648 62.100 -0.023 0.000 1.878 44 T CB -1.771 67.085 68.868 -0.021 0.000 1.775 44 T HN 0.933 nan 8.240 nan 0.000 0.663 45 Q N -2.755 117.034 119.800 -0.018 0.000 2.476 45 Q HA -0.158 4.179 4.340 -0.006 0.000 0.154 45 Q C 0.250 176.240 176.000 -0.017 0.000 0.560 45 Q CA 1.333 57.128 55.803 -0.014 0.000 1.285 45 Q CB -2.235 26.497 28.738 -0.010 0.000 1.065 45 Q HN 0.778 nan 8.270 nan 0.000 1.065 46 T N 1.938 116.479 114.554 -0.023 0.000 2.778 46 T HA 0.113 4.460 4.350 -0.006 0.000 0.282 46 T C 0.082 174.767 174.700 -0.026 0.000 0.983 46 T CA 0.508 62.592 62.100 -0.026 0.000 1.193 46 T CB 0.170 69.017 68.868 -0.034 0.000 0.938 46 T HN 0.092 nan 8.240 nan 0.000 0.523 47 R N 2.235 122.722 120.500 -0.021 0.000 2.229 47 R HA 0.645 4.982 4.340 -0.006 0.000 0.328 47 R C 0.172 176.459 176.300 -0.022 0.000 1.009 47 R CA 0.105 56.193 56.100 -0.020 0.000 0.864 47 R CB 0.712 31.003 30.300 -0.014 0.000 1.085 47 R HN 0.840 nan 8.270 nan 0.000 0.453 48 A N 2.906 125.711 122.820 -0.024 0.000 5.813 48 A HA 0.284 4.601 4.320 -0.006 0.000 0.186 48 A C -0.822 176.746 177.584 -0.027 0.000 0.898 48 A CA -0.692 51.331 52.037 -0.025 0.000 0.822 48 A CB 0.423 19.407 19.000 -0.028 0.000 2.156 48 A HN 0.534 nan 8.150 nan 0.000 1.053 49 K N -0.594 119.788 120.400 -0.030 0.000 3.956 49 K HA 0.782 5.098 4.320 -0.006 0.000 0.194 49 K C -0.347 176.227 176.600 -0.044 0.000 1.153 49 K CA 0.586 56.855 56.287 -0.031 0.000 1.676 49 K CB 0.192 32.678 32.500 -0.023 0.000 2.322 49 K HN 1.373 nan 8.250 nan 0.000 0.493 50 I N -3.298 117.244 120.570 -0.047 0.000 1.583 50 I HA -0.108 4.058 4.170 -0.006 0.000 0.312 50 I C 0.539 176.625 176.117 -0.051 0.000 3.174 50 I CA -0.420 60.836 61.300 -0.073 0.000 1.050 50 I CB -0.438 37.484 38.000 -0.131 0.000 2.555 50 I HN 0.512 nan 8.210 nan 0.000 0.693 51 G N 2.364 111.120 108.800 -0.073 0.000 2.605 51 G HA2 -0.004 3.953 3.960 -0.006 0.000 0.222 51 G HA3 -0.004 3.953 3.960 -0.006 0.000 0.222 51 G C 0.966 175.905 174.900 0.065 0.000 1.092 51 G CA 1.417 46.507 45.100 -0.017 0.000 0.730 51 G HN 1.228 nan 8.290 nan 0.000 0.588 52 G N -0.286 108.541 108.800 0.046 0.000 2.751 52 G HA2 0.349 4.306 3.960 -0.006 0.000 0.187 52 G HA3 0.349 4.306 3.960 -0.006 0.000 0.187 52 G C 0.565 175.502 174.900 0.062 0.000 1.733 52 G CA -0.245 44.941 45.100 0.144 0.000 0.898 52 G HN 0.273 nan 8.290 nan 0.000 0.408 53 L N 0.552 121.793 121.223 0.031 0.000 2.569 53 L HA 0.166 4.503 4.340 -0.006 0.000 0.247 53 L C 0.347 177.211 176.870 -0.010 0.000 1.135 53 L CA -0.266 54.574 54.840 -0.001 0.000 0.812 53 L CB 0.464 42.517 42.059 -0.009 0.000 1.431 53 L HN 0.727 nan 8.230 nan 0.000 0.499 54 N N 1.052 119.738 118.700 -0.022 0.000 2.903 54 N HA -0.284 4.453 4.740 -0.006 0.000 0.296 54 N C -0.376 175.118 175.510 -0.026 0.000 1.037 54 N CA 1.525 54.556 53.050 -0.031 0.000 0.841 54 N CB -0.640 37.828 38.487 -0.032 0.000 0.958 54 N HN 0.834 nan 8.380 nan 0.000 0.605 55 D N -1.742 118.647 120.400 -0.017 0.000 4.260 55 D HA -0.085 4.552 4.640 -0.006 0.000 0.229 55 D C -2.215 174.098 176.300 0.021 0.000 0.393 55 D CA 0.030 54.029 54.000 -0.002 0.000 0.659 55 D CB -1.305 39.490 40.800 -0.008 0.000 1.603 55 D HN 0.321 nan 8.370 nan 0.000 0.170 56 P HA -0.036 nan 4.420 nan 0.000 0.142 56 P C -0.345 176.985 177.300 0.049 0.000 1.110 56 P CA 1.416 64.536 63.100 0.032 0.000 0.901 56 P CB -0.525 31.197 31.700 0.036 0.000 1.666 57 R N -4.221 116.316 120.500 0.061 0.000 1.920 57 R HA 0.007 4.344 4.340 -0.006 0.000 0.327 57 R C -0.289 176.117 176.300 0.177 0.000 0.345 57 R CA -0.244 55.908 56.100 0.087 0.000 1.282 57 R CB -1.073 29.271 30.300 0.073 0.000 1.636 57 R HN 0.181 nan 8.270 nan 0.000 0.396 58 L N 1.512 122.808 121.223 0.122 0.000 2.295 58 L HA 0.486 4.823 4.340 -0.006 0.000 0.285 58 L C 1.377 178.235 176.870 -0.019 0.000 1.035 58 L CA -0.105 54.772 54.840 0.063 0.000 0.806 58 L CB 1.398 43.450 42.059 -0.012 0.000 1.214 58 L HN 0.218 nan 8.230 nan 0.000 0.426 59 G N 2.550 111.271 108.800 -0.133 0.000 4.312 59 G HA2 -0.060 3.897 3.960 -0.006 0.000 0.457 59 G HA3 -0.060 3.897 3.960 -0.006 0.000 0.457 59 G C 0.302 175.172 174.900 -0.050 0.000 1.344 59 G CA 0.249 45.289 45.100 -0.099 0.000 0.917 59 G HN 0.733 nan 8.290 nan 0.000 0.642 60 S N -0.944 114.734 115.700 -0.037 0.000 3.565 60 S HA 0.766 5.233 4.470 -0.006 0.000 0.242 60 S C 0.876 175.456 174.600 -0.032 0.000 1.023 60 S CA -0.295 57.888 58.200 -0.028 0.000 1.300 60 S CB 1.182 64.374 63.200 -0.014 0.000 1.198 60 S HN 0.554 nan 8.310 nan 0.000 0.697 61 I N -0.475 120.080 120.570 -0.025 0.000 2.794 61 I HA 0.239 4.406 4.170 -0.006 0.000 0.300 61 I C -0.462 175.642 176.117 -0.022 0.000 0.625 61 I CA -0.490 60.794 61.300 -0.027 0.000 3.000 61 I CB -0.203 37.781 38.000 -0.027 0.000 1.552 61 I HN 0.380 nan 8.210 nan 0.000 0.526 62 D N 3.422 123.810 120.400 -0.019 0.000 3.403 62 D HA -0.150 4.487 4.640 -0.006 0.000 0.215 62 D C 0.037 176.328 176.300 -0.014 0.000 1.010 62 D CA 0.710 54.700 54.000 -0.016 0.000 1.681 62 D CB -0.500 40.292 40.800 -0.013 0.000 1.212 62 D HN 0.196 nan 8.370 nan 0.000 0.496 63 R N -0.091 120.399 120.500 -0.016 0.000 2.968 63 R HA -0.258 4.078 4.340 -0.006 0.000 0.225 63 R C -0.282 176.012 176.300 -0.008 0.000 0.838 63 R CA 0.435 56.528 56.100 -0.013 0.000 0.569 63 R CB -1.554 28.738 30.300 -0.013 0.000 1.082 63 R HN 0.320 nan 8.270 nan 0.000 0.496 64 N N -0.395 118.301 118.700 -0.007 0.000 2.405 64 N HA 0.260 4.997 4.740 -0.006 0.000 0.299 64 N C 1.242 176.754 175.510 0.003 0.000 1.075 64 N CA -0.652 52.397 53.050 -0.003 0.000 0.884 64 N CB 1.034 39.519 38.487 -0.003 0.000 1.194 64 N HN 0.050 nan 8.380 nan 0.000 0.491 65 L N 0.373 121.601 121.223 0.007 0.000 2.353 65 L HA -0.002 4.334 4.340 -0.006 0.000 0.220 65 L C 0.538 177.423 176.870 0.025 0.000 1.133 65 L CA 0.849 55.698 54.840 0.016 0.000 0.798 65 L CB -0.587 41.481 42.059 0.015 0.000 0.922 65 L HN 0.336 nan 8.230 nan 0.000 0.445 66 K N 1.563 121.976 120.400 0.021 0.000 2.620 66 K HA 0.052 4.369 4.320 -0.006 0.000 0.234 66 K C -0.297 176.334 176.600 0.052 0.000 1.194 66 K CA 0.076 56.380 56.287 0.029 0.000 1.186 66 K CB -0.562 31.948 32.500 0.017 0.000 1.270 66 K HN 0.261 nan 8.250 nan 0.000 0.235 67 c N 3.280 121.930 118.600 0.083 0.000 2.225 67 c HA 0.046 4.612 4.570 -0.006 0.000 0.437 67 c C -0.223 173.940 174.090 0.122 0.000 1.039 67 c CA -0.785 55.653 56.329 0.181 0.000 1.406 67 c CB -1.731 40.931 42.510 0.253 0.000 1.548 67 c HN 0.739 nan 8.230 nan 0.000 0.515 68 Q N 1.351 121.192 119.800 0.067 0.000 2.434 68 Q HA -0.227 4.109 4.340 -0.006 0.000 0.268 68 Q C 0.628 176.622 176.000 -0.010 0.000 1.273 68 Q CA 1.231 57.041 55.803 0.011 0.000 0.861 68 Q CB -2.474 26.252 28.738 -0.020 0.000 0.952 68 Q HN 0.885 nan 8.270 nan 0.000 0.301 69 T N -1.464 113.090 114.554 -0.000 0.000 8.355 69 T HA -0.432 3.914 4.350 -0.006 0.000 0.394 69 T C 1.353 176.053 174.700 -0.001 0.000 1.506 69 T CA 1.565 63.664 62.100 -0.002 0.000 2.484 69 T CB -1.891 66.972 68.868 -0.008 0.000 2.953 69 T HN 1.050 nan 8.240 nan 0.000 1.294 70 C N 1.233 120.532 119.300 -0.000 0.000 2.450 70 C HA -0.000 4.457 4.460 -0.006 0.000 0.279 70 C C 2.030 177.042 174.990 0.037 0.000 1.335 70 C CA 1.492 60.515 59.018 0.010 0.000 1.749 70 C CB -1.198 26.542 27.740 0.000 0.000 1.963 70 C HN 0.872 nan 8.230 nan 0.000 0.501 71 Q N -0.246 119.577 119.800 0.039 0.000 2.095 71 Q HA -0.382 3.955 4.340 -0.006 0.000 0.396 71 Q C 1.017 177.040 176.000 0.040 0.000 0.650 71 Q CA 1.876 57.700 55.803 0.034 0.000 0.949 71 Q CB -1.645 27.107 28.738 0.023 0.000 2.635 71 Q HN 0.346 nan 8.270 nan 0.000 0.845 72 E N 1.259 121.478 120.200 0.032 0.000 3.019 72 E HA -0.356 3.990 4.350 -0.006 0.000 0.294 72 E C 1.116 177.732 176.600 0.026 0.000 1.172 72 E CA 2.772 59.189 56.400 0.029 0.000 1.286 72 E CB -1.428 28.292 29.700 0.034 0.000 1.187 72 E HN 1.081 nan 8.360 nan 0.000 0.319 73 G N -0.104 108.716 108.800 0.033 0.000 2.726 73 G HA2 -0.354 3.603 3.960 -0.006 0.000 0.261 73 G HA3 -0.354 3.603 3.960 -0.006 0.000 0.261 73 G C 0.814 175.719 174.900 0.009 0.000 1.352 73 G CA 0.852 45.965 45.100 0.021 0.000 0.906 73 G HN 0.355 nan 8.290 nan 0.000 0.566 74 M N -0.025 119.571 119.600 -0.006 0.000 2.872 74 M HA 0.034 4.511 4.480 -0.006 0.000 0.218 74 M C 0.792 177.084 176.300 -0.013 0.000 0.948 74 M CA 1.873 57.162 55.300 -0.017 0.000 1.116 74 M CB -0.505 32.080 32.600 -0.025 0.000 1.469 74 M HN 0.427 nan 8.290 nan 0.000 0.561 75 N N 1.066 119.763 118.700 -0.005 0.000 2.666 75 N HA 0.096 4.833 4.740 -0.006 0.000 0.253 75 N C -0.331 175.182 175.510 0.005 0.000 1.621 75 N CA 0.303 53.351 53.050 -0.004 0.000 0.785 75 N CB 0.752 39.234 38.487 -0.007 0.000 1.332 75 N HN 0.427 nan 8.380 nan 0.000 0.514 76 E N -0.438 119.769 120.200 0.010 0.000 2.570 76 E HA -0.072 4.274 4.350 -0.006 0.000 0.249 76 E C -1.512 175.111 176.600 0.038 0.000 0.562 76 E CA -0.080 56.334 56.400 0.023 0.000 1.134 76 E CB -1.422 28.294 29.700 0.027 0.000 3.854 76 E HN 0.226 nan 8.360 nan 0.000 0.490 77 c N 3.838 122.454 118.600 0.027 0.000 2.289 77 c HA 0.633 5.200 4.570 -0.006 0.000 0.340 77 c C -2.180 171.918 174.090 0.013 0.000 1.152 77 c CA -1.641 54.712 56.329 0.040 0.000 1.650 77 c CB -0.688 41.825 42.510 0.004 0.000 2.203 77 c HN 0.198 nan 8.230 nan 0.000 0.511 78 P HA 0.231 nan 4.420 nan 0.000 0.276 78 P C 0.356 177.671 177.300 0.026 0.000 1.253 78 P CA 0.543 63.678 63.100 0.059 0.000 0.766 78 P CB 0.465 32.224 31.700 0.100 0.000 0.845 79 G N 3.478 112.245 108.800 -0.055 0.000 2.474 79 G HA2 0.101 4.058 3.960 -0.006 0.000 0.233 79 G HA3 0.101 4.058 3.960 -0.006 0.000 0.233 79 G C -0.340 174.507 174.900 -0.089 0.000 1.278 79 G CA -0.354 44.623 45.100 -0.204 0.000 0.861 79 G HN 0.608 nan 8.290 nan 0.000 0.567 80 H N 0.900 120.007 119.070 0.063 0.000 2.469 80 H HA 0.354 4.906 4.556 -0.006 0.000 0.342 80 H C -0.666 174.744 175.328 0.136 0.000 1.115 80 H CA -1.164 54.962 56.048 0.130 0.000 1.204 80 H CB 1.036 30.852 29.762 0.089 0.000 1.492 80 H HN 0.271 nan 8.280 nan 0.000 0.499 81 F N 1.570 121.597 119.950 0.129 0.000 2.602 81 F HA 0.181 4.705 4.527 -0.006 0.000 0.367 81 F C 1.564 177.409 175.800 0.075 0.000 1.126 81 F CA 1.047 59.093 58.000 0.076 0.000 1.321 81 F CB 0.628 39.660 39.000 0.052 0.000 1.094 81 F HN 0.733 nan 8.300 nan 0.000 0.594 82 G N 1.282 110.108 108.800 0.042 0.000 2.525 82 G HA2 0.455 4.412 3.960 -0.006 0.000 0.287 82 G HA3 0.455 4.412 3.960 -0.006 0.000 0.287 82 G C -1.566 173.461 174.900 0.211 0.000 1.350 82 G CA -0.300 44.843 45.100 0.072 0.000 1.039 82 G HN 0.954 nan 8.290 nan 0.000 0.513 83 H N -2.189 116.893 119.070 0.019 0.000 3.120 83 H HA 0.452 5.005 4.556 -0.006 0.000 0.314 83 H C -2.005 173.309 175.328 -0.023 0.000 1.151 83 H CA -0.989 55.061 56.048 0.004 0.000 1.404 83 H CB 1.061 30.824 29.762 0.001 0.000 2.031 83 H HN 0.686 nan 8.280 nan 0.000 0.513 84 I N 4.070 124.346 120.570 -0.490 0.000 2.563 84 I HA 0.264 4.431 4.170 -0.006 0.000 0.285 84 I C -1.154 174.808 176.117 -0.258 0.000 1.123 84 I CA -0.422 60.587 61.300 -0.486 0.000 1.059 84 I CB 1.610 39.434 38.000 -0.292 0.000 1.229 84 I HN 0.862 nan 8.210 nan 0.000 0.442 85 D N 7.785 128.049 120.400 -0.225 0.000 2.493 85 D HA 0.183 4.820 4.640 -0.006 0.000 0.240 85 D C 0.531 176.785 176.300 -0.078 0.000 1.142 85 D CA 0.401 54.355 54.000 -0.076 0.000 0.872 85 D CB 1.783 42.564 40.800 -0.032 0.000 1.173 85 D HN 0.491 nan 8.370 nan 0.000 0.467 86 L N 0.992 122.189 121.223 -0.043 0.000 2.945 86 L HA 0.469 4.806 4.340 -0.006 0.000 0.171 86 L C 1.401 178.254 176.870 -0.030 0.000 1.669 86 L CA -0.372 54.443 54.840 -0.041 0.000 1.963 86 L CB 0.082 42.127 42.059 -0.023 0.000 2.719 86 L HN 0.470 nan 8.230 nan 0.000 0.570 87 A N -0.929 121.880 122.820 -0.018 0.000 1.857 87 A HA 0.294 4.611 4.320 -0.006 0.000 0.192 87 A C 0.163 177.749 177.584 0.003 0.000 2.203 87 A CA -0.050 51.980 52.037 -0.010 0.000 1.377 87 A CB 0.237 19.230 19.000 -0.011 0.000 0.976 87 A HN 0.401 nan 8.150 nan 0.000 0.594 88 K N 1.601 122.003 120.400 0.003 0.000 2.299 88 K HA 0.396 4.712 4.320 -0.006 0.000 0.268 88 K C -2.516 174.072 176.600 -0.020 0.000 1.075 88 K CA -2.124 54.163 56.287 -0.000 0.000 0.936 88 K CB 0.791 33.295 32.500 0.006 0.000 1.228 88 K HN 0.166 nan 8.250 nan 0.000 0.454 89 P HA -0.225 nan 4.420 nan 0.000 0.283 89 P C -0.777 176.458 177.300 -0.109 0.000 1.402 89 P CA 0.178 63.252 63.100 -0.044 0.000 1.005 89 P CB 0.402 32.081 31.700 -0.034 0.000 0.788 90 V N -1.569 118.273 119.914 -0.122 0.000 3.147 90 V HA 0.299 4.415 4.120 -0.006 0.000 0.299 90 V C 0.122 176.134 176.094 -0.137 0.000 1.302 90 V CA -0.677 61.509 62.300 -0.190 0.000 1.015 90 V CB 1.391 33.204 31.823 -0.017 0.000 1.086 90 V HN 0.322 nan 8.190 nan 0.000 0.437 91 F N 0.811 120.850 119.950 0.149 0.000 2.444 91 F HA 0.342 4.865 4.527 -0.006 0.000 0.297 91 F C 0.990 176.931 175.800 0.235 0.000 1.295 91 F CA 0.340 58.452 58.000 0.186 0.000 1.286 91 F CB 0.102 39.193 39.000 0.151 0.000 1.298 91 F HN 0.712 nan 8.300 nan 0.000 0.531 92 H N -0.694 118.571 119.070 0.325 0.000 2.562 92 H HA 0.335 4.887 4.556 -0.006 0.000 0.230 92 H C 0.385 175.714 175.328 0.001 0.000 1.415 92 H CA -0.566 55.565 56.048 0.138 0.000 1.454 92 H CB 0.221 30.061 29.762 0.129 0.000 1.716 92 H HN 0.459 nan 8.280 nan 0.000 0.538 93 V N 1.771 121.816 119.914 0.218 0.000 2.512 93 V HA -0.459 3.658 4.120 -0.006 0.000 0.177 93 V C 2.291 178.357 176.094 -0.047 0.000 1.038 93 V CA 2.411 64.751 62.300 0.066 0.000 1.302 93 V CB -1.537 30.312 31.823 0.043 0.000 1.129 93 V HN 0.766 nan 8.190 nan 0.000 0.483 94 G N -2.204 106.438 108.800 -0.264 0.000 3.061 94 G HA2 0.199 4.156 3.960 -0.006 0.000 0.208 94 G HA3 0.199 4.156 3.960 -0.006 0.000 0.208 94 G C 0.952 175.759 174.900 -0.156 0.000 1.175 94 G CA 0.486 45.398 45.100 -0.313 0.000 0.812 94 G HN 0.625 nan 8.290 nan 0.000 0.523 95 F N -0.981 118.760 119.950 -0.349 0.000 2.740 95 F HA 0.214 4.738 4.527 -0.005 0.000 0.304 95 F C 2.165 177.906 175.800 -0.097 0.000 1.098 95 F CA -0.808 57.029 58.000 -0.272 0.000 1.258 95 F CB 0.405 39.181 39.000 -0.373 0.000 1.061 95 F HN -0.030 nan 8.300 nan 0.000 0.598 96 I N 1.549 122.200 120.570 0.135 0.000 2.094 96 I HA -0.411 3.756 4.170 -0.006 0.000 0.236 96 I C 2.678 178.820 176.117 0.041 0.000 1.016 96 I CA 2.223 63.557 61.300 0.057 0.000 1.294 96 I CB -1.114 36.874 38.000 -0.019 0.000 1.006 96 I HN 0.082 nan 8.210 nan 0.000 0.397 97 A N -0.337 122.497 122.820 0.023 0.000 2.076 97 A HA -0.225 4.092 4.320 -0.006 0.000 0.220 97 A C 2.354 179.936 177.584 -0.004 0.000 1.160 97 A CA 1.537 53.582 52.037 0.012 0.000 0.653 97 A CB -0.408 18.589 19.000 -0.005 0.000 0.801 97 A HN 0.479 nan 8.150 nan 0.000 0.455 98 K N -0.394 119.983 120.400 -0.037 0.000 1.997 98 K HA 0.064 4.381 4.320 -0.006 0.000 0.212 98 K C 1.697 178.313 176.600 0.028 0.000 1.033 98 K CA 1.094 57.330 56.287 -0.086 0.000 0.950 98 K CB -0.412 31.913 32.500 -0.291 0.000 0.751 98 K HN 0.426 nan 8.250 nan 0.000 0.444 99 I N 1.940 122.515 120.570 0.009 0.000 2.367 99 I HA -0.446 3.720 4.170 -0.006 0.000 0.260 99 I C 2.473 178.713 176.117 0.205 0.000 1.078 99 I CA 1.505 62.896 61.300 0.152 0.000 1.388 99 I CB -0.536 37.589 38.000 0.207 0.000 1.067 99 I HN 0.345 nan 8.210 nan 0.000 0.450 100 K N 1.655 122.143 120.400 0.148 0.000 2.021 100 K HA -0.135 4.182 4.320 -0.006 0.000 0.205 100 K C 2.093 178.851 176.600 0.263 0.000 1.047 100 K CA 1.038 57.418 56.287 0.155 0.000 0.943 100 K CB -0.006 32.559 32.500 0.108 0.000 0.725 100 K HN 0.227 nan 8.250 nan 0.000 0.439 101 K N 0.799 121.373 120.400 0.291 0.000 2.160 101 K HA -0.116 4.201 4.320 -0.006 0.000 0.206 101 K C 1.936 178.856 176.600 0.533 0.000 1.047 101 K CA 1.542 58.116 56.287 0.478 0.000 0.930 101 K CB -0.123 32.333 32.500 -0.072 0.000 0.720 101 K HN 0.110 nan 8.250 nan 0.000 0.450 102 V N -0.028 120.153 119.914 0.446 0.000 2.626 102 V HA -0.253 3.864 4.120 -0.006 0.000 0.252 102 V C 2.272 178.597 176.094 0.384 0.000 1.067 102 V CA 1.405 63.990 62.300 0.475 0.000 1.081 102 V CB -0.834 31.267 31.823 0.464 0.000 0.686 102 V HN 0.336 nan 8.190 nan 0.000 0.468 103 C N -0.012 119.469 119.300 0.302 0.000 2.524 103 C HA 0.070 4.526 4.460 -0.006 0.000 0.284 103 C C 2.324 177.376 174.990 0.103 0.000 1.346 103 C CA -0.067 59.053 59.018 0.171 0.000 1.739 103 C CB -0.719 27.084 27.740 0.106 0.000 2.119 103 C HN 0.550 nan 8.230 nan 0.000 0.501 104 E N -0.362 119.915 120.200 0.128 0.000 2.533 104 E HA -0.163 4.184 4.350 -0.006 0.000 0.203 104 E C 1.461 178.017 176.600 -0.073 0.000 1.101 104 E CA 0.394 56.781 56.400 -0.022 0.000 0.894 104 E CB -0.132 29.541 29.700 -0.044 0.000 0.843 104 E HN 0.684 nan 8.360 nan 0.000 0.552 105 C N -0.404 118.944 119.300 0.079 0.000 3.294 105 C HA 0.228 4.684 4.460 -0.006 0.000 0.441 105 C C 0.856 175.893 174.990 0.078 0.000 1.364 105 C CA -0.301 58.763 59.018 0.078 0.000 2.059 105 C CB 0.370 28.213 27.740 0.171 0.000 2.925 105 C HN 0.031 nan 8.230 nan 0.000 0.633 106 V N -0.063 119.911 119.914 0.100 0.000 3.166 106 V HA 0.632 4.749 4.120 -0.006 0.000 0.317 106 V C -0.382 175.728 176.094 0.027 0.000 1.136 106 V CA -0.453 61.895 62.300 0.081 0.000 1.035 106 V CB 1.841 33.738 31.823 0.124 0.000 1.110 106 V HN 0.466 nan 8.190 nan 0.000 0.450 107 C N 3.238 122.542 119.300 0.008 0.000 2.802 107 C HA 0.668 5.125 4.460 -0.006 0.000 0.307 107 C C 0.040 174.998 174.990 -0.054 0.000 1.222 107 C CA -1.056 57.950 59.018 -0.019 0.000 1.580 107 C CB 1.282 29.022 27.740 0.000 0.000 2.119 107 C HN 0.815 nan 8.230 nan 0.000 0.479 108 M N 4.371 123.901 119.600 -0.116 0.000 2.224 108 M HA 0.151 4.627 4.480 -0.006 0.000 0.297 108 M C 1.533 177.694 176.300 -0.231 0.000 1.047 108 M CA 1.201 56.325 55.300 -0.293 0.000 1.125 108 M CB -0.907 31.410 32.600 -0.473 0.000 1.413 108 M HN 1.009 nan 8.290 nan 0.000 0.431 109 H N -0.688 118.404 119.070 0.037 0.000 5.358 109 H HA -0.260 4.293 4.556 -0.006 0.000 0.072 109 H C 1.591 176.932 175.328 0.021 0.000 0.524 109 H CA 2.561 58.625 56.048 0.027 0.000 1.084 109 H CB -1.675 28.101 29.762 0.024 0.000 0.570 109 H HN 0.911 nan 8.280 nan 0.000 0.681 110 C N -0.673 118.687 119.300 0.100 0.000 2.964 110 C HA 0.673 5.130 4.460 -0.006 0.000 0.358 110 C C 1.570 176.581 174.990 0.036 0.000 1.289 110 C CA 0.804 59.859 59.018 0.061 0.000 1.856 110 C CB 0.129 27.892 27.740 0.038 0.000 2.488 110 C HN 1.247 nan 8.230 nan 0.000 0.604 111 G N 2.113 110.922 108.800 0.015 0.000 2.636 111 G HA2 -0.102 3.855 3.960 -0.006 0.000 0.261 111 G HA3 -0.102 3.855 3.960 -0.006 0.000 0.261 111 G C -0.606 174.303 174.900 0.015 0.000 1.018 111 G CA 0.478 45.581 45.100 0.004 0.000 1.308 111 G HN 0.949 nan 8.290 nan 0.000 0.514 112 K N 1.052 121.462 120.400 0.017 0.000 2.378 112 K HA 0.734 5.050 4.320 -0.006 0.000 0.244 112 K C 0.386 177.005 176.600 0.033 0.000 1.039 112 K CA -1.203 55.095 56.287 0.018 0.000 0.863 112 K CB 1.581 34.090 32.500 0.014 0.000 1.326 112 K HN 0.276 nan 8.250 nan 0.000 0.460 113 L N 2.418 123.663 121.223 0.036 0.000 2.436 113 L HA 0.156 4.493 4.340 -0.006 0.000 0.265 113 L C 0.453 177.345 176.870 0.036 0.000 1.168 113 L CA -0.063 54.805 54.840 0.046 0.000 0.815 113 L CB 0.530 42.618 42.059 0.049 0.000 1.109 113 L HN 0.582 nan 8.230 nan 0.000 0.462 114 L N 3.780 125.021 121.223 0.030 0.000 3.014 114 L HA 0.387 4.724 4.340 -0.006 0.000 0.263 114 L C -0.773 176.110 176.870 0.023 0.000 1.207 114 L CA -0.108 54.745 54.840 0.023 0.000 1.017 114 L CB -0.174 41.892 42.059 0.010 0.000 1.360 114 L HN 0.309 nan 8.230 nan 0.000 0.560 115 L N -0.840 120.402 121.223 0.032 0.000 2.676 115 L HA 0.502 4.838 4.340 -0.006 0.000 0.262 115 L C -1.472 175.425 176.870 0.045 0.000 0.965 115 L CA -0.365 54.496 54.840 0.035 0.000 0.920 115 L CB 1.641 43.708 42.059 0.013 0.000 1.260 115 L HN -0.066 nan 8.230 nan 0.000 0.422 116 D N 0.376 120.822 120.400 0.077 0.000 2.569 116 D HA 0.286 4.923 4.640 -0.006 0.000 0.266 116 D C 0.866 177.138 176.300 -0.046 0.000 1.164 116 D CA -0.476 53.553 54.000 0.048 0.000 1.071 116 D CB 1.452 42.337 40.800 0.143 0.000 1.183 116 D HN 0.511 nan 8.370 nan 0.000 0.613 117 E N -0.775 119.308 120.200 -0.195 0.000 2.324 117 E HA -0.276 4.071 4.350 -0.006 0.000 0.205 117 E C 1.457 177.881 176.600 -0.293 0.000 1.031 117 E CA 1.365 57.599 56.400 -0.278 0.000 0.836 117 E CB -0.052 29.410 29.700 -0.397 0.000 0.742 117 E HN 0.383 nan 8.360 nan 0.000 0.491 118 H N -0.162 118.912 119.070 0.006 0.000 2.261 118 H HA -0.001 4.552 4.556 -0.006 0.000 0.301 118 H C 1.053 176.383 175.328 0.003 0.000 1.067 118 H CA 0.794 56.845 56.048 0.004 0.000 1.297 118 H CB -0.519 29.245 29.762 0.003 0.000 1.377 118 H HN 0.068 nan 8.280 nan 0.000 0.492 119 N N 2.220 120.981 118.700 0.103 0.000 2.431 119 N HA -0.088 4.648 4.740 -0.006 0.000 0.265 119 N C 0.091 175.615 175.510 0.023 0.000 1.184 119 N CA 0.256 53.337 53.050 0.052 0.000 0.943 119 N CB 0.595 39.105 38.487 0.038 0.000 1.080 119 N HN 0.423 nan 8.380 nan 0.000 0.477 120 E N 4.336 124.547 120.200 0.019 0.000 2.354 120 E HA 0.069 4.416 4.350 -0.006 0.000 0.260 120 E C 0.459 177.063 176.600 0.007 0.000 1.405 120 E CA 0.014 56.419 56.400 0.009 0.000 1.728 120 E CB 0.015 29.721 29.700 0.010 0.000 1.471 120 E HN 0.621 nan 8.360 nan 0.000 0.441 121 L N 0.730 121.957 121.223 0.007 0.000 3.039 121 L HA 0.164 4.501 4.340 -0.006 0.000 0.269 121 L C 1.511 178.386 176.870 0.007 0.000 1.169 121 L CA 0.075 54.919 54.840 0.007 0.000 0.986 121 L CB 0.358 42.420 42.059 0.005 0.000 1.377 121 L HN 0.306 nan 8.230 nan 0.000 0.575 122 M N -0.580 119.023 119.600 0.006 0.000 2.466 122 M HA 0.063 4.540 4.480 -0.006 0.000 0.265 122 M C 2.018 178.320 176.300 0.003 0.000 1.122 122 M CA 1.471 56.774 55.300 0.006 0.000 1.157 122 M CB 0.028 32.631 32.600 0.006 0.000 1.352 122 M HN -0.067 nan 8.290 nan 0.000 0.464 123 R N 0.104 120.602 120.500 -0.004 0.000 2.132 123 R HA -0.217 4.119 4.340 -0.006 0.000 0.233 123 R C 2.100 178.401 176.300 0.002 0.000 1.125 123 R CA 2.626 58.720 56.100 -0.011 0.000 0.914 123 R CB -0.740 29.551 30.300 -0.015 0.000 0.845 123 R HN 0.509 nan 8.270 nan 0.000 0.431 124 Q N -0.852 118.951 119.800 0.005 0.000 2.187 124 Q HA -0.366 3.970 4.340 -0.006 0.000 0.224 124 Q C 1.998 178.008 176.000 0.016 0.000 1.082 124 Q CA 2.495 58.305 55.803 0.011 0.000 0.945 124 Q CB -0.602 28.144 28.738 0.013 0.000 1.054 124 Q HN 0.563 nan 8.270 nan 0.000 0.475 125 A N 0.357 123.190 122.820 0.020 0.000 2.148 125 A HA -0.163 4.153 4.320 -0.006 0.000 0.222 125 A C 1.735 179.339 177.584 0.034 0.000 1.161 125 A CA 1.355 53.409 52.037 0.029 0.000 0.662 125 A CB -0.747 18.272 19.000 0.032 0.000 0.799 125 A HN 0.437 nan 8.150 nan 0.000 0.466 126 L N -2.340 118.899 121.223 0.027 0.000 2.645 126 L HA 0.264 4.601 4.340 -0.006 0.000 0.235 126 L C 1.355 178.243 176.870 0.030 0.000 1.150 126 L CA 0.511 55.370 54.840 0.031 0.000 0.911 126 L CB -0.306 41.765 42.059 0.020 0.000 1.077 126 L HN 0.379 nan 8.230 nan 0.000 0.438 127 A N -0.329 122.508 122.820 0.028 0.000 2.574 127 A HA 0.266 4.582 4.320 -0.006 0.000 0.246 127 A C 0.222 177.822 177.584 0.027 0.000 1.025 127 A CA -0.440 51.612 52.037 0.026 0.000 1.043 127 A CB 0.146 19.157 19.000 0.019 0.000 1.177 127 A HN 0.196 nan 8.150 nan 0.000 0.526 128 I N 1.999 122.587 120.570 0.030 0.000 2.576 128 I HA 0.022 4.189 4.170 -0.006 0.000 0.288 128 I C 0.292 176.428 176.117 0.032 0.000 1.126 128 I CA 0.057 61.375 61.300 0.031 0.000 1.362 128 I CB 0.309 38.330 38.000 0.034 0.000 1.419 128 I HN 0.137 nan 8.210 nan 0.000 0.533 129 K N 7.428 127.845 120.400 0.028 0.000 2.258 129 K HA -0.081 4.236 4.320 -0.006 0.000 0.266 129 K C -0.685 175.931 176.600 0.027 0.000 1.204 129 K CA 0.949 57.252 56.287 0.026 0.000 1.206 129 K CB -0.202 32.312 32.500 0.024 0.000 0.854 129 K HN 0.640 nan 8.250 nan 0.000 0.453 130 D N 1.686 122.102 120.400 0.028 0.000 3.964 130 D HA -0.088 4.549 4.640 -0.006 0.000 0.098 130 D C 0.319 176.634 176.300 0.025 0.000 0.542 130 D CA 0.198 54.212 54.000 0.024 0.000 1.141 130 D CB -0.600 40.213 40.800 0.023 0.000 1.302 130 D HN 0.426 nan 8.370 nan 0.000 0.476 131 S N 0.681 116.398 115.700 0.028 0.000 1.978 131 S HA -0.411 4.055 4.470 -0.006 0.000 0.533 131 S C 1.782 176.409 174.600 0.045 0.000 0.920 131 S CA 1.940 60.158 58.200 0.031 0.000 3.354 131 S CB -0.431 62.749 63.200 -0.032 0.000 2.336 131 S HN 0.577 nan 8.310 nan 0.000 0.579 132 K N 0.710 121.111 120.400 0.001 0.000 2.152 132 K HA -0.369 3.948 4.320 -0.006 0.000 0.206 132 K C 1.707 178.341 176.600 0.056 0.000 0.754 132 K CA 2.701 58.991 56.287 0.005 0.000 1.053 132 K CB -0.634 31.862 32.500 -0.007 0.000 0.869 132 K HN 0.527 nan 8.250 nan 0.000 0.660 133 K N 0.344 120.772 120.400 0.047 0.000 2.504 133 K HA -0.052 4.265 4.320 -0.006 0.000 0.195 133 K C 1.954 178.596 176.600 0.070 0.000 1.036 133 K CA 0.790 57.108 56.287 0.052 0.000 0.984 133 K CB -0.032 32.489 32.500 0.035 0.000 0.788 133 K HN 0.252 nan 8.250 nan 0.000 0.488 134 R N 0.404 120.958 120.500 0.089 0.000 2.052 134 R HA -0.050 4.287 4.340 -0.006 0.000 0.226 134 R C 1.905 178.275 176.300 0.117 0.000 1.145 134 R CA 1.191 57.348 56.100 0.094 0.000 0.952 134 R CB -0.378 29.981 30.300 0.100 0.000 0.847 134 R HN 0.244 nan 8.270 nan 0.000 0.431 135 F N 0.813 120.778 119.950 0.026 0.000 2.373 135 F HA -0.027 4.497 4.527 -0.005 0.000 0.300 135 F C 1.234 177.055 175.800 0.034 0.000 1.080 135 F CA 1.314 59.337 58.000 0.038 0.000 1.417 135 F CB 0.127 39.124 39.000 -0.006 0.000 1.070 135 F HN 0.166 nan 8.300 nan 0.000 0.546 136 A N -1.082 121.785 122.820 0.078 0.000 2.535 136 A HA 0.694 5.010 4.320 -0.006 0.000 0.273 136 A C 1.354 178.972 177.584 0.056 0.000 1.267 136 A CA 0.408 52.445 52.037 -0.001 0.000 0.940 136 A CB -0.663 18.339 19.000 0.003 0.000 1.101 136 A HN 0.374 nan 8.150 nan 0.000 0.521 137 A N -0.038 122.811 122.820 0.048 0.000 2.011 137 A HA 0.367 4.684 4.320 -0.006 0.000 0.204 137 A C 1.666 179.279 177.584 0.048 0.000 1.520 137 A CA 0.593 52.663 52.037 0.055 0.000 0.819 137 A CB -0.518 18.511 19.000 0.048 0.000 1.087 137 A HN 0.295 nan 8.150 nan 0.000 0.526 138 I N -1.687 118.891 120.570 0.012 0.000 2.082 138 I HA -0.358 3.809 4.170 -0.006 0.000 0.221 138 I C 2.266 178.396 176.117 0.022 0.000 1.010 138 I CA 2.294 63.588 61.300 -0.009 0.000 1.322 138 I CB -0.649 37.317 38.000 -0.056 0.000 1.044 138 I HN 0.709 nan 8.210 nan 0.000 0.384 139 W N 1.571 122.687 121.300 -0.306 0.000 2.284 139 W HA -0.467 4.190 4.660 -0.005 0.000 0.355 139 W C 2.746 179.180 176.519 -0.142 0.000 1.501 139 W CA 3.531 60.713 57.345 -0.271 0.000 1.448 139 W CB -1.150 28.077 29.460 -0.387 0.000 1.045 139 W HN 0.288 nan 8.180 nan 0.000 0.470 140 T N 0.829 115.582 114.554 0.332 0.000 2.792 140 T HA -0.289 4.058 4.350 -0.006 0.000 0.268 140 T C 1.672 176.320 174.700 -0.086 0.000 1.059 140 T CA 1.846 64.010 62.100 0.108 0.000 1.136 140 T CB -0.577 68.392 68.868 0.167 0.000 0.846 140 T HN 0.357 nan 8.240 nan 0.000 0.489 141 L N 0.347 121.535 121.223 -0.058 0.000 2.354 141 L HA 0.116 4.453 4.340 -0.006 0.000 0.212 141 L C 1.538 178.340 176.870 -0.114 0.000 1.091 141 L CA 0.567 55.364 54.840 -0.072 0.000 0.828 141 L CB -0.035 42.008 42.059 -0.027 0.000 0.973 141 L HN 0.461 nan 8.230 nan 0.000 0.461 142 C N -2.110 117.095 119.300 -0.157 0.000 2.638 142 C HA 0.272 4.729 4.460 -0.006 0.000 0.282 142 C C 1.724 176.545 174.990 -0.281 0.000 1.473 142 C CA -0.911 58.010 59.018 -0.163 0.000 1.781 142 C CB -1.228 26.458 27.740 -0.089 0.000 2.780 142 C HN 0.385 nan 8.230 nan 0.000 0.531 143 K N 0.728 120.862 120.400 -0.444 0.000 2.166 143 K HA 0.077 4.394 4.320 -0.006 0.000 0.201 143 K C 1.539 177.937 176.600 -0.337 0.000 1.052 143 K CA 1.412 57.345 56.287 -0.590 0.000 0.969 143 K CB -0.573 31.305 32.500 -1.036 0.000 0.761 143 K HN 0.263 nan 8.250 nan 0.000 0.459 144 T N 1.014 115.415 114.554 -0.254 0.000 2.814 144 T HA 0.022 4.368 4.350 -0.006 0.000 0.254 144 T C 0.497 175.130 174.700 -0.112 0.000 1.037 144 T CA 0.411 62.414 62.100 -0.161 0.000 1.143 144 T CB -0.015 68.779 68.868 -0.124 0.000 0.866 144 T HN 0.063 nan 8.240 nan 0.000 0.431 145 K N 1.705 122.046 120.400 -0.099 0.000 2.453 145 K HA 0.120 4.436 4.320 -0.006 0.000 0.280 145 K C 0.266 176.831 176.600 -0.058 0.000 1.045 145 K CA 0.470 56.720 56.287 -0.061 0.000 1.059 145 K CB 0.357 32.830 32.500 -0.046 0.000 0.901 145 K HN 0.344 nan 8.250 nan 0.000 0.475 146 M N 2.103 121.684 119.600 -0.032 0.000 2.306 146 M HA 0.035 4.511 4.480 -0.006 0.000 0.292 146 M C -0.125 176.189 176.300 0.024 0.000 1.018 146 M CA -0.188 55.105 55.300 -0.012 0.000 1.007 146 M CB 1.021 33.616 32.600 -0.007 0.000 1.510 146 M HN 0.200 nan 8.290 nan 0.000 0.537 147 V N -1.912 118.014 119.914 0.020 0.000 2.973 147 V HA 0.221 4.338 4.120 -0.006 0.000 0.314 147 V C 0.402 176.514 176.094 0.029 0.000 1.066 147 V CA -1.190 61.130 62.300 0.034 0.000 1.021 147 V CB 1.749 33.585 31.823 0.022 0.000 1.076 147 V HN 0.344 nan 8.190 nan 0.000 0.462 148 C N 1.923 121.245 119.300 0.038 0.000 2.306 148 C HA 0.371 4.827 4.460 -0.006 0.000 0.341 148 C C 0.818 175.821 174.990 0.022 0.000 1.381 148 C CA -0.339 58.698 59.018 0.032 0.000 1.784 148 C CB -2.893 24.875 27.740 0.046 0.000 2.555 148 C HN 1.044 nan 8.230 nan 0.000 0.565 149 E N 0.365 120.574 120.200 0.015 0.000 5.577 149 E HA -0.228 4.119 4.350 -0.006 0.000 0.392 149 E C 0.890 177.490 176.600 0.000 0.000 0.999 149 E CA 1.345 57.748 56.400 0.006 0.000 1.521 149 E CB 0.371 30.072 29.700 0.001 0.000 0.896 149 E HN 0.692 nan 8.360 nan 0.000 0.414 150 T N 0.041 114.591 114.554 -0.007 0.000 3.023 150 T HA 0.137 4.484 4.350 -0.006 0.000 0.249 150 T C -0.196 174.489 174.700 -0.025 0.000 1.050 150 T CA 0.604 62.697 62.100 -0.012 0.000 1.088 150 T CB 0.186 69.047 68.868 -0.011 0.000 0.946 150 T HN 0.465 nan 8.240 nan 0.000 0.480 151 D N -1.319 119.062 120.400 -0.033 0.000 2.890 151 D HA 0.492 5.129 4.640 -0.006 0.000 0.306 151 D C -1.778 174.485 176.300 -0.062 0.000 1.280 151 D CA -0.426 53.539 54.000 -0.057 0.000 0.742 151 D CB 1.395 42.158 40.800 -0.061 0.000 1.266 151 D HN -0.024 nan 8.370 nan 0.000 0.433 152 V N -0.002 119.853 119.914 -0.098 0.000 3.114 152 V HA 0.551 4.668 4.120 -0.006 0.000 0.308 152 V C -2.419 173.636 176.094 -0.064 0.000 1.168 152 V CA -1.649 60.605 62.300 -0.077 0.000 1.015 152 V CB 2.017 33.797 31.823 -0.072 0.000 1.050 152 V HN 0.429 nan 8.190 nan 0.000 0.433 153 P HA 0.043 nan 4.420 nan 0.000 0.248 153 P C 0.601 177.915 177.300 0.023 0.000 1.550 153 P CA 0.707 63.808 63.100 0.001 0.000 1.252 153 P CB -0.328 31.377 31.700 0.008 0.000 1.869 162 V N -2.571 117.307 119.914 -0.060 0.000 3.189 162 V HA 0.917 5.034 4.120 -0.006 0.000 0.312 162 V C -0.849 175.185 176.094 -0.100 0.000 1.452 162 V CA -0.484 61.773 62.300 -0.071 0.000 1.006 162 V CB 1.537 33.315 31.823 -0.074 0.000 1.083 162 V HN 0.899 nan 8.190 nan 0.000 0.481 163 S N 0.209 115.843 115.700 -0.111 0.000 2.548 163 S HA 0.836 5.303 4.470 -0.006 0.000 0.276 163 S C -0.633 173.907 174.600 -0.101 0.000 1.129 163 S CA -0.885 57.252 58.200 -0.105 0.000 0.931 163 S CB 2.582 65.748 63.200 -0.057 0.000 1.068 163 S HN 1.179 nan 8.310 nan 0.000 0.480 164 R N 1.572 122.016 120.500 -0.093 0.000 3.412 164 R HA 0.861 5.197 4.340 -0.006 0.000 0.216 164 R C 0.495 176.781 176.300 -0.022 0.000 1.677 164 R CA -0.810 55.265 56.100 -0.042 0.000 0.931 164 R CB -0.315 29.964 30.300 -0.035 0.000 2.019 164 R HN 0.686 nan 8.270 nan 0.000 0.537 165 G N -1.342 107.453 108.800 -0.008 0.000 2.537 165 G HA2 0.547 4.503 3.960 -0.006 0.000 0.297 165 G HA3 0.547 4.503 3.960 -0.006 0.000 0.297 165 G C -0.666 174.230 174.900 -0.006 0.000 1.310 165 G CA -0.322 44.773 45.100 -0.007 0.000 1.027 165 G HN 0.703 nan 8.290 nan 0.000 0.505 166 G N -3.202 105.597 108.800 -0.002 0.000 2.782 166 G HA2 0.574 4.531 3.960 -0.006 0.000 0.304 166 G HA3 0.574 4.531 3.960 -0.006 0.000 0.304 166 G C -0.273 174.637 174.900 0.017 0.000 1.315 166 G CA 0.518 45.620 45.100 0.004 0.000 0.791 166 G HN 2.199 nan 8.290 nan 0.000 0.519 167 C N -1.035 118.278 119.300 0.021 0.000 3.599 167 C HA 0.153 4.610 4.460 -0.006 0.000 0.354 167 C C 1.496 176.519 174.990 0.055 0.000 0.924 167 C CA -0.492 58.548 59.018 0.038 0.000 3.749 167 C CB -1.636 26.139 27.740 0.058 0.000 1.357 167 C HN 2.271 nan 8.230 nan 0.000 0.611 168 G N 2.383 111.204 108.800 0.035 0.000 2.601 168 G HA2 -0.057 3.900 3.960 -0.006 0.000 0.214 168 G HA3 -0.057 3.900 3.960 -0.006 0.000 0.214 168 G C 0.760 175.694 174.900 0.056 0.000 1.132 168 G CA 1.012 46.136 45.100 0.039 0.000 0.761 168 G HN 1.050 nan 8.290 nan 0.000 0.550 169 N N -0.245 118.497 118.700 0.070 0.000 2.257 169 N HA 0.157 4.894 4.740 -0.006 0.000 0.239 169 N C 0.139 175.733 175.510 0.139 0.000 1.299 169 N CA 0.738 53.837 53.050 0.081 0.000 0.848 169 N CB -0.063 38.476 38.487 0.086 0.000 0.992 169 N HN 0.176 nan 8.380 nan 0.000 0.437 170 T N -1.875 112.803 114.554 0.208 0.000 2.742 170 T HA 0.250 4.597 4.350 -0.006 0.000 0.282 170 T C -0.763 174.130 174.700 0.322 0.000 1.025 170 T CA -0.819 61.445 62.100 0.274 0.000 1.020 170 T CB 1.470 70.518 68.868 0.301 0.000 1.317 170 T HN 0.343 nan 8.240 nan 0.000 0.538 171 Q N 1.552 121.452 119.800 0.166 0.000 2.290 171 Q HA 0.421 4.758 4.340 -0.006 0.000 0.259 171 Q C -2.478 173.442 176.000 -0.133 0.000 0.941 171 Q CA -2.067 53.737 55.803 0.001 0.000 0.912 171 Q CB 1.455 30.171 28.738 -0.037 0.000 1.244 171 Q HN 0.336 nan 8.270 nan 0.000 0.441 172 P HA 0.154 nan 4.420 nan 0.000 0.279 172 P C -0.898 176.197 177.300 -0.340 0.000 1.276 172 P CA -0.500 62.184 63.100 -0.693 0.000 0.801 172 P CB 0.674 31.622 31.700 -1.254 0.000 1.127 173 T N 1.207 115.607 114.554 -0.257 0.000 2.727 173 T HA 0.399 4.746 4.350 -0.006 0.000 0.298 173 T C 0.562 175.151 174.700 -0.185 0.000 0.942 173 T CA -0.150 61.850 62.100 -0.166 0.000 0.997 173 T CB -0.609 68.195 68.868 -0.107 0.000 0.917 173 T HN 0.154 nan 8.240 nan 0.000 0.487 174 I N 2.963 123.435 120.570 -0.162 0.000 2.764 174 I HA 0.489 4.656 4.170 -0.006 0.000 0.294 174 I C 0.767 176.838 176.117 -0.077 0.000 1.045 174 I CA -0.634 60.583 61.300 -0.139 0.000 1.340 174 I CB 0.796 38.733 38.000 -0.105 0.000 1.436 174 I HN 0.323 nan 8.210 nan 0.000 0.567 175 R N 2.873 123.330 120.500 -0.071 0.000 2.673 175 R HA 0.350 4.687 4.340 -0.006 0.000 0.281 175 R C -1.041 175.232 176.300 -0.045 0.000 0.991 175 R CA -0.895 55.179 56.100 -0.043 0.000 0.896 175 R CB 1.982 32.258 30.300 -0.041 0.000 1.201 175 R HN 0.501 nan 8.270 nan 0.000 0.457 176 K N 2.092 122.472 120.400 -0.034 0.000 2.172 176 K HA 0.192 4.508 4.320 -0.006 0.000 0.276 176 K C -1.390 175.184 176.600 -0.043 0.000 1.013 176 K CA -0.293 55.961 56.287 -0.054 0.000 0.913 176 K CB 1.108 33.584 32.500 -0.040 0.000 1.055 176 K HN 0.457 nan 8.250 nan 0.000 0.461 177 D N 2.719 123.087 120.400 -0.054 0.000 2.616 177 D HA 0.314 4.951 4.640 -0.006 0.000 0.238 177 D C 0.578 176.859 176.300 -0.032 0.000 1.354 177 D CA 0.757 54.740 54.000 -0.028 0.000 0.970 177 D CB 1.271 42.059 40.800 -0.020 0.000 1.369 177 D HN 0.740 nan 8.370 nan 0.000 0.585 178 G N 3.525 112.317 108.800 -0.012 0.000 4.982 178 G HA2 -0.300 3.657 3.960 -0.006 0.000 0.351 178 G HA3 -0.300 3.657 3.960 -0.006 0.000 0.351 178 G C 0.722 175.613 174.900 -0.015 0.000 1.462 178 G CA 0.989 46.093 45.100 0.007 0.000 1.248 178 G HN 0.668 nan 8.290 nan 0.000 0.842 179 L N -0.512 120.680 121.223 -0.050 0.000 3.759 179 L HA 0.396 4.733 4.340 -0.006 0.000 0.355 179 L C -0.110 176.516 176.870 -0.408 0.000 1.271 179 L CA -0.279 54.482 54.840 -0.132 0.000 1.142 179 L CB 1.041 43.145 42.059 0.074 0.000 1.474 179 L HN 0.169 nan 8.230 nan 0.000 0.624 180 K N 1.334 121.571 120.400 -0.273 0.000 2.318 180 K HA 0.697 5.014 4.320 -0.006 0.000 0.249 180 K C -0.876 175.596 176.600 -0.213 0.000 0.942 180 K CA -0.272 55.858 56.287 -0.261 0.000 0.808 180 K CB 2.651 35.143 32.500 -0.014 0.000 1.189 180 K HN -0.033 nan 8.250 nan 0.000 0.428 181 L N 2.361 123.489 121.223 -0.160 0.000 2.257 181 L HA 0.483 4.820 4.340 -0.006 0.000 0.290 181 L C -0.785 176.056 176.870 -0.048 0.000 1.044 181 L CA -1.012 53.775 54.840 -0.087 0.000 0.810 181 L CB 1.046 43.080 42.059 -0.041 0.000 1.193 181 L HN 0.201 nan 8.230 nan 0.000 0.425 182 V N 2.571 122.444 119.914 -0.068 0.000 2.407 182 V HA 0.615 4.732 4.120 -0.006 0.000 0.291 182 V C 0.432 176.447 176.094 -0.132 0.000 1.018 182 V CA -0.417 61.840 62.300 -0.071 0.000 0.842 182 V CB 1.795 33.597 31.823 -0.035 0.000 0.996 182 V HN 0.845 nan 8.190 nan 0.000 0.426 183 G N 2.542 111.213 108.800 -0.216 0.000 2.379 183 G HA2 0.532 4.489 3.960 -0.006 0.000 0.327 183 G HA3 0.532 4.489 3.960 -0.006 0.000 0.327 183 G C 0.156 174.907 174.900 -0.249 0.000 1.145 183 G CA 0.141 45.015 45.100 -0.375 0.000 0.905 183 G HN 0.755 nan 8.290 nan 0.000 0.466 184 S N 1.284 116.867 115.700 -0.195 0.000 2.305 184 S HA 0.644 5.110 4.470 -0.006 0.000 0.239 184 S C 0.399 175.052 174.600 0.090 0.000 1.259 184 S CA 0.282 58.472 58.200 -0.015 0.000 0.998 184 S CB 0.504 63.687 63.200 -0.028 0.000 0.967 184 S HN 0.786 nan 8.310 nan 0.000 0.469 185 W N -1.060 120.241 121.300 0.002 0.000 3.071 185 W HA 0.244 4.900 4.660 -0.006 0.000 0.339 185 W C -0.850 175.670 176.519 0.001 0.000 3.028 185 W CA -0.138 57.208 57.345 0.003 0.000 1.694 185 W CB -0.672 28.795 29.460 0.011 0.000 1.333 185 W HN 0.843 nan 8.180 nan 0.000 0.619 200 R N 2.695 123.349 120.500 0.257 0.000 2.473 200 R HA 0.322 4.659 4.340 -0.006 0.000 0.315 200 R C -0.873 175.541 176.300 0.190 0.000 0.972 200 R CA -0.127 56.129 56.100 0.259 0.000 1.047 200 R CB 0.447 30.976 30.300 0.381 0.000 0.932 200 R HN 0.387 nan 8.270 nan 0.000 0.411 201 V N 5.484 125.476 119.914 0.130 0.000 2.997 201 V HA 0.235 4.351 4.120 -0.006 0.000 0.311 201 V C 0.274 176.432 176.094 0.106 0.000 1.066 201 V CA -0.884 61.468 62.300 0.088 0.000 1.039 201 V CB 1.432 33.304 31.823 0.081 0.000 1.081 201 V HN 0.620 nan 8.190 nan 0.000 0.467 202 L N 2.494 123.781 121.223 0.108 0.000 2.270 202 L HA 0.320 4.657 4.340 -0.006 0.000 0.286 202 L C 0.687 177.688 176.870 0.218 0.000 1.059 202 L CA 0.565 55.492 54.840 0.144 0.000 0.839 202 L CB 1.144 43.275 42.059 0.121 0.000 1.221 202 L HN 0.745 nan 8.230 nan 0.000 0.431 203 S N 1.672 117.459 115.700 0.146 0.000 2.546 203 S HA -0.020 4.446 4.470 -0.006 0.000 0.290 203 S C 1.633 176.271 174.600 0.062 0.000 1.290 203 S CA -0.011 58.256 58.200 0.112 0.000 1.069 203 S CB 0.599 63.839 63.200 0.066 0.000 0.846 203 S HN 0.797 nan 8.310 nan 0.000 0.495 204 T N 4.595 119.117 114.554 -0.053 0.000 2.616 204 T HA -0.269 4.077 4.350 -0.006 0.000 0.261 204 T C 1.541 176.130 174.700 -0.186 0.000 1.105 204 T CA 2.413 64.277 62.100 -0.393 0.000 1.159 204 T CB -0.757 67.877 68.868 -0.390 0.000 0.856 204 T HN 0.860 nan 8.240 nan 0.000 0.449 205 E N 0.141 120.287 120.200 -0.090 0.000 2.130 205 E HA -0.197 4.149 4.350 -0.006 0.000 0.196 205 E C 2.419 179.004 176.600 -0.026 0.000 0.998 205 E CA 1.074 57.450 56.400 -0.040 0.000 0.806 205 E CB -0.041 29.651 29.700 -0.012 0.000 0.738 205 E HN 0.498 nan 8.360 nan 0.000 0.459 206 E N 0.227 120.420 120.200 -0.012 0.000 2.048 206 E HA -0.244 4.103 4.350 -0.006 0.000 0.202 206 E C 2.201 178.751 176.600 -0.085 0.000 1.021 206 E CA 1.665 58.054 56.400 -0.018 0.000 0.825 206 E CB -0.391 29.317 29.700 0.013 0.000 0.756 206 E HN 0.459 nan 8.360 nan 0.000 0.454 207 I N 0.921 121.434 120.570 -0.094 0.000 2.454 207 I HA -0.208 3.959 4.170 -0.006 0.000 0.254 207 I C 2.665 178.652 176.117 -0.216 0.000 1.156 207 I CA 0.550 61.718 61.300 -0.221 0.000 1.433 207 I CB -0.420 37.567 38.000 -0.022 0.000 1.082 207 I HN 0.064 nan 8.210 nan 0.000 0.432 208 L N 0.936 122.132 121.223 -0.045 0.000 1.948 208 L HA -0.189 4.148 4.340 -0.006 0.000 0.212 208 L C 2.183 179.026 176.870 -0.045 0.000 1.074 208 L CA 1.702 56.566 54.840 0.040 0.000 0.753 208 L CB -0.518 41.564 42.059 0.039 0.000 0.888 208 L HN 0.341 nan 8.230 nan 0.000 0.432 209 N N 0.162 118.810 118.700 -0.086 0.000 1.359 209 N HA -0.307 4.430 4.740 -0.006 0.000 0.145 209 N C 1.654 177.066 175.510 -0.163 0.000 0.572 209 N CA 1.871 54.844 53.050 -0.128 0.000 0.848 209 N CB -0.621 37.811 38.487 -0.093 0.000 1.223 209 N HN 0.373 nan 8.380 nan 0.000 1.196 210 I N -0.689 119.777 120.570 -0.173 0.000 4.896 210 I HA -0.458 3.709 4.170 -0.006 0.000 0.039 210 I C 2.138 178.215 176.117 -0.068 0.000 0.635 210 I CA 2.118 63.282 61.300 -0.226 0.000 0.257 210 I CB -2.161 35.429 38.000 -0.683 0.000 0.345 210 I HN 0.269 nan 8.210 nan 0.000 0.151 211 F N 1.309 121.222 119.950 -0.061 0.000 2.063 211 F HA -0.208 4.315 4.527 -0.006 0.000 0.298 211 F C 2.556 178.274 175.800 -0.137 0.000 1.105 211 F CA 2.101 60.039 58.000 -0.103 0.000 1.215 211 F CB -1.148 37.793 39.000 -0.098 0.000 0.972 211 F HN 0.325 nan 8.300 nan 0.000 0.483 212 K N -1.176 119.242 120.400 0.030 0.000 2.374 212 K HA -0.229 4.087 4.320 -0.006 0.000 0.202 212 K C 1.476 177.974 176.600 -0.170 0.000 1.044 212 K CA 1.424 57.638 56.287 -0.122 0.000 0.933 212 K CB -0.106 32.261 32.500 -0.222 0.000 0.745 212 K HN 0.374 nan 8.250 nan 0.000 0.474 213 H N -0.957 118.087 119.070 -0.044 0.000 3.977 213 H HA 0.177 4.730 4.556 -0.006 0.000 0.161 213 H C 0.730 175.973 175.328 -0.142 0.000 1.259 213 H CA -0.151 55.848 56.048 -0.081 0.000 1.319 213 H CB -0.223 29.508 29.762 -0.053 0.000 1.481 213 H HN -0.178 nan 8.280 nan 0.000 0.404 214 I N 1.018 121.607 120.570 0.031 0.000 3.312 214 I HA -0.275 3.891 4.170 -0.006 0.000 0.127 214 I C 1.093 177.074 176.117 -0.226 0.000 0.947 214 I CA 0.631 61.887 61.300 -0.073 0.000 2.758 214 I CB -0.930 37.049 38.000 -0.035 0.000 0.995 214 I HN 0.507 nan 8.210 nan 0.000 0.346 215 S N 2.481 118.047 115.700 -0.224 0.000 2.707 215 S HA 0.547 5.013 4.470 -0.006 0.000 0.276 215 S C 1.017 175.349 174.600 -0.448 0.000 1.179 215 S CA -0.202 57.839 58.200 -0.265 0.000 0.992 215 S CB 1.794 64.920 63.200 -0.123 0.000 1.030 215 S HN 0.350 nan 8.310 nan 0.000 0.554 216 V N 2.382 122.122 119.914 -0.290 0.000 2.255 216 V HA -0.031 4.086 4.120 -0.006 0.000 0.243 216 V C 2.598 178.699 176.094 0.011 0.000 1.038 216 V CA 1.817 64.016 62.300 -0.168 0.000 1.008 216 V CB -1.004 30.806 31.823 -0.022 0.000 0.645 216 V HN 0.914 nan 8.190 nan 0.000 0.449 217 K N -0.148 120.255 120.400 0.004 0.000 2.281 217 K HA -0.193 4.124 4.320 -0.006 0.000 0.203 217 K C 1.802 178.443 176.600 0.067 0.000 1.046 217 K CA 1.419 57.734 56.287 0.046 0.000 0.938 217 K CB -0.161 32.352 32.500 0.022 0.000 0.737 217 K HN 0.534 nan 8.250 nan 0.000 0.458 218 D N -0.227 120.188 120.400 0.025 0.000 2.120 218 D HA -0.095 4.542 4.640 -0.006 0.000 0.202 218 D C 1.585 177.995 176.300 0.184 0.000 0.972 218 D CA 0.752 54.791 54.000 0.064 0.000 0.837 218 D CB -0.175 40.626 40.800 0.001 0.000 0.989 218 D HN 0.118 nan 8.370 nan 0.000 0.469 219 F N 1.717 121.691 119.950 0.040 0.000 2.087 219 F HA -0.338 4.186 4.527 -0.005 0.000 0.304 219 F C 2.762 178.685 175.800 0.204 0.000 1.293 219 F CA 1.333 59.368 58.000 0.058 0.000 1.225 219 F CB -0.733 38.292 39.000 0.041 0.000 0.929 219 F HN -0.063 nan 8.300 nan 0.000 0.552 220 T N 0.353 115.182 114.554 0.458 0.000 2.731 220 T HA -0.375 3.972 4.350 -0.006 0.000 0.259 220 T C 1.850 176.671 174.700 0.202 0.000 1.054 220 T CA 2.274 64.530 62.100 0.259 0.000 1.158 220 T CB -0.994 67.992 68.868 0.197 0.000 0.847 220 T HN 0.524 nan 8.240 nan 0.000 0.470 221 S N 2.282 118.097 115.700 0.193 0.000 2.369 221 S HA -0.119 4.347 4.470 -0.006 0.000 0.225 221 S C 0.892 175.614 174.600 0.203 0.000 1.043 221 S CA 1.035 59.328 58.200 0.155 0.000 1.074 221 S CB -1.066 62.214 63.200 0.133 0.000 0.962 221 S HN 0.531 nan 8.310 nan 0.000 0.433 222 L N 0.740 122.142 121.223 0.298 0.000 2.399 222 L HA 0.744 5.081 4.340 -0.006 0.000 0.266 222 L C 1.052 178.122 176.870 0.333 0.000 1.114 222 L CA -0.457 54.649 54.840 0.443 0.000 0.804 222 L CB -0.618 41.870 42.059 0.715 0.000 1.146 222 L HN 0.150 nan 8.230 nan 0.000 0.451 223 G N 1.012 109.859 108.800 0.077 0.000 2.451 223 G HA2 0.171 4.128 3.960 -0.006 0.000 0.287 223 G HA3 0.171 4.128 3.960 -0.006 0.000 0.287 223 G C -0.547 173.936 174.900 -0.695 0.000 0.617 223 G CA 0.335 45.257 45.100 -0.296 0.000 2.108 223 G HN 0.347 nan 8.290 nan 0.000 0.531 224 F N -0.964 118.903 119.950 -0.138 0.000 2.664 224 F HA 0.442 4.965 4.527 -0.006 0.000 0.317 224 F C 0.191 175.831 175.800 -0.267 0.000 1.108 224 F CA -1.472 56.347 58.000 -0.301 0.000 0.957 224 F CB 2.102 40.714 39.000 -0.647 0.000 1.365 224 F HN 0.057 nan 8.300 nan 0.000 0.475 225 N N 0.700 119.324 118.700 -0.126 0.000 2.644 225 N HA 0.197 4.934 4.740 -0.006 0.000 0.313 225 N C 0.112 175.546 175.510 -0.126 0.000 1.863 225 N CA 0.035 53.019 53.050 -0.110 0.000 0.918 225 N CB 0.321 38.760 38.487 -0.081 0.000 1.320 225 N HN 0.720 nan 8.380 nan 0.000 0.490 226 E N -1.071 119.046 120.200 -0.138 0.000 3.486 226 E HA -0.435 3.912 4.350 -0.006 0.000 0.453 226 E C 1.047 177.671 176.600 0.040 0.000 1.625 226 E CA 3.170 59.598 56.400 0.047 0.000 1.338 226 E CB -0.887 28.863 29.700 0.084 0.000 1.366 226 E HN 0.077 nan 8.360 nan 0.000 0.423 227 V N 0.011 119.950 119.914 0.041 0.000 2.313 227 V HA -0.300 3.816 4.120 -0.006 0.000 0.253 227 V C 2.192 178.515 176.094 0.381 0.000 1.070 227 V CA 2.795 65.180 62.300 0.142 0.000 1.057 227 V CB -0.926 30.863 31.823 -0.055 0.000 0.653 227 V HN 0.440 nan 8.190 nan 0.000 0.450 228 F N 0.480 120.548 119.950 0.196 0.000 2.446 228 F HA 0.152 4.675 4.527 -0.005 0.000 0.292 228 F C 1.033 176.986 175.800 0.255 0.000 1.096 228 F CA 0.331 58.418 58.000 0.146 0.000 1.438 228 F CB 0.278 39.302 39.000 0.040 0.000 1.107 228 F HN 0.281 nan 8.300 nan 0.000 0.546 229 S N 0.113 116.121 115.700 0.513 0.000 2.546 229 S HA 0.680 5.147 4.470 -0.006 0.000 0.272 229 S C -0.928 173.868 174.600 0.327 0.000 1.140 229 S CA -0.979 57.552 58.200 0.552 0.000 0.920 229 S CB 2.768 66.123 63.200 0.258 0.000 1.083 229 S HN 0.104 nan 8.310 nan 0.000 0.476 230 R N 1.153 121.804 120.500 0.252 0.000 2.604 230 R HA 0.406 4.742 4.340 -0.006 0.000 0.281 230 R C -2.615 173.426 176.300 -0.431 0.000 1.020 230 R CA -2.194 53.561 56.100 -0.575 0.000 0.899 230 R CB 1.789 31.374 30.300 -1.192 0.000 1.205 230 R HN 0.289 nan 8.270 nan 0.000 0.450 231 P HA -0.307 nan 4.420 nan 0.000 0.218 231 P C 0.921 177.920 177.300 -0.503 0.000 1.150 231 P CA 1.431 63.932 63.100 -0.998 0.000 0.841 231 P CB 0.232 30.779 31.700 -1.921 0.000 0.784 232 E N -1.728 118.331 120.200 -0.234 0.000 2.268 232 E HA -0.189 4.158 4.350 -0.006 0.000 0.195 232 E C 1.392 178.138 176.600 0.244 0.000 0.995 232 E CA 0.939 57.395 56.400 0.094 0.000 0.836 232 E CB -0.939 28.764 29.700 0.005 0.000 0.763 232 E HN 0.296 nan 8.360 nan 0.000 0.491 233 W N 1.009 122.376 121.300 0.112 0.000 2.453 233 W HA 0.203 4.859 4.660 -0.005 0.000 0.289 233 W C 2.221 178.876 176.519 0.227 0.000 1.215 233 W CA 0.013 57.464 57.345 0.176 0.000 1.297 233 W CB -0.762 28.801 29.460 0.172 0.000 1.113 233 W HN 0.096 nan 8.180 nan 0.000 0.551 234 M N 0.186 120.014 119.600 0.380 0.000 2.426 234 M HA -0.160 4.317 4.480 -0.006 0.000 0.261 234 M C -0.396 176.157 176.300 0.421 0.000 1.068 234 M CA 1.307 56.781 55.300 0.289 0.000 1.066 234 M CB -0.207 32.332 32.600 -0.101 0.000 1.399 234 M HN -0.316 nan 8.290 nan 0.000 0.449 235 I N -0.552 120.245 120.570 0.378 0.000 2.530 235 I HA 0.286 4.452 4.170 -0.006 0.000 0.297 235 I C -0.740 175.556 176.117 0.298 0.000 1.011 235 I CA -0.781 60.727 61.300 0.346 0.000 1.107 235 I CB 1.195 39.363 38.000 0.280 0.000 1.285 235 I HN -0.125 nan 8.210 nan 0.000 0.436 236 L N 5.183 126.549 121.223 0.238 0.000 2.456 236 L HA 0.260 4.597 4.340 -0.006 0.000 0.277 236 L C 0.940 177.874 176.870 0.107 0.000 1.124 236 L CA 0.044 54.986 54.840 0.169 0.000 0.880 236 L CB 0.139 42.276 42.059 0.130 0.000 1.192 236 L HN 0.862 nan 8.230 nan 0.000 0.463 237 T N 0.550 115.180 114.554 0.127 0.000 3.000 237 T HA -0.031 4.315 4.350 -0.006 0.000 0.233 237 T C 0.436 175.172 174.700 0.060 0.000 1.036 237 T CA 0.132 62.292 62.100 0.101 0.000 1.333 237 T CB 0.138 69.085 68.868 0.132 0.000 1.048 237 T HN 0.657 nan 8.240 nan 0.000 0.425 238 C N 2.529 121.864 119.300 0.059 0.000 2.441 238 C HA 0.821 5.278 4.460 -0.006 0.000 0.318 238 C C -0.970 174.022 174.990 0.003 0.000 1.222 238 C CA -1.436 57.598 59.018 0.026 0.000 1.474 238 C CB 0.066 27.838 27.740 0.055 0.000 2.125 238 C HN 0.588 nan 8.230 nan 0.000 0.479 239 L N 8.608 129.814 121.223 -0.028 0.000 2.282 239 L HA 0.770 5.107 4.340 -0.006 0.000 0.288 239 L C -2.109 174.743 176.870 -0.030 0.000 1.033 239 L CA -2.106 52.713 54.840 -0.034 0.000 0.807 239 L CB 0.889 42.905 42.059 -0.071 0.000 1.209 239 L HN 0.657 nan 8.230 nan 0.000 0.423 240 P HA 0.134 nan 4.420 nan 0.000 0.274 240 P C -1.185 176.198 177.300 0.138 0.000 1.264 240 P CA -0.181 62.989 63.100 0.118 0.000 0.795 240 P CB 0.990 32.806 31.700 0.194 0.000 1.064 241 V N 0.539 120.543 119.914 0.149 0.000 2.623 241 V HA 0.329 4.446 4.120 -0.006 0.000 0.304 241 V C -2.363 173.499 176.094 -0.386 0.000 1.054 241 V CA -1.996 60.269 62.300 -0.059 0.000 0.882 241 V CB 1.989 33.758 31.823 -0.091 0.000 1.002 241 V HN 0.543 nan 8.190 nan 0.000 0.424 242 P HA 0.300 nan 4.420 nan 0.000 0.282 242 P C -2.749 174.290 177.300 -0.434 0.000 1.274 242 P CA -1.687 61.037 63.100 -0.626 0.000 0.770 242 P CB 1.035 32.633 31.700 -0.170 0.000 0.867 243 P HA 0.141 nan 4.420 nan 0.000 0.278 243 P C -1.750 175.436 177.300 -0.189 0.000 1.238 243 P CA -1.621 61.311 63.100 -0.281 0.000 0.794 243 P CB 0.036 31.565 31.700 -0.285 0.000 0.955 244 P HA -0.257 nan 4.420 nan 0.000 0.224 244 P C -1.094 176.156 177.300 -0.084 0.000 1.031 244 P CA 3.011 66.055 63.100 -0.093 0.000 1.031 244 P CB -2.655 28.994 31.700 -0.086 0.000 0.742 245 P HA -0.170 nan 4.420 nan 0.000 0.225 245 P C 1.830 179.098 177.300 -0.054 0.000 1.154 245 P CA 1.465 64.524 63.100 -0.068 0.000 0.885 245 P CB -0.706 30.950 31.700 -0.073 0.000 0.785 246 V N -0.760 119.117 119.914 -0.062 0.000 2.591 246 V HA -0.084 4.033 4.120 -0.006 0.000 0.249 246 V C 1.561 177.632 176.094 -0.039 0.000 1.053 246 V CA 1.308 63.581 62.300 -0.045 0.000 1.068 246 V CB -0.812 30.979 31.823 -0.054 0.000 0.689 246 V HN 0.249 nan 8.190 nan 0.000 0.462 247 R N 0.745 121.219 120.500 -0.043 0.000 2.855 247 R HA 0.338 4.674 4.340 -0.006 0.000 0.261 247 R C -3.194 173.086 176.300 -0.034 0.000 1.826 247 R CA -1.009 55.072 56.100 -0.030 0.000 1.435 247 R CB 1.722 32.018 30.300 -0.008 0.000 1.383 247 R HN 0.181 nan 8.270 nan 0.000 0.583 248 P HA 0.434 nan 4.420 nan 0.000 0.318 248 P C -0.451 176.823 177.300 -0.044 0.000 1.315 248 P CA -0.034 63.041 63.100 -0.042 0.000 0.821 248 P CB 1.133 32.805 31.700 -0.047 0.000 2.031 249 S N -0.750 114.918 115.700 -0.053 0.000 3.848 249 S HA 0.478 4.945 4.470 -0.006 0.000 0.266 249 S C 0.795 175.337 174.600 -0.098 0.000 1.050 249 S CA -0.381 57.779 58.200 -0.066 0.000 1.322 249 S CB -0.638 62.531 63.200 -0.052 0.000 1.264 249 S HN 0.770 nan 8.310 nan 0.000 0.751 250 I N 0.345 120.849 120.570 -0.109 0.000 3.944 250 I HA -0.368 3.799 4.170 -0.006 0.000 0.142 250 I C 0.331 176.272 176.117 -0.293 0.000 1.034 250 I CA 1.792 62.998 61.300 -0.157 0.000 2.464 250 I CB -1.704 36.223 38.000 -0.121 0.000 1.345 250 I HN 1.272 nan 8.210 nan 0.000 0.424 251 S N -0.530 114.936 115.700 -0.389 0.000 6.176 251 S HA 0.383 4.850 4.470 -0.006 0.000 0.108 251 S C 0.633 174.687 174.600 -0.911 0.000 1.234 251 S CA 0.473 58.176 58.200 -0.827 0.000 1.275 251 S CB -0.367 62.037 63.200 -1.326 0.000 1.979 251 S HN 1.050 nan 8.310 nan 0.000 0.622 252 F N 3.452 123.399 119.950 -0.005 0.000 2.819 252 F HA 0.417 4.940 4.527 -0.006 0.000 0.325 252 F C 1.359 177.157 175.800 -0.003 0.000 1.041 252 F CA -0.260 57.737 58.000 -0.005 0.000 1.184 252 F CB -0.447 38.550 39.000 -0.004 0.000 1.019 252 F HN 0.451 nan 8.300 nan 0.000 0.590 253 N N 2.038 120.765 118.700 0.045 0.000 2.201 253 N HA -0.046 4.691 4.740 -0.006 0.000 0.246 253 N C -0.463 175.054 175.510 0.011 0.000 1.243 253 N CA 0.721 53.798 53.050 0.045 0.000 0.894 253 N CB -0.378 38.104 38.487 -0.008 0.000 0.944 253 N HN 0.296 nan 8.380 nan 0.000 0.408 254 E N -3.119 117.080 120.200 -0.002 0.000 7.511 254 E HA 0.040 4.387 4.350 -0.006 0.000 0.215 254 E C -0.545 176.062 176.600 0.011 0.000 0.871 254 E CA 0.709 57.106 56.400 -0.005 0.000 1.658 254 E CB -1.350 28.342 29.700 -0.012 0.000 0.896 254 E HN 1.026 nan 8.360 nan 0.000 0.262 255 S N 1.259 116.962 115.700 0.006 0.000 1.358 255 S HA -0.272 4.194 4.470 -0.006 0.000 0.249 255 S C 0.351 174.962 174.600 0.018 0.000 0.679 255 S CA 0.748 58.953 58.200 0.009 0.000 1.114 255 S CB -0.833 62.374 63.200 0.012 0.000 1.217 255 S HN 0.403 nan 8.310 nan 0.000 0.495 256 Q N 4.144 123.965 119.800 0.033 0.000 2.490 256 Q HA 0.537 4.874 4.340 -0.006 0.000 0.226 256 Q C 1.007 177.031 176.000 0.040 0.000 1.132 256 Q CA 0.175 56.009 55.803 0.051 0.000 0.928 256 Q CB 0.842 29.630 28.738 0.084 0.000 1.299 256 Q HN 0.583 nan 8.270 nan 0.000 0.528 257 R N 1.183 121.696 120.500 0.020 0.000 3.326 257 R HA -0.354 3.983 4.340 -0.006 0.000 0.638 257 R C 0.341 176.618 176.300 -0.038 0.000 0.241 257 R CA 1.982 58.084 56.100 0.005 0.000 1.950 257 R CB -1.593 28.733 30.300 0.043 0.000 0.768 257 R HN 0.717 nan 8.270 nan 0.000 0.650 258 G N -0.288 108.505 108.800 -0.012 0.000 4.316 258 G HA2 -0.018 3.938 3.960 -0.006 0.000 0.196 258 G HA3 -0.018 3.938 3.960 -0.006 0.000 0.196 258 G C -0.833 174.030 174.900 -0.062 0.000 1.059 258 G CA 0.121 45.182 45.100 -0.065 0.000 0.917 258 G HN 0.663 nan 8.290 nan 0.000 0.309 259 E N 1.977 122.170 120.200 -0.012 0.000 2.641 259 E HA 0.129 4.476 4.350 -0.006 0.000 0.272 259 E C -0.420 176.079 176.600 -0.169 0.000 0.990 259 E CA 0.660 57.036 56.400 -0.039 0.000 0.971 259 E CB 0.608 30.353 29.700 0.075 0.000 0.967 259 E HN 0.334 nan 8.360 nan 0.000 0.464 260 D N 1.479 121.810 120.400 -0.114 0.000 2.363 260 D HA -0.041 4.595 4.640 -0.006 0.000 0.240 260 D C 0.368 176.577 176.300 -0.152 0.000 1.236 260 D CA 0.004 53.929 54.000 -0.124 0.000 0.927 260 D CB 0.551 41.316 40.800 -0.057 0.000 1.150 260 D HN 0.382 nan 8.370 nan 0.000 0.458 261 D N 0.337 120.662 120.400 -0.126 0.000 2.363 261 D HA -0.003 4.634 4.640 -0.006 0.000 0.226 261 D C 1.721 178.068 176.300 0.077 0.000 1.020 261 D CA 0.275 54.230 54.000 -0.074 0.000 0.892 261 D CB 0.349 41.103 40.800 -0.077 0.000 0.900 261 D HN 0.258 nan 8.370 nan 0.000 0.531 262 L N 0.174 121.447 121.223 0.082 0.000 2.298 262 L HA -0.022 4.314 4.340 -0.006 0.000 0.209 262 L C 2.110 179.079 176.870 0.165 0.000 1.084 262 L CA 0.784 55.721 54.840 0.162 0.000 0.816 262 L CB -0.460 41.683 42.059 0.140 0.000 0.967 262 L HN -0.013 nan 8.230 nan 0.000 0.460 263 T N -0.407 114.231 114.554 0.139 0.000 2.821 263 T HA -0.148 4.199 4.350 -0.006 0.000 0.267 263 T C 1.748 176.587 174.700 0.232 0.000 1.046 263 T CA 1.244 63.432 62.100 0.147 0.000 1.139 263 T CB -0.391 68.556 68.868 0.132 0.000 0.871 263 T HN 0.120 nan 8.240 nan 0.000 0.454 264 F N 1.300 121.258 119.950 0.013 0.000 2.102 264 F HA -0.030 4.494 4.527 -0.006 0.000 0.298 264 F C 2.681 178.482 175.800 0.002 0.000 1.105 264 F CA 0.870 58.875 58.000 0.009 0.000 1.239 264 F CB -0.013 39.002 39.000 0.025 0.000 0.991 264 F HN 0.021 nan 8.300 nan 0.000 0.474 265 K N -0.058 120.495 120.400 0.255 0.000 2.228 265 K HA 0.003 4.320 4.320 -0.006 0.000 0.202 265 K C 1.056 177.682 176.600 0.044 0.000 1.051 265 K CA 0.319 56.702 56.287 0.161 0.000 0.960 265 K CB 0.024 32.671 32.500 0.246 0.000 0.743 265 K HN 0.160 nan 8.250 nan 0.000 0.458 266 L N 0.808 122.059 121.223 0.047 0.000 2.912 266 L HA 0.051 4.388 4.340 -0.006 0.000 0.246 266 L C 0.533 177.349 176.870 -0.090 0.000 1.371 266 L CA 0.180 54.963 54.840 -0.095 0.000 1.196 266 L CB -0.345 41.675 42.059 -0.066 0.000 1.596 266 L HN 0.216 nan 8.230 nan 0.000 0.429 267 A N -1.125 121.631 122.820 -0.106 0.000 1.594 267 A HA 0.033 4.349 4.320 -0.006 0.000 0.200 267 A C 1.474 178.946 177.584 -0.187 0.000 1.674 267 A CA -0.070 51.889 52.037 -0.130 0.000 1.272 267 A CB 0.037 18.957 19.000 -0.132 0.000 1.157 267 A HN 0.305 nan 8.150 nan 0.000 0.486 268 D N 0.798 121.044 120.400 -0.257 0.000 2.276 268 D HA -0.206 4.431 4.640 -0.006 0.000 0.200 268 D C 1.645 177.698 176.300 -0.411 0.000 1.004 268 D CA 1.834 55.533 54.000 -0.501 0.000 0.898 268 D CB -0.139 40.033 40.800 -1.047 0.000 0.906 268 D HN 0.559 nan 8.370 nan 0.000 0.457 269 I N 0.023 120.443 120.570 -0.250 0.000 2.270 269 I HA -0.153 4.014 4.170 -0.006 0.000 0.239 269 I C 2.400 178.440 176.117 -0.128 0.000 1.080 269 I CA 0.257 61.472 61.300 -0.141 0.000 1.383 269 I CB -0.033 37.870 38.000 -0.161 0.000 1.097 269 I HN -0.093 nan 8.210 nan 0.000 0.420 270 L N 0.980 122.119 121.223 -0.141 0.000 2.549 270 L HA -0.145 4.191 4.340 -0.006 0.000 0.229 270 L C 2.143 178.943 176.870 -0.116 0.000 1.158 270 L CA 1.153 55.918 54.840 -0.125 0.000 0.842 270 L CB -0.303 41.686 42.059 -0.117 0.000 0.952 270 L HN 0.129 nan 8.230 nan 0.000 0.452 271 K N -0.174 120.152 120.400 -0.122 0.000 1.995 271 K HA -0.067 4.250 4.320 -0.006 0.000 0.217 271 K C 2.033 178.585 176.600 -0.081 0.000 1.030 271 K CA 1.254 57.475 56.287 -0.109 0.000 0.971 271 K CB -0.477 31.943 32.500 -0.134 0.000 0.775 271 K HN 0.190 nan 8.250 nan 0.000 0.446 272 A N 0.981 123.767 122.820 -0.057 0.000 2.093 272 A HA -0.256 4.061 4.320 -0.006 0.000 0.222 272 A C 1.848 179.417 177.584 -0.026 0.000 1.162 272 A CA 2.290 54.318 52.037 -0.015 0.000 0.655 272 A CB -1.139 17.892 19.000 0.051 0.000 0.805 272 A HN 0.668 nan 8.150 nan 0.000 0.461 273 N N -0.621 118.050 118.700 -0.048 0.000 2.381 273 N HA -0.012 4.725 4.740 -0.006 0.000 0.182 273 N C 1.233 176.699 175.510 -0.074 0.000 1.025 273 N CA 1.132 54.149 53.050 -0.056 0.000 0.888 273 N CB -0.207 38.235 38.487 -0.074 0.000 0.965 273 N HN 0.555 nan 8.380 nan 0.000 0.438 274 I N -0.970 119.547 120.570 -0.089 0.000 3.783 274 I HA -0.021 4.145 4.170 -0.006 0.000 0.310 274 I C 1.825 177.898 176.117 -0.074 0.000 1.274 274 I CA 0.088 61.326 61.300 -0.103 0.000 1.294 274 I CB -0.071 37.836 38.000 -0.155 0.000 1.051 274 I HN 0.187 nan 8.210 nan 0.000 0.435 275 S N 1.235 116.902 115.700 -0.054 0.000 2.440 275 S HA -0.143 4.324 4.470 -0.006 0.000 0.238 275 S C 1.779 176.365 174.600 -0.023 0.000 1.010 275 S CA 1.344 59.524 58.200 -0.034 0.000 0.972 275 S CB 0.039 63.227 63.200 -0.020 0.000 0.774 275 S HN 0.357 nan 8.310 nan 0.000 0.501 276 L N 0.976 122.185 121.223 -0.024 0.000 2.515 276 L HA 0.375 4.712 4.340 -0.006 0.000 0.223 276 L C 2.317 179.177 176.870 -0.016 0.000 1.079 276 L CA 0.801 55.634 54.840 -0.010 0.000 0.857 276 L CB -0.256 41.802 42.059 -0.002 0.000 1.050 276 L HN 0.246 nan 8.230 nan 0.000 0.476 277 E N -1.136 119.036 120.200 -0.047 0.000 2.347 277 E HA -0.053 4.294 4.350 -0.006 0.000 0.196 277 E C 0.376 176.950 176.600 -0.044 0.000 1.008 277 E CA 0.663 57.022 56.400 -0.068 0.000 0.852 277 E CB -0.015 29.613 29.700 -0.120 0.000 0.783 277 E HN 0.260 nan 8.360 nan 0.000 0.505 278 T N 1.417 115.950 114.554 -0.034 0.000 3.285 278 T HA 0.275 4.622 4.350 -0.006 0.000 0.232 278 T C 0.793 175.494 174.700 0.002 0.000 0.973 278 T CA 0.070 62.160 62.100 -0.018 0.000 1.023 278 T CB -0.057 68.792 68.868 -0.031 0.000 1.158 278 T HN 0.078 nan 8.240 nan 0.000 0.590 279 L N -1.160 120.076 121.223 0.021 0.000 1.492 279 L HA 0.170 4.507 4.340 -0.006 0.000 0.135 279 L C 1.980 178.873 176.870 0.039 0.000 1.363 279 L CA 0.057 54.909 54.840 0.020 0.000 1.164 279 L CB -0.025 42.043 42.059 0.015 0.000 2.427 279 L HN 0.184 nan 8.230 nan 0.000 0.476 280 E N 0.685 120.927 120.200 0.070 0.000 2.097 280 E HA -0.207 4.140 4.350 -0.006 0.000 0.196 280 E C 1.200 177.877 176.600 0.128 0.000 1.000 280 E CA 1.583 58.047 56.400 0.107 0.000 0.804 280 E CB 0.029 29.831 29.700 0.170 0.000 0.740 280 E HN 0.526 nan 8.360 nan 0.000 0.454 281 H N -1.127 117.933 119.070 -0.016 0.000 2.672 281 H HA 0.272 4.824 4.556 -0.005 0.000 0.277 281 H C 0.047 175.364 175.328 -0.018 0.000 1.074 281 H CA -0.380 55.659 56.048 -0.016 0.000 1.173 281 H CB 0.552 30.305 29.762 -0.015 0.000 1.558 281 H HN -0.009 nan 8.280 nan 0.000 0.539 282 N N -1.388 117.359 118.700 0.079 0.000 3.229 282 N HA 0.179 4.916 4.740 -0.006 0.000 0.315 282 N C 1.073 176.589 175.510 0.009 0.000 1.520 282 N CA 0.191 53.260 53.050 0.032 0.000 0.769 282 N CB 0.603 39.103 38.487 0.022 0.000 1.766 282 N HN 0.059 nan 8.380 nan 0.000 0.618 283 G N 0.186 108.984 108.800 -0.003 0.000 5.641 283 G HA2 -0.287 3.669 3.960 -0.006 0.000 0.228 283 G HA3 -0.287 3.669 3.960 -0.006 0.000 0.228 283 G C 0.320 175.203 174.900 -0.029 0.000 0.950 283 G CA 1.224 46.315 45.100 -0.015 0.000 0.487 283 G HN 0.927 nan 8.290 nan 0.000 0.930 284 A N 0.708 123.508 122.820 -0.034 0.000 2.040 284 A HA 0.171 4.488 4.320 -0.006 0.000 0.331 284 A C -0.730 176.784 177.584 -0.116 0.000 0.907 284 A CA 0.824 52.824 52.037 -0.061 0.000 1.454 284 A CB -0.191 18.765 19.000 -0.073 0.000 0.658 284 A HN 0.497 nan 8.150 nan 0.000 0.276 285 P HA 0.364 nan 4.420 nan 0.000 0.192 285 P C 0.653 177.947 177.300 -0.009 0.000 1.882 285 P CA -0.658 62.386 63.100 -0.094 0.000 1.239 285 P CB 0.400 32.082 31.700 -0.030 0.000 1.681 286 H N 1.173 120.277 119.070 0.056 0.000 1.457 286 H HA -0.266 4.287 4.556 -0.006 0.000 0.091 286 H C 0.189 175.647 175.328 0.217 0.000 1.209 286 H CA 2.002 58.109 56.048 0.098 0.000 1.899 286 H CB -1.320 28.469 29.762 0.045 0.000 2.255 286 H HN 0.563 nan 8.280 nan 0.000 0.960 287 H N 0.283 119.448 119.070 0.158 0.000 2.432 287 H HA 0.580 5.133 4.556 -0.006 0.000 0.226 287 H C 0.143 175.507 175.328 0.060 0.000 1.634 287 H CA 0.469 56.569 56.048 0.086 0.000 1.253 287 H CB 0.189 29.988 29.762 0.062 0.000 1.584 287 H HN 0.556 nan 8.280 nan 0.000 0.545 288 A N 1.383 124.281 122.820 0.130 0.000 2.504 288 A HA 0.165 4.482 4.320 -0.006 0.000 0.233 288 A C 1.019 178.629 177.584 0.043 0.000 1.079 288 A CA -0.202 51.876 52.037 0.068 0.000 1.080 288 A CB -0.406 18.632 19.000 0.063 0.000 1.144 288 A HN 0.447 nan 8.150 nan 0.000 0.491 289 I N 0.401 121.001 120.570 0.050 0.000 2.558 289 I HA -0.106 4.060 4.170 -0.006 0.000 0.229 289 I C 2.062 178.187 176.117 0.014 0.000 1.060 289 I CA 1.137 62.459 61.300 0.037 0.000 1.396 289 I CB -0.278 37.756 38.000 0.055 0.000 1.207 289 I HN 0.401 nan 8.210 nan 0.000 0.423 290 E N 1.169 121.365 120.200 -0.007 0.000 2.461 290 E HA -0.287 4.059 4.350 -0.006 0.000 0.210 290 E C 1.580 178.170 176.600 -0.017 0.000 1.079 290 E CA 1.138 57.523 56.400 -0.025 0.000 0.880 290 E CB -0.386 29.259 29.700 -0.091 0.000 0.799 290 E HN 0.592 nan 8.360 nan 0.000 0.548 291 E N 0.581 120.776 120.200 -0.009 0.000 2.072 291 E HA -0.063 4.283 4.350 -0.006 0.000 0.190 291 E C 1.218 177.814 176.600 -0.006 0.000 0.982 291 E CA 1.016 57.410 56.400 -0.010 0.000 0.803 291 E CB 0.030 29.727 29.700 -0.005 0.000 0.755 291 E HN 0.235 nan 8.360 nan 0.000 0.453 292 A N 1.518 124.342 122.820 0.005 0.000 3.282 292 A HA 0.126 4.442 4.320 -0.006 0.000 0.287 292 A C 0.684 178.285 177.584 0.029 0.000 1.366 292 A CA -0.278 51.768 52.037 0.015 0.000 1.069 292 A CB -0.015 18.993 19.000 0.013 0.000 1.109 292 A HN 0.081 nan 8.150 nan 0.000 0.638 293 E N -0.767 119.455 120.200 0.037 0.000 2.568 293 E HA -0.031 4.315 4.350 -0.006 0.000 0.220 293 E C 1.359 178.007 176.600 0.081 0.000 0.869 293 E CA 0.932 57.361 56.400 0.047 0.000 1.268 293 E CB 0.488 30.210 29.700 0.036 0.000 1.252 293 E HN 0.672 nan 8.360 nan 0.000 0.606 294 S N 0.309 116.057 115.700 0.080 0.000 2.486 294 S HA 0.029 4.496 4.470 -0.006 0.000 0.220 294 S C 1.860 176.533 174.600 0.121 0.000 1.011 294 S CA -0.033 58.236 58.200 0.114 0.000 0.921 294 S CB 0.159 63.400 63.200 0.068 0.000 0.785 294 S HN -0.032 nan 8.310 nan 0.000 0.517 295 L N 1.530 122.797 121.223 0.074 0.000 1.982 295 L HA 0.277 4.614 4.340 -0.006 0.000 0.206 295 L C 2.318 179.341 176.870 0.256 0.000 1.078 295 L CA 1.401 56.297 54.840 0.094 0.000 0.749 295 L CB -1.247 40.865 42.059 0.089 0.000 0.894 295 L HN 0.311 nan 8.230 nan 0.000 0.436 296 L N -0.609 120.724 121.223 0.184 0.000 2.197 296 L HA -0.277 4.060 4.340 -0.006 0.000 0.215 296 L C 2.556 179.526 176.870 0.166 0.000 1.095 296 L CA 1.939 56.875 54.840 0.161 0.000 0.764 296 L CB -0.380 41.726 42.059 0.079 0.000 0.897 296 L HN 0.565 nan 8.230 nan 0.000 0.436 297 Q N -1.171 118.740 119.800 0.186 0.000 2.033 297 Q HA -0.220 4.116 4.340 -0.006 0.000 0.196 297 Q C 2.198 178.335 176.000 0.227 0.000 0.970 297 Q CA 1.786 57.706 55.803 0.194 0.000 0.828 297 Q CB -0.644 28.242 28.738 0.247 0.000 0.895 297 Q HN 0.444 nan 8.270 nan 0.000 0.440 298 F N 0.702 120.699 119.950 0.078 0.000 2.063 298 F HA -0.319 4.204 4.527 -0.006 0.000 0.298 298 F C 1.886 177.685 175.800 -0.001 0.000 1.109 298 F CA 2.503 60.512 58.000 0.015 0.000 1.212 298 F CB -0.457 38.505 39.000 -0.063 0.000 0.973 298 F HN 0.287 nan 8.300 nan 0.000 0.480 299 H N -0.897 118.375 119.070 0.337 0.000 2.421 299 H HA -0.105 4.448 4.556 -0.006 0.000 0.298 299 H C 2.029 177.367 175.328 0.016 0.000 1.087 299 H CA 1.601 57.718 56.048 0.115 0.000 1.330 299 H CB -0.211 29.673 29.762 0.202 0.000 1.388 299 H HN 0.206 nan 8.280 nan 0.000 0.526 300 V N 0.238 120.241 119.914 0.148 0.000 3.444 300 V HA -0.098 4.019 4.120 -0.006 0.000 0.271 300 V C 1.979 178.129 176.094 0.093 0.000 1.188 300 V CA 1.185 63.545 62.300 0.098 0.000 1.168 300 V CB -0.542 31.316 31.823 0.060 0.000 0.810 300 V HN 0.545 nan 8.190 nan 0.000 0.500 301 A N -0.926 121.900 122.820 0.009 0.000 1.993 301 A HA -0.004 4.313 4.320 -0.006 0.000 0.207 301 A C 2.294 179.834 177.584 -0.074 0.000 1.224 301 A CA 1.286 53.310 52.037 -0.023 0.000 0.749 301 A CB -0.437 18.525 19.000 -0.063 0.000 0.884 301 A HN 0.346 nan 8.150 nan 0.000 0.467 302 T N -1.085 113.351 114.554 -0.198 0.000 2.746 302 T HA -0.179 4.168 4.350 -0.006 0.000 0.267 302 T C 1.683 176.394 174.700 0.020 0.000 1.039 302 T CA 1.840 63.830 62.100 -0.183 0.000 1.142 302 T CB -0.436 68.192 68.868 -0.400 0.000 0.866 302 T HN 0.586 nan 8.240 nan 0.000 0.444 303 Y N -0.018 120.261 120.300 -0.034 0.000 2.651 303 Y HA 0.073 4.620 4.550 -0.006 0.000 0.296 303 Y C 1.801 177.700 175.900 -0.001 0.000 1.150 303 Y CA 0.944 59.046 58.100 0.004 0.000 1.348 303 Y CB -0.160 38.309 38.460 0.016 0.000 0.983 303 Y HN 0.194 nan 8.280 nan 0.000 0.555 304 M N -0.701 118.865 119.600 -0.057 0.000 2.304 304 M HA 0.189 4.666 4.480 -0.006 0.000 0.281 304 M C -0.989 175.288 176.300 -0.038 0.000 1.014 304 M CA 0.169 55.399 55.300 -0.116 0.000 1.054 304 M CB 0.904 33.498 32.600 -0.011 0.000 1.551 304 M HN 0.141 nan 8.290 nan 0.000 0.548 305 D N -0.312 120.066 120.400 -0.036 0.000 2.783 305 D HA 0.202 4.839 4.640 -0.006 0.000 0.253 305 D C -1.755 174.515 176.300 -0.050 0.000 1.206 305 D CA -0.251 53.734 54.000 -0.026 0.000 0.740 305 D CB 0.725 41.528 40.800 0.006 0.000 1.313 305 D HN 0.362 nan 8.370 nan 0.000 0.427 306 N N 1.020 119.699 118.700 -0.036 0.000 2.628 306 N HA 0.085 4.822 4.740 -0.006 0.000 0.235 306 N C -1.163 174.337 175.510 -0.016 0.000 1.390 306 N CA -0.344 52.683 53.050 -0.038 0.000 1.380 306 N CB 0.669 39.133 38.487 -0.038 0.000 1.444 306 N HN 0.143 nan 8.380 nan 0.000 0.573 307 D N 1.433 121.827 120.400 -0.011 0.000 2.720 307 D HA 0.176 4.813 4.640 -0.006 0.000 0.285 307 D C 0.120 176.418 176.300 -0.002 0.000 1.359 307 D CA -0.115 53.881 54.000 -0.006 0.000 0.818 307 D CB 0.813 41.608 40.800 -0.009 0.000 1.108 307 D HN 0.319 nan 8.370 nan 0.000 0.474 308 I N -0.866 119.703 120.570 -0.002 0.000 3.660 308 I HA 0.509 4.676 4.170 -0.006 0.000 0.285 308 I C 0.755 176.878 176.117 0.010 0.000 1.266 308 I CA -1.846 59.455 61.300 0.002 0.000 0.987 308 I CB -0.517 37.482 38.000 -0.002 0.000 1.417 308 I HN -0.193 nan 8.210 nan 0.000 0.590 309 A N 0.881 123.708 122.820 0.012 0.000 2.545 309 A HA 0.493 4.809 4.320 -0.006 0.000 0.253 309 A C 1.039 178.641 177.584 0.030 0.000 1.074 309 A CA 0.733 52.781 52.037 0.017 0.000 0.760 309 A CB -1.589 17.419 19.000 0.014 0.000 1.005 309 A HN 1.932 nan 8.150 nan 0.000 0.506 310 G N 2.225 111.044 108.800 0.031 0.000 2.742 310 G HA2 -0.179 3.777 3.960 -0.006 0.000 0.255 310 G HA3 -0.179 3.777 3.960 -0.006 0.000 0.255 310 G C -0.122 174.810 174.900 0.053 0.000 1.322 310 G CA 0.158 45.284 45.100 0.043 0.000 0.967 310 G HN 1.124 nan 8.290 nan 0.000 0.556 311 Q N 1.851 121.701 119.800 0.083 0.000 2.241 311 Q HA 0.485 4.821 4.340 -0.006 0.000 0.254 311 Q C -1.298 174.763 176.000 0.102 0.000 0.917 311 Q CA -1.377 54.483 55.803 0.096 0.000 0.919 311 Q CB 2.255 31.066 28.738 0.121 0.000 1.237 311 Q HN 0.516 nan 8.270 nan 0.000 0.434 312 P HA 0.023 nan 4.420 nan 0.000 0.204 312 P C -0.164 177.193 177.300 0.095 0.000 1.214 312 P CA 0.673 63.811 63.100 0.063 0.000 0.902 312 P CB 0.728 32.455 31.700 0.045 0.000 0.733 313 Q N -2.982 116.880 119.800 0.102 0.000 2.694 313 Q HA 0.458 4.795 4.340 -0.006 0.000 0.315 313 Q C -0.913 175.153 176.000 0.110 0.000 0.690 313 Q CA -0.190 55.695 55.803 0.136 0.000 1.083 313 Q CB -0.574 28.256 28.738 0.153 0.000 1.183 313 Q HN 0.339 nan 8.270 nan 0.000 0.473 314 A N -0.881 122.012 122.820 0.123 0.000 3.524 314 A HA 0.329 4.646 4.320 -0.006 0.000 0.060 314 A C -1.365 176.293 177.584 0.123 0.000 1.309 314 A CA -0.190 51.908 52.037 0.102 0.000 1.276 314 A CB -1.003 18.047 19.000 0.083 0.000 0.984 314 A HN 0.236 nan 8.150 nan 0.000 0.456 315 L N -0.400 120.896 121.223 0.121 0.000 2.356 315 L HA 0.401 4.738 4.340 -0.006 0.000 0.165 315 L C 1.496 178.485 176.870 0.197 0.000 0.926 315 L CA 2.412 57.335 54.840 0.139 0.000 1.088 315 L CB -0.834 41.290 42.059 0.108 0.000 1.518 315 L HN 0.866 nan 8.230 nan 0.000 0.470 316 Q N -1.289 118.616 119.800 0.175 0.000 2.480 316 Q HA -0.156 4.181 4.340 -0.006 0.000 0.259 316 Q C -0.809 175.334 176.000 0.238 0.000 0.810 316 Q CA 0.816 56.700 55.803 0.134 0.000 1.175 316 Q CB -0.869 27.916 28.738 0.078 0.000 1.300 316 Q HN 0.550 nan 8.270 nan 0.000 0.675 317 K N -0.728 119.908 120.400 0.394 0.000 1.387 317 K HA 0.069 4.386 4.320 -0.006 0.000 1.047 317 K C -1.411 175.318 176.600 0.215 0.000 0.620 317 K CA 0.501 57.072 56.287 0.473 0.000 0.835 317 K CB -1.148 31.659 32.500 0.511 0.000 3.475 317 K HN 0.427 nan 8.250 nan 0.000 0.118 318 S N -1.609 114.160 115.700 0.114 0.000 2.409 318 S HA 0.206 4.673 4.470 -0.006 0.000 0.290 318 S C 0.397 175.037 174.600 0.066 0.000 0.852 318 S CA -0.760 57.465 58.200 0.041 0.000 1.301 318 S CB -0.489 62.701 63.200 -0.015 0.000 1.610 318 S HN 0.638 nan 8.310 nan 0.000 0.432 319 G N 1.069 109.895 108.800 0.043 0.000 3.372 319 G HA2 0.527 4.484 3.960 -0.006 0.000 0.178 319 G HA3 0.527 4.484 3.960 -0.006 0.000 0.178 319 G C 0.155 175.085 174.900 0.050 0.000 1.817 319 G CA 0.108 45.238 45.100 0.050 0.000 0.996 319 G HN 1.146 nan 8.290 nan 0.000 0.559 320 R N 0.625 121.149 120.500 0.040 0.000 2.367 320 R HA -0.135 4.202 4.340 -0.006 0.000 0.299 320 R C -2.464 173.856 176.300 0.032 0.000 0.981 320 R CA 1.186 57.307 56.100 0.035 0.000 1.055 320 R CB -0.982 29.332 30.300 0.024 0.000 0.825 320 R HN 0.416 nan 8.270 nan 0.000 0.431 321 P HA 0.163 nan 4.420 nan 0.000 0.530 321 P C 0.283 177.607 177.300 0.040 0.000 0.774 321 P CA 1.160 64.283 63.100 0.038 0.000 2.482 321 P CB 0.586 32.300 31.700 0.022 0.000 1.143 322 V N -3.959 115.969 119.914 0.023 0.000 5.138 322 V HA 0.471 4.587 4.120 -0.006 0.000 0.125 322 V C 0.619 176.714 176.094 0.002 0.000 1.240 322 V CA 0.585 62.897 62.300 0.020 0.000 0.974 322 V CB 0.159 32.011 31.823 0.049 0.000 1.164 322 V HN 0.337 nan 8.190 nan 0.000 0.660 323 K N 1.071 121.468 120.400 -0.006 0.000 3.490 323 K HA 0.080 4.396 4.320 -0.006 0.000 0.307 323 K C 0.986 177.565 176.600 -0.035 0.000 2.946 323 K CA 1.106 57.381 56.287 -0.020 0.000 1.550 323 K CB -0.702 31.797 32.500 -0.002 0.000 3.184 323 K HN 1.566 nan 8.250 nan 0.000 0.355 324 S N 1.538 117.214 115.700 -0.040 0.000 3.018 324 S HA -0.231 4.236 4.470 -0.006 0.000 0.274 324 S C 1.048 175.557 174.600 -0.153 0.000 1.300 324 S CA 1.536 59.684 58.200 -0.087 0.000 1.179 324 S CB -2.001 61.167 63.200 -0.054 0.000 1.427 324 S HN 0.628 nan 8.310 nan 0.000 0.668 325 I N -1.652 118.822 120.570 -0.159 0.000 4.198 325 I HA -0.495 3.672 4.170 -0.006 0.000 0.096 325 I C 2.156 178.203 176.117 -0.116 0.000 0.540 325 I CA 2.509 63.711 61.300 -0.163 0.000 1.132 325 I CB -2.060 35.772 38.000 -0.281 0.000 1.005 325 I HN 0.635 nan 8.210 nan 0.000 0.186 326 R N 1.289 121.728 120.500 -0.102 0.000 2.075 326 R HA -0.099 4.238 4.340 -0.006 0.000 0.230 326 R C 2.311 178.570 176.300 -0.069 0.000 1.140 326 R CA 2.215 58.269 56.100 -0.077 0.000 0.928 326 R CB -0.266 30.013 30.300 -0.036 0.000 0.834 326 R HN 0.565 nan 8.270 nan 0.000 0.429 327 A N 0.868 123.654 122.820 -0.057 0.000 2.067 327 A HA -0.101 4.216 4.320 -0.006 0.000 0.219 327 A C 2.159 179.712 177.584 -0.052 0.000 1.158 327 A CA 0.837 52.844 52.037 -0.049 0.000 0.661 327 A CB -0.358 18.618 19.000 -0.040 0.000 0.801 327 A HN 0.321 nan 8.150 nan 0.000 0.452 328 R N -0.430 120.034 120.500 -0.059 0.000 2.070 328 R HA -0.051 4.285 4.340 -0.006 0.000 0.232 328 R C 1.922 178.189 176.300 -0.056 0.000 1.138 328 R CA 1.578 57.645 56.100 -0.055 0.000 0.936 328 R CB -0.518 29.746 30.300 -0.060 0.000 0.839 328 R HN 0.493 nan 8.270 nan 0.000 0.429 329 L N 1.048 122.230 121.223 -0.069 0.000 2.187 329 L HA -0.111 4.225 4.340 -0.006 0.000 0.213 329 L C 1.308 178.136 176.870 -0.070 0.000 1.100 329 L CA 0.999 55.793 54.840 -0.076 0.000 0.765 329 L CB -0.528 41.465 42.059 -0.110 0.000 0.904 329 L HN 0.150 nan 8.230 nan 0.000 0.437 330 K N 1.541 121.902 120.400 -0.064 0.000 2.379 330 K HA 0.113 4.430 4.320 -0.006 0.000 0.284 330 K C 0.243 176.814 176.600 -0.049 0.000 1.044 330 K CA 0.166 56.418 56.287 -0.057 0.000 0.974 330 K CB 0.772 33.240 32.500 -0.053 0.000 0.962 330 K HN 0.151 nan 8.250 nan 0.000 0.474 331 G N 4.419 113.188 108.800 -0.051 0.000 2.787 331 G HA2 -0.289 3.668 3.960 -0.006 0.000 0.343 331 G HA3 -0.289 3.668 3.960 -0.006 0.000 0.343 331 G C -0.269 174.604 174.900 -0.045 0.000 0.149 331 G CA 1.286 46.356 45.100 -0.051 0.000 1.222 331 G HN 0.933 nan 8.290 nan 0.000 0.477 332 K N 1.758 122.139 120.400 -0.032 0.000 6.750 332 K HA -0.176 4.141 4.320 -0.006 0.000 0.600 332 K C 0.987 177.572 176.600 -0.026 0.000 2.563 332 K CA 1.082 57.353 56.287 -0.026 0.000 2.004 332 K CB -0.456 32.024 32.500 -0.033 0.000 2.501 332 K HN 1.054 nan 8.250 nan 0.000 0.183 333 E N -1.500 118.688 120.200 -0.020 0.000 2.808 333 E HA -0.253 4.094 4.350 -0.006 0.000 0.263 333 E C 0.243 176.829 176.600 -0.024 0.000 1.151 333 E CA 1.848 58.236 56.400 -0.020 0.000 0.750 333 E CB -1.637 28.050 29.700 -0.022 0.000 1.357 333 E HN 0.735 nan 8.360 nan 0.000 0.439 334 G N -0.114 108.670 108.800 -0.026 0.000 2.683 334 G HA2 0.441 4.398 3.960 -0.006 0.000 0.299 334 G HA3 0.441 4.398 3.960 -0.006 0.000 0.299 334 G C 0.417 175.300 174.900 -0.028 0.000 1.432 334 G CA -0.446 44.635 45.100 -0.031 0.000 0.978 334 G HN -0.066 nan 8.290 nan 0.000 0.513 335 R N 0.927 121.410 120.500 -0.027 0.000 3.298 335 R HA -0.327 4.010 4.340 -0.006 0.000 0.647 335 R C 2.360 178.650 176.300 -0.017 0.000 0.241 335 R CA 1.615 57.702 56.100 -0.023 0.000 1.985 335 R CB -1.434 28.848 30.300 -0.029 0.000 0.762 335 R HN 0.663 nan 8.270 nan 0.000 0.655 336 I N 0.055 120.616 120.570 -0.016 0.000 3.314 336 I HA -0.520 3.647 4.170 -0.006 0.000 0.192 336 I C 2.581 178.698 176.117 0.001 0.000 0.802 336 I CA 2.518 63.814 61.300 -0.007 0.000 1.099 336 I CB -0.387 37.606 38.000 -0.012 0.000 0.859 336 I HN 0.416 nan 8.210 nan 0.000 0.328 337 R N 0.184 120.683 120.500 -0.001 0.000 2.092 337 R HA -0.100 4.237 4.340 -0.006 0.000 0.231 337 R C 1.977 178.278 176.300 0.002 0.000 1.119 337 R CA 1.670 57.773 56.100 0.005 0.000 0.970 337 R CB -0.376 29.923 30.300 -0.001 0.000 0.864 337 R HN 0.612 nan 8.270 nan 0.000 0.440 338 G N -1.254 107.542 108.800 -0.006 0.000 3.159 338 G HA2 -0.023 3.934 3.960 -0.006 0.000 0.232 338 G HA3 -0.023 3.934 3.960 -0.006 0.000 0.232 338 G C 0.731 175.627 174.900 -0.005 0.000 1.116 338 G CA -0.184 44.912 45.100 -0.006 0.000 0.767 338 G HN 0.206 nan 8.290 nan 0.000 0.547 339 N N -0.617 118.079 118.700 -0.006 0.000 2.129 339 N HA 0.225 4.961 4.740 -0.006 0.000 0.222 339 N C 1.418 176.926 175.510 -0.003 0.000 1.303 339 N CA -0.016 53.030 53.050 -0.006 0.000 0.897 339 N CB 0.920 39.400 38.487 -0.010 0.000 1.093 339 N HN 0.204 nan 8.380 nan 0.000 0.501 340 L N -0.237 120.985 121.223 -0.001 0.000 2.547 340 L HA 0.353 4.690 4.340 -0.006 0.000 0.218 340 L C 1.587 178.459 176.870 0.003 0.000 1.048 340 L CA 0.402 55.242 54.840 0.001 0.000 0.859 340 L CB 0.252 42.312 42.059 0.002 0.000 1.128 340 L HN -0.036 nan 8.230 nan 0.000 0.483 341 M N -0.955 118.649 119.600 0.005 0.000 2.371 341 M HA 0.324 4.801 4.480 -0.006 0.000 0.246 341 M C 0.331 176.634 176.300 0.005 0.000 1.103 341 M CA 0.221 55.524 55.300 0.006 0.000 1.010 341 M CB 0.785 33.393 32.600 0.015 0.000 1.457 341 M HN 0.180 nan 8.290 nan 0.000 0.486 342 G N 1.728 110.531 108.800 0.005 0.000 2.770 342 G HA2 0.435 4.392 3.960 -0.006 0.000 0.298 342 G HA3 0.435 4.392 3.960 -0.006 0.000 0.298 342 G C -0.947 173.958 174.900 0.008 0.000 1.534 342 G CA -0.590 44.514 45.100 0.007 0.000 1.046 342 G HN 0.103 nan 8.290 nan 0.000 0.548 343 K N 0.898 121.304 120.400 0.010 0.000 2.168 343 K HA 0.633 4.949 4.320 -0.006 0.000 0.239 343 K C 0.255 176.866 176.600 0.019 0.000 0.999 343 K CA -0.892 55.400 56.287 0.009 0.000 0.900 343 K CB 2.094 34.597 32.500 0.006 0.000 1.111 343 K HN 0.326 nan 8.250 nan 0.000 0.452 344 R N 0.712 121.219 120.500 0.013 0.000 2.500 344 R HA 0.442 4.778 4.340 -0.006 0.000 0.275 344 R C -0.786 175.525 176.300 0.018 0.000 1.051 344 R CA -0.560 55.551 56.100 0.019 0.000 1.088 344 R CB 0.973 31.276 30.300 0.003 0.000 1.063 344 R HN 0.532 nan 8.270 nan 0.000 0.511 345 V N -1.095 118.838 119.914 0.031 0.000 3.188 345 V HA 0.441 4.558 4.120 -0.006 0.000 0.305 345 V C -0.931 175.157 176.094 -0.010 0.000 1.232 345 V CA -1.262 61.053 62.300 0.026 0.000 1.043 345 V CB 2.015 33.893 31.823 0.092 0.000 1.068 345 V HN 0.626 nan 8.190 nan 0.000 0.439 346 D N 0.611 120.964 120.400 -0.078 0.000 2.384 346 D HA 0.443 5.080 4.640 -0.006 0.000 0.244 346 D C 0.320 176.577 176.300 -0.072 0.000 1.251 346 D CA 0.185 54.038 54.000 -0.245 0.000 0.961 346 D CB 0.034 40.460 40.800 -0.624 0.000 1.116 346 D HN 0.756 nan 8.370 nan 0.000 0.484 347 F N -0.911 119.050 119.950 0.019 0.000 2.866 347 F HA -0.270 4.253 4.527 -0.007 0.000 0.254 347 F C 0.412 176.228 175.800 0.026 0.000 1.009 347 F CA -0.064 57.956 58.000 0.034 0.000 0.907 347 F CB -1.787 37.242 39.000 0.048 0.000 0.859 347 F HN 0.089 nan 8.300 nan 0.000 0.842 348 S N -1.017 114.747 115.700 0.107 0.000 2.740 348 S HA 1.036 5.503 4.470 -0.006 0.000 0.300 348 S C -0.234 174.369 174.600 0.004 0.000 1.147 348 S CA -0.480 57.689 58.200 -0.052 0.000 0.871 348 S CB 2.626 65.709 63.200 -0.195 0.000 1.173 348 S HN 1.138 nan 8.310 nan 0.000 0.510 349 A N 0.141 122.955 122.820 -0.011 0.000 2.511 349 A HA 0.924 5.241 4.320 -0.006 0.000 0.293 349 A C -1.259 176.436 177.584 0.184 0.000 1.098 349 A CA -0.888 51.215 52.037 0.110 0.000 0.643 349 A CB 1.286 20.410 19.000 0.207 0.000 1.302 349 A HN 1.290 nan 8.150 nan 0.000 0.446 350 R N -0.443 120.178 120.500 0.202 0.000 2.725 350 R HA 0.621 4.957 4.340 -0.006 0.000 0.254 350 R C -1.464 174.887 176.300 0.084 0.000 1.076 350 R CA 0.280 56.535 56.100 0.258 0.000 0.940 350 R CB 1.214 31.587 30.300 0.123 0.000 1.260 350 R HN 1.058 nan 8.270 nan 0.000 0.466 351 T N 0.840 115.464 114.554 0.117 0.000 2.626 351 T HA 0.383 4.730 4.350 -0.006 0.000 0.299 351 T C -0.715 174.038 174.700 0.087 0.000 1.181 351 T CA -0.506 61.569 62.100 -0.042 0.000 1.053 351 T CB 0.957 69.625 68.868 -0.333 0.000 1.566 351 T HN 0.283 nan 8.240 nan 0.000 0.486 352 V N 1.267 121.202 119.914 0.035 0.000 3.403 352 V HA 0.732 4.848 4.120 -0.006 0.000 0.305 352 V C -0.076 176.107 176.094 0.148 0.000 1.060 352 V CA -0.363 61.988 62.300 0.084 0.000 1.053 352 V CB 1.070 32.917 31.823 0.040 0.000 1.198 352 V HN 0.825 nan 8.190 nan 0.000 0.447 353 I N -0.789 119.890 120.570 0.181 0.000 3.102 353 I HA 0.911 5.078 4.170 -0.006 0.000 0.310 353 I C -0.683 175.504 176.117 0.117 0.000 1.246 353 I CA -0.352 61.081 61.300 0.222 0.000 0.979 353 I CB 2.529 40.750 38.000 0.369 0.000 1.267 353 I HN 0.657 nan 8.210 nan 0.000 0.451 354 S N 1.450 117.049 115.700 -0.169 0.000 2.588 354 S HA 0.810 5.277 4.470 -0.006 0.000 0.269 354 S C -0.499 173.403 174.600 -1.162 0.000 1.157 354 S CA -0.475 57.206 58.200 -0.866 0.000 0.824 354 S CB 0.918 63.836 63.200 -0.470 0.000 1.126 354 S HN 1.228 nan 8.310 nan 0.000 0.464 355 G N -0.277 107.451 108.800 -1.787 0.000 2.400 355 G HA2 0.573 4.529 3.960 -0.006 0.000 0.301 355 G HA3 0.573 4.529 3.960 -0.006 0.000 0.301 355 G C -1.416 173.265 174.900 -0.365 0.000 1.154 355 G CA -0.292 44.336 45.100 -0.787 0.000 0.852 355 G HN 0.802 nan 8.290 nan 0.000 0.511 356 D N 1.468 121.756 120.400 -0.188 0.000 2.478 356 D HA 0.250 4.887 4.640 -0.006 0.000 0.240 356 D C -1.492 174.765 176.300 -0.071 0.000 1.364 356 D CA -1.676 52.243 54.000 -0.135 0.000 0.987 356 D CB 2.258 42.970 40.800 -0.147 0.000 1.328 356 D HN 0.149 nan 8.370 nan 0.000 0.584 357 P HA -0.070 nan 4.420 nan 0.000 0.226 357 P C -0.213 177.074 177.300 -0.022 0.000 1.146 357 P CA 0.493 63.573 63.100 -0.033 0.000 0.773 357 P CB 0.307 31.978 31.700 -0.048 0.000 0.772 358 N N 0.126 118.821 118.700 -0.008 0.000 2.546 358 N HA 0.242 4.979 4.740 -0.006 0.000 0.286 358 N C -0.169 175.358 175.510 0.029 0.000 1.259 358 N CA -0.047 53.027 53.050 0.040 0.000 0.939 358 N CB 0.783 39.323 38.487 0.089 0.000 1.243 358 N HN 0.269 nan 8.380 nan 0.000 0.511 359 L N 0.446 121.675 121.223 0.010 0.000 2.381 359 L HA 0.342 4.679 4.340 -0.006 0.000 0.268 359 L C -0.351 176.531 176.870 0.020 0.000 0.997 359 L CA -0.732 54.108 54.840 0.000 0.000 0.818 359 L CB 2.325 44.363 42.059 -0.036 0.000 1.310 359 L HN -0.103 nan 8.230 nan 0.000 0.416 360 E N 2.194 122.412 120.200 0.031 0.000 2.343 360 E HA 0.052 4.398 4.350 -0.006 0.000 0.269 360 E C 0.671 177.302 176.600 0.051 0.000 1.047 360 E CA -0.363 56.070 56.400 0.055 0.000 0.874 360 E CB 1.312 31.051 29.700 0.066 0.000 1.033 360 E HN 0.480 nan 8.360 nan 0.000 0.409 361 L N 2.759 124.024 121.223 0.070 0.000 2.040 361 L HA -0.268 4.068 4.340 -0.006 0.000 0.228 361 L C 1.179 178.105 176.870 0.093 0.000 1.092 361 L CA 2.479 57.346 54.840 0.046 0.000 0.805 361 L CB -0.536 41.551 42.059 0.048 0.000 0.905 361 L HN 0.593 nan 8.230 nan 0.000 0.443 362 D N -1.140 119.330 120.400 0.117 0.000 2.413 362 D HA 0.002 4.639 4.640 -0.006 0.000 0.237 362 D C 0.482 176.922 176.300 0.234 0.000 1.171 362 D CA -0.021 54.097 54.000 0.196 0.000 0.839 362 D CB -0.212 40.648 40.800 0.101 0.000 0.950 362 D HN 0.573 nan 8.370 nan 0.000 0.499 363 Q N -0.470 119.393 119.800 0.105 0.000 2.427 363 Q HA 0.626 4.963 4.340 -0.006 0.000 0.232 363 Q C -0.928 174.933 176.000 -0.231 0.000 1.018 363 Q CA -1.280 54.519 55.803 -0.006 0.000 0.965 363 Q CB 2.996 31.721 28.738 -0.021 0.000 1.232 363 Q HN 0.079 nan 8.270 nan 0.000 0.510 364 V N -0.942 118.800 119.914 -0.287 0.000 2.739 364 V HA 0.509 4.625 4.120 -0.006 0.000 0.293 364 V C -1.065 174.863 176.094 -0.276 0.000 1.199 364 V CA -0.417 61.574 62.300 -0.514 0.000 0.931 364 V CB 1.396 32.691 31.823 -0.880 0.000 1.052 364 V HN 0.786 nan 8.190 nan 0.000 0.441 365 G N 5.629 114.310 108.800 -0.199 0.000 2.396 365 G HA2 0.483 4.439 3.960 -0.006 0.000 0.292 365 G HA3 0.483 4.439 3.960 -0.006 0.000 0.292 365 G C -0.306 174.592 174.900 -0.004 0.000 1.106 365 G CA -0.139 44.906 45.100 -0.093 0.000 1.055 365 G HN 1.069 nan 8.290 nan 0.000 0.424 366 V N 6.628 126.552 119.914 0.017 0.000 2.432 366 V HA 0.241 4.358 4.120 -0.006 0.000 0.271 366 V C -1.554 174.527 176.094 -0.021 0.000 1.046 366 V CA -1.469 60.896 62.300 0.108 0.000 0.945 366 V CB 1.639 33.533 31.823 0.119 0.000 0.992 366 V HN 0.623 nan 8.190 nan 0.000 0.471 367 P HA 0.159 nan 4.420 nan 0.000 0.275 367 P C 0.476 177.711 177.300 -0.108 0.000 1.227 367 P CA -0.402 62.632 63.100 -0.110 0.000 0.781 367 P CB 1.331 32.942 31.700 -0.148 0.000 0.906 368 K N 3.095 123.420 120.400 -0.126 0.000 2.013 368 K HA -0.283 4.033 4.320 -0.006 0.000 0.225 368 K C 2.120 178.664 176.600 -0.093 0.000 1.056 368 K CA 3.220 59.411 56.287 -0.159 0.000 0.971 368 K CB -0.962 31.447 32.500 -0.151 0.000 0.731 368 K HN 0.527 nan 8.250 nan 0.000 0.450 369 S N 0.201 115.856 115.700 -0.076 0.000 2.400 369 S HA -0.243 4.223 4.470 -0.006 0.000 0.234 369 S C 2.011 176.601 174.600 -0.017 0.000 1.049 369 S CA 1.911 60.084 58.200 -0.045 0.000 1.039 369 S CB -0.822 62.346 63.200 -0.053 0.000 0.856 369 S HN 0.423 nan 8.310 nan 0.000 0.465 370 I N 2.066 122.618 120.570 -0.030 0.000 2.286 370 I HA -0.028 4.139 4.170 -0.006 0.000 0.245 370 I C 3.052 179.211 176.117 0.070 0.000 1.104 370 I CA 1.004 62.312 61.300 0.014 0.000 1.397 370 I CB -0.624 37.367 38.000 -0.014 0.000 1.072 370 I HN 0.429 nan 8.210 nan 0.000 0.417 371 A N 0.506 123.355 122.820 0.049 0.000 1.972 371 A HA -0.201 4.116 4.320 -0.006 0.000 0.219 371 A C 2.240 179.898 177.584 0.122 0.000 1.169 371 A CA 1.430 53.531 52.037 0.107 0.000 0.635 371 A CB -0.446 18.582 19.000 0.046 0.000 0.810 371 A HN 0.298 nan 8.150 nan 0.000 0.446 372 K N -0.813 119.602 120.400 0.026 0.000 2.362 372 K HA -0.067 4.250 4.320 -0.006 0.000 0.200 372 K C 1.477 178.215 176.600 0.230 0.000 1.046 372 K CA 1.507 57.755 56.287 -0.066 0.000 0.952 372 K CB -0.079 32.406 32.500 -0.025 0.000 0.753 372 K HN 0.595 nan 8.250 nan 0.000 0.466 373 T N 0.813 115.481 114.554 0.191 0.000 3.082 373 T HA 0.119 4.466 4.350 -0.006 0.000 0.235 373 T C 0.721 175.559 174.700 0.231 0.000 0.991 373 T CA -0.140 62.080 62.100 0.200 0.000 1.220 373 T CB -0.051 68.898 68.868 0.134 0.000 0.909 373 T HN -0.045 nan 8.240 nan 0.000 0.424 374 L N 1.862 123.216 121.223 0.219 0.000 2.506 374 L HA 0.316 4.652 4.340 -0.006 0.000 0.281 374 L C 0.567 177.562 176.870 0.209 0.000 1.228 374 L CA 0.181 55.167 54.840 0.244 0.000 0.850 374 L CB 0.124 42.313 42.059 0.216 0.000 1.110 374 L HN 0.188 nan 8.230 nan 0.000 0.496 375 T N 0.956 115.588 114.554 0.130 0.000 2.901 375 T HA 0.507 4.854 4.350 -0.006 0.000 0.293 375 T C -1.696 172.907 174.700 -0.161 0.000 1.084 375 T CA -0.448 61.672 62.100 0.033 0.000 1.008 375 T CB 1.011 69.912 68.868 0.056 0.000 1.170 375 T HN 0.416 nan 8.240 nan 0.000 0.509 376 Y N 4.705 124.916 120.300 -0.149 0.000 2.349 376 Y HA 0.481 5.027 4.550 -0.006 0.000 0.324 376 Y C -2.492 173.344 175.900 -0.107 0.000 1.005 376 Y CA -2.423 55.571 58.100 -0.177 0.000 1.240 376 Y CB 1.828 40.231 38.460 -0.095 0.000 1.117 376 Y HN 0.374 nan 8.280 nan 0.000 0.463 377 P HA -0.050 nan 4.420 nan 0.000 0.259 377 P C -0.704 176.430 177.300 -0.276 0.000 1.211 377 P CA 0.639 63.487 63.100 -0.420 0.000 0.810 377 P CB 0.789 32.227 31.700 -0.437 0.000 0.815 378 E N 2.936 123.190 120.200 0.091 0.000 2.202 378 E HA 0.405 4.751 4.350 -0.006 0.000 0.272 378 E C -1.056 175.641 176.600 0.161 0.000 0.951 378 E CA -1.049 55.511 56.400 0.267 0.000 0.813 378 E CB 1.486 31.346 29.700 0.267 0.000 1.151 378 E HN 0.080 nan 8.360 nan 0.000 0.398 379 V N 4.181 124.198 119.914 0.172 0.000 2.472 379 V HA 0.164 4.280 4.120 -0.006 0.000 0.290 379 V C -0.356 175.831 176.094 0.154 0.000 1.037 379 V CA -0.834 61.556 62.300 0.150 0.000 0.908 379 V CB 1.659 33.563 31.823 0.135 0.000 0.985 379 V HN 0.632 nan 8.190 nan 0.000 0.454 380 V N 3.871 123.882 119.914 0.162 0.000 2.625 380 V HA 0.238 4.354 4.120 -0.006 0.000 0.305 380 V C 0.391 176.592 176.094 0.180 0.000 1.055 380 V CA 0.586 62.973 62.300 0.146 0.000 1.209 380 V CB -0.300 31.605 31.823 0.138 0.000 0.877 380 V HN 0.985 nan 8.190 nan 0.000 0.489 381 T N 6.700 121.360 114.554 0.177 0.000 3.291 381 T HA 0.360 4.707 4.350 -0.006 0.000 0.344 381 T C -1.835 172.967 174.700 0.171 0.000 1.293 381 T CA -0.341 61.871 62.100 0.186 0.000 1.108 381 T CB 2.342 71.254 68.868 0.073 0.000 1.231 381 T HN 0.470 nan 8.240 nan 0.000 0.474 382 P HA -0.313 nan 4.420 nan 0.000 0.224 382 P C 1.153 178.533 177.300 0.133 0.000 1.153 382 P CA 1.936 65.140 63.100 0.173 0.000 0.947 382 P CB -0.122 31.435 31.700 -0.239 0.000 0.790 383 Y N 1.057 121.418 120.300 0.101 0.000 2.030 383 Y HA -0.310 4.237 4.550 -0.006 0.000 0.272 383 Y C 2.784 178.721 175.900 0.061 0.000 1.185 383 Y CA 1.510 59.649 58.100 0.065 0.000 1.120 383 Y CB -1.285 37.205 38.460 0.049 0.000 0.955 383 Y HN 0.213 nan 8.280 nan 0.000 0.495 384 N N 0.080 118.916 118.700 0.227 0.000 2.305 384 N HA -0.082 4.654 4.740 -0.006 0.000 0.179 384 N C 1.386 176.947 175.510 0.086 0.000 1.019 384 N CA 1.083 54.215 53.050 0.138 0.000 0.869 384 N CB -1.070 37.495 38.487 0.131 0.000 1.000 384 N HN 0.360 nan 8.380 nan 0.000 0.431 385 I N 1.587 122.195 120.570 0.064 0.000 2.661 385 I HA -0.491 3.675 4.170 -0.006 0.000 0.221 385 I C 1.633 177.752 176.117 0.004 0.000 0.909 385 I CA 2.200 63.502 61.300 0.003 0.000 1.212 385 I CB -0.755 37.202 38.000 -0.072 0.000 0.929 385 I HN 0.155 nan 8.210 nan 0.000 0.375 386 D N 0.188 120.595 120.400 0.010 0.000 2.230 386 D HA -0.296 4.340 4.640 -0.006 0.000 0.189 386 D C 2.046 178.356 176.300 0.016 0.000 1.006 386 D CA 2.239 56.245 54.000 0.010 0.000 0.853 386 D CB -0.645 40.168 40.800 0.022 0.000 0.959 386 D HN 0.470 nan 8.370 nan 0.000 0.449 387 R N 0.885 121.402 120.500 0.029 0.000 2.088 387 R HA -0.138 4.198 4.340 -0.006 0.000 0.232 387 R C 2.692 179.008 176.300 0.026 0.000 1.136 387 R CA 1.126 57.244 56.100 0.029 0.000 0.926 387 R CB -0.908 29.414 30.300 0.037 0.000 0.837 387 R HN 0.214 nan 8.270 nan 0.000 0.429 388 L N 0.740 121.984 121.223 0.035 0.000 1.997 388 L HA -0.308 4.028 4.340 -0.006 0.000 0.227 388 L C 2.372 179.256 176.870 0.024 0.000 1.087 388 L CA 2.599 57.461 54.840 0.037 0.000 0.797 388 L CB -0.741 41.347 42.059 0.048 0.000 0.902 388 L HN 0.485 nan 8.230 nan 0.000 0.441 389 T N -1.289 113.271 114.554 0.010 0.000 2.635 389 T HA -0.341 4.006 4.350 -0.006 0.000 0.267 389 T C 1.608 176.311 174.700 0.006 0.000 1.040 389 T CA 1.747 63.849 62.100 0.003 0.000 1.156 389 T CB -0.407 68.451 68.868 -0.017 0.000 0.863 389 T HN 0.364 nan 8.240 nan 0.000 0.430 390 Q N 0.392 120.196 119.800 0.006 0.000 2.389 390 Q HA -0.119 4.218 4.340 -0.006 0.000 0.213 390 Q C 1.848 177.854 176.000 0.010 0.000 0.989 390 Q CA 1.151 56.959 55.803 0.008 0.000 0.891 390 Q CB -0.497 28.247 28.738 0.010 0.000 0.923 390 Q HN 0.437 nan 8.270 nan 0.000 0.455 391 L N -1.277 119.952 121.223 0.010 0.000 2.022 391 L HA -0.084 4.253 4.340 -0.006 0.000 0.204 391 L C 2.282 179.150 176.870 -0.003 0.000 1.076 391 L CA 1.142 55.986 54.840 0.006 0.000 0.749 391 L CB -1.432 40.630 42.059 0.004 0.000 0.903 391 L HN 0.173 nan 8.230 nan 0.000 0.439 392 V N 0.298 120.211 119.914 -0.002 0.000 2.277 392 V HA -0.361 3.755 4.120 -0.006 0.000 0.253 392 V C 2.728 178.820 176.094 -0.002 0.000 1.067 392 V CA 2.026 64.324 62.300 -0.003 0.000 1.047 392 V CB -0.864 30.971 31.823 0.020 0.000 0.649 392 V HN 0.438 nan 8.190 nan 0.000 0.447 393 R N -0.336 120.167 120.500 0.005 0.000 2.081 393 R HA -0.167 4.170 4.340 -0.006 0.000 0.235 393 R C 2.401 178.706 176.300 0.008 0.000 1.131 393 R CA 1.616 57.719 56.100 0.006 0.000 0.960 393 R CB -0.389 29.914 30.300 0.006 0.000 0.856 393 R HN 0.535 nan 8.270 nan 0.000 0.436 394 N N -0.360 118.346 118.700 0.011 0.000 2.069 394 N HA -0.100 4.637 4.740 -0.006 0.000 0.191 394 N C 0.802 176.327 175.510 0.026 0.000 1.031 394 N CA 1.661 54.724 53.050 0.022 0.000 0.852 394 N CB -0.101 38.405 38.487 0.031 0.000 1.018 394 N HN 0.406 nan 8.380 nan 0.000 0.423 395 G N -1.005 107.802 108.800 0.011 0.000 2.592 395 G HA2 -0.119 3.837 3.960 -0.006 0.000 0.684 395 G HA3 -0.119 3.837 3.960 -0.006 0.000 0.684 395 G C -2.683 172.230 174.900 0.022 0.000 1.291 395 G CA -0.214 44.888 45.100 0.003 0.000 0.891 395 G HN 0.125 nan 8.290 nan 0.000 0.544 396 P HA 0.259 nan 4.420 nan 0.000 0.241 396 P C 0.047 177.478 177.300 0.218 0.000 1.783 396 P CA -0.041 63.107 63.100 0.081 0.000 1.052 396 P CB -0.444 31.229 31.700 -0.044 0.000 1.594 397 N N -1.939 116.876 118.700 0.192 0.000 1.986 397 N HA 0.057 4.794 4.740 -0.006 0.000 0.227 397 N C 0.054 175.607 175.510 0.072 0.000 1.387 397 N CA -0.170 52.948 53.050 0.115 0.000 0.810 397 N CB 0.421 38.950 38.487 0.069 0.000 1.140 397 N HN 0.092 nan 8.380 nan 0.000 0.504 398 E N 0.326 120.576 120.200 0.084 0.000 2.191 398 E HA 0.118 4.465 4.350 -0.006 0.000 0.278 398 E C 0.158 176.773 176.600 0.025 0.000 0.972 398 E CA -0.393 56.039 56.400 0.052 0.000 0.804 398 E CB 1.451 31.180 29.700 0.049 0.000 1.110 398 E HN 0.178 nan 8.360 nan 0.000 0.394 399 H N 5.259 124.289 119.070 -0.067 0.000 2.685 399 H HA -0.135 4.417 4.556 -0.006 0.000 0.296 399 H C -1.398 173.866 175.328 -0.107 0.000 1.042 399 H CA 2.181 58.131 56.048 -0.164 0.000 1.090 399 H CB -1.150 28.547 29.762 -0.109 0.000 1.458 399 H HN 0.389 nan 8.280 nan 0.000 0.700 400 P HA 0.050 nan 4.420 nan 0.000 0.261 400 P C -0.177 177.083 177.300 -0.067 0.000 1.463 400 P CA 1.060 63.885 63.100 -0.458 0.000 0.834 400 P CB -0.584 31.021 31.700 -0.159 0.000 1.715 401 G N -0.758 108.199 108.800 0.261 0.000 3.247 401 G HA2 0.817 4.774 3.960 -0.006 0.000 0.163 401 G HA3 0.817 4.774 3.960 -0.006 0.000 0.163 401 G C -0.819 173.974 174.900 -0.178 0.000 1.206 401 G CA -0.007 45.200 45.100 0.179 0.000 0.918 401 G HN 0.385 nan 8.290 nan 0.000 0.625 402 A N -1.923 120.583 122.820 -0.524 0.000 2.438 402 A HA 0.689 5.006 4.320 -0.006 0.000 0.301 402 A C -1.402 175.957 177.584 -0.373 0.000 1.101 402 A CA -0.581 51.082 52.037 -0.623 0.000 0.621 402 A CB 0.761 19.627 19.000 -0.223 0.000 1.350 402 A HN 0.698 nan 8.150 nan 0.000 0.496 403 K N -0.656 119.643 120.400 -0.167 0.000 2.409 403 K HA 0.686 5.003 4.320 -0.006 0.000 0.252 403 K C -1.239 175.442 176.600 0.134 0.000 1.036 403 K CA -0.843 55.408 56.287 -0.061 0.000 0.871 403 K CB 0.611 33.149 32.500 0.064 0.000 1.374 403 K HN 0.812 nan 8.250 nan 0.000 0.459 404 Y N -0.932 119.310 120.300 -0.097 0.000 2.880 404 Y HA -0.236 4.314 4.550 -0.001 0.000 0.395 404 Y C -0.112 175.744 175.900 -0.072 0.000 1.462 404 Y CA -0.195 57.855 58.100 -0.083 0.000 1.412 404 Y CB -0.977 37.439 38.460 -0.074 0.000 1.540 404 Y HN 0.254 nan 8.280 nan 0.000 0.427 405 V N 4.596 124.558 119.914 0.080 0.000 2.709 405 V HA 0.661 4.778 4.120 -0.006 0.000 0.308 405 V C -0.426 175.604 176.094 -0.105 0.000 1.062 405 V CA -0.947 61.361 62.300 0.015 0.000 0.901 405 V CB 1.834 33.677 31.823 0.033 0.000 1.003 405 V HN 0.528 nan 8.190 nan 0.000 0.425 406 I N 4.027 124.500 120.570 -0.163 0.000 2.509 406 I HA 0.706 4.872 4.170 -0.006 0.000 0.293 406 I C 0.082 175.803 176.117 -0.660 0.000 1.020 406 I CA -0.799 60.307 61.300 -0.322 0.000 1.088 406 I CB 1.630 39.518 38.000 -0.186 0.000 1.267 406 I HN 0.507 nan 8.210 nan 0.000 0.430 407 R N 2.632 122.558 120.500 -0.957 0.000 2.810 407 R HA 0.500 4.836 4.340 -0.006 0.000 0.245 407 R C 0.251 176.189 176.300 -0.603 0.000 1.168 407 R CA -0.856 54.283 56.100 -1.602 0.000 1.096 407 R CB 0.701 30.090 30.300 -1.517 0.000 1.259 407 R HN 0.543 nan 8.270 nan 0.000 0.518 408 D N 1.077 121.364 120.400 -0.189 0.000 2.205 408 D HA -0.230 4.406 4.640 -0.006 0.000 0.190 408 D C 1.543 177.822 176.300 -0.035 0.000 1.002 408 D CA 2.459 56.501 54.000 0.071 0.000 0.848 408 D CB -0.513 40.409 40.800 0.204 0.000 0.975 408 D HN 0.582 nan 8.370 nan 0.000 0.449 409 S N -0.011 115.658 115.700 -0.052 0.000 2.559 409 S HA 0.035 4.501 4.470 -0.006 0.000 0.250 409 S C 1.787 176.333 174.600 -0.090 0.000 0.977 409 S CA 1.055 59.215 58.200 -0.066 0.000 0.958 409 S CB -0.490 62.676 63.200 -0.058 0.000 0.751 409 S HN 0.587 nan 8.310 nan 0.000 0.534 410 G N 1.009 109.739 108.800 -0.117 0.000 2.184 410 G HA2 -0.251 3.705 3.960 -0.006 0.000 0.264 410 G HA3 -0.251 3.705 3.960 -0.006 0.000 0.264 410 G C -0.310 174.522 174.900 -0.112 0.000 0.975 410 G CA 0.239 45.276 45.100 -0.104 0.000 0.642 410 G HN 0.602 nan 8.290 nan 0.000 0.536 411 D N -0.284 120.034 120.400 -0.136 0.000 2.362 411 D HA 0.364 5.001 4.640 -0.006 0.000 0.242 411 D C 0.742 176.968 176.300 -0.123 0.000 1.132 411 D CA -0.070 53.863 54.000 -0.112 0.000 0.907 411 D CB 0.773 41.510 40.800 -0.106 0.000 1.195 411 D HN 0.233 nan 8.370 nan 0.000 0.429 412 R N 1.485 121.947 120.500 -0.063 0.000 2.369 412 R HA 0.217 4.554 4.340 -0.006 0.000 0.310 412 R C -0.536 175.760 176.300 -0.006 0.000 1.141 412 R CA -0.703 55.388 56.100 -0.016 0.000 1.116 412 R CB -0.140 30.197 30.300 0.061 0.000 1.135 412 R HN 0.223 nan 8.270 nan 0.000 0.529 413 I N 2.837 123.374 120.570 -0.056 0.000 2.587 413 I HA -0.072 4.095 4.170 -0.006 0.000 0.284 413 I C 0.291 176.373 176.117 -0.058 0.000 1.134 413 I CA 0.187 61.453 61.300 -0.057 0.000 1.410 413 I CB 0.598 38.550 38.000 -0.079 0.000 1.392 413 I HN 0.432 nan 8.210 nan 0.000 0.545 414 D N 7.338 127.668 120.400 -0.117 0.000 2.479 414 D HA 0.105 4.742 4.640 -0.006 0.000 0.218 414 D C 1.084 177.205 176.300 -0.299 0.000 1.131 414 D CA -0.270 53.541 54.000 -0.314 0.000 0.916 414 D CB 0.475 41.066 40.800 -0.349 0.000 1.022 414 D HN 0.445 nan 8.370 nan 0.000 0.515 415 L N 3.038 124.089 121.223 -0.286 0.000 2.671 415 L HA -0.179 4.157 4.340 -0.006 0.000 0.236 415 L C 2.128 178.886 176.870 -0.186 0.000 1.178 415 L CA 0.875 55.600 54.840 -0.191 0.000 0.829 415 L CB -0.491 41.472 42.059 -0.160 0.000 0.956 415 L HN 0.415 nan 8.230 nan 0.000 0.455 416 R N -1.890 118.439 120.500 -0.284 0.000 2.369 416 R HA 0.121 4.457 4.340 -0.006 0.000 0.210 416 R C 0.593 176.957 176.300 0.106 0.000 0.881 416 R CA -0.220 55.768 56.100 -0.186 0.000 1.031 416 R CB 0.224 30.323 30.300 -0.334 0.000 1.184 416 R HN 0.190 nan 8.270 nan 0.000 0.581 417 Y N 0.572 120.811 120.300 -0.100 0.000 2.732 417 Y HA 0.405 4.952 4.550 -0.006 0.000 0.327 417 Y C -0.040 175.821 175.900 -0.064 0.000 1.162 417 Y CA -1.353 56.706 58.100 -0.070 0.000 1.238 417 Y CB 1.689 40.108 38.460 -0.069 0.000 1.443 417 Y HN 0.112 nan 8.280 nan 0.000 0.584 418 S N 0.586 116.364 115.700 0.130 0.000 2.818 418 S HA -0.141 4.326 4.470 -0.006 0.000 0.848 418 S C 0.348 174.968 174.600 0.034 0.000 0.793 418 S CA 0.144 58.376 58.200 0.053 0.000 1.537 418 S CB -0.422 62.791 63.200 0.021 0.000 1.099 418 S HN 0.846 nan 8.310 nan 0.000 0.425 419 K N 4.308 124.722 120.400 0.023 0.000 2.160 419 K HA -0.098 4.218 4.320 -0.006 0.000 0.206 419 K C 1.157 177.766 176.600 0.015 0.000 1.047 419 K CA 1.552 57.848 56.287 0.015 0.000 0.930 419 K CB -0.199 32.307 32.500 0.010 0.000 0.720 419 K HN 0.641 nan 8.250 nan 0.000 0.450 420 R N 0.654 121.165 120.500 0.017 0.000 2.978 420 R HA 0.223 4.559 4.340 -0.006 0.000 0.298 420 R C 0.639 176.950 176.300 0.019 0.000 1.296 420 R CA 0.179 56.291 56.100 0.020 0.000 1.181 420 R CB 0.625 30.940 30.300 0.026 0.000 1.348 420 R HN 0.281 nan 8.270 nan 0.000 0.585 421 A N 0.188 123.016 122.820 0.013 0.000 2.307 421 A HA 0.164 4.481 4.320 -0.006 0.000 0.218 421 A C 1.526 179.114 177.584 0.008 0.000 1.228 421 A CA 0.379 52.420 52.037 0.006 0.000 0.857 421 A CB 0.292 19.291 19.000 -0.002 0.000 0.897 421 A HN 0.408 nan 8.150 nan 0.000 0.495 422 G N -1.518 107.288 108.800 0.011 0.000 3.377 422 G HA2 0.314 4.270 3.960 -0.006 0.000 0.257 422 G HA3 0.314 4.270 3.960 -0.006 0.000 0.257 422 G C 0.172 175.079 174.900 0.011 0.000 1.038 422 G CA 0.316 45.422 45.100 0.010 0.000 0.809 422 G HN 0.292 nan 8.290 nan 0.000 0.526 423 D N 0.348 120.758 120.400 0.017 0.000 2.995 423 D HA 0.421 5.058 4.640 -0.006 0.000 0.208 423 D C 0.564 176.882 176.300 0.030 0.000 1.222 423 D CA -0.351 53.660 54.000 0.019 0.000 1.201 423 D CB 0.481 41.294 40.800 0.022 0.000 1.099 423 D HN 0.082 nan 8.370 nan 0.000 0.449 424 I N 0.568 121.166 120.570 0.047 0.000 8.192 424 I HA -0.209 3.958 4.170 -0.006 0.000 0.126 424 I C -0.621 175.523 176.117 0.045 0.000 1.847 424 I CA 0.053 61.404 61.300 0.085 0.000 2.049 424 I CB -0.787 37.279 38.000 0.110 0.000 3.776 424 I HN 0.210 nan 8.210 nan 0.000 0.173 425 Q N 6.389 126.193 119.800 0.006 0.000 2.303 425 Q HA 0.550 4.886 4.340 -0.006 0.000 0.257 425 Q C -0.209 175.698 176.000 -0.155 0.000 0.941 425 Q CA -0.813 54.945 55.803 -0.075 0.000 0.931 425 Q CB 1.895 30.574 28.738 -0.097 0.000 1.215 425 Q HN 0.530 nan 8.270 nan 0.000 0.437 426 L N 2.769 123.889 121.223 -0.171 0.000 2.462 426 L HA 0.014 4.350 4.340 -0.006 0.000 0.272 426 L C 0.500 177.015 176.870 -0.592 0.000 1.166 426 L CA 0.054 54.739 54.840 -0.259 0.000 0.880 426 L CB 0.204 42.189 42.059 -0.123 0.000 1.142 426 L HN 0.351 nan 8.230 nan 0.000 0.473 427 Q N 3.931 123.067 119.800 -1.108 0.000 2.466 427 Q HA 0.246 4.582 4.340 -0.006 0.000 0.242 427 Q C -1.121 174.403 176.000 -0.794 0.000 1.046 427 Q CA -0.575 54.514 55.803 -1.191 0.000 0.841 427 Q CB 0.131 27.718 28.738 -1.919 0.000 1.193 427 Q HN 0.261 nan 8.270 nan 0.000 0.508 428 Y N 1.144 121.227 120.300 -0.362 0.000 3.202 428 Y HA -0.106 4.441 4.550 -0.004 0.000 0.360 428 Y C 1.734 177.566 175.900 -0.113 0.000 1.233 428 Y CA 1.679 59.672 58.100 -0.178 0.000 1.577 428 Y CB 0.275 38.651 38.460 -0.140 0.000 1.129 428 Y HN 0.848 nan 8.280 nan 0.000 0.617 429 G N 0.690 109.611 108.800 0.202 0.000 2.165 429 G HA2 -0.225 3.732 3.960 -0.006 0.000 0.226 429 G HA3 -0.225 3.732 3.960 -0.006 0.000 0.226 429 G C -0.739 174.414 174.900 0.421 0.000 1.035 429 G CA -0.372 44.865 45.100 0.228 0.000 0.744 429 G HN 0.562 nan 8.290 nan 0.000 0.501 430 W N -0.252 121.079 121.300 0.052 0.000 3.021 430 W HA 0.792 5.447 4.660 -0.007 0.000 0.337 430 W C 0.340 176.875 176.519 0.028 0.000 1.171 430 W CA -1.231 56.132 57.345 0.030 0.000 1.060 430 W CB 1.131 30.601 29.460 0.017 0.000 1.472 430 W HN 0.108 nan 8.180 nan 0.000 0.594 431 K N 0.220 120.732 120.400 0.187 0.000 2.400 431 K HA 0.769 5.086 4.320 -0.006 0.000 0.246 431 K C -1.404 175.249 176.600 0.088 0.000 0.995 431 K CA -1.091 55.258 56.287 0.104 0.000 0.840 431 K CB 2.412 34.924 32.500 0.020 0.000 1.293 431 K HN 0.055 nan 8.250 nan 0.000 0.445 432 V N 1.616 121.570 119.914 0.066 0.000 2.666 432 V HA 0.066 4.183 4.120 -0.006 0.000 0.261 432 V C -0.599 175.515 176.094 0.033 0.000 0.892 432 V CA -0.967 61.369 62.300 0.061 0.000 0.937 432 V CB 0.546 32.418 31.823 0.082 0.000 1.063 432 V HN 0.694 nan 8.190 nan 0.000 0.494 433 E N 3.442 123.641 120.200 -0.000 0.000 2.829 433 E HA 0.012 4.358 4.350 -0.006 0.000 0.264 433 E C 0.216 176.820 176.600 0.005 0.000 0.922 433 E CA 0.495 56.876 56.400 -0.032 0.000 0.960 433 E CB 0.651 30.335 29.700 -0.027 0.000 0.918 433 E HN 0.864 nan 8.360 nan 0.000 0.497 434 R N 0.894 121.412 120.500 0.030 0.000 2.799 434 R HA 0.396 4.732 4.340 -0.006 0.000 0.270 434 R C -0.456 175.910 176.300 0.109 0.000 1.010 434 R CA -0.957 55.160 56.100 0.029 0.000 0.916 434 R CB 0.622 30.955 30.300 0.056 0.000 1.228 434 R HN 0.300 nan 8.270 nan 0.000 0.469 435 H N 0.937 120.041 119.070 0.057 0.000 3.115 435 H HA 0.049 4.601 4.556 -0.008 0.000 0.324 435 H C 0.153 175.533 175.328 0.087 0.000 1.007 435 H CA 0.248 56.328 56.048 0.053 0.000 1.385 435 H CB 0.380 30.097 29.762 -0.076 0.000 1.351 435 H HN 0.400 nan 8.280 nan 0.000 0.592 436 I N 5.437 126.175 120.570 0.280 0.000 2.471 436 I HA 0.009 4.176 4.170 -0.006 0.000 0.286 436 I C 0.824 177.080 176.117 0.232 0.000 1.079 436 I CA 0.194 61.618 61.300 0.208 0.000 1.398 436 I CB 0.212 38.323 38.000 0.185 0.000 1.403 436 I HN 0.350 nan 8.210 nan 0.000 0.530 437 M N 3.967 123.666 119.600 0.164 0.000 2.811 437 M HA 0.469 4.946 4.480 -0.006 0.000 0.303 437 M C -0.539 175.829 176.300 0.113 0.000 1.227 437 M CA -1.077 54.336 55.300 0.189 0.000 0.874 437 M CB 0.700 33.385 32.600 0.142 0.000 1.681 437 M HN 0.252 nan 8.290 nan 0.000 0.500 438 D N 1.490 121.957 120.400 0.111 0.000 2.548 438 D HA 0.009 4.646 4.640 -0.006 0.000 0.231 438 D C 0.028 176.351 176.300 0.038 0.000 1.142 438 D CA 1.430 55.463 54.000 0.056 0.000 0.866 438 D CB 0.054 40.885 40.800 0.052 0.000 1.190 438 D HN 0.740 nan 8.370 nan 0.000 0.469 439 N N 0.541 119.256 118.700 0.024 0.000 2.753 439 N HA -0.175 4.561 4.740 -0.006 0.000 0.251 439 N C -1.071 174.441 175.510 0.004 0.000 1.097 439 N CA 0.815 53.874 53.050 0.015 0.000 0.786 439 N CB -0.668 37.827 38.487 0.013 0.000 1.137 439 N HN 0.428 nan 8.380 nan 0.000 0.566 440 D N -0.130 120.275 120.400 0.007 0.000 2.354 440 D HA 0.273 4.909 4.640 -0.006 0.000 0.247 440 D C -2.138 174.164 176.300 0.003 0.000 1.138 440 D CA -1.053 52.937 54.000 -0.016 0.000 0.958 440 D CB 0.550 41.345 40.800 -0.009 0.000 1.144 440 D HN 0.082 nan 8.370 nan 0.000 0.458 441 P HA 0.177 nan 4.420 nan 0.000 0.293 441 P C -0.913 176.416 177.300 0.050 0.000 1.313 441 P CA -0.457 62.652 63.100 0.016 0.000 0.787 441 P CB 1.066 32.762 31.700 -0.006 0.000 0.910 442 V N 1.489 121.452 119.914 0.081 0.000 3.087 442 V HA 0.445 4.562 4.120 -0.006 0.000 0.306 442 V C -0.659 175.531 176.094 0.160 0.000 1.187 442 V CA -1.233 61.139 62.300 0.119 0.000 0.999 442 V CB 2.306 34.203 31.823 0.124 0.000 1.049 442 V HN 0.323 nan 8.190 nan 0.000 0.431 443 L N 3.450 124.780 121.223 0.178 0.000 2.295 443 L HA 0.480 4.816 4.340 -0.006 0.000 0.288 443 L C -1.099 175.943 176.870 0.285 0.000 1.079 443 L CA -0.297 54.657 54.840 0.191 0.000 0.830 443 L CB 0.607 42.745 42.059 0.131 0.000 1.200 443 L HN 0.796 nan 8.230 nan 0.000 0.438 444 F N 6.531 126.557 119.950 0.127 0.000 2.325 444 F HA 0.342 4.865 4.527 -0.006 0.000 0.369 444 F C 0.107 175.904 175.800 -0.006 0.000 1.095 444 F CA -0.823 57.180 58.000 0.006 0.000 1.082 444 F CB 0.459 39.472 39.000 0.022 0.000 1.289 444 F HN 0.493 nan 8.300 nan 0.000 0.462 445 N N 5.166 123.643 118.700 -0.372 0.000 2.525 445 N HA 0.551 5.288 4.740 -0.006 0.000 0.288 445 N C -1.492 173.710 175.510 -0.514 0.000 1.242 445 N CA -0.749 52.126 53.050 -0.291 0.000 0.905 445 N CB 2.225 40.695 38.487 -0.029 0.000 1.258 445 N HN 0.711 nan 8.380 nan 0.000 0.551 446 R N 0.746 121.116 120.500 -0.217 0.000 2.604 446 R HA 0.252 4.589 4.340 -0.006 0.000 0.281 446 R C -1.392 174.892 176.300 -0.026 0.000 1.020 446 R CA -0.462 55.541 56.100 -0.163 0.000 0.899 446 R CB 1.700 31.930 30.300 -0.116 0.000 1.205 446 R HN 0.636 nan 8.270 nan 0.000 0.450 447 Q N 3.664 123.448 119.800 -0.026 0.000 2.235 447 Q HA 0.477 4.814 4.340 -0.006 0.000 0.256 447 Q C -2.165 173.837 176.000 0.004 0.000 0.951 447 Q CA -1.857 53.947 55.803 0.001 0.000 0.890 447 Q CB 1.935 30.675 28.738 0.003 0.000 1.279 447 Q HN 0.476 nan 8.270 nan 0.000 0.444 448 P HA 0.119 nan 4.420 nan 0.000 0.284 448 P C -1.069 176.243 177.300 0.020 0.000 1.258 448 P CA -0.640 62.466 63.100 0.009 0.000 0.824 448 P CB 1.109 32.810 31.700 0.002 0.000 1.038 449 S N 1.726 117.436 115.700 0.017 0.000 4.139 449 S HA 0.186 4.652 4.470 -0.006 0.000 0.215 449 S C 0.650 175.252 174.600 0.004 0.000 1.390 449 S CA -0.571 57.643 58.200 0.024 0.000 0.885 449 S CB -1.167 62.040 63.200 0.013 0.000 1.560 449 S HN 0.269 nan 8.310 nan 0.000 0.449 450 L N 0.404 121.624 121.223 -0.006 0.000 2.978 450 L HA 0.606 4.942 4.340 -0.006 0.000 0.239 450 L C -0.000 176.737 176.870 -0.221 0.000 1.293 450 L CA -0.237 54.538 54.840 -0.110 0.000 1.085 450 L CB -1.593 40.366 42.059 -0.167 0.000 1.432 450 L HN 0.495 nan 8.230 nan 0.000 0.512 451 H N -1.919 117.108 119.070 -0.071 0.000 2.876 451 H HA 0.270 4.822 4.556 -0.006 0.000 0.284 451 H C 0.240 175.516 175.328 -0.087 0.000 1.445 451 H CA -0.702 55.290 56.048 -0.093 0.000 1.141 451 H CB 0.952 30.644 29.762 -0.117 0.000 1.816 451 H HN -0.052 nan 8.280 nan 0.000 0.511 452 K N 0.035 120.481 120.400 0.077 0.000 2.137 452 K HA 0.027 4.344 4.320 -0.006 0.000 0.202 452 K C 1.195 177.753 176.600 -0.070 0.000 1.052 452 K CA 1.294 57.569 56.287 -0.019 0.000 0.961 452 K CB 0.023 32.492 32.500 -0.051 0.000 0.741 452 K HN 0.247 nan 8.250 nan 0.000 0.452 453 M N 2.025 121.526 119.600 -0.165 0.000 2.435 453 M HA -0.066 4.411 4.480 -0.006 0.000 0.262 453 M C 1.336 177.415 176.300 -0.368 0.000 1.065 453 M CA 1.219 56.303 55.300 -0.360 0.000 1.076 453 M CB -0.147 32.064 32.600 -0.647 0.000 1.403 453 M HN 0.040 nan 8.290 nan 0.000 0.454 454 S N -0.460 115.175 115.700 -0.108 0.000 2.631 454 S HA 0.252 4.719 4.470 -0.006 0.000 0.217 454 S C 0.455 175.180 174.600 0.209 0.000 0.958 454 S CA 0.374 58.616 58.200 0.071 0.000 0.920 454 S CB -0.071 63.203 63.200 0.124 0.000 0.776 454 S HN 0.342 nan 8.310 nan 0.000 0.517 455 M N 1.539 121.193 119.600 0.091 0.000 2.433 455 M HA 0.558 5.035 4.480 -0.006 0.000 0.290 455 M C -1.377 174.958 176.300 0.059 0.000 1.173 455 M CA -0.048 55.322 55.300 0.118 0.000 0.905 455 M CB 2.293 34.908 32.600 0.024 0.000 1.692 455 M HN 0.077 nan 8.290 nan 0.000 0.462 456 M N 1.390 121.051 119.600 0.101 0.000 2.569 456 M HA 0.498 4.975 4.480 -0.006 0.000 0.287 456 M C -1.110 175.131 176.300 -0.098 0.000 1.130 456 M CA -0.768 54.505 55.300 -0.045 0.000 0.885 456 M CB 1.741 34.257 32.600 -0.140 0.000 1.759 456 M HN 0.722 nan 8.290 nan 0.000 0.515 457 A N 1.666 124.396 122.820 -0.150 0.000 2.388 457 A HA 0.700 5.016 4.320 -0.006 0.000 0.257 457 A C -0.746 176.670 177.584 -0.279 0.000 1.095 457 A CA 0.094 52.067 52.037 -0.107 0.000 0.791 457 A CB 0.239 19.206 19.000 -0.054 0.000 1.029 457 A HN 0.812 nan 8.150 nan 0.000 0.489 458 H N 0.556 119.657 119.070 0.052 0.000 2.864 458 H HA 0.464 5.017 4.556 -0.006 0.000 0.354 458 H C -0.628 174.696 175.328 -0.008 0.000 1.208 458 H CA -0.706 55.350 56.048 0.013 0.000 1.191 458 H CB 1.471 31.210 29.762 -0.037 0.000 1.889 458 H HN 0.698 nan 8.280 nan 0.000 0.574 459 R N 0.987 121.573 120.500 0.143 0.000 2.295 459 R HA 0.352 4.688 4.340 -0.006 0.000 0.324 459 R C -0.699 175.617 176.300 0.027 0.000 0.968 459 R CA -0.643 55.494 56.100 0.062 0.000 0.837 459 R CB 1.162 31.492 30.300 0.051 0.000 1.133 459 R HN 0.191 nan 8.270 nan 0.000 0.450 460 V N 3.667 123.591 119.914 0.017 0.000 2.715 460 V HA 0.113 4.230 4.120 -0.006 0.000 0.299 460 V C 0.156 176.246 176.094 -0.007 0.000 1.054 460 V CA 0.075 62.374 62.300 -0.002 0.000 1.077 460 V CB 1.162 33.000 31.823 0.025 0.000 0.972 460 V HN 0.555 nan 8.190 nan 0.000 0.484 461 K N 4.553 124.936 120.400 -0.028 0.000 2.723 461 K HA 0.400 4.717 4.320 -0.006 0.000 0.229 461 K C -1.100 175.467 176.600 -0.055 0.000 1.022 461 K CA -0.442 55.826 56.287 -0.031 0.000 1.045 461 K CB 1.023 33.502 32.500 -0.035 0.000 1.227 461 K HN 0.395 nan 8.250 nan 0.000 0.516 462 V N 4.593 124.457 119.914 -0.082 0.000 2.843 462 V HA 0.402 4.518 4.120 -0.006 0.000 0.305 462 V C 0.635 176.651 176.094 -0.131 0.000 1.065 462 V CA -0.279 61.928 62.300 -0.155 0.000 1.116 462 V CB -0.293 31.304 31.823 -0.376 0.000 0.968 462 V HN 0.680 nan 8.190 nan 0.000 0.487 463 I N 1.416 121.920 120.570 -0.110 0.000 3.181 463 I HA 0.752 4.918 4.170 -0.006 0.000 0.311 463 I C -2.869 173.234 176.117 -0.024 0.000 1.287 463 I CA -2.481 58.785 61.300 -0.056 0.000 0.958 463 I CB 1.711 39.689 38.000 -0.037 0.000 1.294 463 I HN 0.421 nan 8.210 nan 0.000 0.467 464 P HA 0.309 nan 4.420 nan 0.000 0.277 464 P C -1.269 176.211 177.300 0.300 0.000 1.271 464 P CA 0.228 63.410 63.100 0.137 0.000 0.795 464 P CB 0.312 32.164 31.700 0.252 0.000 1.101 465 Y N -2.678 117.573 120.300 -0.082 0.000 2.508 465 Y HA -0.198 4.350 4.550 -0.003 0.000 0.021 465 Y C 0.663 176.499 175.900 -0.108 0.000 1.704 465 Y CA 0.795 58.843 58.100 -0.086 0.000 1.418 465 Y CB -2.054 36.356 38.460 -0.082 0.000 2.063 465 Y HN 0.381 nan 8.280 nan 0.000 0.254 466 S N -0.545 115.166 115.700 0.020 0.000 2.460 466 S HA 0.542 5.009 4.470 -0.006 0.000 0.211 466 S C -0.313 174.216 174.600 -0.118 0.000 1.312 466 S CA -0.064 58.089 58.200 -0.077 0.000 1.256 466 S CB 0.145 63.288 63.200 -0.096 0.000 1.086 466 S HN 0.847 nan 8.310 nan 0.000 0.507 467 T N -1.470 113.021 114.554 -0.105 0.000 2.893 467 T HA 0.654 5.001 4.350 -0.006 0.000 0.293 467 T C -0.493 174.142 174.700 -0.108 0.000 1.027 467 T CA -0.778 61.255 62.100 -0.111 0.000 0.988 467 T CB 0.616 69.452 68.868 -0.054 0.000 1.043 467 T HN 0.238 nan 8.240 nan 0.000 0.461 468 F N 2.086 122.027 119.950 -0.015 0.000 2.504 468 F HA 0.340 4.864 4.527 -0.005 0.000 0.369 468 F C 1.572 177.299 175.800 -0.121 0.000 1.082 468 F CA -0.610 57.349 58.000 -0.069 0.000 1.216 468 F CB 0.731 39.770 39.000 0.064 0.000 1.108 468 F HN 0.268 nan 8.300 nan 0.000 0.554 469 R N 4.876 125.381 120.500 0.008 0.000 2.460 469 R HA 0.689 5.026 4.340 -0.006 0.000 0.303 469 R C -1.187 175.014 176.300 -0.164 0.000 0.968 469 R CA -0.940 55.102 56.100 -0.097 0.000 0.889 469 R CB 1.709 31.940 30.300 -0.116 0.000 1.123 469 R HN 0.517 nan 8.270 nan 0.000 0.455 470 L N -0.651 120.499 121.223 -0.123 0.000 2.491 470 L HA 0.538 4.874 4.340 -0.006 0.000 0.254 470 L C -0.557 176.304 176.870 -0.015 0.000 1.048 470 L CA -1.149 53.630 54.840 -0.102 0.000 0.855 470 L CB 0.885 42.904 42.059 -0.066 0.000 1.466 470 L HN 0.308 nan 8.230 nan 0.000 0.409 471 N N 0.590 119.293 118.700 0.005 0.000 2.497 471 N HA 0.297 5.034 4.740 -0.006 0.000 0.271 471 N C 0.902 176.465 175.510 0.088 0.000 1.142 471 N CA -0.054 53.013 53.050 0.028 0.000 0.965 471 N CB 1.053 39.542 38.487 0.002 0.000 1.077 471 N HN 0.849 nan 8.380 nan 0.000 0.462 472 L N 2.192 123.476 121.223 0.102 0.000 1.965 472 L HA -0.260 4.077 4.340 -0.006 0.000 0.226 472 L C 1.884 178.782 176.870 0.047 0.000 1.083 472 L CA 1.404 56.327 54.840 0.138 0.000 0.790 472 L CB -0.686 41.437 42.059 0.106 0.000 0.898 472 L HN 0.522 nan 8.230 nan 0.000 0.439 473 S N -0.991 114.686 115.700 -0.038 0.000 2.693 473 S HA -0.067 4.399 4.470 -0.006 0.000 0.243 473 S C 1.021 175.472 174.600 -0.247 0.000 0.973 473 S CA 0.452 58.547 58.200 -0.175 0.000 0.969 473 S CB -0.192 62.817 63.200 -0.318 0.000 0.771 473 S HN 0.318 nan 8.310 nan 0.000 0.542 474 V N 0.369 120.233 119.914 -0.082 0.000 3.085 474 V HA 0.150 4.266 4.120 -0.006 0.000 0.345 474 V C 1.381 177.535 176.094 0.099 0.000 1.397 474 V CA 0.248 62.534 62.300 -0.023 0.000 1.165 474 V CB 0.028 31.937 31.823 0.143 0.000 1.153 474 V HN 0.361 nan 8.190 nan 0.000 0.495 475 T N 0.628 115.207 114.554 0.043 0.000 2.571 475 T HA -0.114 4.232 4.350 -0.006 0.000 0.255 475 T C 1.984 176.685 174.700 0.002 0.000 1.100 475 T CA 2.148 64.278 62.100 0.049 0.000 1.199 475 T CB -0.117 68.724 68.868 -0.046 0.000 0.870 475 T HN 0.721 nan 8.240 nan 0.000 0.399 476 S N 2.915 118.578 115.700 -0.061 0.000 2.380 476 S HA -0.211 4.255 4.470 -0.006 0.000 0.290 476 S C -0.410 174.111 174.600 -0.132 0.000 1.080 476 S CA 2.147 60.297 58.200 -0.083 0.000 1.468 476 S CB -2.295 60.850 63.200 -0.091 0.000 1.303 476 S HN 0.533 nan 8.310 nan 0.000 0.457 477 P HA -0.207 nan 4.420 nan 0.000 0.219 477 P C 0.886 177.937 177.300 -0.416 0.000 1.149 477 P CA 1.841 64.672 63.100 -0.448 0.000 0.835 477 P CB -0.291 31.059 31.700 -0.583 0.000 0.778 478 Y N -1.538 118.716 120.300 -0.077 0.000 2.301 478 Y HA 0.079 4.626 4.550 -0.005 0.000 0.295 478 Y C 1.191 177.063 175.900 -0.048 0.000 1.119 478 Y CA 0.288 58.355 58.100 -0.055 0.000 1.162 478 Y CB -0.113 38.322 38.460 -0.042 0.000 1.046 478 Y HN -0.057 nan 8.280 nan 0.000 0.538 479 N N 0.101 118.850 118.700 0.082 0.000 2.846 479 N HA -0.143 4.593 4.740 -0.006 0.000 0.249 479 N C -1.239 174.267 175.510 -0.006 0.000 1.090 479 N CA 0.540 53.601 53.050 0.017 0.000 0.674 479 N CB -1.175 37.326 38.487 0.024 0.000 0.938 479 N HN 0.356 nan 8.380 nan 0.000 0.559 480 A N 0.743 123.539 122.820 -0.039 0.000 2.337 480 A HA 0.742 5.059 4.320 -0.006 0.000 0.331 480 A C -0.042 177.352 177.584 -0.316 0.000 1.137 480 A CA -0.006 51.957 52.037 -0.122 0.000 0.807 480 A CB 1.055 20.007 19.000 -0.081 0.000 1.250 480 A HN 0.552 nan 8.150 nan 0.000 0.468 481 D N -1.108 119.093 120.400 -0.333 0.000 2.687 481 D HA 0.615 5.252 4.640 -0.006 0.000 0.264 481 D C -0.985 175.010 176.300 -0.510 0.000 1.091 481 D CA -0.519 53.163 54.000 -0.530 0.000 1.123 481 D CB 0.535 41.185 40.800 -0.251 0.000 1.407 481 D HN 0.286 nan 8.370 nan 0.000 0.591 482 F N 0.098 120.058 119.950 0.016 0.000 2.449 482 F HA 0.271 4.795 4.527 -0.005 0.000 0.329 482 F C -0.198 175.606 175.800 0.007 0.000 1.245 482 F CA -0.784 57.224 58.000 0.014 0.000 1.193 482 F CB 0.758 39.765 39.000 0.011 0.000 1.425 482 F HN 0.259 nan 8.300 nan 0.000 0.544 483 D N -0.455 120.031 120.400 0.144 0.000 2.673 483 D HA 0.320 4.957 4.640 -0.006 0.000 0.278 483 D C 1.263 177.605 176.300 0.069 0.000 1.393 483 D CA -0.060 53.993 54.000 0.087 0.000 0.805 483 D CB 0.670 41.497 40.800 0.044 0.000 1.110 483 D HN 0.527 nan 8.370 nan 0.000 0.476 484 G N 0.252 109.110 108.800 0.096 0.000 2.318 484 G HA2 -0.199 3.757 3.960 -0.006 0.000 0.172 484 G HA3 -0.199 3.757 3.960 -0.006 0.000 0.172 484 G C -0.363 174.579 174.900 0.071 0.000 1.002 484 G CA -0.455 44.688 45.100 0.072 0.000 0.697 484 G HN 0.294 nan 8.290 nan 0.000 0.483 485 D N 1.333 121.777 120.400 0.073 0.000 2.548 485 D HA 0.406 5.043 4.640 -0.006 0.000 0.231 485 D C 0.576 176.923 176.300 0.078 0.000 1.142 485 D CA 0.799 54.831 54.000 0.053 0.000 0.866 485 D CB 0.768 41.585 40.800 0.027 0.000 1.190 485 D HN 0.490 nan 8.370 nan 0.000 0.469 486 E N 0.843 121.076 120.200 0.055 0.000 2.222 486 E HA 0.606 4.953 4.350 -0.006 0.000 0.267 486 E C -0.595 176.033 176.600 0.047 0.000 0.963 486 E CA -0.761 55.683 56.400 0.073 0.000 0.837 486 E CB 1.219 30.950 29.700 0.052 0.000 1.183 486 E HN 0.325 nan 8.360 nan 0.000 0.403 487 M N 2.022 121.676 119.600 0.090 0.000 2.371 487 M HA 0.327 4.803 4.480 -0.006 0.000 0.287 487 M C -1.325 174.955 176.300 -0.034 0.000 1.149 487 M CA -0.919 54.326 55.300 -0.091 0.000 0.929 487 M CB 2.049 34.447 32.600 -0.337 0.000 1.683 487 M HN 0.403 nan 8.290 nan 0.000 0.470 488 N N 2.156 120.751 118.700 -0.174 0.000 2.493 488 N HA 0.727 5.464 4.740 -0.006 0.000 0.275 488 N C -1.359 174.055 175.510 -0.160 0.000 1.186 488 N CA -0.391 52.612 53.050 -0.078 0.000 0.978 488 N CB 1.765 40.240 38.487 -0.020 0.000 1.184 488 N HN 0.593 nan 8.380 nan 0.000 0.487 489 L N 0.649 121.824 121.223 -0.080 0.000 2.431 489 L HA 0.441 4.778 4.340 -0.006 0.000 0.266 489 L C -1.147 175.663 176.870 -0.100 0.000 0.978 489 L CA -0.533 54.312 54.840 0.009 0.000 0.822 489 L CB 1.600 43.669 42.059 0.017 0.000 1.310 489 L HN 0.535 nan 8.230 nan 0.000 0.409 490 H N 3.269 122.407 119.070 0.114 0.000 2.797 490 H HA 0.693 5.246 4.556 -0.005 0.000 0.372 490 H C -1.333 174.078 175.328 0.137 0.000 1.168 490 H CA -0.869 55.258 56.048 0.131 0.000 1.163 490 H CB 2.521 32.343 29.762 0.101 0.000 1.778 490 H HN 0.376 nan 8.280 nan 0.000 0.551 491 V N 3.257 123.326 119.914 0.259 0.000 2.482 491 V HA 0.186 4.302 4.120 -0.006 0.000 0.295 491 V C -2.227 173.945 176.094 0.131 0.000 1.026 491 V CA -1.770 60.634 62.300 0.173 0.000 0.856 491 V CB 1.674 33.572 31.823 0.124 0.000 1.001 491 V HN 0.621 nan 8.190 nan 0.000 0.424 492 P HA 0.045 nan 4.420 nan 0.000 0.264 492 P C -0.506 176.866 177.300 0.120 0.000 1.183 492 P CA 0.247 63.424 63.100 0.127 0.000 0.763 492 P CB 1.235 33.013 31.700 0.129 0.000 0.807 493 Q N 0.413 120.236 119.800 0.038 0.000 2.317 493 Q HA 0.157 4.493 4.340 -0.006 0.000 0.220 493 Q C 0.369 176.326 176.000 -0.072 0.000 0.873 493 Q CA 0.608 56.322 55.803 -0.149 0.000 0.936 493 Q CB 0.259 28.877 28.738 -0.200 0.000 1.105 493 Q HN 0.436 nan 8.270 nan 0.000 0.520 494 S N 0.718 116.474 115.700 0.094 0.000 2.549 494 S HA 0.255 4.722 4.470 -0.006 0.000 0.297 494 S C 0.913 175.632 174.600 0.199 0.000 1.115 494 S CA -0.663 57.605 58.200 0.112 0.000 1.059 494 S CB 2.001 65.243 63.200 0.070 0.000 1.046 494 S HN -0.021 nan 8.310 nan 0.000 0.506 495 E N 2.077 122.392 120.200 0.192 0.000 2.118 495 E HA -0.191 4.156 4.350 -0.006 0.000 0.195 495 E C 1.744 178.402 176.600 0.096 0.000 0.992 495 E CA 1.444 57.936 56.400 0.153 0.000 0.804 495 E CB -0.080 29.696 29.700 0.127 0.000 0.741 495 E HN 0.835 nan 8.360 nan 0.000 0.458 496 E N -0.259 119.993 120.200 0.086 0.000 2.007 496 E HA -0.140 4.206 4.350 -0.006 0.000 0.194 496 E C 2.143 178.782 176.600 0.065 0.000 0.999 496 E CA 1.536 57.977 56.400 0.068 0.000 0.811 496 E CB -0.762 28.976 29.700 0.063 0.000 0.762 496 E HN 0.001 nan 8.360 nan 0.000 0.450 497 T N 1.578 116.174 114.554 0.071 0.000 2.653 497 T HA -0.259 4.088 4.350 -0.006 0.000 0.267 497 T C 1.853 176.592 174.700 0.065 0.000 1.037 497 T CA 2.302 64.442 62.100 0.067 0.000 1.159 497 T CB -0.392 68.525 68.868 0.082 0.000 0.859 497 T HN 0.247 nan 8.240 nan 0.000 0.449 498 R N 1.227 121.772 120.500 0.076 0.000 2.083 498 R HA -0.034 4.303 4.340 -0.006 0.000 0.237 498 R C 2.879 179.193 176.300 0.025 0.000 1.137 498 R CA 1.436 57.559 56.100 0.039 0.000 0.951 498 R CB -0.731 29.568 30.300 -0.001 0.000 0.851 498 R HN 0.434 nan 8.270 nan 0.000 0.434 499 A N 1.656 124.495 122.820 0.032 0.000 1.851 499 A HA -0.262 4.054 4.320 -0.006 0.000 0.216 499 A C 2.086 179.687 177.584 0.029 0.000 1.195 499 A CA 1.753 53.807 52.037 0.029 0.000 0.622 499 A CB -0.674 18.349 19.000 0.039 0.000 0.831 499 A HN 0.392 nan 8.150 nan 0.000 0.444 500 E N -0.691 119.530 120.200 0.036 0.000 2.208 500 E HA -0.203 4.144 4.350 -0.006 0.000 0.202 500 E C 1.858 178.468 176.600 0.016 0.000 1.014 500 E CA 1.293 57.711 56.400 0.030 0.000 0.819 500 E CB -0.125 29.592 29.700 0.029 0.000 0.735 500 E HN 0.546 nan 8.360 nan 0.000 0.469 501 L N -0.216 121.017 121.223 0.016 0.000 2.102 501 L HA -0.068 4.268 4.340 -0.006 0.000 0.202 501 L C 2.441 179.307 176.870 -0.006 0.000 1.076 501 L CA 1.570 56.414 54.840 0.006 0.000 0.761 501 L CB -0.780 41.290 42.059 0.019 0.000 0.921 501 L HN 0.244 nan 8.230 nan 0.000 0.444 502 S N -1.373 114.326 115.700 -0.001 0.000 2.461 502 S HA -0.074 4.393 4.470 -0.006 0.000 0.228 502 S C 1.705 176.302 174.600 -0.005 0.000 1.005 502 S CA 0.325 58.521 58.200 -0.006 0.000 0.942 502 S CB 0.059 63.256 63.200 -0.004 0.000 0.776 502 S HN 0.372 nan 8.310 nan 0.000 0.514 503 Q N 0.259 120.061 119.800 0.002 0.000 2.324 503 Q HA 0.387 4.723 4.340 -0.006 0.000 0.207 503 Q C 1.656 177.658 176.000 0.003 0.000 0.928 503 Q CA 0.567 56.375 55.803 0.008 0.000 0.890 503 Q CB -0.340 28.412 28.738 0.022 0.000 1.001 503 Q HN 0.443 nan 8.270 nan 0.000 0.517 504 L N -1.077 120.145 121.223 -0.001 0.000 2.362 504 L HA 0.091 4.427 4.340 -0.006 0.000 0.204 504 L C 1.789 178.638 176.870 -0.034 0.000 1.060 504 L CA 0.831 55.664 54.840 -0.012 0.000 0.827 504 L CB -0.248 41.810 42.059 -0.001 0.000 1.027 504 L HN 0.079 nan 8.230 nan 0.000 0.474 505 C N 0.219 119.499 119.300 -0.034 0.000 2.697 505 C HA 0.558 5.014 4.460 -0.006 0.000 0.267 505 C C 1.328 176.273 174.990 -0.076 0.000 1.278 505 C CA -0.927 58.060 59.018 -0.052 0.000 1.708 505 C CB -1.525 26.192 27.740 -0.038 0.000 1.860 505 C HN 0.326 nan 8.230 nan 0.000 0.589 506 A N 0.574 123.352 122.820 -0.070 0.000 2.354 506 A HA 0.454 4.771 4.320 -0.006 0.000 0.269 506 A C 1.356 178.872 177.584 -0.112 0.000 1.109 506 A CA -0.084 51.894 52.037 -0.097 0.000 0.800 506 A CB 0.379 19.341 19.000 -0.063 0.000 1.045 506 A HN 0.160 nan 8.150 nan 0.000 0.489 507 V N 2.679 122.494 119.914 -0.165 0.000 2.357 507 V HA -0.231 3.886 4.120 -0.006 0.000 0.257 507 V C -0.500 175.553 176.094 -0.069 0.000 1.082 507 V CA 2.909 65.126 62.300 -0.137 0.000 1.078 507 V CB -1.468 30.282 31.823 -0.120 0.000 0.663 507 V HN 0.864 nan 8.190 nan 0.000 0.455 508 P HA -0.070 nan 4.420 nan 0.000 0.218 508 P C 1.872 179.159 177.300 -0.022 0.000 1.152 508 P CA 1.174 64.275 63.100 0.003 0.000 0.826 508 P CB -0.101 31.613 31.700 0.023 0.000 0.790 509 L N -0.774 120.424 121.223 -0.041 0.000 2.127 509 L HA -0.185 4.152 4.340 -0.006 0.000 0.211 509 L C 2.244 179.063 176.870 -0.084 0.000 1.089 509 L CA 1.343 56.150 54.840 -0.055 0.000 0.757 509 L CB -1.073 40.952 42.059 -0.056 0.000 0.899 509 L HN 0.044 nan 8.230 nan 0.000 0.434 510 Q N -0.221 119.519 119.800 -0.100 0.000 2.424 510 Q HA 0.060 4.396 4.340 -0.006 0.000 0.204 510 Q C 2.232 178.154 176.000 -0.130 0.000 0.933 510 Q CA 0.559 56.282 55.803 -0.132 0.000 0.929 510 Q CB 0.075 28.713 28.738 -0.165 0.000 1.037 510 Q HN 0.570 nan 8.270 nan 0.000 0.511 511 I N -0.071 120.446 120.570 -0.088 0.000 2.113 511 I HA -0.224 3.943 4.170 -0.006 0.000 0.242 511 I C 1.105 177.162 176.117 -0.100 0.000 1.057 511 I CA 1.093 62.359 61.300 -0.056 0.000 1.314 511 I CB -0.203 37.820 38.000 0.038 0.000 1.022 511 I HN -0.084 nan 8.210 nan 0.000 0.408 512 V N 1.904 121.736 119.914 -0.137 0.000 2.320 512 V HA 0.157 4.273 4.120 -0.006 0.000 0.265 512 V C 0.257 176.236 176.094 -0.192 0.000 1.048 512 V CA -0.247 61.924 62.300 -0.215 0.000 0.865 512 V CB 0.957 32.594 31.823 -0.310 0.000 1.043 512 V HN 0.320 nan 8.190 nan 0.000 0.474 513 S N 8.893 124.491 115.700 -0.170 0.000 2.513 513 S HA 0.425 4.891 4.470 -0.006 0.000 0.276 513 S C -0.915 173.624 174.600 -0.102 0.000 1.254 513 S CA -1.064 57.052 58.200 -0.140 0.000 1.053 513 S CB 1.554 64.668 63.200 -0.143 0.000 0.958 513 S HN 0.670 nan 8.310 nan 0.000 0.491 514 P HA -0.143 nan 4.420 nan 0.000 0.223 514 P C 1.273 178.658 177.300 0.143 0.000 1.151 514 P CA 0.804 63.916 63.100 0.020 0.000 0.787 514 P CB 0.123 31.834 31.700 0.019 0.000 0.788 515 Q N 1.348 121.162 119.800 0.023 0.000 2.002 515 Q HA -0.103 4.234 4.340 -0.006 0.000 0.204 515 Q C 0.934 176.903 176.000 -0.052 0.000 0.988 515 Q CA 2.355 58.123 55.803 -0.058 0.000 0.843 515 Q CB -0.387 28.295 28.738 -0.094 0.000 0.908 515 Q HN 0.115 nan 8.270 nan 0.000 0.420 516 S N 1.315 116.940 115.700 -0.124 0.000 2.741 516 S HA 0.114 4.581 4.470 -0.006 0.000 0.247 516 S C -0.481 173.975 174.600 -0.239 0.000 1.050 516 S CA 0.059 58.081 58.200 -0.296 0.000 1.025 516 S CB 0.095 63.141 63.200 -0.257 0.000 0.897 516 S HN 0.709 nan 8.310 nan 0.000 0.508 517 N N 2.362 121.004 118.700 -0.097 0.000 2.685 517 N HA -0.309 4.428 4.740 -0.006 0.000 0.251 517 N C -0.320 175.245 175.510 0.093 0.000 1.020 517 N CA 1.651 54.702 53.050 0.002 0.000 0.762 517 N CB -1.662 36.858 38.487 0.054 0.000 0.958 517 N HN 0.801 nan 8.380 nan 0.000 0.539 518 K N -2.392 118.013 120.400 0.009 0.000 2.283 518 K HA 0.683 5.000 4.320 -0.006 0.000 0.257 518 K C -3.282 173.239 176.600 -0.132 0.000 1.066 518 K CA -2.022 54.302 56.287 0.060 0.000 0.891 518 K CB 2.373 34.923 32.500 0.082 0.000 1.438 518 K HN -0.055 nan 8.250 nan 0.000 0.464 519 P HA 0.162 nan 4.420 nan 0.000 0.284 519 P C 0.365 177.627 177.300 -0.064 0.000 1.258 519 P CA -0.590 62.436 63.100 -0.124 0.000 0.824 519 P CB 1.073 32.738 31.700 -0.059 0.000 1.038 520 C N 0.860 120.109 119.300 -0.085 0.000 3.000 520 C HA 0.516 4.972 4.460 -0.006 0.000 0.286 520 C C 0.496 175.425 174.990 -0.102 0.000 1.343 520 C CA -0.543 58.413 59.018 -0.102 0.000 1.742 520 C CB -1.356 26.282 27.740 -0.170 0.000 2.200 520 C HN 0.380 nan 8.230 nan 0.000 0.621 521 M N 0.801 120.367 119.600 -0.057 0.000 2.518 521 M HA 0.679 5.156 4.480 -0.006 0.000 0.300 521 M C 0.223 176.562 176.300 0.065 0.000 1.175 521 M CA 0.135 55.374 55.300 -0.101 0.000 0.890 521 M CB 2.057 34.483 32.600 -0.289 0.000 1.710 521 M HN 0.272 nan 8.290 nan 0.000 0.453 522 G N 1.512 110.353 108.800 0.068 0.000 3.418 522 G HA2 0.746 4.703 3.960 -0.006 0.000 0.179 522 G HA3 0.746 4.703 3.960 -0.006 0.000 0.179 522 G C -1.530 173.547 174.900 0.296 0.000 1.212 522 G CA -0.280 44.976 45.100 0.260 0.000 0.935 522 G HN 0.483 nan 8.290 nan 0.000 0.716 523 I N 0.745 121.417 120.570 0.169 0.000 2.548 523 I HA 0.516 4.683 4.170 -0.006 0.000 0.287 523 I C -0.503 175.660 176.117 0.075 0.000 1.103 523 I CA -0.570 60.814 61.300 0.140 0.000 1.049 523 I CB 2.089 40.171 38.000 0.137 0.000 1.232 523 I HN 0.314 nan 8.210 nan 0.000 0.429 524 V N 4.760 124.710 119.914 0.060 0.000 2.960 524 V HA 0.653 4.769 4.120 -0.006 0.000 0.315 524 V C 0.316 176.441 176.094 0.053 0.000 1.087 524 V CA -0.673 61.655 62.300 0.046 0.000 0.982 524 V CB 1.443 33.284 31.823 0.030 0.000 1.039 524 V HN 0.881 nan 8.190 nan 0.000 0.437 525 Q N 0.001 119.833 119.800 0.053 0.000 1.918 525 Q HA -0.366 3.970 4.340 -0.006 0.000 0.390 525 Q C 1.025 177.072 176.000 0.078 0.000 0.761 525 Q CA 2.128 57.973 55.803 0.070 0.000 0.885 525 Q CB -1.359 27.423 28.738 0.074 0.000 3.219 525 Q HN 0.932 nan 8.270 nan 0.000 0.778 526 D N 0.503 120.955 120.400 0.087 0.000 2.182 526 D HA -0.143 4.494 4.640 -0.006 0.000 0.193 526 D C 1.974 178.308 176.300 0.058 0.000 0.999 526 D CA 2.649 56.701 54.000 0.087 0.000 0.850 526 D CB -0.664 40.177 40.800 0.068 0.000 0.994 526 D HN 0.556 nan 8.370 nan 0.000 0.450 527 T N 0.347 114.929 114.554 0.048 0.000 2.668 527 T HA -0.260 4.087 4.350 -0.006 0.000 0.265 527 T C 1.729 176.447 174.700 0.031 0.000 1.041 527 T CA 1.709 63.833 62.100 0.039 0.000 1.160 527 T CB -0.457 68.439 68.868 0.047 0.000 0.857 527 T HN 0.081 nan 8.240 nan 0.000 0.455 528 L N 0.519 121.761 121.223 0.031 0.000 2.209 528 L HA 0.268 4.605 4.340 -0.006 0.000 0.207 528 L C 2.328 179.190 176.870 -0.014 0.000 1.094 528 L CA 1.074 55.922 54.840 0.013 0.000 0.790 528 L CB -1.095 40.980 42.059 0.026 0.000 0.932 528 L HN 0.445 nan 8.230 nan 0.000 0.447 529 C N 0.591 119.882 119.300 -0.014 0.000 2.479 529 C HA 0.287 4.744 4.460 -0.006 0.000 0.292 529 C C 1.824 176.732 174.990 -0.136 0.000 1.497 529 C CA 0.712 59.673 59.018 -0.096 0.000 1.714 529 C CB -2.229 25.436 27.740 -0.126 0.000 1.610 529 C HN 0.768 nan 8.230 nan 0.000 0.589 530 G N -0.507 108.258 108.800 -0.057 0.000 3.601 530 G HA2 0.064 4.021 3.960 -0.006 0.000 0.192 530 G HA3 0.064 4.021 3.960 -0.006 0.000 0.192 530 G C 0.795 175.659 174.900 -0.061 0.000 1.184 530 G CA 0.554 45.630 45.100 -0.040 0.000 0.891 530 G HN 0.500 nan 8.290 nan 0.000 0.706 531 I N 0.924 121.469 120.570 -0.041 0.000 2.908 531 I HA 0.008 4.175 4.170 -0.006 0.000 0.271 531 I C 2.034 178.089 176.117 -0.102 0.000 1.275 531 I CA 1.946 63.214 61.300 -0.054 0.000 1.446 531 I CB 0.126 38.110 38.000 -0.026 0.000 1.092 531 I HN 0.267 nan 8.210 nan 0.000 0.482 532 R N 0.969 121.401 120.500 -0.114 0.000 2.167 532 R HA 0.046 4.382 4.340 -0.006 0.000 0.195 532 R C 2.075 178.251 176.300 -0.207 0.000 1.027 532 R CA 0.508 56.520 56.100 -0.147 0.000 1.114 532 R CB -0.353 29.884 30.300 -0.106 0.000 1.075 532 R HN 0.375 nan 8.270 nan 0.000 0.538 533 K N 1.211 121.492 120.400 -0.198 0.000 2.147 533 K HA -0.145 4.172 4.320 -0.006 0.000 0.205 533 K C 2.093 178.410 176.600 -0.470 0.000 1.049 533 K CA 1.379 57.535 56.287 -0.218 0.000 0.936 533 K CB -0.602 31.860 32.500 -0.063 0.000 0.722 533 K HN 0.188 nan 8.250 nan 0.000 0.446 534 L N 2.276 122.991 121.223 -0.846 0.000 2.051 534 L HA -0.196 4.141 4.340 -0.006 0.000 0.214 534 L C 2.176 178.650 176.870 -0.660 0.000 1.076 534 L CA 2.037 56.087 54.840 -1.316 0.000 0.758 534 L CB -0.780 40.620 42.059 -1.098 0.000 0.890 534 L HN 0.168 nan 8.230 nan 0.000 0.433 535 T N 0.441 114.749 114.554 -0.411 0.000 2.904 535 T HA 0.045 4.391 4.350 -0.006 0.000 0.267 535 T C 0.858 175.427 174.700 -0.218 0.000 1.059 535 T CA 0.312 62.253 62.100 -0.266 0.000 1.137 535 T CB -0.438 68.318 68.868 -0.185 0.000 0.879 535 T HN 0.249 nan 8.240 nan 0.000 0.467 536 L N 2.213 123.309 121.223 -0.212 0.000 2.653 536 L HA -0.022 4.314 4.340 -0.006 0.000 0.288 536 L C 1.784 178.522 176.870 -0.221 0.000 1.243 536 L CA -0.119 54.617 54.840 -0.173 0.000 0.906 536 L CB 0.138 42.107 42.059 -0.149 0.000 1.154 536 L HN 0.157 nan 8.230 nan 0.000 0.498 537 R N 1.756 122.151 120.500 -0.175 0.000 2.191 537 R HA -0.263 4.074 4.340 -0.006 0.000 0.248 537 R C 1.318 177.358 176.300 -0.433 0.000 1.127 537 R CA 2.401 58.378 56.100 -0.205 0.000 0.943 537 R CB -0.369 29.865 30.300 -0.110 0.000 0.891 537 R HN 0.740 nan 8.270 nan 0.000 0.439 538 D N -0.134 120.069 120.400 -0.327 0.000 2.417 538 D HA -0.071 4.565 4.640 -0.006 0.000 0.225 538 D C -0.360 175.644 176.300 -0.493 0.000 0.983 538 D CA 0.886 54.680 54.000 -0.343 0.000 0.949 538 D CB 0.002 40.717 40.800 -0.142 0.000 0.879 538 D HN 0.075 nan 8.370 nan 0.000 0.520 539 T N 0.375 114.561 114.554 -0.615 0.000 2.781 539 T HA 0.323 4.669 4.350 -0.006 0.000 0.305 539 T C -0.379 174.021 174.700 -0.499 0.000 1.001 539 T CA -0.379 61.462 62.100 -0.431 0.000 0.950 539 T CB 0.111 68.798 68.868 -0.301 0.000 0.955 539 T HN -0.106 nan 8.240 nan 0.000 0.471 540 F N 3.029 123.048 119.950 0.114 0.000 2.480 540 F HA 0.642 5.165 4.527 -0.006 0.000 0.329 540 F C 0.184 176.107 175.800 0.205 0.000 1.091 540 F CA -1.274 56.813 58.000 0.145 0.000 0.972 540 F CB 1.485 40.561 39.000 0.127 0.000 1.150 540 F HN 0.298 nan 8.300 nan 0.000 0.467 541 I N 2.326 123.179 120.570 0.472 0.000 2.436 541 I HA 0.253 4.420 4.170 -0.006 0.000 0.289 541 I C -0.536 175.770 176.117 0.315 0.000 1.010 541 I CA -0.443 61.067 61.300 0.350 0.000 1.098 541 I CB 1.815 39.980 38.000 0.276 0.000 1.266 541 I HN 0.624 nan 8.210 nan 0.000 0.434 542 E N 5.081 125.411 120.200 0.218 0.000 2.259 542 E HA 0.360 4.707 4.350 -0.006 0.000 0.257 542 E C 0.794 177.393 176.600 -0.001 0.000 0.998 542 E CA -0.860 55.675 56.400 0.224 0.000 0.866 542 E CB 1.260 31.093 29.700 0.222 0.000 1.220 542 E HN 0.367 nan 8.360 nan 0.000 0.415 543 L N 1.644 122.896 121.223 0.048 0.000 2.107 543 L HA -0.409 3.928 4.340 -0.006 0.000 0.242 543 L C 1.833 178.588 176.870 -0.192 0.000 1.115 543 L CA 3.191 57.929 54.840 -0.170 0.000 0.842 543 L CB -0.983 41.148 42.059 0.120 0.000 0.941 543 L HN 0.942 nan 8.230 nan 0.000 0.448 544 D N -1.555 118.806 120.400 -0.064 0.000 2.127 544 D HA -0.287 4.349 4.640 -0.006 0.000 0.190 544 D C 1.884 178.128 176.300 -0.094 0.000 1.000 544 D CA 2.139 56.101 54.000 -0.064 0.000 0.839 544 D CB -0.880 39.907 40.800 -0.022 0.000 0.955 544 D HN 0.692 nan 8.370 nan 0.000 0.446 545 Q N 0.108 119.868 119.800 -0.067 0.000 2.045 545 Q HA -0.138 4.198 4.340 -0.006 0.000 0.206 545 Q C 2.662 178.577 176.000 -0.141 0.000 0.991 545 Q CA 1.871 57.655 55.803 -0.032 0.000 0.851 545 Q CB -0.319 28.454 28.738 0.058 0.000 0.911 545 Q HN 0.319 nan 8.270 nan 0.000 0.418 546 V N 1.550 121.302 119.914 -0.270 0.000 2.278 546 V HA -0.314 3.803 4.120 -0.006 0.000 0.251 546 V C 2.391 178.230 176.094 -0.426 0.000 1.062 546 V CA 1.848 63.877 62.300 -0.453 0.000 1.038 546 V CB -0.843 30.412 31.823 -0.946 0.000 0.646 546 V HN 0.318 nan 8.190 nan 0.000 0.447 547 L N 0.134 121.141 121.223 -0.360 0.000 1.990 547 L HA -0.231 4.105 4.340 -0.006 0.000 0.213 547 L C 2.592 179.302 176.870 -0.266 0.000 1.072 547 L CA 2.006 56.674 54.840 -0.287 0.000 0.755 547 L CB -0.864 41.096 42.059 -0.165 0.000 0.889 547 L HN 0.397 nan 8.230 nan 0.000 0.432 548 N N -0.349 118.232 118.700 -0.199 0.000 2.084 548 N HA -0.163 4.573 4.740 -0.006 0.000 0.190 548 N C 1.932 177.272 175.510 -0.283 0.000 1.030 548 N CA 1.476 54.414 53.050 -0.186 0.000 0.849 548 N CB -0.210 38.201 38.487 -0.126 0.000 1.012 548 N HN 0.327 nan 8.380 nan 0.000 0.423 549 M N 0.609 119.974 119.600 -0.393 0.000 2.082 549 M HA -0.195 4.282 4.480 -0.006 0.000 0.258 549 M C 1.934 178.042 176.300 -0.321 0.000 1.071 549 M CA 1.368 56.448 55.300 -0.365 0.000 1.103 549 M CB -0.487 31.945 32.600 -0.280 0.000 1.307 549 M HN 0.079 nan 8.290 nan 0.000 0.409 550 L N -0.412 120.493 121.223 -0.528 0.000 1.941 550 L HA -0.308 4.029 4.340 -0.006 0.000 0.224 550 L C 2.524 178.929 176.870 -0.776 0.000 1.081 550 L CA 2.236 56.483 54.840 -0.989 0.000 0.784 550 L CB -2.053 39.021 42.059 -1.642 0.000 0.894 550 L HN 0.340 nan 8.230 nan 0.000 0.436 551 Y N -0.718 119.094 120.300 -0.814 0.000 2.062 551 Y HA -0.335 4.211 4.550 -0.006 0.000 0.276 551 Y C 2.629 178.458 175.900 -0.117 0.000 1.189 551 Y CA 1.572 59.480 58.100 -0.320 0.000 1.130 551 Y CB -1.230 37.092 38.460 -0.230 0.000 0.959 551 Y HN 0.197 nan 8.280 nan 0.000 0.499 552 W N 0.295 121.429 121.300 -0.276 0.000 2.290 552 W HA -0.225 4.431 4.660 -0.006 0.000 0.311 552 W C 0.789 177.206 176.519 -0.171 0.000 1.238 552 W CA 1.474 58.630 57.345 -0.314 0.000 1.255 552 W CB -0.415 28.828 29.460 -0.362 0.000 1.145 552 W HN -0.226 nan 8.180 nan 0.000 0.506 553 V N 2.840 122.861 119.914 0.179 0.000 2.521 553 V HA -0.077 4.040 4.120 -0.006 0.000 0.286 553 V C -0.767 175.465 176.094 0.231 0.000 1.034 553 V CA -1.027 61.370 62.300 0.162 0.000 1.045 553 V CB 0.298 32.177 31.823 0.092 0.000 0.974 553 V HN -0.075 nan 8.190 nan 0.000 0.480 554 P HA -0.153 nan 4.420 nan 0.000 0.211 554 P C 1.036 178.466 177.300 0.218 0.000 1.179 554 P CA 1.278 64.493 63.100 0.192 0.000 0.910 554 P CB 0.295 32.078 31.700 0.139 0.000 0.785 555 D N -1.772 118.734 120.400 0.177 0.000 2.265 555 D HA -0.141 4.495 4.640 -0.006 0.000 0.208 555 D C 0.585 177.013 176.300 0.213 0.000 0.977 555 D CA 0.380 54.473 54.000 0.155 0.000 0.871 555 D CB -0.793 40.072 40.800 0.108 0.000 0.925 555 D HN 0.162 nan 8.370 nan 0.000 0.485 556 W N 3.811 125.150 121.300 0.066 0.000 2.545 556 W HA -0.205 4.452 4.660 -0.006 0.000 0.335 556 W C 1.254 177.794 176.519 0.036 0.000 0.865 556 W CA 0.194 57.574 57.345 0.058 0.000 0.935 556 W CB 0.009 29.523 29.460 0.091 0.000 1.023 556 W HN 0.101 nan 8.180 nan 0.000 0.551 557 D N 3.945 124.124 120.400 -0.369 0.000 2.378 557 D HA -0.054 4.582 4.640 -0.006 0.000 0.222 557 D C 1.558 177.329 176.300 -0.883 0.000 0.980 557 D CA 0.953 54.678 54.000 -0.459 0.000 0.907 557 D CB -0.471 40.187 40.800 -0.237 0.000 0.899 557 D HN 0.848 nan 8.370 nan 0.000 0.527 558 G N -0.159 107.377 108.800 -2.107 0.000 2.182 558 G HA2 -0.211 3.746 3.960 -0.006 0.000 0.248 558 G HA3 -0.211 3.746 3.960 -0.006 0.000 0.248 558 G C -0.007 174.253 174.900 -1.067 0.000 1.042 558 G CA 0.155 43.904 45.100 -2.252 0.000 0.775 558 G HN 0.388 nan 8.290 nan 0.000 0.501 559 V N 2.504 122.055 119.914 -0.605 0.000 2.276 559 V HA 0.308 4.424 4.120 -0.006 0.000 0.268 559 V C 0.761 177.022 176.094 0.277 0.000 1.032 559 V CA -1.332 60.925 62.300 -0.070 0.000 0.810 559 V CB 0.979 32.764 31.823 -0.063 0.000 1.060 559 V HN 0.321 nan 8.190 nan 0.000 0.446 560 I N 7.377 128.176 120.570 0.382 0.000 3.015 560 I HA 0.012 4.179 4.170 -0.006 0.000 0.309 560 I C -1.338 174.981 176.117 0.337 0.000 1.229 560 I CA -0.988 60.551 61.300 0.399 0.000 1.430 560 I CB -0.263 37.921 38.000 0.307 0.000 1.347 560 I HN 0.403 nan 8.210 nan 0.000 0.544 561 P HA 0.174 nan 4.420 nan 0.000 0.281 561 P C -0.487 177.051 177.300 0.397 0.000 1.249 561 P CA -0.458 62.834 63.100 0.319 0.000 0.810 561 P CB 0.586 32.463 31.700 0.296 0.000 1.008 562 T N 3.859 118.523 114.554 0.184 0.000 2.934 562 T HA 0.154 4.500 4.350 -0.006 0.000 0.306 562 T C -2.061 172.527 174.700 -0.186 0.000 1.042 562 T CA -0.366 61.747 62.100 0.022 0.000 1.145 562 T CB -0.816 68.043 68.868 -0.015 0.000 0.982 562 T HN 0.397 nan 8.240 nan 0.000 0.544 563 P HA 0.319 nan 4.420 nan 0.000 0.281 563 P C 0.398 177.326 177.300 -0.620 0.000 1.252 563 P CA -0.475 61.801 63.100 -1.373 0.000 0.778 563 P CB 0.676 31.153 31.700 -2.038 0.000 0.895 564 A N 4.400 126.974 122.820 -0.410 0.000 1.978 564 A HA -0.096 4.221 4.320 -0.006 0.000 0.220 564 A C 1.044 178.485 177.584 -0.238 0.000 1.170 564 A CA 1.235 53.150 52.037 -0.203 0.000 0.636 564 A CB -0.860 18.103 19.000 -0.063 0.000 0.810 564 A HN 0.574 nan 8.150 nan 0.000 0.448 565 I N -1.026 119.335 120.570 -0.349 0.000 2.441 565 I HA 0.369 4.535 4.170 -0.006 0.000 0.295 565 I C 0.434 176.353 176.117 -0.329 0.000 0.994 565 I CA -0.247 60.865 61.300 -0.313 0.000 1.144 565 I CB 1.864 39.640 38.000 -0.373 0.000 1.314 565 I HN 0.133 nan 8.210 nan 0.000 0.445 566 I N 3.750 124.183 120.570 -0.229 0.000 4.770 566 I HA 0.023 4.190 4.170 -0.006 0.000 0.327 566 I C 1.191 177.228 176.117 -0.133 0.000 1.271 566 I CA -0.232 60.949 61.300 -0.197 0.000 1.320 566 I CB 0.114 38.017 38.000 -0.163 0.000 1.319 566 I HN 0.542 nan 8.210 nan 0.000 0.462 567 K N 3.470 123.800 120.400 -0.117 0.000 2.351 567 K HA 0.006 4.323 4.320 -0.006 0.000 0.255 567 K C -1.337 175.216 176.600 -0.079 0.000 1.108 567 K CA -0.379 55.858 56.287 -0.084 0.000 0.813 567 K CB -1.495 30.957 32.500 -0.080 0.000 1.073 567 K HN -0.191 nan 8.250 nan 0.000 0.511 568 P HA -0.287 nan 4.420 nan 0.000 0.223 568 P C -0.516 176.761 177.300 -0.038 0.000 1.158 568 P CA 1.883 64.957 63.100 -0.043 0.000 0.830 568 P CB -0.091 31.586 31.700 -0.038 0.000 0.734 569 K N -1.750 118.617 120.400 -0.055 0.000 2.633 569 K HA 0.222 4.538 4.320 -0.006 0.000 0.268 569 K C -3.264 173.291 176.600 -0.074 0.000 1.005 569 K CA -1.254 55.015 56.287 -0.031 0.000 0.976 569 K CB 1.442 33.932 32.500 -0.017 0.000 1.372 569 K HN -0.301 nan 8.250 nan 0.000 0.420 570 P HA 0.227 nan 4.420 nan 0.000 0.283 570 P C -0.974 176.215 177.300 -0.184 0.000 1.412 570 P CA -0.506 62.472 63.100 -0.203 0.000 0.912 570 P CB 0.515 32.081 31.700 -0.224 0.000 1.132 571 L N 3.777 124.860 121.223 -0.234 0.000 2.365 571 L HA 0.565 4.902 4.340 -0.006 0.000 0.267 571 L C 0.539 177.371 176.870 -0.064 0.000 1.033 571 L CA -0.381 54.463 54.840 0.006 0.000 0.802 571 L CB 0.497 42.416 42.059 -0.233 0.000 1.267 571 L HN 0.393 nan 8.230 nan 0.000 0.457 572 W N -0.739 120.581 121.300 0.034 0.000 2.894 572 W HA 0.592 5.249 4.660 -0.005 0.000 0.345 572 W C -0.210 176.491 176.519 0.305 0.000 1.152 572 W CA -0.694 56.714 57.345 0.105 0.000 1.089 572 W CB 1.966 31.477 29.460 0.085 0.000 1.454 572 W HN 0.456 nan 8.180 nan 0.000 0.589 573 S N -0.441 115.557 115.700 0.498 0.000 2.578 573 S HA 0.507 4.974 4.470 -0.006 0.000 0.301 573 S C 0.763 175.450 174.600 0.143 0.000 1.091 573 S CA 0.146 58.563 58.200 0.361 0.000 1.032 573 S CB 1.583 64.937 63.200 0.257 0.000 1.064 573 S HN 0.636 nan 8.310 nan 0.000 0.508 574 G N 2.673 111.450 108.800 -0.038 0.000 2.545 574 G HA2 -0.227 3.730 3.960 -0.006 0.000 0.217 574 G HA3 -0.227 3.730 3.960 -0.006 0.000 0.217 574 G C 1.242 176.072 174.900 -0.116 0.000 1.218 574 G CA 1.102 46.090 45.100 -0.187 0.000 0.787 574 G HN 0.861 nan 8.290 nan 0.000 0.571 575 K N 0.077 120.419 120.400 -0.097 0.000 2.049 575 K HA -0.280 4.037 4.320 -0.006 0.000 0.219 575 K C 2.509 179.100 176.600 -0.014 0.000 1.056 575 K CA 1.703 57.953 56.287 -0.062 0.000 0.946 575 K CB -0.554 31.925 32.500 -0.035 0.000 0.723 575 K HN 0.349 nan 8.250 nan 0.000 0.453 576 Q N 0.304 120.134 119.800 0.050 0.000 2.045 576 Q HA -0.261 4.075 4.340 -0.006 0.000 0.215 576 Q C 2.373 178.423 176.000 0.084 0.000 1.026 576 Q CA 2.719 58.588 55.803 0.111 0.000 0.885 576 Q CB -0.563 28.320 28.738 0.241 0.000 0.984 576 Q HN 0.536 nan 8.270 nan 0.000 0.414 577 I N -1.457 119.139 120.570 0.043 0.000 2.277 577 I HA -0.169 3.998 4.170 -0.006 0.000 0.243 577 I C 2.277 178.374 176.117 -0.033 0.000 1.094 577 I CA 0.703 61.995 61.300 -0.014 0.000 1.393 577 I CB -0.920 37.031 38.000 -0.081 0.000 1.078 577 I HN 0.088 nan 8.210 nan 0.000 0.417 578 L N 1.575 122.764 121.223 -0.057 0.000 2.123 578 L HA -0.293 4.044 4.340 -0.006 0.000 0.217 578 L C 2.445 179.289 176.870 -0.042 0.000 1.081 578 L CA 2.106 56.907 54.840 -0.066 0.000 0.772 578 L CB -1.318 40.685 42.059 -0.094 0.000 0.890 578 L HN 0.399 nan 8.230 nan 0.000 0.437 579 S N -1.074 114.610 115.700 -0.025 0.000 2.387 579 S HA -0.202 4.264 4.470 -0.006 0.000 0.230 579 S C 2.005 176.609 174.600 0.008 0.000 1.035 579 S CA 1.429 59.621 58.200 -0.013 0.000 1.014 579 S CB -0.740 62.466 63.200 0.009 0.000 0.836 579 S HN 0.432 nan 8.310 nan 0.000 0.466 580 V N 2.009 121.939 119.914 0.028 0.000 2.392 580 V HA -0.238 3.878 4.120 -0.006 0.000 0.249 580 V C 2.667 178.795 176.094 0.057 0.000 1.059 580 V CA 1.666 64.009 62.300 0.071 0.000 1.051 580 V CB -1.309 30.555 31.823 0.068 0.000 0.658 580 V HN 0.579 nan 8.190 nan 0.000 0.455 581 A N -0.268 122.561 122.820 0.015 0.000 1.933 581 A HA -0.042 4.275 4.320 -0.006 0.000 0.218 581 A C 1.222 178.799 177.584 -0.012 0.000 1.175 581 A CA 0.925 52.964 52.037 0.003 0.000 0.628 581 A CB -0.407 18.578 19.000 -0.025 0.000 0.814 581 A HN 0.387 nan 8.150 nan 0.000 0.444 582 I N 1.922 122.476 120.570 -0.027 0.000 2.517 582 I HA 0.127 4.293 4.170 -0.006 0.000 0.285 582 I C -1.715 174.382 176.117 -0.033 0.000 1.106 582 I CA -2.577 58.695 61.300 -0.047 0.000 1.402 582 I CB -0.053 37.906 38.000 -0.068 0.000 1.399 582 I HN 0.164 nan 8.210 nan 0.000 0.535 583 P HA 0.026 nan 4.420 nan 0.000 0.286 583 P C -0.741 176.531 177.300 -0.046 0.000 1.278 583 P CA -0.230 62.853 63.100 -0.029 0.000 0.785 583 P CB 0.622 32.304 31.700 -0.030 0.000 1.269 584 N N -1.359 117.318 118.700 -0.039 0.000 2.314 584 N HA 0.435 5.172 4.740 -0.006 0.000 0.294 584 N C 0.619 176.102 175.510 -0.046 0.000 1.029 584 N CA -0.170 52.849 53.050 -0.052 0.000 0.845 584 N CB 1.629 40.101 38.487 -0.025 0.000 1.321 584 N HN 0.804 nan 8.380 nan 0.000 0.481 585 G N 0.933 109.681 108.800 -0.087 0.000 2.159 585 G HA2 -0.169 3.787 3.960 -0.006 0.000 0.170 585 G HA3 -0.169 3.787 3.960 -0.006 0.000 0.170 585 G C -0.540 174.291 174.900 -0.115 0.000 1.007 585 G CA -0.514 44.589 45.100 0.006 0.000 0.672 585 G HN 0.457 nan 8.290 nan 0.000 0.507 586 I N 2.957 123.322 120.570 -0.342 0.000 2.307 586 I HA 0.414 4.580 4.170 -0.006 0.000 0.289 586 I C -0.064 175.702 176.117 -0.585 0.000 1.021 586 I CA -0.974 60.137 61.300 -0.316 0.000 1.224 586 I CB 0.450 38.345 38.000 -0.176 0.000 1.376 586 I HN 0.112 nan 8.210 nan 0.000 0.470 587 H N 6.647 125.701 119.070 -0.027 0.000 2.466 587 H HA 0.589 5.142 4.556 -0.006 0.000 0.338 587 H C -1.021 174.282 175.328 -0.043 0.000 1.091 587 H CA -0.837 55.188 56.048 -0.037 0.000 1.207 587 H CB 3.067 32.816 29.762 -0.022 0.000 1.466 587 H HN 0.290 nan 8.280 nan 0.000 0.493 588 L N 2.564 123.788 121.223 0.002 0.000 2.505 588 L HA 0.270 4.607 4.340 -0.006 0.000 0.266 588 L C -0.955 175.880 176.870 -0.058 0.000 0.954 588 L CA -0.266 54.559 54.840 -0.025 0.000 0.852 588 L CB 2.241 44.263 42.059 -0.061 0.000 1.282 588 L HN 0.627 nan 8.230 nan 0.000 0.403 589 Q N 3.446 123.238 119.800 -0.013 0.000 2.337 589 Q HA 0.496 4.832 4.340 -0.006 0.000 0.270 589 Q C -0.358 175.668 176.000 0.043 0.000 1.043 589 Q CA -0.405 55.398 55.803 0.000 0.000 0.794 589 Q CB 2.940 31.744 28.738 0.111 0.000 1.281 589 Q HN 0.772 nan 8.270 nan 0.000 0.446 590 R N 2.461 122.962 120.500 0.002 0.000 2.081 590 R HA 0.332 4.668 4.340 -0.006 0.000 0.158 590 R C -0.826 175.602 176.300 0.214 0.000 1.886 590 R CA 0.252 56.391 56.100 0.065 0.000 1.479 590 R CB 0.634 30.941 30.300 0.012 0.000 1.254 590 R HN 0.627 nan 8.270 nan 0.000 0.475 591 F N 2.013 122.022 119.950 0.099 0.000 2.152 591 F HA -0.197 4.327 4.527 -0.006 0.000 0.503 591 F C -0.856 174.968 175.800 0.040 0.000 1.268 591 F CA 0.303 58.348 58.000 0.076 0.000 1.619 591 F CB -0.338 38.699 39.000 0.062 0.000 2.580 591 F HN 0.429 nan 8.300 nan 0.000 0.727 592 D N 2.134 122.649 120.400 0.191 0.000 2.668 592 D HA 0.244 4.881 4.640 -0.006 0.000 0.249 592 D C 1.194 177.551 176.300 0.096 0.000 1.150 592 D CA -0.447 53.620 54.000 0.111 0.000 1.090 592 D CB 0.238 41.076 40.800 0.063 0.000 1.244 592 D HN 0.556 nan 8.370 nan 0.000 0.636 593 E N 0.326 120.558 120.200 0.053 0.000 1.998 593 E HA -0.172 4.175 4.350 -0.006 0.000 0.221 593 E C 1.207 177.830 176.600 0.040 0.000 1.018 593 E CA 1.485 57.907 56.400 0.037 0.000 0.891 593 E CB -0.504 29.206 29.700 0.017 0.000 0.807 593 E HN 0.482 nan 8.360 nan 0.000 0.523 594 G N 0.709 109.523 108.800 0.023 0.000 3.392 594 G HA2 0.035 3.991 3.960 -0.006 0.000 0.247 594 G HA3 0.035 3.991 3.960 -0.006 0.000 0.247 594 G C -0.548 174.363 174.900 0.018 0.000 1.161 594 G CA 0.012 45.121 45.100 0.015 0.000 1.739 594 G HN 0.060 nan 8.290 nan 0.000 0.619 595 T N 0.818 115.416 114.554 0.074 0.000 2.829 595 T HA 0.524 4.871 4.350 -0.006 0.000 0.282 595 T C 0.369 175.193 174.700 0.206 0.000 0.990 595 T CA -0.199 61.968 62.100 0.112 0.000 1.028 595 T CB 1.463 70.453 68.868 0.202 0.000 0.951 595 T HN 0.212 nan 8.240 nan 0.000 0.460 596 T N 0.824 115.421 114.554 0.072 0.000 4.205 596 T HA 0.222 4.569 4.350 -0.006 0.000 0.219 596 T C 0.506 175.194 174.700 -0.020 0.000 0.975 596 T CA -0.804 61.352 62.100 0.092 0.000 1.484 596 T CB -0.907 67.971 68.868 0.016 0.000 0.805 596 T HN 0.545 nan 8.240 nan 0.000 0.616 597 L N 0.318 121.511 121.223 -0.051 0.000 4.130 597 L HA -0.211 4.125 4.340 -0.006 0.000 0.472 597 L C 0.915 177.694 176.870 -0.153 0.000 1.067 597 L CA 0.849 55.666 54.840 -0.039 0.000 0.946 597 L CB -1.303 40.858 42.059 0.170 0.000 1.844 597 L HN 0.620 nan 8.230 nan 0.000 1.041 598 L N -2.061 118.968 121.223 -0.324 0.000 4.114 598 L HA 0.083 4.419 4.340 -0.006 0.000 0.398 598 L C 1.068 177.764 176.870 -0.290 0.000 1.159 598 L CA 0.568 55.277 54.840 -0.218 0.000 1.399 598 L CB 0.516 42.518 42.059 -0.095 0.000 1.605 598 L HN 0.304 nan 8.230 nan 0.000 0.629 599 S N 2.320 117.738 115.700 -0.471 0.000 3.234 599 S HA -0.118 4.348 4.470 -0.006 0.000 0.292 599 S C -1.461 173.009 174.600 -0.217 0.000 0.714 599 S CA 0.388 58.340 58.200 -0.413 0.000 1.311 599 S CB -0.931 61.869 63.200 -0.666 0.000 0.790 599 S HN 0.427 nan 8.310 nan 0.000 0.398 600 P HA -0.070 nan 4.420 nan 0.000 0.238 600 P C 0.473 177.729 177.300 -0.072 0.000 1.175 600 P CA 0.883 63.930 63.100 -0.089 0.000 0.757 600 P CB 0.048 31.712 31.700 -0.059 0.000 0.839 601 K N -0.562 119.786 120.400 -0.087 0.000 2.374 601 K HA 0.055 4.371 4.320 -0.006 0.000 0.202 601 K C 0.121 176.683 176.600 -0.063 0.000 1.040 601 K CA -0.192 56.059 56.287 -0.060 0.000 1.085 601 K CB 0.064 32.535 32.500 -0.047 0.000 0.873 601 K HN -0.195 nan 8.250 nan 0.000 0.539 602 D N 1.501 121.848 120.400 -0.089 0.000 2.737 602 D HA -0.187 4.450 4.640 -0.006 0.000 0.238 602 D C -1.006 175.270 176.300 -0.040 0.000 1.157 602 D CA 0.568 54.530 54.000 -0.063 0.000 0.694 602 D CB -1.042 39.737 40.800 -0.036 0.000 1.021 602 D HN 0.174 nan 8.370 nan 0.000 0.420 603 N N -0.140 118.507 118.700 -0.087 0.000 2.447 603 N HA 0.697 5.433 4.740 -0.006 0.000 0.271 603 N C 1.162 176.681 175.510 0.015 0.000 1.226 603 N CA 0.505 53.526 53.050 -0.047 0.000 0.980 603 N CB 0.572 39.017 38.487 -0.069 0.000 1.206 603 N HN 0.431 nan 8.380 nan 0.000 0.558 604 G N -0.052 108.766 108.800 0.030 0.000 2.586 604 G HA2 -0.248 3.709 3.960 -0.006 0.000 0.308 604 G HA3 -0.248 3.709 3.960 -0.006 0.000 0.308 604 G C -0.397 174.564 174.900 0.102 0.000 1.317 604 G CA 0.579 45.711 45.100 0.052 0.000 0.922 604 G HN 0.600 nan 8.290 nan 0.000 0.551 605 M N -1.180 118.436 119.600 0.027 0.000 2.386 605 M HA 0.763 5.239 4.480 -0.006 0.000 0.293 605 M C -1.535 174.558 176.300 -0.345 0.000 1.120 605 M CA -0.840 54.401 55.300 -0.097 0.000 0.909 605 M CB 1.907 34.457 32.600 -0.084 0.000 1.661 605 M HN 0.981 nan 8.290 nan 0.000 0.452 606 L N 6.278 127.095 121.223 -0.677 0.000 2.404 606 L HA 0.743 5.079 4.340 -0.006 0.000 0.272 606 L C -1.974 174.588 176.870 -0.512 0.000 0.980 606 L CA -0.107 54.214 54.840 -0.865 0.000 0.836 606 L CB 1.423 42.304 42.059 -1.965 0.000 1.238 606 L HN 0.797 nan 8.230 nan 0.000 0.408 607 I N 6.562 126.955 120.570 -0.296 0.000 2.529 607 I HA 0.428 4.594 4.170 -0.006 0.000 0.284 607 I C -1.080 174.947 176.117 -0.150 0.000 1.088 607 I CA -0.425 60.752 61.300 -0.205 0.000 1.062 607 I CB 1.734 39.631 38.000 -0.171 0.000 1.218 607 I HN 0.387 nan 8.210 nan 0.000 0.442 608 I N 4.607 125.099 120.570 -0.131 0.000 2.382 608 I HA 0.453 4.619 4.170 -0.006 0.000 0.286 608 I C -0.456 175.559 176.117 -0.170 0.000 1.002 608 I CA -0.537 60.711 61.300 -0.087 0.000 1.135 608 I CB 1.023 39.045 38.000 0.036 0.000 1.288 608 I HN 0.577 nan 8.210 nan 0.000 0.448 609 D N 4.810 124.945 120.400 -0.441 0.000 9.066 609 D HA -0.128 4.508 4.640 -0.006 0.000 0.283 609 D C 1.169 177.350 176.300 -0.199 0.000 2.521 609 D CA 1.423 55.241 54.000 -0.304 0.000 2.314 609 D CB 0.209 40.962 40.800 -0.078 0.000 0.974 609 D HN 1.088 nan 8.370 nan 0.000 0.694 610 G N 3.759 112.451 108.800 -0.180 0.000 1.912 610 G HA2 -0.116 3.840 3.960 -0.006 0.000 0.243 610 G HA3 -0.116 3.840 3.960 -0.006 0.000 0.243 610 G C 0.021 174.875 174.900 -0.077 0.000 0.677 610 G CA 0.814 45.846 45.100 -0.113 0.000 0.900 610 G HN 0.404 nan 8.290 nan 0.000 0.397 611 Q N -0.613 119.129 119.800 -0.096 0.000 2.268 611 Q HA 0.291 4.627 4.340 -0.006 0.000 0.266 611 Q C -0.322 175.621 176.000 -0.094 0.000 1.006 611 Q CA -0.748 55.015 55.803 -0.066 0.000 0.824 611 Q CB 2.325 31.037 28.738 -0.044 0.000 1.306 611 Q HN 0.517 nan 8.270 nan 0.000 0.424 612 I N 2.800 123.321 120.570 -0.082 0.000 2.325 612 I HA 0.204 4.370 4.170 -0.006 0.000 0.291 612 I C 0.103 176.155 176.117 -0.109 0.000 1.019 612 I CA -0.345 60.886 61.300 -0.115 0.000 1.302 612 I CB 0.429 38.371 38.000 -0.096 0.000 1.401 612 I HN 0.531 nan 8.210 nan 0.000 0.485 613 I N 7.710 128.163 120.570 -0.196 0.000 2.867 613 I HA 0.216 4.383 4.170 -0.006 0.000 0.265 613 I C 0.272 176.348 176.117 -0.069 0.000 1.162 613 I CA 0.872 62.070 61.300 -0.170 0.000 1.471 613 I CB -1.311 36.536 38.000 -0.255 0.000 1.123 613 I HN 0.708 nan 8.210 nan 0.000 0.440 614 F N -0.708 119.204 119.950 -0.062 0.000 2.769 614 F HA 0.640 5.164 4.527 -0.006 0.000 0.313 614 F C -0.436 175.308 175.800 -0.092 0.000 1.146 614 F CA -1.376 56.581 58.000 -0.071 0.000 0.934 614 F CB 0.385 39.341 39.000 -0.073 0.000 1.283 614 F HN 0.110 nan 8.300 nan 0.000 0.443 615 G N 1.324 110.345 108.800 0.367 0.000 3.355 615 G HA2 0.315 4.272 3.960 -0.006 0.000 0.686 615 G HA3 0.315 4.272 3.960 -0.006 0.000 0.686 615 G C -1.201 173.733 174.900 0.057 0.000 1.097 615 G CA -0.637 44.598 45.100 0.224 0.000 0.881 615 G HN 1.369 nan 8.290 nan 0.000 0.550 616 V N 2.076 121.997 119.914 0.011 0.000 2.901 616 V HA 0.255 4.371 4.120 -0.006 0.000 0.307 616 V C 1.310 177.382 176.094 -0.037 0.000 1.084 616 V CA -0.131 62.148 62.300 -0.034 0.000 1.184 616 V CB 1.508 33.304 31.823 -0.044 0.000 0.941 616 V HN 0.868 nan 8.190 nan 0.000 0.493 617 V N 5.165 125.041 119.914 -0.062 0.000 2.364 617 V HA 0.500 4.617 4.120 -0.006 0.000 0.272 617 V C 0.086 176.148 176.094 -0.054 0.000 1.036 617 V CA -0.176 62.088 62.300 -0.059 0.000 0.880 617 V CB 1.000 32.777 31.823 -0.077 0.000 0.991 617 V HN 1.173 nan 8.190 nan 0.000 0.460 618 E N 3.682 123.861 120.200 -0.034 0.000 2.359 618 E HA 0.412 4.758 4.350 -0.006 0.000 0.223 618 E C 0.898 177.492 176.600 -0.009 0.000 0.877 618 E CA -0.776 55.609 56.400 -0.025 0.000 0.887 618 E CB 0.517 30.204 29.700 -0.021 0.000 1.890 618 E HN 0.071 nan 8.360 nan 0.000 0.419 619 K N 0.315 120.716 120.400 0.002 0.000 2.032 619 K HA -0.112 4.205 4.320 -0.006 0.000 0.209 619 K C 1.645 178.255 176.600 0.018 0.000 1.048 619 K CA 1.893 58.189 56.287 0.014 0.000 0.927 619 K CB -0.180 32.332 32.500 0.020 0.000 0.712 619 K HN 0.373 nan 8.250 nan 0.000 0.441 620 K N -0.425 119.985 120.400 0.016 0.000 2.228 620 K HA -0.149 4.168 4.320 -0.006 0.000 0.205 620 K C 1.871 178.480 176.600 0.015 0.000 1.045 620 K CA 1.996 58.295 56.287 0.019 0.000 0.931 620 K CB -0.114 32.398 32.500 0.020 0.000 0.727 620 K HN 0.353 nan 8.250 nan 0.000 0.458 621 T N -0.747 113.810 114.554 0.004 0.000 2.983 621 T HA -0.007 4.339 4.350 -0.006 0.000 0.250 621 T C 1.589 176.283 174.700 -0.010 0.000 1.037 621 T CA 0.673 62.768 62.100 -0.008 0.000 1.142 621 T CB 0.391 69.243 68.868 -0.026 0.000 0.876 621 T HN 0.098 nan 8.240 nan 0.000 0.455 622 V N 1.159 121.071 119.914 -0.003 0.000 3.199 622 V HA 0.560 4.677 4.120 -0.006 0.000 0.331 622 V C 0.877 176.994 176.094 0.038 0.000 1.446 622 V CA -0.015 62.284 62.300 -0.002 0.000 1.120 622 V CB -0.238 31.572 31.823 -0.022 0.000 1.051 622 V HN 0.460 nan 8.190 nan 0.000 0.495 623 G N 0.978 109.802 108.800 0.040 0.000 2.514 623 G HA2 0.219 4.175 3.960 -0.006 0.000 0.245 623 G HA3 0.219 4.175 3.960 -0.006 0.000 0.245 623 G C 0.732 175.678 174.900 0.075 0.000 1.488 623 G CA 0.490 45.623 45.100 0.055 0.000 1.063 623 G HN 0.968 nan 8.290 nan 0.000 0.557 624 S N -0.665 115.075 115.700 0.066 0.000 2.537 624 S HA 0.341 4.807 4.470 -0.006 0.000 0.246 624 S C 0.878 175.515 174.600 0.062 0.000 1.036 624 S CA 0.216 58.457 58.200 0.067 0.000 1.041 624 S CB -0.536 62.688 63.200 0.039 0.000 0.799 624 S HN 0.723 nan 8.310 nan 0.000 0.456 625 S N 1.826 117.566 115.700 0.066 0.000 2.650 625 S HA 0.183 4.650 4.470 -0.006 0.000 0.251 625 S C 1.051 175.715 174.600 0.106 0.000 1.325 625 S CA -0.389 57.853 58.200 0.069 0.000 0.967 625 S CB 0.113 63.345 63.200 0.053 0.000 1.000 625 S HN 0.474 nan 8.310 nan 0.000 0.584 626 N N 0.479 119.238 118.700 0.097 0.000 2.420 626 N HA 0.045 4.781 4.740 -0.006 0.000 0.185 626 N C 1.681 177.205 175.510 0.023 0.000 1.033 626 N CA 1.005 54.124 53.050 0.114 0.000 0.879 626 N CB -0.699 37.836 38.487 0.080 0.000 1.071 626 N HN 0.744 nan 8.380 nan 0.000 0.437 627 G N 0.250 109.053 108.800 0.005 0.000 3.026 627 G HA2 0.153 4.110 3.960 -0.006 0.000 0.208 627 G HA3 0.153 4.110 3.960 -0.006 0.000 0.208 627 G C 0.678 175.584 174.900 0.010 0.000 1.169 627 G CA 0.165 45.250 45.100 -0.024 0.000 0.788 627 G HN 0.384 nan 8.290 nan 0.000 0.533 628 G N -0.303 108.527 108.800 0.051 0.000 2.568 628 G HA2 0.068 4.025 3.960 -0.006 0.000 0.231 628 G HA3 0.068 4.025 3.960 -0.006 0.000 0.231 628 G C 1.062 175.985 174.900 0.039 0.000 1.261 628 G CA -0.547 44.584 45.100 0.051 0.000 0.855 628 G HN 0.216 nan 8.290 nan 0.000 0.576 629 L N 1.122 122.343 121.223 -0.004 0.000 2.187 629 L HA -0.152 4.185 4.340 -0.006 0.000 0.213 629 L C 2.371 179.212 176.870 -0.048 0.000 1.100 629 L CA 1.110 55.926 54.840 -0.039 0.000 0.765 629 L CB -0.153 41.863 42.059 -0.072 0.000 0.904 629 L HN 0.599 nan 8.230 nan 0.000 0.437 630 I N -1.889 118.661 120.570 -0.034 0.000 2.339 630 I HA -0.209 3.958 4.170 -0.006 0.000 0.245 630 I C 2.545 178.677 176.117 0.024 0.000 1.096 630 I CA 0.999 62.261 61.300 -0.062 0.000 1.408 630 I CB -1.255 36.722 38.000 -0.038 0.000 1.092 630 I HN 0.163 nan 8.210 nan 0.000 0.423 631 H N 1.547 120.610 119.070 -0.012 0.000 2.319 631 H HA -0.132 4.421 4.556 -0.005 0.000 0.297 631 H C 2.225 177.552 175.328 -0.002 0.000 1.097 631 H CA 2.071 58.120 56.048 0.002 0.000 1.285 631 H CB -0.062 29.706 29.762 0.011 0.000 1.368 631 H HN 0.117 nan 8.280 nan 0.000 0.495 632 V N 0.132 120.150 119.914 0.173 0.000 2.214 632 V HA -0.248 3.869 4.120 -0.006 0.000 0.244 632 V C 2.946 179.075 176.094 0.057 0.000 1.045 632 V CA 1.720 64.076 62.300 0.094 0.000 0.993 632 V CB -0.999 30.846 31.823 0.037 0.000 0.633 632 V HN 0.236 nan 8.190 nan 0.000 0.449 633 V N 0.014 119.932 119.914 0.007 0.000 2.527 633 V HA -0.328 3.789 4.120 -0.006 0.000 0.255 633 V C 2.525 178.614 176.094 -0.009 0.000 1.081 633 V CA 2.637 64.923 62.300 -0.023 0.000 1.092 633 V CB -0.997 30.779 31.823 -0.078 0.000 0.673 633 V HN 0.691 nan 8.190 nan 0.000 0.470 634 T N -1.011 113.545 114.554 0.002 0.000 2.770 634 T HA -0.112 4.235 4.350 -0.006 0.000 0.263 634 T C 2.103 176.821 174.700 0.031 0.000 1.039 634 T CA 1.035 63.138 62.100 0.005 0.000 1.142 634 T CB -0.152 68.704 68.868 -0.021 0.000 0.868 634 T HN 0.304 nan 8.240 nan 0.000 0.435 635 R N 0.394 120.933 120.500 0.066 0.000 2.161 635 R HA 0.155 4.492 4.340 -0.006 0.000 0.213 635 R C 2.246 178.585 176.300 0.064 0.000 1.055 635 R CA 0.691 56.841 56.100 0.083 0.000 0.996 635 R CB -0.082 30.302 30.300 0.140 0.000 0.901 635 R HN 0.406 nan 8.270 nan 0.000 0.456 636 E N 0.984 121.219 120.200 0.059 0.000 2.012 636 E HA -0.065 4.282 4.350 -0.006 0.000 0.192 636 E C 1.719 178.345 176.600 0.043 0.000 0.977 636 E CA 1.148 57.581 56.400 0.054 0.000 0.832 636 E CB 0.181 29.916 29.700 0.059 0.000 0.790 636 E HN -0.104 nan 8.360 nan 0.000 0.466 637 K N -0.330 120.088 120.400 0.030 0.000 2.148 637 K HA 0.127 4.443 4.320 -0.006 0.000 0.204 637 K C 0.703 177.316 176.600 0.021 0.000 1.050 637 K CA 1.032 57.332 56.287 0.022 0.000 0.942 637 K CB 0.199 32.703 32.500 0.007 0.000 0.724 637 K HN 0.322 nan 8.250 nan 0.000 0.446 638 G N 0.079 108.892 108.800 0.020 0.000 2.351 638 G HA2 -0.064 3.893 3.960 -0.006 0.000 0.353 638 G HA3 -0.064 3.893 3.960 -0.006 0.000 0.353 638 G C -2.650 172.261 174.900 0.019 0.000 1.358 638 G CA -0.450 44.663 45.100 0.022 0.000 0.995 638 G HN -0.204 nan 8.290 nan 0.000 0.611 639 P HA -0.062 nan 4.420 nan 0.000 0.215 639 P C 1.507 178.827 177.300 0.032 0.000 1.160 639 P CA 1.361 64.474 63.100 0.022 0.000 0.869 639 P CB 0.165 31.874 31.700 0.014 0.000 0.782 640 Q N -0.006 119.812 119.800 0.029 0.000 2.062 640 Q HA -0.123 4.213 4.340 -0.006 0.000 0.209 640 Q C 2.378 178.400 176.000 0.037 0.000 0.996 640 Q CA 1.910 57.734 55.803 0.035 0.000 0.859 640 Q CB -1.030 27.725 28.738 0.028 0.000 0.920 640 Q HN 0.080 nan 8.270 nan 0.000 0.415 641 V N 0.525 120.453 119.914 0.024 0.000 2.282 641 V HA -0.358 3.758 4.120 -0.006 0.000 0.249 641 V C 2.452 178.546 176.094 0.000 0.000 1.057 641 V CA 1.813 64.121 62.300 0.014 0.000 1.032 641 V CB -0.881 30.944 31.823 0.004 0.000 0.645 641 V HN 0.576 nan 8.190 nan 0.000 0.447 642 C N -0.030 119.266 119.300 -0.006 0.000 2.413 642 C HA -0.122 4.334 4.460 -0.006 0.000 0.276 642 C C 3.097 178.094 174.990 0.011 0.000 1.236 642 C CA 0.810 59.796 59.018 -0.052 0.000 1.735 642 C CB -1.333 26.390 27.740 -0.028 0.000 2.031 642 C HN 0.627 nan 8.230 nan 0.000 0.474 643 A N 0.217 123.107 122.820 0.117 0.000 1.859 643 A HA -0.314 4.003 4.320 -0.006 0.000 0.218 643 A C 2.217 179.912 177.584 0.186 0.000 1.242 643 A CA 2.341 54.506 52.037 0.212 0.000 0.661 643 A CB -1.069 18.007 19.000 0.128 0.000 0.842 643 A HN 0.715 nan 8.150 nan 0.000 0.455 644 K N -0.900 119.562 120.400 0.103 0.000 2.362 644 K HA -0.154 4.163 4.320 -0.006 0.000 0.202 644 K C 1.742 178.378 176.600 0.060 0.000 1.045 644 K CA 1.168 57.508 56.287 0.088 0.000 0.936 644 K CB -0.328 32.210 32.500 0.063 0.000 0.747 644 K HN 0.439 nan 8.250 nan 0.000 0.467 645 L N 0.076 121.297 121.223 -0.004 0.000 2.093 645 L HA -0.096 4.240 4.340 -0.006 0.000 0.208 645 L C 1.533 178.330 176.870 -0.122 0.000 1.085 645 L CA 1.611 56.388 54.840 -0.105 0.000 0.755 645 L CB -0.490 41.436 42.059 -0.223 0.000 0.904 645 L HN 0.067 nan 8.230 nan 0.000 0.435 646 F N 0.177 120.133 119.950 0.009 0.000 2.134 646 F HA -0.086 4.438 4.527 -0.005 0.000 0.299 646 F C 2.489 178.292 175.800 0.005 0.000 1.097 646 F CA 1.490 59.494 58.000 0.006 0.000 1.264 646 F CB -1.165 37.842 39.000 0.012 0.000 1.001 646 F HN 0.227 nan 8.300 nan 0.000 0.479 647 G N 0.309 109.235 108.800 0.210 0.000 2.529 647 G HA2 -0.331 3.626 3.960 -0.006 0.000 0.219 647 G HA3 -0.331 3.626 3.960 -0.006 0.000 0.219 647 G C 1.456 176.397 174.900 0.068 0.000 1.177 647 G CA 1.510 46.684 45.100 0.123 0.000 0.773 647 G HN 0.291 nan 8.290 nan 0.000 0.573 648 N N 0.893 119.625 118.700 0.052 0.000 2.171 648 N HA -0.024 4.713 4.740 -0.006 0.000 0.184 648 N C 2.219 177.725 175.510 -0.007 0.000 1.021 648 N CA 0.973 54.038 53.050 0.025 0.000 0.854 648 N CB -0.462 38.045 38.487 0.034 0.000 0.994 648 N HN 0.430 nan 8.380 nan 0.000 0.426 649 I N 1.015 121.579 120.570 -0.010 0.000 2.264 649 I HA -0.307 3.860 4.170 -0.006 0.000 0.248 649 I C 2.235 178.347 176.117 -0.009 0.000 1.111 649 I CA 1.244 62.530 61.300 -0.022 0.000 1.382 649 I CB -0.374 37.606 38.000 -0.033 0.000 1.060 649 I HN 0.152 nan 8.210 nan 0.000 0.418 650 Q N 1.154 120.964 119.800 0.017 0.000 1.941 650 Q HA -0.202 4.134 4.340 -0.006 0.000 0.201 650 Q C 2.278 178.229 176.000 -0.081 0.000 0.982 650 Q CA 1.600 57.401 55.803 -0.002 0.000 0.839 650 Q CB -0.144 28.608 28.738 0.025 0.000 0.904 650 Q HN 0.340 nan 8.270 nan 0.000 0.427 651 K N -0.155 120.170 120.400 -0.125 0.000 2.127 651 K HA -0.245 4.072 4.320 -0.006 0.000 0.212 651 K C 2.020 178.372 176.600 -0.414 0.000 1.050 651 K CA 1.994 58.087 56.287 -0.324 0.000 0.929 651 K CB -0.305 32.056 32.500 -0.231 0.000 0.715 651 K HN 0.104 nan 8.250 nan 0.000 0.457 652 V N 0.231 120.018 119.914 -0.211 0.000 2.302 652 V HA -0.183 3.934 4.120 -0.006 0.000 0.243 652 V C 2.280 178.385 176.094 0.019 0.000 1.036 652 V CA 1.521 63.735 62.300 -0.143 0.000 1.020 652 V CB -0.644 31.129 31.823 -0.082 0.000 0.657 652 V HN 0.049 nan 8.190 nan 0.000 0.453 653 V N 0.550 120.478 119.914 0.025 0.000 2.332 653 V HA -0.252 3.864 4.120 -0.006 0.000 0.248 653 V C 2.432 178.619 176.094 0.155 0.000 1.055 653 V CA 2.215 64.583 62.300 0.113 0.000 1.038 653 V CB -1.173 30.675 31.823 0.040 0.000 0.651 653 V HN 0.500 nan 8.190 nan 0.000 0.450 654 N N -0.053 118.660 118.700 0.022 0.000 2.061 654 N HA -0.217 4.520 4.740 -0.006 0.000 0.193 654 N C 1.729 177.199 175.510 -0.067 0.000 1.030 654 N CA 2.180 55.205 53.050 -0.040 0.000 0.856 654 N CB -0.408 38.002 38.487 -0.129 0.000 1.023 654 N HN 0.600 nan 8.380 nan 0.000 0.424 655 F N 0.138 119.933 119.950 -0.258 0.000 2.014 655 F HA -0.204 4.319 4.527 -0.006 0.000 0.295 655 F C 2.393 178.142 175.800 -0.085 0.000 1.145 655 F CA 1.732 59.577 58.000 -0.259 0.000 1.178 655 F CB -0.878 37.870 39.000 -0.419 0.000 0.972 655 F HN 0.130 nan 8.300 nan 0.000 0.476 656 W N 1.271 122.788 121.300 0.362 0.000 2.244 656 W HA -0.383 4.274 4.660 -0.006 0.000 0.336 656 W C 2.203 178.760 176.519 0.063 0.000 1.352 656 W CA 2.847 60.350 57.345 0.264 0.000 1.343 656 W CB -1.156 28.378 29.460 0.123 0.000 1.111 656 W HN 0.320 nan 8.180 nan 0.000 0.481 657 L N 0.594 121.811 121.223 -0.010 0.000 1.961 657 L HA -0.163 4.174 4.340 -0.006 0.000 0.210 657 L C 2.546 179.219 176.870 -0.329 0.000 1.072 657 L CA 2.523 57.260 54.840 -0.171 0.000 0.749 657 L CB -2.033 40.082 42.059 0.094 0.000 0.889 657 L HN 0.267 nan 8.230 nan 0.000 0.432 658 L N 0.245 121.284 121.223 -0.307 0.000 2.064 658 L HA -0.366 3.970 4.340 -0.006 0.000 0.234 658 L C 2.588 179.183 176.870 -0.458 0.000 1.103 658 L CA 2.472 57.069 54.840 -0.405 0.000 0.824 658 L CB -1.848 39.858 42.059 -0.589 0.000 0.919 658 L HN 0.536 nan 8.230 nan 0.000 0.447 659 H N -0.944 117.833 119.070 -0.488 0.000 2.489 659 H HA -0.093 4.460 4.556 -0.006 0.000 0.293 659 H C 2.214 177.288 175.328 -0.423 0.000 1.066 659 H CA 1.484 57.267 56.048 -0.442 0.000 1.305 659 H CB -0.275 29.195 29.762 -0.487 0.000 1.386 659 H HN 0.678 nan 8.280 nan 0.000 0.551 660 N N -0.273 118.139 118.700 -0.481 0.000 2.278 660 N HA 0.057 4.794 4.740 -0.006 0.000 0.181 660 N C 0.372 175.749 175.510 -0.222 0.000 1.023 660 N CA 0.813 53.578 53.050 -0.474 0.000 0.862 660 N CB 0.889 38.786 38.487 -0.983 0.000 1.003 660 N HN 0.342 nan 8.380 nan 0.000 0.431 661 G N -0.475 108.221 108.800 -0.174 0.000 2.662 661 G HA2 0.009 3.966 3.960 -0.006 0.000 0.686 661 G HA3 0.009 3.966 3.960 -0.006 0.000 0.686 661 G C -1.388 173.612 174.900 0.166 0.000 1.271 661 G CA -0.282 44.804 45.100 -0.023 0.000 0.816 661 G HN 0.369 nan 8.290 nan 0.000 0.608 662 F N 0.295 120.216 119.950 -0.048 0.000 2.680 662 F HA 0.726 5.250 4.527 -0.006 0.000 0.315 662 F C -0.249 175.542 175.800 -0.015 0.000 1.099 662 F CA 0.169 58.160 58.000 -0.015 0.000 1.033 662 F CB 1.443 40.447 39.000 0.008 0.000 1.285 662 F HN 1.419 nan 8.300 nan 0.000 0.457 663 S N 1.997 117.288 115.700 -0.683 0.000 2.880 663 S HA 0.932 5.398 4.470 -0.006 0.000 0.308 663 S C -1.638 172.582 174.600 -0.633 0.000 1.195 663 S CA -0.220 57.633 58.200 -0.578 0.000 0.866 663 S CB 1.957 65.011 63.200 -0.242 0.000 1.254 663 S HN 0.761 nan 8.310 nan 0.000 0.571 664 T N 0.774 115.129 114.554 -0.332 0.000 3.105 664 T HA 0.660 5.006 4.350 -0.006 0.000 0.321 664 T C -0.264 174.366 174.700 -0.117 0.000 1.135 664 T CA -0.371 61.604 62.100 -0.208 0.000 1.053 664 T CB 1.304 70.065 68.868 -0.178 0.000 1.133 664 T HN 0.869 nan 8.240 nan 0.000 0.463 665 G N 0.576 109.333 108.800 -0.072 0.000 2.735 665 G HA2 0.621 4.577 3.960 -0.006 0.000 0.301 665 G HA3 0.621 4.577 3.960 -0.006 0.000 0.301 665 G C 0.585 175.467 174.900 -0.031 0.000 1.279 665 G CA -1.025 44.047 45.100 -0.048 0.000 1.019 665 G HN 0.649 nan 8.290 nan 0.000 0.497 666 I N 0.665 121.222 120.570 -0.021 0.000 2.761 666 I HA 0.091 4.258 4.170 -0.006 0.000 0.261 666 I C 2.810 178.925 176.117 -0.003 0.000 1.198 666 I CA 1.072 62.365 61.300 -0.011 0.000 1.482 666 I CB -0.629 37.368 38.000 -0.005 0.000 1.100 666 I HN 0.551 nan 8.210 nan 0.000 0.445 667 G N 1.381 110.178 108.800 -0.005 0.000 2.681 667 G HA2 -0.334 3.623 3.960 -0.006 0.000 0.220 667 G HA3 -0.334 3.623 3.960 -0.006 0.000 0.220 667 G C 1.283 176.189 174.900 0.009 0.000 1.210 667 G CA 1.408 46.510 45.100 0.003 0.000 0.783 667 G HN 0.373 nan 8.290 nan 0.000 0.609 668 D N 0.239 120.643 120.400 0.007 0.000 2.434 668 D HA -0.096 4.540 4.640 -0.006 0.000 0.228 668 D C 2.366 178.678 176.300 0.021 0.000 0.995 668 D CA 1.543 55.553 54.000 0.017 0.000 0.976 668 D CB -0.137 40.669 40.800 0.010 0.000 0.867 668 D HN 0.597 nan 8.370 nan 0.000 0.519 669 T N -3.556 111.009 114.554 0.017 0.000 2.964 669 T HA 0.118 4.465 4.350 -0.006 0.000 0.250 669 T C 0.989 175.703 174.700 0.023 0.000 0.982 669 T CA -0.469 61.644 62.100 0.022 0.000 0.959 669 T CB 0.672 69.552 68.868 0.021 0.000 1.141 669 T HN -0.135 nan 8.240 nan 0.000 0.494 670 I N 3.371 123.953 120.570 0.020 0.000 2.683 670 I HA 0.500 4.667 4.170 -0.006 0.000 0.286 670 I C 0.606 176.737 176.117 0.024 0.000 1.175 670 I CA -0.208 61.104 61.300 0.020 0.000 1.429 670 I CB 0.010 38.020 38.000 0.017 0.000 1.371 670 I HN 0.465 nan 8.210 nan 0.000 0.569 671 A N 5.616 128.450 122.820 0.024 0.000 2.435 671 A HA 0.398 4.715 4.320 -0.006 0.000 0.304 671 A C -0.363 177.236 177.584 0.025 0.000 1.064 671 A CA -0.741 51.312 52.037 0.028 0.000 0.727 671 A CB 0.984 20.004 19.000 0.033 0.000 1.284 671 A HN 0.661 nan 8.150 nan 0.000 0.415 672 D N 0.964 121.380 120.400 0.026 0.000 3.146 672 D HA -0.059 4.578 4.640 -0.006 0.000 0.205 672 D C 1.691 178.004 176.300 0.021 0.000 1.060 672 D CA 1.651 55.664 54.000 0.023 0.000 0.765 672 D CB 0.605 41.419 40.800 0.024 0.000 1.160 672 D HN 0.705 nan 8.370 nan 0.000 0.523 673 G N 4.447 113.259 108.800 0.019 0.000 2.513 673 G HA2 -0.207 3.750 3.960 -0.006 0.000 0.219 673 G HA3 -0.207 3.750 3.960 -0.006 0.000 0.219 673 G C -0.773 174.138 174.900 0.018 0.000 1.160 673 G CA 0.714 45.824 45.100 0.018 0.000 0.767 673 G HN 0.569 nan 8.290 nan 0.000 0.571 674 P HA 0.125 nan 4.420 nan 0.000 0.253 674 P C 0.683 177.996 177.300 0.021 0.000 1.281 674 P CA 0.862 63.974 63.100 0.019 0.000 0.792 674 P CB 0.367 32.077 31.700 0.017 0.000 1.193 675 T N -1.224 113.344 114.554 0.023 0.000 3.034 675 T HA 0.132 4.478 4.350 -0.006 0.000 0.248 675 T C 1.712 176.428 174.700 0.027 0.000 1.040 675 T CA 0.375 62.492 62.100 0.027 0.000 1.107 675 T CB -0.184 68.703 68.868 0.031 0.000 0.932 675 T HN -0.075 nan 8.240 nan 0.000 0.474 676 M N 1.286 120.901 119.600 0.024 0.000 2.296 676 M HA 0.159 4.636 4.480 -0.006 0.000 0.265 676 M C 2.133 178.447 176.300 0.023 0.000 1.064 676 M CA 1.046 56.360 55.300 0.023 0.000 1.109 676 M CB -0.919 31.693 32.600 0.020 0.000 1.396 676 M HN 0.101 nan 8.290 nan 0.000 0.430 677 R N -0.158 120.355 120.500 0.022 0.000 2.115 677 R HA -0.097 4.239 4.340 -0.006 0.000 0.226 677 R C 2.050 178.364 176.300 0.023 0.000 1.100 677 R CA 1.156 57.269 56.100 0.022 0.000 0.980 677 R CB 0.118 30.430 30.300 0.019 0.000 0.875 677 R HN 0.409 nan 8.270 nan 0.000 0.445 678 E N 0.064 120.279 120.200 0.024 0.000 2.076 678 E HA -0.099 4.248 4.350 -0.006 0.000 0.190 678 E C 1.901 178.519 176.600 0.030 0.000 0.979 678 E CA 0.855 57.270 56.400 0.025 0.000 0.807 678 E CB 0.097 29.812 29.700 0.024 0.000 0.761 678 E HN 0.303 nan 8.360 nan 0.000 0.454 679 I N 0.575 121.165 120.570 0.033 0.000 2.127 679 I HA -0.299 3.868 4.170 -0.006 0.000 0.241 679 I C 2.522 178.663 176.117 0.040 0.000 1.075 679 I CA 1.162 62.486 61.300 0.039 0.000 1.334 679 I CB -0.694 37.328 38.000 0.036 0.000 1.040 679 I HN 0.157 nan 8.210 nan 0.000 0.405 680 T N 0.889 115.464 114.554 0.035 0.000 2.529 680 T HA -0.275 4.072 4.350 -0.006 0.000 0.261 680 T C 1.819 176.544 174.700 0.042 0.000 1.110 680 T CA 2.286 64.409 62.100 0.039 0.000 1.192 680 T CB -0.465 68.423 68.868 0.033 0.000 0.864 680 T HN 0.614 nan 8.240 nan 0.000 0.407 681 E N 0.187 120.408 120.200 0.033 0.000 2.108 681 E HA -0.269 4.078 4.350 -0.006 0.000 0.203 681 E C 2.157 178.774 176.600 0.029 0.000 1.022 681 E CA 1.986 58.404 56.400 0.029 0.000 0.823 681 E CB -0.933 28.780 29.700 0.022 0.000 0.744 681 E HN 0.342 nan 8.360 nan 0.000 0.456 682 T N 0.890 115.463 114.554 0.031 0.000 2.685 682 T HA -0.167 4.179 4.350 -0.006 0.000 0.268 682 T C 1.792 176.516 174.700 0.040 0.000 1.034 682 T CA 1.654 63.772 62.100 0.030 0.000 1.149 682 T CB -0.143 68.748 68.868 0.038 0.000 0.860 682 T HN 0.200 nan 8.240 nan 0.000 0.449 683 I N 1.065 121.675 120.570 0.066 0.000 2.202 683 I HA -0.092 4.074 4.170 -0.006 0.000 0.242 683 I C 2.918 179.078 176.117 0.071 0.000 1.091 683 I CA 1.239 62.601 61.300 0.103 0.000 1.368 683 I CB -1.603 36.490 38.000 0.155 0.000 1.058 683 I HN 0.205 nan 8.210 nan 0.000 0.410 684 A N 1.359 124.215 122.820 0.060 0.000 1.940 684 A HA -0.272 4.044 4.320 -0.006 0.000 0.221 684 A C 2.236 179.832 177.584 0.019 0.000 1.190 684 A CA 2.331 54.394 52.037 0.045 0.000 0.647 684 A CB -0.816 18.207 19.000 0.038 0.000 0.821 684 A HN 0.686 nan 8.150 nan 0.000 0.457 685 E N 0.021 120.223 120.200 0.003 0.000 2.047 685 E HA -0.097 4.250 4.350 -0.006 0.000 0.191 685 E C 2.046 178.617 176.600 -0.049 0.000 0.987 685 E CA 1.286 57.671 56.400 -0.024 0.000 0.799 685 E CB -0.624 29.055 29.700 -0.036 0.000 0.752 685 E HN 0.501 nan 8.360 nan 0.000 0.449 686 A N 1.704 124.491 122.820 -0.055 0.000 2.076 686 A HA -0.152 4.165 4.320 -0.006 0.000 0.220 686 A C 2.127 179.686 177.584 -0.041 0.000 1.160 686 A CA 1.396 53.381 52.037 -0.086 0.000 0.653 686 A CB -0.354 18.600 19.000 -0.076 0.000 0.801 686 A HN 0.149 nan 8.150 nan 0.000 0.455 687 K N -0.037 120.358 120.400 -0.009 0.000 2.076 687 K HA -0.066 4.251 4.320 -0.006 0.000 0.204 687 K C 1.833 178.449 176.600 0.027 0.000 1.051 687 K CA 1.085 57.378 56.287 0.010 0.000 0.949 687 K CB -0.177 32.350 32.500 0.044 0.000 0.726 687 K HN 0.469 nan 8.250 nan 0.000 0.443 688 K N 1.373 121.783 120.400 0.017 0.000 2.009 688 K HA -0.151 4.166 4.320 -0.006 0.000 0.210 688 K C 2.122 178.742 176.600 0.033 0.000 1.049 688 K CA 1.066 57.367 56.287 0.023 0.000 0.929 688 K CB -0.195 32.310 32.500 0.008 0.000 0.714 688 K HN 0.103 nan 8.250 nan 0.000 0.440 689 K N 0.864 121.256 120.400 -0.012 0.000 2.030 689 K HA -0.225 4.092 4.320 -0.006 0.000 0.222 689 K C 2.217 178.972 176.600 0.259 0.000 1.056 689 K CA 2.266 58.544 56.287 -0.016 0.000 0.957 689 K CB -0.499 31.767 32.500 -0.390 0.000 0.727 689 K HN -0.046 nan 8.250 nan 0.000 0.452 690 V N 1.976 122.066 119.914 0.292 0.000 2.252 690 V HA -0.291 3.825 4.120 -0.006 0.000 0.249 690 V C 2.318 178.499 176.094 0.144 0.000 1.056 690 V CA 1.742 64.150 62.300 0.180 0.000 1.022 690 V CB -0.694 31.151 31.823 0.038 0.000 0.641 690 V HN 0.368 nan 8.190 nan 0.000 0.445 691 L N 1.146 122.439 121.223 0.117 0.000 1.980 691 L HA -0.285 4.052 4.340 -0.006 0.000 0.232 691 L C 2.263 179.207 176.870 0.124 0.000 1.092 691 L CA 2.597 57.503 54.840 0.110 0.000 0.808 691 L CB -1.775 40.330 42.059 0.078 0.000 0.908 691 L HN 0.399 nan 8.230 nan 0.000 0.442 692 D N -0.430 120.035 120.400 0.107 0.000 2.160 692 D HA -0.222 4.414 4.640 -0.006 0.000 0.189 692 D C 2.286 178.665 176.300 0.132 0.000 1.003 692 D CA 2.099 56.160 54.000 0.102 0.000 0.846 692 D CB -0.681 40.170 40.800 0.085 0.000 0.949 692 D HN 0.349 nan 8.370 nan 0.000 0.446 693 V N 1.140 121.157 119.914 0.172 0.000 2.324 693 V HA -0.292 3.824 4.120 -0.006 0.000 0.250 693 V C 2.582 178.825 176.094 0.248 0.000 1.060 693 V CA 2.242 64.641 62.300 0.164 0.000 1.042 693 V CB -0.939 30.912 31.823 0.047 0.000 0.650 693 V HN 0.263 nan 8.190 nan 0.000 0.450 694 T N -0.657 114.100 114.554 0.340 0.000 2.622 694 T HA -0.299 4.047 4.350 -0.006 0.000 0.266 694 T C 1.987 176.751 174.700 0.106 0.000 1.047 694 T CA 2.085 64.403 62.100 0.362 0.000 1.159 694 T CB -0.263 68.786 68.868 0.302 0.000 0.863 694 T HN 0.371 nan 8.240 nan 0.000 0.422 695 K N 0.747 121.201 120.400 0.089 0.000 2.020 695 K HA -0.183 4.134 4.320 -0.006 0.000 0.212 695 K C 2.328 178.949 176.600 0.034 0.000 1.050 695 K CA 1.826 58.138 56.287 0.042 0.000 0.929 695 K CB -0.187 32.340 32.500 0.046 0.000 0.714 695 K HN 0.452 nan 8.250 nan 0.000 0.443 696 E N -0.144 120.092 120.200 0.060 0.000 2.045 696 E HA -0.312 4.034 4.350 -0.006 0.000 0.212 696 E C 1.777 178.395 176.600 0.031 0.000 1.039 696 E CA 1.866 58.297 56.400 0.051 0.000 0.860 696 E CB -0.314 29.430 29.700 0.074 0.000 0.776 696 E HN 0.387 nan 8.360 nan 0.000 0.467 697 A N 0.147 122.995 122.820 0.047 0.000 2.032 697 A HA -0.269 4.048 4.320 -0.006 0.000 0.221 697 A C 2.040 179.571 177.584 -0.090 0.000 1.165 697 A CA 1.875 53.907 52.037 -0.009 0.000 0.645 697 A CB -0.553 18.458 19.000 0.018 0.000 0.807 697 A HN 0.452 nan 8.150 nan 0.000 0.453 698 Q N -1.437 118.311 119.800 -0.086 0.000 2.435 698 Q HA 0.169 4.506 4.340 -0.006 0.000 0.207 698 Q C 1.472 177.435 176.000 -0.061 0.000 0.956 698 Q CA 0.685 56.427 55.803 -0.101 0.000 0.917 698 Q CB -0.079 28.610 28.738 -0.082 0.000 0.997 698 Q HN 0.649 nan 8.270 nan 0.000 0.497 699 A N 0.155 122.953 122.820 -0.036 0.000 2.507 699 A HA 0.124 4.440 4.320 -0.006 0.000 0.270 699 A C 0.331 177.903 177.584 -0.020 0.000 1.318 699 A CA -0.227 51.797 52.037 -0.022 0.000 0.924 699 A CB 0.095 19.090 19.000 -0.008 0.000 1.061 699 A HN 0.332 nan 8.150 nan 0.000 0.516 700 N N -1.001 117.681 118.700 -0.030 0.000 2.809 700 N HA -0.216 4.521 4.740 -0.006 0.000 0.244 700 N C 0.923 176.426 175.510 -0.012 0.000 1.018 700 N CA 1.539 54.574 53.050 -0.025 0.000 0.917 700 N CB -1.405 37.068 38.487 -0.023 0.000 1.130 700 N HN 0.578 nan 8.380 nan 0.000 0.591 701 L N -0.266 120.955 121.223 -0.004 0.000 2.027 701 L HA -0.012 4.325 4.340 -0.006 0.000 0.206 701 L C 1.528 178.405 176.870 0.012 0.000 1.074 701 L CA 0.463 55.306 54.840 0.005 0.000 0.745 701 L CB -0.317 41.749 42.059 0.011 0.000 0.898 701 L HN 0.211 nan 8.230 nan 0.000 0.433 702 L N 1.463 122.698 121.223 0.019 0.000 2.667 702 L HA -0.088 4.248 4.340 -0.006 0.000 0.296 702 L C -0.162 176.719 176.870 0.018 0.000 1.252 702 L CA 1.055 55.913 54.840 0.029 0.000 0.891 702 L CB 0.252 42.338 42.059 0.046 0.000 1.141 702 L HN 0.251 nan 8.230 nan 0.000 0.501 703 T N 3.929 118.495 114.554 0.021 0.000 2.824 703 T HA 0.514 4.860 4.350 -0.006 0.000 0.280 703 T C 0.164 174.874 174.700 0.016 0.000 0.995 703 T CA -0.585 61.525 62.100 0.016 0.000 1.009 703 T CB 1.609 70.488 68.868 0.018 0.000 0.955 703 T HN 0.730 nan 8.240 nan 0.000 0.452 704 A N 3.805 126.632 122.820 0.012 0.000 2.354 704 A HA 0.331 4.648 4.320 -0.006 0.000 0.281 704 A C 0.504 178.100 177.584 0.021 0.000 1.174 704 A CA -0.667 51.376 52.037 0.010 0.000 0.828 704 A CB -0.035 18.963 19.000 -0.003 0.000 1.099 704 A HN 0.765 nan 8.150 nan 0.000 0.516 705 K N 3.284 123.695 120.400 0.019 0.000 2.402 705 K HA -0.040 4.276 4.320 -0.006 0.000 0.279 705 K C -0.055 176.571 176.600 0.045 0.000 1.082 705 K CA -0.024 56.285 56.287 0.037 0.000 1.080 705 K CB -0.010 32.503 32.500 0.023 0.000 0.899 705 K HN 0.843 nan 8.250 nan 0.000 0.469 706 H N 1.850 120.913 119.070 -0.012 0.000 3.203 706 H HA -0.139 4.414 4.556 -0.006 0.000 0.288 706 H C 1.168 176.488 175.328 -0.013 0.000 0.908 706 H CA 1.987 58.024 56.048 -0.018 0.000 1.389 706 H CB -0.087 29.659 29.762 -0.027 0.000 1.294 706 H HN 0.916 nan 8.280 nan 0.000 0.559 707 G N 4.244 112.697 108.800 -0.579 0.000 2.256 707 G HA2 -0.175 3.782 3.960 -0.006 0.000 0.272 707 G HA3 -0.175 3.782 3.960 -0.006 0.000 0.272 707 G C -0.221 174.582 174.900 -0.162 0.000 1.076 707 G CA 0.310 45.177 45.100 -0.389 0.000 0.882 707 G HN 0.962 nan 8.290 nan 0.000 0.497 708 M N -2.469 117.061 119.600 -0.116 0.000 2.484 708 M HA 0.446 4.922 4.480 -0.006 0.000 0.292 708 M C -0.194 176.082 176.300 -0.041 0.000 1.123 708 M CA -0.988 54.276 55.300 -0.060 0.000 0.910 708 M CB 0.418 32.997 32.600 -0.035 0.000 1.782 708 M HN 0.023 nan 8.290 nan 0.000 0.512 709 T N 2.962 117.500 114.554 -0.027 0.000 2.933 709 T HA 0.167 4.514 4.350 -0.006 0.000 0.306 709 T C 1.309 176.006 174.700 -0.005 0.000 1.045 709 T CA -0.230 61.861 62.100 -0.016 0.000 1.143 709 T CB 0.191 69.056 68.868 -0.004 0.000 1.003 709 T HN 0.582 nan 8.240 nan 0.000 0.540 710 L N 2.189 123.407 121.223 -0.007 0.000 2.450 710 L HA 0.068 4.405 4.340 -0.006 0.000 0.224 710 L C 2.363 179.247 176.870 0.024 0.000 1.149 710 L CA 1.296 56.139 54.840 0.005 0.000 0.816 710 L CB -1.161 40.894 42.059 -0.006 0.000 0.932 710 L HN 0.537 nan 8.230 nan 0.000 0.449 711 R N 0.307 120.814 120.500 0.013 0.000 2.075 711 R HA -0.051 4.285 4.340 -0.006 0.000 0.226 711 R C 2.181 178.532 176.300 0.086 0.000 1.114 711 R CA 0.873 56.993 56.100 0.033 0.000 0.972 711 R CB -0.011 30.293 30.300 0.006 0.000 0.869 711 R HN 0.473 nan 8.270 nan 0.000 0.437 712 E N 0.007 120.234 120.200 0.044 0.000 2.130 712 E HA -0.179 4.168 4.350 -0.006 0.000 0.196 712 E C 1.739 178.347 176.600 0.013 0.000 0.998 712 E CA 1.841 58.258 56.400 0.029 0.000 0.806 712 E CB 0.045 29.748 29.700 0.006 0.000 0.738 712 E HN 0.329 nan 8.360 nan 0.000 0.459 713 S N 0.322 116.031 115.700 0.015 0.000 2.461 713 S HA -0.078 4.389 4.470 -0.006 0.000 0.228 713 S C 1.618 176.188 174.600 -0.050 0.000 1.005 713 S CA 0.332 58.521 58.200 -0.019 0.000 0.942 713 S CB -0.193 63.005 63.200 -0.003 0.000 0.776 713 S HN 0.303 nan 8.310 nan 0.000 0.514 714 F N 2.815 122.701 119.950 -0.106 0.000 2.118 714 F HA 0.071 4.595 4.527 -0.006 0.000 0.293 714 F C 2.319 178.027 175.800 -0.152 0.000 1.102 714 F CA 1.196 59.114 58.000 -0.136 0.000 1.247 714 F CB -0.265 38.661 39.000 -0.124 0.000 1.017 714 F HN -0.030 nan 8.300 nan 0.000 0.475 715 E N 0.696 120.879 120.200 -0.029 0.000 2.012 715 E HA -0.294 4.052 4.350 -0.006 0.000 0.197 715 E C 1.920 178.366 176.600 -0.257 0.000 1.007 715 E CA 1.926 58.257 56.400 -0.115 0.000 0.816 715 E CB -0.937 28.795 29.700 0.054 0.000 0.762 715 E HN 0.516 nan 8.360 nan 0.000 0.451 716 D N 0.351 120.651 120.400 -0.167 0.000 2.133 716 D HA -0.192 4.444 4.640 -0.006 0.000 0.192 716 D C 1.691 177.813 176.300 -0.296 0.000 1.001 716 D CA 1.496 55.390 54.000 -0.176 0.000 0.844 716 D CB -0.052 40.686 40.800 -0.104 0.000 0.944 716 D HN 0.020 nan 8.370 nan 0.000 0.447 717 N N -0.266 118.178 118.700 -0.426 0.000 2.005 717 N HA -0.173 4.563 4.740 -0.006 0.000 0.199 717 N C 2.050 176.964 175.510 -0.993 0.000 1.054 717 N CA 1.780 54.398 53.050 -0.721 0.000 0.864 717 N CB -0.875 37.099 38.487 -0.854 0.000 1.063 717 N HN 0.146 nan 8.380 nan 0.000 0.428 718 V N 1.212 120.536 119.914 -0.982 0.000 2.231 718 V HA -0.267 3.850 4.120 -0.006 0.000 0.250 718 V C 2.508 178.362 176.094 -0.400 0.000 1.058 718 V CA 1.957 63.814 62.300 -0.738 0.000 1.022 718 V CB -1.038 30.363 31.823 -0.703 0.000 0.640 718 V HN 0.132 nan 8.190 nan 0.000 0.445 719 V N -0.328 119.397 119.914 -0.315 0.000 2.370 719 V HA -0.331 3.786 4.120 -0.006 0.000 0.252 719 V C 2.529 178.554 176.094 -0.114 0.000 1.068 719 V CA 2.470 64.664 62.300 -0.178 0.000 1.061 719 V CB -0.967 30.778 31.823 -0.129 0.000 0.656 719 V HN 0.444 nan 8.190 nan 0.000 0.455 720 R N -1.001 119.423 120.500 -0.127 0.000 2.093 720 R HA 0.018 4.355 4.340 -0.006 0.000 0.224 720 R C 2.352 178.732 176.300 0.134 0.000 1.101 720 R CA 1.209 57.305 56.100 -0.007 0.000 0.979 720 R CB -0.238 30.057 30.300 -0.008 0.000 0.877 720 R HN 0.533 nan 8.270 nan 0.000 0.441 721 F N 0.386 120.252 119.950 -0.140 0.000 2.171 721 F HA -0.220 4.304 4.527 -0.006 0.000 0.300 721 F C 1.688 177.387 175.800 -0.168 0.000 1.090 721 F CA 0.462 58.376 58.000 -0.143 0.000 1.293 721 F CB 0.116 39.012 39.000 -0.173 0.000 1.013 721 F HN 0.039 nan 8.300 nan 0.000 0.486 722 L N -1.065 120.130 121.223 -0.046 0.000 2.416 722 L HA -0.012 4.325 4.340 -0.006 0.000 0.216 722 L C 1.685 178.543 176.870 -0.020 0.000 1.098 722 L CA 0.514 55.218 54.840 -0.226 0.000 0.840 722 L CB -0.917 40.686 42.059 -0.760 0.000 0.981 722 L HN -0.067 nan 8.230 nan 0.000 0.462 723 N N 0.712 119.426 118.700 0.023 0.000 2.062 723 N HA -0.161 4.575 4.740 -0.006 0.000 0.191 723 N C 1.768 177.331 175.510 0.089 0.000 1.042 723 N CA 1.331 54.427 53.050 0.077 0.000 0.845 723 N CB -0.183 38.337 38.487 0.054 0.000 1.024 723 N HN 0.373 nan 8.380 nan 0.000 0.424 724 E N 0.726 120.968 120.200 0.071 0.000 2.108 724 E HA -0.252 4.095 4.350 -0.006 0.000 0.203 724 E C 1.889 178.530 176.600 0.068 0.000 1.022 724 E CA 1.576 58.014 56.400 0.063 0.000 0.823 724 E CB -0.188 29.540 29.700 0.048 0.000 0.744 724 E HN 0.389 nan 8.360 nan 0.000 0.456 725 A N 1.578 124.434 122.820 0.059 0.000 1.865 725 A HA -0.296 4.021 4.320 -0.006 0.000 0.217 725 A C 2.112 179.783 177.584 0.145 0.000 1.191 725 A CA 2.092 54.179 52.037 0.083 0.000 0.623 725 A CB -0.743 18.297 19.000 0.067 0.000 0.826 725 A HN 0.268 nan 8.150 nan 0.000 0.444 726 R N -0.029 120.590 120.500 0.199 0.000 2.115 726 R HA -0.268 4.068 4.340 -0.006 0.000 0.239 726 R C 1.596 177.989 176.300 0.155 0.000 1.133 726 R CA 2.532 58.738 56.100 0.176 0.000 0.935 726 R CB -0.867 29.531 30.300 0.163 0.000 0.853 726 R HN 0.423 nan 8.270 nan 0.000 0.433 727 D N -0.063 120.447 120.400 0.183 0.000 2.116 727 D HA -0.203 4.434 4.640 -0.006 0.000 0.193 727 D C 1.854 178.309 176.300 0.259 0.000 0.998 727 D CA 2.010 56.172 54.000 0.271 0.000 0.836 727 D CB -0.124 40.796 40.800 0.200 0.000 0.951 727 D HN 0.415 nan 8.370 nan 0.000 0.449 728 K N 0.603 121.092 120.400 0.148 0.000 2.002 728 K HA -0.071 4.245 4.320 -0.006 0.000 0.209 728 K C 2.009 178.686 176.600 0.128 0.000 1.048 728 K CA 1.540 57.890 56.287 0.105 0.000 0.930 728 K CB -0.286 32.249 32.500 0.059 0.000 0.714 728 K HN 0.045 nan 8.250 nan 0.000 0.438 729 A N 0.902 123.794 122.820 0.120 0.000 1.892 729 A HA -0.104 4.212 4.320 -0.006 0.000 0.218 729 A C 2.436 180.103 177.584 0.139 0.000 1.188 729 A CA 2.157 54.255 52.037 0.102 0.000 0.631 729 A CB -1.761 17.288 19.000 0.081 0.000 0.822 729 A HN 0.599 nan 8.150 nan 0.000 0.447 730 G N -0.361 108.553 108.800 0.191 0.000 2.628 730 G HA2 -0.329 3.627 3.960 -0.006 0.000 0.217 730 G HA3 -0.329 3.627 3.960 -0.006 0.000 0.217 730 G C 1.699 176.911 174.900 0.520 0.000 1.240 730 G CA 1.219 46.473 45.100 0.257 0.000 0.792 730 G HN 0.600 nan 8.290 nan 0.000 0.593 731 R N -0.224 120.614 120.500 0.563 0.000 2.117 731 R HA -0.002 4.335 4.340 -0.006 0.000 0.243 731 R C 2.699 179.095 176.300 0.161 0.000 1.143 731 R CA 1.066 57.295 56.100 0.214 0.000 0.968 731 R CB -0.595 29.686 30.300 -0.032 0.000 0.863 731 R HN 0.344 nan 8.270 nan 0.000 0.444 732 L N 0.092 121.398 121.223 0.139 0.000 2.129 732 L HA -0.240 4.097 4.340 -0.006 0.000 0.212 732 L C 2.403 179.329 176.870 0.093 0.000 1.087 732 L CA 1.463 56.357 54.840 0.090 0.000 0.757 732 L CB -0.238 41.866 42.059 0.074 0.000 0.896 732 L HN 0.285 nan 8.230 nan 0.000 0.434 733 A N -1.044 121.849 122.820 0.122 0.000 1.943 733 A HA -0.172 4.145 4.320 -0.006 0.000 0.213 733 A C 2.062 179.720 177.584 0.124 0.000 1.181 733 A CA 0.941 53.039 52.037 0.101 0.000 0.653 733 A CB -0.357 18.692 19.000 0.082 0.000 0.833 733 A HN 0.423 nan 8.150 nan 0.000 0.451 734 E N 0.336 120.657 120.200 0.202 0.000 2.253 734 E HA -0.204 4.143 4.350 -0.006 0.000 0.202 734 E C 1.474 178.139 176.600 0.108 0.000 1.014 734 E CA 1.958 58.478 56.400 0.199 0.000 0.823 734 E CB -0.233 29.604 29.700 0.228 0.000 0.736 734 E HN 0.412 nan 8.360 nan 0.000 0.478 735 V N 0.277 120.241 119.914 0.084 0.000 2.878 735 V HA -0.088 4.028 4.120 -0.006 0.000 0.250 735 V C 1.891 178.014 176.094 0.049 0.000 1.075 735 V CA 1.368 63.702 62.300 0.056 0.000 1.096 735 V CB -0.617 31.230 31.823 0.040 0.000 0.724 735 V HN 0.277 nan 8.190 nan 0.000 0.467 736 N N 1.724 120.454 118.700 0.050 0.000 2.051 736 N HA -0.021 4.715 4.740 -0.006 0.000 0.192 736 N C 0.681 176.217 175.510 0.044 0.000 1.049 736 N CA 0.929 54.004 53.050 0.041 0.000 0.845 736 N CB -0.431 38.079 38.487 0.038 0.000 1.031 736 N HN 0.410 nan 8.380 nan 0.000 0.425 737 L N 3.011 124.264 121.223 0.050 0.000 3.009 737 L HA -0.167 4.169 4.340 -0.006 0.000 0.302 737 L C 0.506 177.406 176.870 0.049 0.000 1.060 737 L CA 0.401 55.272 54.840 0.052 0.000 0.941 737 L CB -0.852 41.244 42.059 0.062 0.000 1.406 737 L HN 0.172 nan 8.230 nan 0.000 0.473 738 K N 2.441 122.868 120.400 0.045 0.000 2.273 738 K HA 0.158 4.475 4.320 -0.006 0.000 0.240 738 K C 0.303 176.929 176.600 0.043 0.000 1.056 738 K CA -0.909 55.401 56.287 0.040 0.000 0.910 738 K CB 0.582 33.103 32.500 0.036 0.000 1.196 738 K HN 0.324 nan 8.250 nan 0.000 0.509 739 D N 0.372 120.794 120.400 0.036 0.000 2.378 739 D HA -0.039 4.598 4.640 -0.006 0.000 0.222 739 D C 1.278 177.605 176.300 0.045 0.000 0.980 739 D CA 0.790 54.811 54.000 0.034 0.000 0.907 739 D CB -0.116 40.697 40.800 0.021 0.000 0.899 739 D HN 0.421 nan 8.370 nan 0.000 0.527 740 L N -2.229 119.026 121.223 0.055 0.000 2.728 740 L HA 0.345 4.682 4.340 -0.006 0.000 0.238 740 L C 0.369 177.296 176.870 0.095 0.000 1.143 740 L CA -0.521 54.363 54.840 0.074 0.000 0.937 740 L CB -0.434 41.665 42.059 0.066 0.000 1.225 740 L HN -0.306 nan 8.230 nan 0.000 0.507 741 N N 1.612 120.363 118.700 0.084 0.000 2.416 741 N HA 0.034 4.770 4.740 -0.006 0.000 0.265 741 N C 0.935 176.524 175.510 0.132 0.000 1.195 741 N CA -0.024 53.079 53.050 0.088 0.000 0.943 741 N CB 0.357 38.887 38.487 0.071 0.000 1.115 741 N HN 0.212 nan 8.380 nan 0.000 0.481 742 N N 2.720 121.518 118.700 0.164 0.000 2.258 742 N HA -0.176 4.561 4.740 -0.006 0.000 0.187 742 N C 1.182 176.839 175.510 0.244 0.000 1.012 742 N CA 0.919 54.146 53.050 0.296 0.000 0.870 742 N CB 0.010 38.580 38.487 0.138 0.000 0.977 742 N HN 0.330 nan 8.380 nan 0.000 0.434 743 V N 1.757 121.747 119.914 0.127 0.000 2.237 743 V HA -0.214 3.902 4.120 -0.006 0.000 0.245 743 V C 2.522 178.687 176.094 0.120 0.000 1.046 743 V CA 1.546 63.909 62.300 0.106 0.000 1.007 743 V CB -0.544 31.318 31.823 0.065 0.000 0.638 743 V HN 0.280 nan 8.190 nan 0.000 0.445 744 K N -0.521 119.941 120.400 0.103 0.000 2.211 744 K HA -0.232 4.085 4.320 -0.006 0.000 0.204 744 K C 2.213 178.867 176.600 0.090 0.000 1.047 744 K CA 1.416 57.758 56.287 0.092 0.000 0.935 744 K CB -0.096 32.453 32.500 0.080 0.000 0.728 744 K HN 0.484 nan 8.250 nan 0.000 0.452 745 Q N -0.470 119.401 119.800 0.119 0.000 2.224 745 Q HA -0.102 4.234 4.340 -0.006 0.000 0.203 745 Q C 1.854 177.889 176.000 0.058 0.000 0.970 745 Q CA 1.202 57.059 55.803 0.091 0.000 0.865 745 Q CB 0.111 28.943 28.738 0.156 0.000 0.922 745 Q HN 0.455 nan 8.270 nan 0.000 0.445 746 M N -0.886 118.801 119.600 0.145 0.000 2.486 746 M HA -0.064 4.412 4.480 -0.006 0.000 0.264 746 M C 2.026 178.374 176.300 0.080 0.000 1.125 746 M CA 0.332 55.709 55.300 0.128 0.000 1.144 746 M CB 0.459 33.187 32.600 0.213 0.000 1.353 746 M HN -0.042 nan 8.290 nan 0.000 0.466 747 V N 0.658 120.621 119.914 0.083 0.000 2.343 747 V HA -0.277 3.839 4.120 -0.006 0.000 0.247 747 V C 2.271 178.396 176.094 0.051 0.000 1.051 747 V CA 1.730 64.073 62.300 0.071 0.000 1.036 747 V CB -0.487 31.386 31.823 0.083 0.000 0.654 747 V HN 0.498 nan 8.190 nan 0.000 0.451 748 M N -0.362 119.261 119.600 0.039 0.000 2.175 748 M HA -0.097 4.380 4.480 -0.006 0.000 0.264 748 M C 2.368 178.672 176.300 0.007 0.000 1.063 748 M CA 1.921 57.233 55.300 0.020 0.000 1.119 748 M CB -0.520 32.085 32.600 0.008 0.000 1.377 748 M HN 0.398 nan 8.290 nan 0.000 0.415 749 A N 0.002 122.821 122.820 -0.002 0.000 1.930 749 A HA 0.115 4.432 4.320 -0.006 0.000 0.217 749 A C 1.745 179.334 177.584 0.008 0.000 1.175 749 A CA 1.516 53.545 52.037 -0.012 0.000 0.627 749 A CB -0.979 18.004 19.000 -0.028 0.000 0.815 749 A HN 0.668 nan 8.150 nan 0.000 0.443 750 G N -0.990 107.824 108.800 0.024 0.000 2.165 750 G HA2 -0.208 3.749 3.960 -0.006 0.000 0.226 750 G HA3 -0.208 3.749 3.960 -0.006 0.000 0.226 750 G C 0.874 175.794 174.900 0.033 0.000 1.035 750 G CA 1.176 46.295 45.100 0.030 0.000 0.744 750 G HN 1.423 nan 8.290 nan 0.000 0.501 751 S N -1.360 114.363 115.700 0.039 0.000 2.388 751 S HA 0.433 4.900 4.470 -0.006 0.000 0.223 751 S C 0.878 175.509 174.600 0.052 0.000 1.034 751 S CA 1.384 59.612 58.200 0.047 0.000 0.963 751 S CB 0.642 63.880 63.200 0.064 0.000 0.827 751 S HN 0.536 nan 8.310 nan 0.000 0.481 752 K N -0.150 120.285 120.400 0.059 0.000 2.675 752 K HA 0.488 4.804 4.320 -0.006 0.000 0.280 752 K C -0.553 176.080 176.600 0.056 0.000 0.993 752 K CA 0.242 56.560 56.287 0.052 0.000 0.863 752 K CB 1.519 34.051 32.500 0.053 0.000 1.438 752 K HN 0.630 nan 8.250 nan 0.000 0.389 753 G N 0.776 109.603 108.800 0.045 0.000 2.603 753 G HA2 0.021 3.978 3.960 -0.006 0.000 0.686 753 G HA3 0.021 3.978 3.960 -0.006 0.000 0.686 753 G C -1.189 173.746 174.900 0.058 0.000 1.286 753 G CA -0.318 44.811 45.100 0.048 0.000 0.871 753 G HN 0.775 nan 8.290 nan 0.000 0.568 754 S N -1.478 114.261 115.700 0.064 0.000 2.661 754 S HA 0.655 5.122 4.470 -0.006 0.000 0.268 754 S C 0.356 175.027 174.600 0.119 0.000 1.162 754 S CA 0.115 58.374 58.200 0.099 0.000 0.817 754 S CB 1.438 64.690 63.200 0.087 0.000 1.141 754 S HN 1.885 nan 8.310 nan 0.000 0.477 755 F N 1.878 121.848 119.950 0.033 0.000 2.031 755 F HA -0.019 4.505 4.527 -0.006 0.000 0.295 755 F C 1.953 177.776 175.800 0.039 0.000 1.133 755 F CA 1.439 59.459 58.000 0.034 0.000 1.188 755 F CB -0.476 38.542 39.000 0.029 0.000 0.974 755 F HN 0.507 nan 8.300 nan 0.000 0.473 756 I N 1.767 122.157 120.570 -0.300 0.000 2.130 756 I HA -0.470 3.697 4.170 -0.006 0.000 0.241 756 I C 2.220 178.168 176.117 -0.281 0.000 1.023 756 I CA 2.080 63.166 61.300 -0.357 0.000 1.293 756 I CB -1.377 36.595 38.000 -0.048 0.000 1.001 756 I HN 0.367 nan 8.210 nan 0.000 0.407 757 N N 0.570 119.197 118.700 -0.121 0.000 2.094 757 N HA -0.195 4.542 4.740 -0.006 0.000 0.191 757 N C 1.745 177.209 175.510 -0.078 0.000 1.023 757 N CA 1.451 54.469 53.050 -0.054 0.000 0.857 757 N CB -0.194 38.286 38.487 -0.012 0.000 1.013 757 N HN 0.337 nan 8.380 nan 0.000 0.426 758 I N 1.500 121.993 120.570 -0.128 0.000 2.202 758 I HA -0.155 4.012 4.170 -0.006 0.000 0.242 758 I C 2.524 178.533 176.117 -0.180 0.000 1.091 758 I CA 0.538 61.778 61.300 -0.101 0.000 1.368 758 I CB -1.691 36.284 38.000 -0.041 0.000 1.058 758 I HN -0.003 nan 8.210 nan 0.000 0.410 759 A N 0.816 123.373 122.820 -0.438 0.000 1.859 759 A HA -0.282 4.035 4.320 -0.006 0.000 0.218 759 A C 2.286 179.746 177.584 -0.207 0.000 1.209 759 A CA 2.056 53.824 52.037 -0.448 0.000 0.639 759 A CB -0.914 17.605 19.000 -0.801 0.000 0.835 759 A HN 0.541 nan 8.150 nan 0.000 0.450 760 Q N -1.318 118.387 119.800 -0.158 0.000 2.050 760 Q HA -0.140 4.197 4.340 -0.006 0.000 0.202 760 Q C 2.335 178.356 176.000 0.035 0.000 0.980 760 Q CA 1.618 57.379 55.803 -0.070 0.000 0.840 760 Q CB -0.272 28.506 28.738 0.067 0.000 0.898 760 Q HN 0.725 nan 8.270 nan 0.000 0.424 761 M N 0.052 119.708 119.600 0.093 0.000 2.067 761 M HA -0.147 4.330 4.480 -0.006 0.000 0.260 761 M C 1.962 178.292 176.300 0.049 0.000 1.069 761 M CA 1.549 56.919 55.300 0.116 0.000 1.117 761 M CB 0.075 32.716 32.600 0.069 0.000 1.334 761 M HN 0.061 nan 8.290 nan 0.000 0.407 762 S N -0.745 114.960 115.700 0.008 0.000 2.503 762 S HA 0.287 4.753 4.470 -0.006 0.000 0.215 762 S C 1.319 175.915 174.600 -0.007 0.000 1.003 762 S CA 0.274 58.477 58.200 0.006 0.000 0.910 762 S CB 0.268 63.477 63.200 0.015 0.000 0.790 762 S HN 0.453 nan 8.310 nan 0.000 0.514 763 A N 1.228 124.029 122.820 -0.032 0.000 2.930 763 A HA 0.560 4.877 4.320 -0.006 0.000 0.213 763 A C 0.802 178.351 177.584 -0.059 0.000 2.276 763 A CA 0.565 52.585 52.037 -0.029 0.000 1.182 763 A CB -0.601 18.387 19.000 -0.020 0.000 1.301 763 A HN 0.717 nan 8.150 nan 0.000 0.481 764 C N -0.622 118.621 119.300 -0.095 0.000 2.609 764 C HA 0.648 5.105 4.460 -0.006 0.000 0.313 764 C C 1.435 176.285 174.990 -0.234 0.000 1.175 764 C CA -0.088 58.831 59.018 -0.164 0.000 1.434 764 C CB 0.752 28.413 27.740 -0.131 0.000 2.005 764 C HN 1.000 nan 8.230 nan 0.000 0.471 765 V N 2.815 122.515 119.914 -0.356 0.000 2.379 765 V HA 0.549 4.666 4.120 -0.006 0.000 0.245 765 V C 1.460 177.350 176.094 -0.340 0.000 1.044 765 V CA 1.734 63.772 62.300 -0.436 0.000 1.036 765 V CB -1.716 29.686 31.823 -0.701 0.000 0.664 765 V HN 2.396 nan 8.190 nan 0.000 0.453 766 G N -0.347 108.214 108.800 -0.399 0.000 2.331 766 G HA2 0.092 4.048 3.960 -0.006 0.000 0.479 766 G HA3 0.092 4.048 3.960 -0.006 0.000 0.479 766 G C -1.099 173.715 174.900 -0.144 0.000 1.262 766 G CA -0.141 44.828 45.100 -0.219 0.000 1.029 766 G HN 0.638 nan 8.290 nan 0.000 0.487 767 Q N -0.089 119.794 119.800 0.139 0.000 2.279 767 Q HA 0.654 4.991 4.340 -0.006 0.000 0.256 767 Q C 0.065 176.069 176.000 0.006 0.000 0.937 767 Q CA -0.195 55.716 55.803 0.179 0.000 0.933 767 Q CB 1.198 30.042 28.738 0.177 0.000 1.189 767 Q HN 0.536 nan 8.270 nan 0.000 0.417 768 Q N 1.326 121.107 119.800 -0.033 0.000 2.293 768 Q HA 0.542 4.879 4.340 -0.006 0.000 0.251 768 Q C -1.179 174.794 176.000 -0.045 0.000 0.930 768 Q CA 0.082 55.850 55.803 -0.058 0.000 0.893 768 Q CB 1.496 30.212 28.738 -0.036 0.000 1.215 768 Q HN 0.702 nan 8.270 nan 0.000 0.425 769 S N 0.585 116.266 115.700 -0.031 0.000 2.572 769 S HA 0.748 5.215 4.470 -0.006 0.000 0.274 769 S C -1.246 173.342 174.600 -0.020 0.000 1.150 769 S CA -0.797 57.384 58.200 -0.031 0.000 0.944 769 S CB 1.176 64.362 63.200 -0.023 0.000 1.071 769 S HN 0.226 nan 8.310 nan 0.000 0.479 770 V N 2.732 122.631 119.914 -0.025 0.000 2.540 770 V HA 0.564 4.680 4.120 -0.006 0.000 0.302 770 V C 0.308 176.393 176.094 -0.015 0.000 1.035 770 V CA -0.500 61.791 62.300 -0.015 0.000 0.873 770 V CB 1.039 32.856 31.823 -0.010 0.000 0.992 770 V HN 1.180 nan 8.190 nan 0.000 0.428 771 E N 3.502 123.697 120.200 -0.008 0.000 2.269 771 E HA -0.273 4.074 4.350 -0.006 0.000 0.223 771 E C 1.282 177.877 176.600 -0.008 0.000 1.244 771 E CA 0.880 57.276 56.400 -0.005 0.000 0.713 771 E CB -1.120 28.578 29.700 -0.003 0.000 1.178 771 E HN 1.502 nan 8.360 nan 0.000 0.370 772 G N -0.422 108.373 108.800 -0.009 0.000 2.228 772 G HA2 -0.409 3.548 3.960 -0.006 0.000 0.270 772 G HA3 -0.409 3.548 3.960 -0.006 0.000 0.270 772 G C 0.147 175.036 174.900 -0.019 0.000 0.976 772 G CA 1.140 46.233 45.100 -0.010 0.000 0.636 772 G HN 0.377 nan 8.290 nan 0.000 0.542 773 K N 0.870 121.254 120.400 -0.026 0.000 2.203 773 K HA 0.604 4.921 4.320 -0.006 0.000 0.251 773 K C 0.922 177.485 176.600 -0.061 0.000 0.944 773 K CA -1.065 55.199 56.287 -0.039 0.000 0.829 773 K CB 1.589 34.068 32.500 -0.035 0.000 1.125 773 K HN 0.439 nan 8.250 nan 0.000 0.430 774 R N 1.111 121.563 120.500 -0.080 0.000 2.944 774 R HA 0.104 4.441 4.340 -0.006 0.000 0.279 774 R C 0.227 176.434 176.300 -0.155 0.000 1.048 774 R CA -0.607 55.426 56.100 -0.112 0.000 1.196 774 R CB -0.136 30.088 30.300 -0.126 0.000 1.134 774 R HN 0.425 nan 8.270 nan 0.000 0.525 775 I N 1.601 122.048 120.570 -0.205 0.000 2.919 775 I HA -0.133 4.034 4.170 -0.006 0.000 0.299 775 I C 1.381 177.336 176.117 -0.271 0.000 1.221 775 I CA 0.520 61.689 61.300 -0.217 0.000 1.424 775 I CB -0.949 36.855 38.000 -0.328 0.000 1.358 775 I HN 0.790 nan 8.210 nan 0.000 0.551 776 A N 7.819 130.545 122.820 -0.157 0.000 2.297 776 A HA 0.195 4.512 4.320 -0.006 0.000 0.279 776 A C 0.054 177.545 177.584 -0.156 0.000 1.219 776 A CA 0.288 52.230 52.037 -0.159 0.000 0.827 776 A CB 0.076 19.071 19.000 -0.009 0.000 1.129 776 A HN 0.633 nan 8.150 nan 0.000 0.511 777 F N -0.635 119.347 119.950 0.055 0.000 2.550 777 F HA 0.343 4.867 4.527 -0.006 0.000 0.348 777 F C 1.510 177.374 175.800 0.106 0.000 1.219 777 F CA -0.219 57.835 58.000 0.091 0.000 1.203 777 F CB 0.996 40.014 39.000 0.030 0.000 1.436 777 F HN 0.736 nan 8.300 nan 0.000 0.541 778 G N 2.183 111.158 108.800 0.292 0.000 2.414 778 G HA2 -0.173 3.783 3.960 -0.006 0.000 0.215 778 G HA3 -0.173 3.783 3.960 -0.006 0.000 0.215 778 G C 0.575 175.526 174.900 0.085 0.000 1.188 778 G CA 0.419 45.587 45.100 0.112 0.000 0.783 778 G HN 0.269 nan 8.290 nan 0.000 0.537 779 F N -0.100 119.951 119.950 0.170 0.000 2.426 779 F HA 0.368 4.891 4.527 -0.006 0.000 0.309 779 F C 0.785 176.630 175.800 0.074 0.000 1.246 779 F CA -0.830 57.233 58.000 0.106 0.000 1.229 779 F CB 0.703 39.765 39.000 0.103 0.000 1.255 779 F HN -0.193 nan 8.300 nan 0.000 0.558 780 V N 1.546 121.598 119.914 0.231 0.000 2.479 780 V HA 0.014 4.131 4.120 -0.006 0.000 0.281 780 V C -0.206 175.789 176.094 -0.165 0.000 1.031 780 V CA -0.441 61.880 62.300 0.034 0.000 1.038 780 V CB 0.159 31.994 31.823 0.020 0.000 0.981 780 V HN 0.775 nan 8.190 nan 0.000 0.478 781 D N 2.539 122.685 120.400 -0.424 0.000 2.913 781 D HA -0.215 4.422 4.640 -0.006 0.000 0.228 781 D C 0.532 176.018 176.300 -1.356 0.000 1.180 781 D CA 1.617 55.017 54.000 -1.000 0.000 0.761 781 D CB -0.607 39.912 40.800 -0.468 0.000 1.085 781 D HN 0.941 nan 8.370 nan 0.000 0.420 782 R N -3.691 116.305 120.500 -0.840 0.000 2.710 782 R HA 0.583 4.920 4.340 -0.006 0.000 0.270 782 R C 0.450 177.216 176.300 0.777 0.000 1.021 782 R CA -0.850 55.271 56.100 0.035 0.000 0.889 782 R CB 0.622 30.978 30.300 0.092 0.000 1.243 782 R HN -0.244 nan 8.270 nan 0.000 0.464 783 T N 0.597 115.637 114.554 0.809 0.000 2.770 783 T HA 0.164 4.511 4.350 -0.006 0.000 0.263 783 T C 0.657 175.829 174.700 0.786 0.000 1.039 783 T CA 0.989 63.537 62.100 0.747 0.000 1.142 783 T CB -0.153 69.160 68.868 0.743 0.000 0.868 783 T HN 0.347 nan 8.240 nan 0.000 0.435 784 L N -0.488 121.095 121.223 0.600 0.000 2.502 784 L HA 0.380 4.716 4.340 -0.006 0.000 0.253 784 L C -2.325 174.382 176.870 -0.272 0.000 1.070 784 L CA -2.126 52.824 54.840 0.184 0.000 0.871 784 L CB 1.989 44.127 42.059 0.132 0.000 1.487 784 L HN -0.262 nan 8.230 nan 0.000 0.408 785 P HA 0.114 nan 4.420 nan 0.000 0.249 785 P C 0.079 177.106 177.300 -0.456 0.000 1.583 785 P CA 0.450 63.193 63.100 -0.595 0.000 0.988 785 P CB -0.106 31.125 31.700 -0.782 0.000 1.530 786 H N -1.581 117.290 119.070 -0.332 0.000 2.672 786 H HA 0.286 4.839 4.556 -0.006 0.000 0.277 786 H C 0.085 175.311 175.328 -0.169 0.000 1.074 786 H CA -0.179 55.689 56.048 -0.299 0.000 1.173 786 H CB 0.352 29.854 29.762 -0.434 0.000 1.558 786 H HN 0.183 nan 8.280 nan 0.000 0.539 787 F N 0.912 120.917 119.950 0.093 0.000 2.508 787 F HA 0.283 4.806 4.527 -0.006 0.000 0.325 787 F C 0.835 176.650 175.800 0.026 0.000 1.090 787 F CA -1.059 56.994 58.000 0.088 0.000 0.945 787 F CB 1.955 41.043 39.000 0.146 0.000 1.156 787 F HN -0.085 nan 8.300 nan 0.000 0.463 788 S N 1.738 117.582 115.700 0.240 0.000 2.617 788 S HA 0.175 4.642 4.470 -0.006 0.000 0.255 788 S C 0.001 174.638 174.600 0.061 0.000 1.318 788 S CA -0.479 57.784 58.200 0.105 0.000 0.978 788 S CB 0.582 63.829 63.200 0.079 0.000 0.961 788 S HN 0.447 nan 8.310 nan 0.000 0.582 789 K N 0.986 121.385 120.400 -0.002 0.000 2.087 789 K HA 0.187 4.504 4.320 -0.006 0.000 0.255 789 K C -0.765 175.798 176.600 -0.061 0.000 0.988 789 K CA -0.482 55.757 56.287 -0.081 0.000 0.915 789 K CB 0.373 32.821 32.500 -0.087 0.000 1.043 789 K HN 0.558 nan 8.250 nan 0.000 0.457 790 D N 2.462 122.779 120.400 -0.138 0.000 3.082 790 D HA -0.181 4.455 4.640 -0.006 0.000 0.234 790 D C -0.960 175.445 176.300 0.175 0.000 1.159 790 D CA 1.101 55.138 54.000 0.062 0.000 0.875 790 D CB -0.548 40.294 40.800 0.070 0.000 0.946 790 D HN 0.533 nan 8.370 nan 0.000 0.411 791 D N 0.734 121.250 120.400 0.194 0.000 2.336 791 D HA 0.105 4.742 4.640 -0.006 0.000 0.248 791 D C -0.009 176.379 176.300 0.147 0.000 1.326 791 D CA -0.578 53.525 54.000 0.173 0.000 0.973 791 D CB 0.149 40.964 40.800 0.025 0.000 1.255 791 D HN 0.045 nan 8.370 nan 0.000 0.558 792 Y N 1.065 121.408 120.300 0.071 0.000 2.466 792 Y HA 0.086 4.633 4.550 -0.006 0.000 0.272 792 Y C 1.751 177.691 175.900 0.068 0.000 1.169 792 Y CA -0.283 57.858 58.100 0.069 0.000 1.285 792 Y CB -0.321 38.178 38.460 0.064 0.000 1.078 792 Y HN 0.266 nan 8.280 nan 0.000 0.523 793 S N 1.823 117.611 115.700 0.148 0.000 2.580 793 S HA -0.015 4.452 4.470 -0.006 0.000 0.261 793 S C -1.119 173.480 174.600 -0.002 0.000 1.366 793 S CA -0.823 57.426 58.200 0.082 0.000 0.996 793 S CB 0.837 64.064 63.200 0.044 0.000 0.902 793 S HN 0.093 nan 8.310 nan 0.000 0.566 794 P HA -0.239 nan 4.420 nan 0.000 0.212 794 P C 1.369 178.709 177.300 0.066 0.000 1.178 794 P CA 1.975 65.078 63.100 0.004 0.000 0.915 794 P CB -0.295 31.405 31.700 0.001 0.000 0.788 795 E N 0.674 120.943 120.200 0.115 0.000 2.063 795 E HA -0.277 4.070 4.350 -0.006 0.000 0.221 795 E C 2.337 178.980 176.600 0.071 0.000 1.052 795 E CA 1.967 58.470 56.400 0.171 0.000 0.891 795 E CB -1.548 28.248 29.700 0.159 0.000 0.792 795 E HN 0.233 nan 8.360 nan 0.000 0.482 796 S N 0.681 116.222 115.700 -0.265 0.000 2.402 796 S HA -0.167 4.299 4.470 -0.006 0.000 0.233 796 S C 1.644 175.999 174.600 -0.409 0.000 1.030 796 S CA 1.339 59.101 58.200 -0.730 0.000 1.003 796 S CB -0.102 62.560 63.200 -0.896 0.000 0.813 796 S HN 0.171 nan 8.310 nan 0.000 0.477 797 K N -0.008 120.188 120.400 -0.341 0.000 2.437 797 K HA 0.254 4.571 4.320 -0.006 0.000 0.205 797 K C 0.738 177.061 176.600 -0.463 0.000 1.026 797 K CA 0.502 56.545 56.287 -0.406 0.000 1.153 797 K CB 0.322 32.633 32.500 -0.315 0.000 0.863 797 K HN 0.532 nan 8.250 nan 0.000 0.502 798 G N 1.523 109.954 108.800 -0.616 0.000 2.143 798 G HA2 -0.224 3.733 3.960 -0.006 0.000 0.175 798 G HA3 -0.224 3.733 3.960 -0.006 0.000 0.175 798 G C -0.549 174.306 174.900 -0.076 0.000 1.004 798 G CA -0.674 44.112 45.100 -0.524 0.000 0.671 798 G HN 0.269 nan 8.290 nan 0.000 0.512 799 F N 2.555 122.422 119.950 -0.139 0.000 2.335 799 F HA 0.610 5.134 4.527 -0.005 0.000 0.365 799 F C 0.524 176.331 175.800 0.013 0.000 1.122 799 F CA -1.097 56.868 58.000 -0.058 0.000 1.151 799 F CB 1.119 40.093 39.000 -0.045 0.000 1.282 799 F HN 0.022 nan 8.300 nan 0.000 0.513 800 V N 6.999 126.687 119.914 -0.375 0.000 2.508 800 V HA 0.057 4.174 4.120 -0.006 0.000 0.281 800 V C 0.989 176.641 176.094 -0.737 0.000 1.041 800 V CA 0.117 62.206 62.300 -0.352 0.000 1.016 800 V CB 1.307 32.952 31.823 -0.297 0.000 0.984 800 V HN 0.864 nan 8.190 nan 0.000 0.478 801 E N 3.756 123.686 120.200 -0.449 0.000 2.372 801 E HA 0.041 4.387 4.350 -0.006 0.000 0.201 801 E C 0.719 177.178 176.600 -0.236 0.000 0.938 801 E CA -0.149 56.000 56.400 -0.419 0.000 0.944 801 E CB 0.441 30.073 29.700 -0.114 0.000 0.937 801 E HN 0.797 nan 8.360 nan 0.000 0.495 802 N N 1.011 119.611 118.700 -0.168 0.000 2.294 802 N HA 0.045 4.782 4.740 -0.006 0.000 0.248 802 N C -0.162 175.246 175.510 -0.169 0.000 1.300 802 N CA 0.395 53.376 53.050 -0.114 0.000 0.925 802 N CB 0.966 39.418 38.487 -0.057 0.000 1.188 802 N HN 0.024 nan 8.380 nan 0.000 0.512 803 S N -1.146 114.485 115.700 -0.115 0.000 2.621 803 S HA 0.311 4.777 4.470 -0.006 0.000 0.302 803 S C 0.745 175.304 174.600 -0.068 0.000 1.093 803 S CA -0.774 57.349 58.200 -0.129 0.000 1.017 803 S CB 0.616 63.785 63.200 -0.052 0.000 1.077 803 S HN 0.519 nan 8.310 nan 0.000 0.517 804 Y N 0.244 120.541 120.300 -0.005 0.000 2.538 804 Y HA -0.155 4.391 4.550 -0.005 0.000 0.287 804 Y C 1.974 177.881 175.900 0.011 0.000 1.157 804 Y CA 0.603 58.716 58.100 0.022 0.000 1.338 804 Y CB -0.088 38.386 38.460 0.022 0.000 0.970 804 Y HN 0.586 nan 8.280 nan 0.000 0.564 805 L N 0.679 121.980 121.223 0.131 0.000 2.116 805 L HA -0.010 4.327 4.340 -0.006 0.000 0.200 805 L C 2.018 178.917 176.870 0.048 0.000 1.084 805 L CA 1.462 56.348 54.840 0.077 0.000 0.766 805 L CB -1.036 41.053 42.059 0.051 0.000 0.930 805 L HN -0.039 nan 8.230 nan 0.000 0.453 806 R N 0.858 121.374 120.500 0.027 0.000 2.105 806 R HA 0.244 4.580 4.340 -0.006 0.000 0.239 806 R C 0.542 176.856 176.300 0.023 0.000 1.135 806 R CA 0.775 56.886 56.100 0.018 0.000 0.967 806 R CB -0.740 29.565 30.300 0.007 0.000 0.861 806 R HN 0.635 nan 8.270 nan 0.000 0.442 807 G N 0.053 108.872 108.800 0.032 0.000 3.055 807 G HA2 -0.043 3.914 3.960 -0.006 0.000 0.685 807 G HA3 -0.043 3.914 3.960 -0.006 0.000 0.685 807 G C -0.956 173.967 174.900 0.038 0.000 1.212 807 G CA -1.144 43.983 45.100 0.045 0.000 0.822 807 G HN -0.025 nan 8.290 nan 0.000 0.610 808 L N 1.261 122.529 121.223 0.075 0.000 2.476 808 L HA 0.749 5.085 4.340 -0.006 0.000 0.255 808 L C 1.789 178.705 176.870 0.076 0.000 1.218 808 L CA 0.596 55.490 54.840 0.091 0.000 0.819 808 L CB 0.791 42.968 42.059 0.197 0.000 1.119 808 L HN 1.075 nan 8.230 nan 0.000 0.485 809 T N -2.854 111.750 114.554 0.084 0.000 2.922 809 T HA 0.480 4.827 4.350 -0.006 0.000 0.281 809 T C -2.057 172.681 174.700 0.064 0.000 1.005 809 T CA -1.805 60.324 62.100 0.048 0.000 0.982 809 T CB 1.443 70.333 68.868 0.037 0.000 1.158 809 T HN 0.319 nan 8.240 nan 0.000 0.566 810 P HA -0.135 nan 4.420 nan 0.000 0.213 810 P C 1.569 178.836 177.300 -0.055 0.000 1.170 810 P CA 1.427 64.514 63.100 -0.022 0.000 0.902 810 P CB -0.035 31.589 31.700 -0.126 0.000 0.789 811 Q N -0.176 119.500 119.800 -0.205 0.000 1.975 811 Q HA -0.195 4.142 4.340 -0.006 0.000 0.205 811 Q C 2.164 177.888 176.000 -0.461 0.000 0.990 811 Q CA 1.719 57.244 55.803 -0.464 0.000 0.845 811 Q CB -1.125 27.456 28.738 -0.261 0.000 0.913 811 Q HN 0.331 nan 8.270 nan 0.000 0.420 812 E N -0.227 119.984 120.200 0.019 0.000 2.095 812 E HA -0.267 4.080 4.350 -0.006 0.000 0.212 812 E C 1.716 178.424 176.600 0.180 0.000 1.044 812 E CA 1.474 58.015 56.400 0.235 0.000 0.857 812 E CB -0.353 29.457 29.700 0.184 0.000 0.764 812 E HN 0.234 nan 8.360 nan 0.000 0.462 813 F N 0.478 120.436 119.950 0.014 0.000 2.065 813 F HA -0.266 4.258 4.527 -0.006 0.000 0.298 813 F C 2.104 177.877 175.800 -0.045 0.000 1.112 813 F CA 1.647 59.653 58.000 0.010 0.000 1.212 813 F CB -0.564 38.430 39.000 -0.010 0.000 0.975 813 F HN 0.015 nan 8.300 nan 0.000 0.476 814 F N -0.146 119.685 119.950 -0.198 0.000 2.161 814 F HA -0.215 4.309 4.527 -0.006 0.000 0.300 814 F C 2.034 177.720 175.800 -0.190 0.000 1.089 814 F CA 1.651 59.485 58.000 -0.277 0.000 1.282 814 F CB -0.822 38.005 39.000 -0.290 0.000 1.010 814 F HN 0.022 nan 8.300 nan 0.000 0.485 815 F N -1.327 118.577 119.950 -0.076 0.000 2.060 815 F HA -0.224 4.300 4.527 -0.006 0.000 0.295 815 F C 2.706 178.440 175.800 -0.111 0.000 1.120 815 F CA 1.218 59.184 58.000 -0.056 0.000 1.205 815 F CB -1.093 37.951 39.000 0.074 0.000 0.986 815 F HN -0.022 nan 8.300 nan 0.000 0.470 816 H N 1.069 120.171 119.070 0.053 0.000 2.466 816 H HA -0.189 4.363 4.556 -0.006 0.000 0.297 816 H C 1.926 177.121 175.328 -0.223 0.000 1.113 816 H CA 1.245 57.253 56.048 -0.067 0.000 1.273 816 H CB -0.417 29.303 29.762 -0.069 0.000 1.371 816 H HN 0.235 nan 8.280 nan 0.000 0.528 817 A N 0.147 122.748 122.820 -0.364 0.000 1.930 817 A HA -0.108 4.209 4.320 -0.006 0.000 0.217 817 A C 2.638 180.018 177.584 -0.340 0.000 1.175 817 A CA 1.518 53.228 52.037 -0.544 0.000 0.627 817 A CB -0.556 17.950 19.000 -0.822 0.000 0.815 817 A HN 0.473 nan 8.150 nan 0.000 0.443 818 M N -0.153 119.273 119.600 -0.290 0.000 2.296 818 M HA 0.020 4.496 4.480 -0.006 0.000 0.265 818 M C 2.101 178.360 176.300 -0.068 0.000 1.064 818 M CA 0.808 56.012 55.300 -0.161 0.000 1.109 818 M CB -0.660 31.892 32.600 -0.081 0.000 1.396 818 M HN 0.486 nan 8.290 nan 0.000 0.430 819 G N 0.710 109.503 108.800 -0.011 0.000 2.976 819 G HA2 -0.241 3.716 3.960 -0.006 0.000 0.211 819 G HA3 -0.241 3.716 3.960 -0.006 0.000 0.211 819 G C 0.848 175.759 174.900 0.018 0.000 1.319 819 G CA 0.819 45.952 45.100 0.054 0.000 0.773 819 G HN 0.562 nan 8.290 nan 0.000 0.769 820 G N -0.516 108.300 108.800 0.026 0.000 3.064 820 G HA2 0.460 4.417 3.960 -0.006 0.000 0.286 820 G HA3 0.460 4.417 3.960 -0.006 0.000 0.286 820 G C 0.637 175.512 174.900 -0.041 0.000 0.834 820 G CA 0.294 45.394 45.100 -0.000 0.000 1.856 820 G HN 0.562 nan 8.290 nan 0.000 0.559 821 R N 1.060 121.533 120.500 -0.046 0.000 2.306 821 R HA 0.151 4.487 4.340 -0.006 0.000 0.183 821 R C 1.870 178.150 176.300 -0.033 0.000 0.937 821 R CA 0.730 56.797 56.100 -0.055 0.000 1.118 821 R CB -0.436 29.823 30.300 -0.067 0.000 1.224 821 R HN 0.351 nan 8.270 nan 0.000 0.597 822 E N -0.043 120.141 120.200 -0.027 0.000 2.048 822 E HA -0.193 4.154 4.350 -0.006 0.000 0.202 822 E C 1.587 178.180 176.600 -0.012 0.000 1.021 822 E CA 2.121 58.512 56.400 -0.016 0.000 0.825 822 E CB -0.610 29.084 29.700 -0.011 0.000 0.756 822 E HN 0.443 nan 8.360 nan 0.000 0.454 823 G N 1.476 110.271 108.800 -0.008 0.000 2.639 823 G HA2 -0.319 3.638 3.960 -0.006 0.000 0.216 823 G HA3 -0.319 3.638 3.960 -0.006 0.000 0.216 823 G C 1.595 176.490 174.900 -0.010 0.000 1.267 823 G CA 1.210 46.307 45.100 -0.004 0.000 0.801 823 G HN 0.320 nan 8.290 nan 0.000 0.592 824 L N 0.195 121.409 121.223 -0.015 0.000 2.113 824 L HA -0.244 4.093 4.340 -0.006 0.000 0.221 824 L C 2.882 179.742 176.870 -0.016 0.000 1.084 824 L CA 1.080 55.910 54.840 -0.018 0.000 0.787 824 L CB -0.476 41.568 42.059 -0.025 0.000 0.893 824 L HN 0.245 nan 8.230 nan 0.000 0.440 825 I N 0.459 121.020 120.570 -0.016 0.000 2.086 825 I HA -0.275 3.891 4.170 -0.006 0.000 0.233 825 I C 2.338 178.448 176.117 -0.012 0.000 1.060 825 I CA 2.036 63.327 61.300 -0.014 0.000 1.326 825 I CB -1.578 36.413 38.000 -0.014 0.000 1.067 825 I HN 0.379 nan 8.210 nan 0.000 0.398 826 D N 0.432 120.827 120.400 -0.009 0.000 2.172 826 D HA -0.201 4.436 4.640 -0.006 0.000 0.196 826 D C 1.846 178.142 176.300 -0.008 0.000 0.999 826 D CA 1.829 55.825 54.000 -0.007 0.000 0.856 826 D CB -1.004 39.794 40.800 -0.004 0.000 0.934 826 D HN 0.237 nan 8.370 nan 0.000 0.453 827 T N 0.417 114.966 114.554 -0.009 0.000 2.570 827 T HA -0.241 4.106 4.350 -0.006 0.000 0.266 827 T C 1.976 176.669 174.700 -0.011 0.000 1.071 827 T CA 2.274 64.368 62.100 -0.009 0.000 1.172 827 T CB -0.782 68.080 68.868 -0.010 0.000 0.864 827 T HN 0.430 nan 8.240 nan 0.000 0.421 828 A N -0.079 122.734 122.820 -0.012 0.000 2.264 828 A HA 0.212 4.529 4.320 -0.006 0.000 0.207 828 A C 2.093 179.668 177.584 -0.015 0.000 1.196 828 A CA 0.566 52.595 52.037 -0.014 0.000 0.778 828 A CB -0.371 18.620 19.000 -0.015 0.000 0.779 828 A HN 0.387 nan 8.150 nan 0.000 0.483 829 V N -2.031 117.875 119.914 -0.012 0.000 3.371 829 V HA 0.033 4.150 4.120 -0.006 0.000 0.246 829 V C 2.129 178.219 176.094 -0.007 0.000 1.303 829 V CA 1.101 63.394 62.300 -0.012 0.000 1.156 829 V CB 0.358 32.173 31.823 -0.012 0.000 0.929 829 V HN 0.372 nan 8.190 nan 0.000 0.459 830 K N 0.419 120.816 120.400 -0.005 0.000 2.032 830 K HA -0.149 4.168 4.320 -0.006 0.000 0.209 830 K C 2.017 178.617 176.600 -0.001 0.000 1.048 830 K CA 2.243 58.528 56.287 -0.002 0.000 0.927 830 K CB -0.843 31.654 32.500 -0.005 0.000 0.712 830 K HN 0.358 nan 8.250 nan 0.000 0.441 831 T N -0.173 114.378 114.554 -0.005 0.000 2.946 831 T HA -0.099 4.248 4.350 -0.006 0.000 0.271 831 T C 1.381 176.080 174.700 -0.001 0.000 1.104 831 T CA 1.216 63.312 62.100 -0.005 0.000 1.114 831 T CB -0.124 68.738 68.868 -0.009 0.000 0.867 831 T HN 0.368 nan 8.240 nan 0.000 0.513 832 A N 0.253 123.072 122.820 -0.001 0.000 1.970 832 A HA 0.265 4.581 4.320 -0.006 0.000 0.204 832 A C 1.998 179.597 177.584 0.026 0.000 1.325 832 A CA 0.415 52.451 52.037 -0.002 0.000 0.767 832 A CB -0.222 18.760 19.000 -0.030 0.000 0.949 832 A HN 0.397 nan 8.150 nan 0.000 0.481 833 E N 0.018 120.233 120.200 0.024 0.000 2.035 833 E HA -0.204 4.143 4.350 -0.006 0.000 0.204 833 E C 2.052 178.702 176.600 0.082 0.000 1.025 833 E CA 2.356 58.790 56.400 0.056 0.000 0.835 833 E CB -0.255 29.466 29.700 0.034 0.000 0.764 833 E HN 0.609 nan 8.360 nan 0.000 0.457 834 T N -0.221 114.359 114.554 0.044 0.000 2.570 834 T HA -0.237 4.110 4.350 -0.006 0.000 0.266 834 T C 1.885 176.616 174.700 0.052 0.000 1.071 834 T CA 1.442 63.562 62.100 0.032 0.000 1.172 834 T CB -1.092 67.778 68.868 0.003 0.000 0.864 834 T HN 0.445 nan 8.240 nan 0.000 0.421 835 G N -0.049 108.782 108.800 0.051 0.000 2.517 835 G HA2 -0.298 3.659 3.960 -0.006 0.000 0.222 835 G HA3 -0.298 3.659 3.960 -0.006 0.000 0.222 835 G C 1.396 176.380 174.900 0.140 0.000 1.109 835 G CA 1.036 46.175 45.100 0.064 0.000 0.746 835 G HN 0.508 nan 8.290 nan 0.000 0.576 836 Y N 1.212 121.512 120.300 0.000 0.000 2.184 836 Y HA -0.004 4.542 4.550 -0.006 0.000 0.290 836 Y C 2.662 178.588 175.900 0.044 0.000 1.129 836 Y CA -0.074 58.037 58.100 0.018 0.000 1.144 836 Y CB -0.324 38.139 38.460 0.005 0.000 0.995 836 Y HN 0.070 nan 8.280 nan 0.000 0.513 837 I N 0.609 121.236 120.570 0.096 0.000 2.094 837 I HA -0.415 3.751 4.170 -0.006 0.000 0.236 837 I C 2.334 178.438 176.117 -0.023 0.000 1.016 837 I CA 1.971 63.268 61.300 -0.005 0.000 1.294 837 I CB -1.594 36.408 38.000 0.005 0.000 1.006 837 I HN 0.302 nan 8.210 nan 0.000 0.397 838 Q N 0.459 120.255 119.800 -0.006 0.000 2.585 838 Q HA -0.183 4.154 4.340 -0.006 0.000 0.219 838 Q C 2.084 178.082 176.000 -0.003 0.000 0.984 838 Q CA 1.039 56.826 55.803 -0.025 0.000 0.915 838 Q CB -0.009 28.708 28.738 -0.034 0.000 0.967 838 Q HN 0.474 nan 8.270 nan 0.000 0.530 839 R N -1.066 119.451 120.500 0.029 0.000 2.121 839 R HA 0.106 4.443 4.340 -0.006 0.000 0.206 839 R C 2.041 178.399 176.300 0.096 0.000 1.094 839 R CA 0.206 56.355 56.100 0.081 0.000 1.055 839 R CB 0.353 30.748 30.300 0.158 0.000 0.964 839 R HN 0.120 nan 8.270 nan 0.000 0.473 840 R N 0.434 120.973 120.500 0.065 0.000 2.093 840 R HA 0.056 4.392 4.340 -0.006 0.000 0.224 840 R C 2.303 178.586 176.300 -0.028 0.000 1.101 840 R CA 0.760 56.946 56.100 0.143 0.000 0.979 840 R CB -0.258 30.101 30.300 0.099 0.000 0.877 840 R HN 0.136 nan 8.270 nan 0.000 0.441 841 L N 0.610 121.802 121.223 -0.052 0.000 2.013 841 L HA -0.223 4.114 4.340 -0.006 0.000 0.212 841 L C 2.239 179.017 176.870 -0.153 0.000 1.073 841 L CA 1.516 56.300 54.840 -0.094 0.000 0.753 841 L CB -0.382 41.629 42.059 -0.080 0.000 0.890 841 L HN 0.106 nan 8.230 nan 0.000 0.432 842 V N -0.852 118.987 119.914 -0.124 0.000 2.379 842 V HA -0.194 3.922 4.120 -0.006 0.000 0.245 842 V C 2.261 178.232 176.094 -0.204 0.000 1.044 842 V CA 1.334 63.554 62.300 -0.134 0.000 1.036 842 V CB -0.449 31.331 31.823 -0.073 0.000 0.664 842 V HN 0.341 nan 8.190 nan 0.000 0.453 843 K N 0.008 120.271 120.400 -0.228 0.000 2.525 843 K HA 0.161 4.477 4.320 -0.006 0.000 0.192 843 K C 1.785 177.892 176.600 -0.823 0.000 1.029 843 K CA 0.968 57.039 56.287 -0.360 0.000 1.029 843 K CB 0.135 32.532 32.500 -0.172 0.000 0.814 843 K HN 0.500 nan 8.250 nan 0.000 0.503 844 A N 0.532 122.752 122.820 -1.000 0.000 1.944 844 A HA 0.106 4.423 4.320 -0.006 0.000 0.207 844 A C 2.073 179.334 177.584 -0.538 0.000 1.265 844 A CA 0.058 51.384 52.037 -1.185 0.000 0.712 844 A CB -0.183 18.081 19.000 -1.226 0.000 0.915 844 A HN 0.060 nan 8.150 nan 0.000 0.470 845 L N -0.957 120.048 121.223 -0.364 0.000 1.948 845 L HA -0.194 4.143 4.340 -0.006 0.000 0.212 845 L C 2.043 178.799 176.870 -0.191 0.000 1.074 845 L CA 2.080 56.792 54.840 -0.212 0.000 0.753 845 L CB -0.859 41.112 42.059 -0.148 0.000 0.888 845 L HN 0.722 nan 8.230 nan 0.000 0.432 846 E N 0.504 120.595 120.200 -0.181 0.000 3.681 846 E HA -0.417 3.930 4.350 -0.006 0.000 0.444 846 E C 1.025 177.552 176.600 -0.122 0.000 1.570 846 E CA 2.273 58.584 56.400 -0.149 0.000 1.415 846 E CB -0.998 28.594 29.700 -0.179 0.000 1.310 846 E HN 0.753 nan 8.360 nan 0.000 0.346 847 D N 1.099 121.426 120.400 -0.121 0.000 2.348 847 D HA -0.050 4.586 4.640 -0.006 0.000 0.248 847 D C 0.546 176.786 176.300 -0.099 0.000 1.142 847 D CA 0.331 54.270 54.000 -0.102 0.000 0.904 847 D CB -0.351 40.399 40.800 -0.084 0.000 0.901 847 D HN 0.173 nan 8.370 nan 0.000 0.523 848 I N 1.293 121.806 120.570 -0.096 0.000 2.472 848 I HA 0.337 4.503 4.170 -0.006 0.000 0.290 848 I C 0.676 176.732 176.117 -0.102 0.000 1.016 848 I CA -0.635 60.618 61.300 -0.078 0.000 1.348 848 I CB 0.588 38.559 38.000 -0.047 0.000 1.417 848 I HN 0.139 nan 8.210 nan 0.000 0.521 849 M N 4.605 124.125 119.600 -0.135 0.000 2.323 849 M HA 0.377 4.853 4.480 -0.006 0.000 0.278 849 M C -1.587 174.576 176.300 -0.229 0.000 1.069 849 M CA -0.725 54.455 55.300 -0.201 0.000 0.950 849 M CB 1.317 33.748 32.600 -0.281 0.000 1.879 849 M HN 0.002 nan 8.290 nan 0.000 0.491 850 V N 4.846 124.669 119.914 -0.153 0.000 2.475 850 V HA 0.051 4.168 4.120 -0.006 0.000 0.292 850 V C 0.747 176.780 176.094 -0.102 0.000 1.003 850 V CA 0.602 62.864 62.300 -0.063 0.000 1.120 850 V CB -1.016 30.756 31.823 -0.084 0.000 0.937 850 V HN 0.804 nan 8.190 nan 0.000 0.476 851 H N 3.584 122.634 119.070 -0.032 0.000 2.437 851 H HA 0.190 4.743 4.556 -0.006 0.000 0.338 851 H C 0.306 175.644 175.328 0.017 0.000 1.495 851 H CA -0.435 55.575 56.048 -0.062 0.000 1.453 851 H CB 0.671 30.434 29.762 0.002 0.000 1.707 851 H HN 0.585 nan 8.280 nan 0.000 0.655 852 Y N 0.896 121.336 120.300 0.234 0.000 2.618 852 Y HA -0.117 4.430 4.550 -0.006 0.000 0.351 852 Y C 0.488 176.449 175.900 0.101 0.000 1.221 852 Y CA 0.112 58.293 58.100 0.135 0.000 1.248 852 Y CB -0.159 38.375 38.460 0.123 0.000 1.119 852 Y HN 0.541 nan 8.280 nan 0.000 0.483 853 D N -3.124 117.428 120.400 0.254 0.000 2.712 853 D HA -0.023 4.613 4.640 -0.006 0.000 0.300 853 D C 0.154 176.555 176.300 0.169 0.000 1.521 853 D CA -0.292 53.812 54.000 0.174 0.000 0.790 853 D CB -0.825 40.053 40.800 0.131 0.000 1.155 853 D HN -0.013 nan 8.370 nan 0.000 0.456 854 N N -0.443 118.365 118.700 0.180 0.000 2.627 854 N HA -0.216 4.521 4.740 -0.006 0.000 0.248 854 N C -0.206 175.412 175.510 0.180 0.000 1.173 854 N CA 1.421 54.571 53.050 0.168 0.000 0.741 854 N CB -0.796 37.785 38.487 0.156 0.000 1.128 854 N HN 0.477 nan 8.380 nan 0.000 0.562 855 T N -0.723 113.941 114.554 0.182 0.000 2.732 855 T HA 0.269 4.616 4.350 -0.006 0.000 0.287 855 T C 0.258 175.052 174.700 0.157 0.000 0.993 855 T CA 0.477 62.682 62.100 0.176 0.000 0.966 855 T CB 0.875 69.840 68.868 0.161 0.000 1.047 855 T HN 0.076 nan 8.240 nan 0.000 0.527 856 T N 2.975 117.591 114.554 0.104 0.000 3.103 856 T HA 0.433 4.780 4.350 -0.006 0.000 0.352 856 T C -0.844 173.882 174.700 0.043 0.000 1.048 856 T CA -0.648 61.507 62.100 0.093 0.000 1.175 856 T CB 0.131 69.067 68.868 0.112 0.000 1.029 856 T HN 0.604 nan 8.240 nan 0.000 0.498 857 R N 1.575 122.136 120.500 0.101 0.000 2.888 857 R HA 0.617 4.953 4.340 -0.006 0.000 0.264 857 R C 0.091 176.433 176.300 0.070 0.000 1.045 857 R CA -1.320 54.820 56.100 0.067 0.000 0.962 857 R CB 1.362 31.703 30.300 0.067 0.000 1.210 857 R HN 0.540 nan 8.270 nan 0.000 0.479 858 N N -0.605 118.113 118.700 0.030 0.000 2.374 858 N HA 0.015 4.751 4.740 -0.006 0.000 0.284 858 N C 0.449 175.988 175.510 0.049 0.000 1.280 858 N CA -0.345 52.711 53.050 0.009 0.000 0.963 858 N CB 0.597 39.071 38.487 -0.022 0.000 1.141 858 N HN 0.617 nan 8.380 nan 0.000 0.565 859 S N -0.275 115.435 115.700 0.016 0.000 2.420 859 S HA -0.143 4.324 4.470 -0.006 0.000 0.237 859 S C 1.819 176.437 174.600 0.030 0.000 1.023 859 S CA 0.861 59.076 58.200 0.026 0.000 0.991 859 S CB -0.658 62.542 63.200 0.000 0.000 0.792 859 S HN 0.503 nan 8.310 nan 0.000 0.488 860 L N 0.602 121.837 121.223 0.020 0.000 2.270 860 L HA 0.228 4.565 4.340 -0.006 0.000 0.210 860 L C 2.204 179.082 176.870 0.012 0.000 1.104 860 L CA 0.699 55.548 54.840 0.015 0.000 0.804 860 L CB -0.658 41.406 42.059 0.009 0.000 0.937 860 L HN 0.621 nan 8.230 nan 0.000 0.450 861 G N -0.620 108.190 108.800 0.017 0.000 2.195 861 G HA2 -0.238 3.718 3.960 -0.006 0.000 0.224 861 G HA3 -0.238 3.718 3.960 -0.006 0.000 0.224 861 G C 0.018 174.915 174.900 -0.005 0.000 0.990 861 G CA -0.276 44.820 45.100 -0.007 0.000 0.639 861 G HN 0.340 nan 8.290 nan 0.000 0.514 862 N N 1.344 120.042 118.700 -0.002 0.000 2.423 862 N HA 0.370 5.107 4.740 -0.006 0.000 0.275 862 N C 0.712 176.195 175.510 -0.046 0.000 1.283 862 N CA 0.184 53.224 53.050 -0.017 0.000 0.932 862 N CB 1.167 39.646 38.487 -0.013 0.000 1.185 862 N HN 0.289 nan 8.380 nan 0.000 0.483 863 V N 3.133 122.999 119.914 -0.081 0.000 3.178 863 V HA -0.034 4.083 4.120 -0.006 0.000 0.306 863 V C 1.357 177.306 176.094 -0.241 0.000 1.107 863 V CA 0.493 62.683 62.300 -0.185 0.000 1.195 863 V CB 0.533 32.162 31.823 -0.324 0.000 0.993 863 V HN 0.575 nan 8.190 nan 0.000 0.493 864 I N 0.992 121.402 120.570 -0.266 0.000 4.193 864 I HA 0.239 4.406 4.170 -0.006 0.000 0.287 864 I C 0.542 176.509 176.117 -0.251 0.000 1.175 864 I CA 0.628 61.806 61.300 -0.203 0.000 1.320 864 I CB -0.015 37.926 38.000 -0.099 0.000 1.523 864 I HN 0.553 nan 8.210 nan 0.000 0.450 865 Q N -0.086 119.578 119.800 -0.227 0.000 2.337 865 Q HA 0.410 4.747 4.340 -0.006 0.000 0.270 865 Q C -0.390 175.523 176.000 -0.145 0.000 1.043 865 Q CA -0.440 55.280 55.803 -0.140 0.000 0.794 865 Q CB 2.794 31.525 28.738 -0.013 0.000 1.281 865 Q HN 0.081 nan 8.270 nan 0.000 0.446 866 F N 1.583 121.573 119.950 0.067 0.000 2.780 866 F HA 0.216 4.740 4.527 -0.006 0.000 0.299 866 F C 0.482 176.333 175.800 0.085 0.000 1.146 866 F CA 0.530 58.572 58.000 0.070 0.000 1.428 866 F CB 0.666 39.699 39.000 0.055 0.000 1.115 866 F HN 0.312 nan 8.300 nan 0.000 0.583 867 I N -1.430 119.281 120.570 0.234 0.000 2.667 867 I HA 0.074 4.240 4.170 -0.006 0.000 0.288 867 I C -1.024 175.204 176.117 0.185 0.000 1.267 867 I CA -1.225 60.195 61.300 0.201 0.000 1.055 867 I CB 1.039 39.142 38.000 0.171 0.000 1.294 867 I HN -0.249 nan 8.210 nan 0.000 0.429 868 Y N 5.660 126.010 120.300 0.084 0.000 2.811 868 Y HA 0.230 4.776 4.550 -0.006 0.000 0.334 868 Y C 1.515 177.460 175.900 0.075 0.000 1.247 868 Y CA 1.852 59.988 58.100 0.061 0.000 1.526 868 Y CB 0.696 39.181 38.460 0.041 0.000 1.284 868 Y HN 0.899 nan 8.280 nan 0.000 0.586 869 G N 3.498 111.963 108.800 -0.558 0.000 2.205 869 G HA2 -0.418 3.539 3.960 -0.006 0.000 0.269 869 G HA3 -0.418 3.539 3.960 -0.006 0.000 0.269 869 G C 0.597 175.475 174.900 -0.036 0.000 0.977 869 G CA 0.892 45.785 45.100 -0.345 0.000 0.652 869 G HN 0.977 nan 8.290 nan 0.000 0.539 870 E N -2.100 118.112 120.200 0.021 0.000 4.129 870 E HA -0.254 4.093 4.350 -0.006 0.000 0.354 870 E C 0.680 177.323 176.600 0.070 0.000 0.673 870 E CA 1.474 57.913 56.400 0.065 0.000 1.347 870 E CB -1.118 28.614 29.700 0.053 0.000 1.722 870 E HN 0.841 nan 8.360 nan 0.000 0.410 871 D N -0.992 119.452 120.400 0.074 0.000 2.538 871 D HA 0.183 4.819 4.640 -0.006 0.000 0.241 871 D C 0.916 177.287 176.300 0.117 0.000 1.297 871 D CA 0.476 54.534 54.000 0.097 0.000 0.804 871 D CB -0.145 40.705 40.800 0.083 0.000 1.122 871 D HN 0.244 nan 8.370 nan 0.000 0.519 872 G N 1.042 109.937 108.800 0.159 0.000 2.421 872 G HA2 -0.268 3.688 3.960 -0.006 0.000 0.300 872 G HA3 -0.268 3.688 3.960 -0.006 0.000 0.300 872 G C -0.238 174.758 174.900 0.160 0.000 0.974 872 G CA 0.792 46.014 45.100 0.203 0.000 1.062 872 G HN 0.345 nan 8.290 nan 0.000 0.514 873 M N 0.579 120.288 119.600 0.180 0.000 2.321 873 M HA 0.373 4.850 4.480 -0.006 0.000 0.315 873 M C -0.191 176.230 176.300 0.202 0.000 1.052 873 M CA -1.694 53.665 55.300 0.098 0.000 0.936 873 M CB 1.708 34.306 32.600 -0.004 0.000 1.639 873 M HN 0.244 nan 8.290 nan 0.000 0.433 874 D N 2.626 123.119 120.400 0.155 0.000 2.424 874 D HA 0.160 4.797 4.640 -0.006 0.000 0.244 874 D C 0.634 176.987 176.300 0.088 0.000 1.134 874 D CA 0.351 54.418 54.000 0.111 0.000 0.881 874 D CB 1.420 42.238 40.800 0.030 0.000 1.191 874 D HN 0.781 nan 8.370 nan 0.000 0.445 875 A N 4.306 127.182 122.820 0.093 0.000 1.978 875 A HA -0.107 4.210 4.320 -0.006 0.000 0.220 875 A C 2.168 179.751 177.584 -0.002 0.000 1.170 875 A CA 2.052 54.124 52.037 0.059 0.000 0.636 875 A CB -0.617 18.421 19.000 0.065 0.000 0.810 875 A HN 0.718 nan 8.150 nan 0.000 0.448 876 A N -0.829 121.916 122.820 -0.124 0.000 1.883 876 A HA -0.214 4.102 4.320 -0.006 0.000 0.217 876 A C 1.875 179.356 177.584 -0.171 0.000 1.186 876 A CA 1.569 53.474 52.037 -0.219 0.000 0.624 876 A CB -0.977 17.785 19.000 -0.397 0.000 0.822 876 A HN 0.636 nan 8.150 nan 0.000 0.444 877 H N -0.451 118.622 119.070 0.005 0.000 2.568 877 H HA 0.121 4.674 4.556 -0.006 0.000 0.281 877 H C 0.254 175.608 175.328 0.043 0.000 1.028 877 H CA 0.474 56.528 56.048 0.009 0.000 1.199 877 H CB -0.533 29.200 29.762 -0.048 0.000 1.352 877 H HN 0.442 nan 8.280 nan 0.000 0.605 878 I N 1.083 121.743 120.570 0.151 0.000 2.577 878 I HA 0.260 4.427 4.170 -0.006 0.000 0.305 878 I C -0.138 176.065 176.117 0.143 0.000 0.986 878 I CA -0.585 60.799 61.300 0.141 0.000 1.189 878 I CB 1.724 39.803 38.000 0.131 0.000 1.355 878 I HN 0.012 nan 8.210 nan 0.000 0.476 879 E N 2.945 123.208 120.200 0.105 0.000 2.363 879 E HA 0.278 4.625 4.350 -0.006 0.000 0.281 879 E C -1.417 175.209 176.600 0.043 0.000 0.953 879 E CA -1.180 55.249 56.400 0.047 0.000 0.778 879 E CB 1.771 31.424 29.700 -0.078 0.000 1.220 879 E HN 0.338 nan 8.360 nan 0.000 0.431 880 K N 2.234 122.644 120.400 0.017 0.000 2.437 880 K HA -0.048 4.269 4.320 -0.006 0.000 0.277 880 K C -0.661 175.918 176.600 -0.035 0.000 1.073 880 K CA 1.045 57.312 56.287 -0.033 0.000 1.105 880 K CB 0.264 32.731 32.500 -0.056 0.000 0.881 880 K HN 0.386 nan 8.250 nan 0.000 0.475 881 Q N 1.406 121.194 119.800 -0.019 0.000 2.501 881 Q HA 0.283 4.620 4.340 -0.006 0.000 0.288 881 Q C -1.127 174.866 176.000 -0.012 0.000 1.051 881 Q CA -1.017 54.779 55.803 -0.011 0.000 0.788 881 Q CB 2.085 30.831 28.738 0.013 0.000 1.469 881 Q HN 0.688 nan 8.270 nan 0.000 0.416 882 S N 0.311 116.004 115.700 -0.012 0.000 2.651 882 S HA 0.658 5.124 4.470 -0.006 0.000 0.291 882 S C -0.678 173.922 174.600 0.000 0.000 1.141 882 S CA -0.711 57.487 58.200 -0.003 0.000 1.027 882 S CB 0.577 63.770 63.200 -0.012 0.000 1.043 882 S HN 0.513 nan 8.310 nan 0.000 0.530 883 L N 2.574 123.797 121.223 -0.001 0.000 2.297 883 L HA 0.368 4.705 4.340 -0.006 0.000 0.277 883 L C -0.565 176.298 176.870 -0.012 0.000 1.040 883 L CA -0.697 54.121 54.840 -0.036 0.000 0.867 883 L CB 0.826 42.821 42.059 -0.107 0.000 1.244 883 L HN 0.718 nan 8.230 nan 0.000 0.433 884 D N -0.557 119.851 120.400 0.014 0.000 2.346 884 D HA -0.043 4.593 4.640 -0.006 0.000 0.248 884 D C 1.307 177.607 176.300 0.001 0.000 1.173 884 D CA 0.150 54.167 54.000 0.028 0.000 0.878 884 D CB 0.003 40.842 40.800 0.065 0.000 0.919 884 D HN 0.367 nan 8.370 nan 0.000 0.513 885 T N -0.157 114.396 114.554 -0.001 0.000 2.983 885 T HA 0.025 4.371 4.350 -0.006 0.000 0.250 885 T C 1.911 176.664 174.700 0.088 0.000 1.037 885 T CA -0.218 61.881 62.100 -0.001 0.000 1.142 885 T CB 0.232 69.125 68.868 0.042 0.000 0.876 885 T HN 0.070 nan 8.240 nan 0.000 0.455 886 I N 1.972 122.578 120.570 0.059 0.000 2.087 886 I HA -0.101 4.065 4.170 -0.006 0.000 0.240 886 I C 1.810 178.026 176.117 0.165 0.000 1.054 886 I CA 1.420 62.777 61.300 0.095 0.000 1.311 886 I CB -1.544 36.470 38.000 0.023 0.000 1.024 886 I HN 0.275 nan 8.210 nan 0.000 0.402 887 G N -1.568 107.302 108.800 0.116 0.000 2.531 887 G HA2 0.476 4.433 3.960 -0.006 0.000 0.281 887 G HA3 0.476 4.433 3.960 -0.006 0.000 0.281 887 G C 0.023 175.020 174.900 0.162 0.000 1.382 887 G CA 0.150 45.358 45.100 0.180 0.000 1.045 887 G HN 0.691 nan 8.290 nan 0.000 0.533 888 G N -0.930 107.965 108.800 0.158 0.000 3.408 888 G HA2 0.185 4.141 3.960 -0.006 0.000 0.676 888 G HA3 0.185 4.141 3.960 -0.006 0.000 0.676 888 G C 0.509 175.456 174.900 0.079 0.000 1.517 888 G CA 0.366 45.527 45.100 0.101 0.000 1.245 888 G HN 1.928 nan 8.290 nan 0.000 0.597 889 S N 0.530 116.259 115.700 0.049 0.000 3.342 889 S HA -0.203 4.263 4.470 -0.006 0.000 0.313 889 S C 0.948 175.558 174.600 0.017 0.000 1.554 889 S CA 0.910 59.127 58.200 0.028 0.000 1.273 889 S CB 0.330 63.555 63.200 0.040 0.000 0.575 889 S HN 0.825 nan 8.310 nan 0.000 0.378 890 D N 0.049 120.439 120.400 -0.017 0.000 2.423 890 D HA 0.286 4.923 4.640 -0.006 0.000 0.212 890 D C 1.923 178.231 176.300 0.013 0.000 1.060 890 D CA 0.729 54.681 54.000 -0.080 0.000 0.872 890 D CB -0.010 40.725 40.800 -0.107 0.000 1.012 890 D HN 0.515 nan 8.370 nan 0.000 0.503 891 A N 1.181 124.022 122.820 0.035 0.000 1.854 891 A HA 0.054 4.370 4.320 -0.006 0.000 0.214 891 A C 2.153 179.788 177.584 0.085 0.000 1.192 891 A CA 1.800 53.870 52.037 0.055 0.000 0.611 891 A CB -0.402 18.618 19.000 0.034 0.000 0.832 891 A HN 0.177 nan 8.150 nan 0.000 0.442 892 A N -1.788 121.081 122.820 0.083 0.000 2.178 892 A HA 0.256 4.572 4.320 -0.006 0.000 0.211 892 A C 1.831 179.469 177.584 0.091 0.000 1.157 892 A CA 0.772 52.855 52.037 0.076 0.000 0.780 892 A CB -0.625 18.407 19.000 0.053 0.000 0.828 892 A HN 0.712 nan 8.150 nan 0.000 0.476 893 F N 0.626 120.522 119.950 -0.089 0.000 2.206 893 F HA -0.053 4.471 4.527 -0.006 0.000 0.298 893 F C 1.980 177.675 175.800 -0.176 0.000 1.090 893 F CA 1.791 59.657 58.000 -0.223 0.000 1.323 893 F CB 0.075 38.924 39.000 -0.252 0.000 1.028 893 F HN 0.359 nan 8.300 nan 0.000 0.492 894 E N 0.908 121.366 120.200 0.431 0.000 2.016 894 E HA -0.187 4.160 4.350 -0.006 0.000 0.190 894 E C 1.886 178.584 176.600 0.163 0.000 0.985 894 E CA 0.820 57.448 56.400 0.381 0.000 0.802 894 E CB -0.212 29.657 29.700 0.283 0.000 0.762 894 E HN 0.298 nan 8.360 nan 0.000 0.448 895 K N -0.135 120.321 120.400 0.093 0.000 2.587 895 K HA -0.180 4.136 4.320 -0.006 0.000 0.196 895 K C 1.761 178.394 176.600 0.055 0.000 1.046 895 K CA 0.786 57.100 56.287 0.045 0.000 0.930 895 K CB 0.070 32.599 32.500 0.049 0.000 0.771 895 K HN 0.080 nan 8.250 nan 0.000 0.492 896 R N -2.032 118.524 120.500 0.093 0.000 2.562 896 R HA 0.068 4.404 4.340 -0.006 0.000 0.191 896 R C 0.679 177.160 176.300 0.301 0.000 0.835 896 R CA 0.353 56.549 56.100 0.160 0.000 1.036 896 R CB 0.559 30.976 30.300 0.195 0.000 1.437 896 R HN 0.120 nan 8.270 nan 0.000 0.654 897 Y N 0.225 120.416 120.300 -0.182 0.000 2.481 897 Y HA 0.327 4.873 4.550 -0.006 0.000 0.247 897 Y C 0.405 176.394 175.900 0.148 0.000 1.151 897 Y CA -0.784 57.216 58.100 -0.167 0.000 1.238 897 Y CB 0.025 38.206 38.460 -0.464 0.000 1.179 897 Y HN -0.232 nan 8.280 nan 0.000 0.524 898 R N 1.455 122.239 120.500 0.472 0.000 2.248 898 R HA 0.459 4.796 4.340 -0.006 0.000 0.328 898 R C -1.442 174.933 176.300 0.124 0.000 1.067 898 R CA -0.437 55.935 56.100 0.453 0.000 0.924 898 R CB -0.017 30.429 30.300 0.244 0.000 1.013 898 R HN -0.066 nan 8.270 nan 0.000 0.454 899 V N 5.608 125.574 119.914 0.087 0.000 2.462 899 V HA 0.229 4.345 4.120 -0.006 0.000 0.288 899 V C -0.913 175.179 176.094 -0.004 0.000 1.020 899 V CA -0.863 61.451 62.300 0.023 0.000 0.857 899 V CB 1.559 33.395 31.823 0.022 0.000 1.013 899 V HN 0.721 nan 8.190 nan 0.000 0.431 900 D N 3.334 123.731 120.400 -0.005 0.000 2.163 900 D HA 0.565 5.201 4.640 -0.006 0.000 0.248 900 D C 0.403 176.718 176.300 0.024 0.000 1.035 900 D CA -0.158 53.844 54.000 0.005 0.000 0.872 900 D CB 2.172 43.000 40.800 0.046 0.000 1.183 900 D HN 0.289 nan 8.370 nan 0.000 0.445 901 L N 1.881 123.109 121.223 0.008 0.000 2.496 901 L HA 0.232 4.569 4.340 -0.006 0.000 0.189 901 L C 0.376 177.249 176.870 0.005 0.000 1.308 901 L CA -0.399 54.444 54.840 0.005 0.000 0.912 901 L CB -0.634 41.422 42.059 -0.005 0.000 1.148 901 L HN 0.357 nan 8.230 nan 0.000 0.537 902 L N 2.260 123.481 121.223 -0.004 0.000 2.949 902 L HA -0.078 4.259 4.340 -0.006 0.000 0.293 902 L C -0.386 176.480 176.870 -0.007 0.000 1.021 902 L CA 0.506 55.341 54.840 -0.009 0.000 1.064 902 L CB -1.309 40.743 42.059 -0.011 0.000 1.524 902 L HN 0.542 nan 8.230 nan 0.000 0.435 903 N N 0.393 119.086 118.700 -0.013 0.000 5.332 903 N HA -0.123 4.614 4.740 -0.006 0.000 0.268 903 N C 0.543 176.039 175.510 -0.023 0.000 0.748 903 N CA 0.725 53.758 53.050 -0.028 0.000 1.826 903 N CB -0.793 37.682 38.487 -0.020 0.000 1.813 903 N HN 0.578 nan 8.380 nan 0.000 0.786 904 T N 0.152 114.691 114.554 -0.026 0.000 2.321 904 T HA -0.301 4.046 4.350 -0.006 0.000 0.224 904 T C 1.087 175.774 174.700 -0.021 0.000 1.498 904 T CA 2.420 64.508 62.100 -0.019 0.000 1.144 904 T CB -0.607 68.246 68.868 -0.025 0.000 0.853 904 T HN 0.595 nan 8.240 nan 0.000 0.411 905 D N -0.187 120.178 120.400 -0.058 0.000 2.558 905 D HA -0.173 4.463 4.640 -0.006 0.000 0.190 905 D C 1.365 177.674 176.300 0.015 0.000 1.047 905 D CA 1.764 55.722 54.000 -0.069 0.000 0.880 905 D CB -0.220 40.476 40.800 -0.172 0.000 0.926 905 D HN 0.549 nan 8.370 nan 0.000 0.465 906 H N -0.852 118.215 119.070 -0.006 0.000 2.610 906 H HA 0.288 4.841 4.556 -0.006 0.000 0.302 906 H C 0.166 175.490 175.328 -0.007 0.000 1.063 906 H CA 0.211 56.257 56.048 -0.004 0.000 1.159 906 H CB -0.676 29.080 29.762 -0.009 0.000 1.427 906 H HN 0.100 nan 8.280 nan 0.000 0.553 907 T N -0.841 113.771 114.554 0.097 0.000 2.892 907 T HA 0.392 4.738 4.350 -0.006 0.000 0.280 907 T C 0.846 175.562 174.700 0.027 0.000 1.004 907 T CA -0.973 61.158 62.100 0.050 0.000 0.950 907 T CB 1.382 70.264 68.868 0.023 0.000 1.309 907 T HN 0.046 nan 8.240 nan 0.000 0.592 908 L N 2.146 123.373 121.223 0.007 0.000 2.454 908 L HA 0.221 4.558 4.340 -0.006 0.000 0.284 908 L C 0.720 177.585 176.870 -0.008 0.000 1.139 908 L CA -0.471 54.363 54.840 -0.010 0.000 0.911 908 L CB -0.638 41.406 42.059 -0.024 0.000 1.262 908 L HN 0.698 nan 8.230 nan 0.000 0.453 909 D N 5.194 125.592 120.400 -0.003 0.000 2.144 909 D HA -0.111 4.526 4.640 -0.006 0.000 0.231 909 D C -1.765 174.528 176.300 -0.011 0.000 1.397 909 D CA -0.072 53.926 54.000 -0.003 0.000 0.898 909 D CB 0.617 41.417 40.800 0.000 0.000 1.338 909 D HN 0.268 nan 8.370 nan 0.000 0.530 910 P HA 0.166 nan 4.420 nan 0.000 0.282 910 P C 0.255 177.546 177.300 -0.015 0.000 1.373 910 P CA -0.037 63.054 63.100 -0.015 0.000 1.001 910 P CB 0.648 32.340 31.700 -0.012 0.000 1.489 911 S N -0.507 115.186 115.700 -0.012 0.000 2.425 911 S HA 0.022 4.489 4.470 -0.006 0.000 0.225 911 S C 1.490 176.080 174.600 -0.016 0.000 1.024 911 S CA 0.608 58.802 58.200 -0.009 0.000 0.951 911 S CB -0.775 62.424 63.200 -0.002 0.000 0.796 911 S HN -0.058 nan 8.310 nan 0.000 0.498 912 L N 0.736 121.946 121.223 -0.021 0.000 1.995 912 L HA 0.241 4.577 4.340 -0.006 0.000 0.206 912 L C 1.410 178.255 176.870 -0.043 0.000 1.098 912 L CA 0.057 54.877 54.840 -0.032 0.000 0.762 912 L CB -0.734 41.304 42.059 -0.036 0.000 0.900 912 L HN 0.308 nan 8.230 nan 0.000 0.441 913 L N 0.650 121.845 121.223 -0.046 0.000 2.476 913 L HA -0.032 4.305 4.340 -0.006 0.000 0.255 913 L C 1.205 178.049 176.870 -0.043 0.000 1.218 913 L CA 0.832 55.640 54.840 -0.054 0.000 0.819 913 L CB 0.593 42.618 42.059 -0.058 0.000 1.119 913 L HN 0.342 nan 8.230 nan 0.000 0.485 914 E N -0.577 119.595 120.200 -0.046 0.000 2.251 914 E HA 0.011 4.357 4.350 -0.006 0.000 0.194 914 E C 0.691 177.271 176.600 -0.034 0.000 0.964 914 E CA 0.326 56.704 56.400 -0.037 0.000 0.868 914 E CB 0.318 29.994 29.700 -0.040 0.000 0.828 914 E HN 0.705 nan 8.360 nan 0.000 0.481 915 S N 1.490 117.166 115.700 -0.039 0.000 3.033 915 S HA 0.118 4.585 4.470 -0.006 0.000 0.258 915 S C 1.067 175.649 174.600 -0.030 0.000 1.207 915 S CA 0.114 58.293 58.200 -0.035 0.000 1.248 915 S CB -0.123 63.053 63.200 -0.040 0.000 0.932 915 S HN 0.462 nan 8.310 nan 0.000 0.472 916 G N 2.997 111.781 108.800 -0.027 0.000 3.025 916 G HA2 -0.283 3.673 3.960 -0.006 0.000 0.219 916 G HA3 -0.283 3.673 3.960 -0.006 0.000 0.219 916 G C 0.801 175.690 174.900 -0.019 0.000 1.229 916 G CA 1.191 46.277 45.100 -0.022 0.000 0.764 916 G HN 0.799 nan 8.290 nan 0.000 0.857 917 S N 0.186 115.876 115.700 -0.016 0.000 2.460 917 S HA 0.480 4.946 4.470 -0.006 0.000 0.211 917 S C 0.160 174.751 174.600 -0.015 0.000 1.312 917 S CA 0.328 58.519 58.200 -0.014 0.000 1.256 917 S CB 1.046 64.239 63.200 -0.012 0.000 1.086 917 S HN 0.734 nan 8.310 nan 0.000 0.507 918 E N 0.789 120.979 120.200 -0.017 0.000 2.887 918 E HA 0.357 4.704 4.350 -0.006 0.000 0.206 918 E C 0.463 177.053 176.600 -0.018 0.000 0.983 918 E CA -0.336 56.054 56.400 -0.017 0.000 1.141 918 E CB 0.063 29.752 29.700 -0.018 0.000 1.061 918 E HN 0.492 nan 8.360 nan 0.000 0.468 919 I N -0.775 119.785 120.570 -0.018 0.000 5.007 919 I HA 0.134 4.300 4.170 -0.006 0.000 0.323 919 I C 0.775 176.883 176.117 -0.015 0.000 1.195 919 I CA -0.384 60.905 61.300 -0.018 0.000 1.407 919 I CB -0.511 37.477 38.000 -0.021 0.000 1.544 919 I HN 0.170 nan 8.210 nan 0.000 0.505 920 L N 3.695 124.910 121.223 -0.013 0.000 2.906 920 L HA -0.027 4.309 4.340 -0.006 0.000 0.292 920 L C 1.295 178.158 176.870 -0.011 0.000 1.130 920 L CA 1.704 56.538 54.840 -0.011 0.000 0.940 920 L CB -0.367 41.686 42.059 -0.010 0.000 1.336 920 L HN 0.696 nan 8.230 nan 0.000 0.469 921 G N 2.594 111.387 108.800 -0.011 0.000 4.731 921 G HA2 -0.310 3.647 3.960 -0.006 0.000 0.266 921 G HA3 -0.310 3.647 3.960 -0.006 0.000 0.266 921 G C 0.233 175.126 174.900 -0.012 0.000 1.635 921 G CA 0.200 45.293 45.100 -0.011 0.000 1.229 921 G HN 0.917 nan 8.290 nan 0.000 0.663 922 D N -0.470 119.922 120.400 -0.012 0.000 3.806 922 D HA -0.175 4.461 4.640 -0.006 0.000 0.263 922 D C 0.854 177.147 176.300 -0.012 0.000 2.111 922 D CA 1.921 55.913 54.000 -0.013 0.000 1.045 922 D CB -0.717 40.074 40.800 -0.015 0.000 0.921 922 D HN 0.969 nan 8.370 nan 0.000 1.075 923 L N -0.693 120.523 121.223 -0.012 0.000 4.639 923 L HA 0.081 4.418 4.340 -0.006 0.000 0.462 923 L C 0.786 177.650 176.870 -0.009 0.000 1.019 923 L CA -0.064 54.770 54.840 -0.010 0.000 1.733 923 L CB 0.077 42.130 42.059 -0.010 0.000 1.673 923 L HN 0.234 nan 8.230 nan 0.000 0.613 924 K N -0.128 120.266 120.400 -0.010 0.000 2.373 924 K HA 0.341 4.657 4.320 -0.006 0.000 0.202 924 K C 1.357 177.951 176.600 -0.009 0.000 1.025 924 K CA 0.130 56.412 56.287 -0.009 0.000 1.115 924 K CB 0.796 33.290 32.500 -0.009 0.000 0.858 924 K HN 0.147 nan 8.250 nan 0.000 0.525 925 L N -0.503 120.714 121.223 -0.011 0.000 2.488 925 L HA 0.072 4.409 4.340 -0.006 0.000 0.186 925 L C 1.573 178.438 176.870 -0.008 0.000 1.124 925 L CA 0.183 55.016 54.840 -0.012 0.000 0.838 925 L CB -0.337 41.712 42.059 -0.016 0.000 1.107 925 L HN 0.104 nan 8.230 nan 0.000 0.494 926 Q N 0.417 120.211 119.800 -0.009 0.000 2.585 926 Q HA -0.127 4.209 4.340 -0.006 0.000 0.219 926 Q C 1.858 177.854 176.000 -0.007 0.000 0.984 926 Q CA 0.862 56.659 55.803 -0.010 0.000 0.915 926 Q CB -0.322 28.408 28.738 -0.013 0.000 0.967 926 Q HN 0.275 nan 8.270 nan 0.000 0.530 927 V N -0.745 119.167 119.914 -0.004 0.000 2.685 927 V HA -0.078 4.039 4.120 -0.006 0.000 0.244 927 V C 1.957 178.056 176.094 0.008 0.000 1.054 927 V CA 0.690 62.990 62.300 0.001 0.000 1.076 927 V CB 0.064 31.887 31.823 -0.001 0.000 0.725 927 V HN 0.260 nan 8.190 nan 0.000 0.467 928 L N -1.132 120.094 121.223 0.005 0.000 2.084 928 L HA 0.007 4.343 4.340 -0.006 0.000 0.202 928 L C 2.326 179.211 176.870 0.024 0.000 1.074 928 L CA 0.907 55.754 54.840 0.010 0.000 0.757 928 L CB -0.384 41.675 42.059 -0.000 0.000 0.918 928 L HN 0.231 nan 8.230 nan 0.000 0.444 929 L N 0.024 121.258 121.223 0.019 0.000 2.211 929 L HA -0.318 4.019 4.340 -0.006 0.000 0.216 929 L C 2.086 179.000 176.870 0.073 0.000 1.092 929 L CA 1.554 56.417 54.840 0.039 0.000 0.767 929 L CB -0.957 41.114 42.059 0.020 0.000 0.894 929 L HN 0.413 nan 8.230 nan 0.000 0.437 930 D N -0.411 120.017 120.400 0.047 0.000 2.085 930 D HA -0.175 4.462 4.640 -0.006 0.000 0.199 930 D C 1.963 178.320 176.300 0.095 0.000 0.981 930 D CA 0.979 55.017 54.000 0.062 0.000 0.834 930 D CB -0.023 40.790 40.800 0.023 0.000 0.992 930 D HN 0.196 nan 8.370 nan 0.000 0.457 931 E N 1.513 121.750 120.200 0.062 0.000 2.113 931 E HA -0.256 4.091 4.350 -0.006 0.000 0.210 931 E C 1.811 178.459 176.600 0.079 0.000 1.040 931 E CA 1.619 58.053 56.400 0.058 0.000 0.847 931 E CB -0.190 29.531 29.700 0.035 0.000 0.755 931 E HN 0.296 nan 8.360 nan 0.000 0.459 932 E N -1.042 119.208 120.200 0.083 0.000 2.013 932 E HA -0.245 4.102 4.350 -0.006 0.000 0.202 932 E C 2.106 178.798 176.600 0.152 0.000 1.018 932 E CA 1.636 58.091 56.400 0.092 0.000 0.834 932 E CB -0.510 29.238 29.700 0.080 0.000 0.770 932 E HN 0.489 nan 8.360 nan 0.000 0.459 933 Y N 1.026 121.369 120.300 0.071 0.000 2.403 933 Y HA -0.223 4.324 4.550 -0.006 0.000 0.291 933 Y C 2.330 178.296 175.900 0.111 0.000 1.143 933 Y CA 1.384 59.555 58.100 0.118 0.000 1.257 933 Y CB 0.169 38.694 38.460 0.109 0.000 0.984 933 Y HN -0.025 nan 8.280 nan 0.000 0.550 934 K N 0.106 120.676 120.400 0.283 0.000 1.965 934 K HA -0.278 4.039 4.320 -0.006 0.000 0.214 934 K C 2.217 178.889 176.600 0.121 0.000 1.046 934 K CA 1.823 58.224 56.287 0.190 0.000 0.944 934 K CB -0.351 32.218 32.500 0.114 0.000 0.726 934 K HN 0.184 nan 8.250 nan 0.000 0.441 935 Q N 0.952 120.803 119.800 0.085 0.000 2.029 935 Q HA -0.180 4.157 4.340 -0.006 0.000 0.209 935 Q C 1.820 177.844 176.000 0.040 0.000 0.999 935 Q CA 2.118 57.949 55.803 0.046 0.000 0.857 935 Q CB -0.536 28.221 28.738 0.031 0.000 0.926 935 Q HN 0.419 nan 8.270 nan 0.000 0.415 936 L N -0.406 120.846 121.223 0.048 0.000 2.270 936 L HA -0.194 4.143 4.340 -0.006 0.000 0.217 936 L C 2.159 179.101 176.870 0.119 0.000 1.107 936 L CA 1.029 55.905 54.840 0.060 0.000 0.772 936 L CB -0.647 41.422 42.059 0.016 0.000 0.902 936 L HN 0.186 nan 8.230 nan 0.000 0.439 937 V N -1.060 118.888 119.914 0.056 0.000 2.500 937 V HA -0.119 3.997 4.120 -0.006 0.000 0.243 937 V C 2.444 178.542 176.094 0.006 0.000 1.039 937 V CA 0.912 63.198 62.300 -0.023 0.000 1.053 937 V CB -0.366 31.411 31.823 -0.076 0.000 0.695 937 V HN 0.330 nan 8.190 nan 0.000 0.463 938 K N 0.495 120.916 120.400 0.035 0.000 2.034 938 K HA -0.273 4.044 4.320 -0.006 0.000 0.214 938 K C 1.871 178.528 176.600 0.094 0.000 1.051 938 K CA 2.136 58.458 56.287 0.058 0.000 0.931 938 K CB -0.630 31.901 32.500 0.052 0.000 0.715 938 K HN 0.464 nan 8.250 nan 0.000 0.446 939 D N 0.315 120.749 120.400 0.057 0.000 2.106 939 D HA -0.169 4.468 4.640 -0.006 0.000 0.191 939 D C 1.992 178.372 176.300 0.133 0.000 0.997 939 D CA 0.899 54.941 54.000 0.070 0.000 0.834 939 D CB -0.341 40.449 40.800 -0.017 0.000 0.956 939 D HN 0.167 nan 8.370 nan 0.000 0.448 940 R N 0.605 121.157 120.500 0.086 0.000 2.134 940 R HA -0.208 4.128 4.340 -0.006 0.000 0.248 940 R C 2.176 178.512 176.300 0.059 0.000 1.143 940 R CA 1.670 57.806 56.100 0.060 0.000 0.957 940 R CB -0.061 30.194 30.300 -0.075 0.000 0.867 940 R HN 0.136 nan 8.270 nan 0.000 0.441 941 K N -0.635 119.791 120.400 0.043 0.000 1.995 941 K HA -0.117 4.199 4.320 -0.006 0.000 0.207 941 K C 1.890 178.547 176.600 0.095 0.000 1.041 941 K CA 1.315 57.622 56.287 0.034 0.000 0.942 941 K CB -0.386 32.113 32.500 -0.002 0.000 0.731 941 K HN 0.042 nan 8.250 nan 0.000 0.439 942 F N 1.896 121.840 119.950 -0.010 0.000 2.094 942 F HA -0.393 4.131 4.527 -0.006 0.000 0.296 942 F C 1.484 177.294 175.800 0.016 0.000 1.070 942 F CA 1.745 59.743 58.000 -0.004 0.000 1.255 942 F CB -0.105 38.895 39.000 -0.000 0.000 1.000 942 F HN 0.029 nan 8.300 nan 0.000 0.490 943 L N -0.613 120.842 121.223 0.387 0.000 2.034 943 L HA -0.116 4.221 4.340 -0.006 0.000 0.203 943 L C 2.531 179.518 176.870 0.195 0.000 1.074 943 L CA 1.317 56.359 54.840 0.336 0.000 0.748 943 L CB -0.969 41.227 42.059 0.228 0.000 0.905 943 L HN -0.026 nan 8.230 nan 0.000 0.439 944 R N 0.235 120.830 120.500 0.158 0.000 2.211 944 R HA -0.224 4.113 4.340 -0.006 0.000 0.240 944 R C 2.082 178.401 176.300 0.033 0.000 1.144 944 R CA 1.371 57.561 56.100 0.149 0.000 0.992 944 R CB -0.214 30.175 30.300 0.148 0.000 0.869 944 R HN 0.413 nan 8.270 nan 0.000 0.462 945 E N 0.046 120.221 120.200 -0.041 0.000 2.001 945 E HA -0.177 4.170 4.350 -0.006 0.000 0.195 945 E C 1.859 178.336 176.600 -0.205 0.000 1.002 945 E CA 1.674 57.979 56.400 -0.158 0.000 0.819 945 E CB 0.043 29.573 29.700 -0.285 0.000 0.769 945 E HN 0.020 nan 8.360 nan 0.000 0.454 946 V N 0.151 119.903 119.914 -0.270 0.000 2.223 946 V HA -0.204 3.912 4.120 -0.006 0.000 0.244 946 V C 1.027 176.790 176.094 -0.551 0.000 1.045 946 V CA 1.537 63.577 62.300 -0.434 0.000 1.000 946 V CB -0.484 31.015 31.823 -0.539 0.000 0.635 946 V HN 0.244 nan 8.190 nan 0.000 0.445 947 F N 0.480 120.288 119.950 -0.238 0.000 2.659 947 F HA 0.251 4.774 4.527 -0.006 0.000 0.360 947 F C 1.325 177.067 175.800 -0.097 0.000 1.218 947 F CA -0.421 57.445 58.000 -0.223 0.000 1.317 947 F CB -0.961 37.860 39.000 -0.298 0.000 1.697 947 F HN -0.142 nan 8.300 nan 0.000 0.637 948 V N -0.219 119.667 119.914 -0.047 0.000 2.453 948 V HA -0.330 3.787 4.120 -0.006 0.000 0.252 948 V C 1.833 177.966 176.094 0.066 0.000 1.068 948 V CA 1.805 64.116 62.300 0.018 0.000 1.070 948 V CB -0.423 31.366 31.823 -0.055 0.000 0.664 948 V HN 0.454 nan 8.190 nan 0.000 0.461 949 D N 0.965 121.380 120.400 0.025 0.000 2.172 949 D HA -0.146 4.491 4.640 -0.006 0.000 0.196 949 D C 1.919 178.180 176.300 -0.065 0.000 0.999 949 D CA 1.888 55.907 54.000 0.031 0.000 0.856 949 D CB -0.522 40.348 40.800 0.118 0.000 0.934 949 D HN 0.677 nan 8.370 nan 0.000 0.453 950 G N 0.705 109.404 108.800 -0.168 0.000 2.132 950 G HA2 -0.276 3.680 3.960 -0.006 0.000 0.228 950 G HA3 -0.276 3.680 3.960 -0.006 0.000 0.228 950 G C -0.055 174.559 174.900 -0.477 0.000 1.000 950 G CA 0.290 44.853 45.100 -0.894 0.000 0.693 950 G HN 0.396 nan 8.290 nan 0.000 0.515 951 E N 0.037 120.216 120.200 -0.035 0.000 2.133 951 E HA 0.771 5.118 4.350 -0.006 0.000 0.274 951 E C 0.848 177.654 176.600 0.343 0.000 0.930 951 E CA 0.153 56.633 56.400 0.133 0.000 0.770 951 E CB 1.017 30.866 29.700 0.249 0.000 1.104 951 E HN 0.591 nan 8.360 nan 0.000 0.403 952 A N 4.765 127.675 122.820 0.149 0.000 2.275 952 A HA 0.124 4.440 4.320 -0.006 0.000 0.212 952 A C -0.069 177.606 177.584 0.152 0.000 1.201 952 A CA -0.215 51.894 52.037 0.118 0.000 0.843 952 A CB -0.130 18.875 19.000 0.007 0.000 0.873 952 A HN 0.521 nan 8.150 nan 0.000 0.492 953 N N 0.293 118.951 118.700 -0.070 0.000 2.485 953 N HA 0.392 5.129 4.740 -0.006 0.000 0.243 953 N C -1.620 173.251 175.510 -1.065 0.000 0.987 953 N CA 0.086 52.928 53.050 -0.346 0.000 0.940 953 N CB 0.612 38.918 38.487 -0.303 0.000 1.122 953 N HN 0.401 nan 8.380 nan 0.000 0.509 954 W N 1.952 123.192 121.300 -0.100 0.000 2.936 954 W HA 0.427 5.084 4.660 -0.006 0.000 0.338 954 W C -2.126 174.404 176.519 0.019 0.000 1.121 954 W CA -1.879 55.437 57.345 -0.048 0.000 1.209 954 W CB 0.974 30.360 29.460 -0.123 0.000 1.420 954 W HN 0.260 nan 8.180 nan 0.000 0.516 955 P HA 0.255 nan 4.420 nan 0.000 0.271 955 P C -0.916 176.519 177.300 0.226 0.000 1.226 955 P CA 0.483 63.706 63.100 0.205 0.000 0.765 955 P CB 1.038 32.902 31.700 0.273 0.000 0.835 956 L N 5.072 126.405 121.223 0.183 0.000 2.549 956 L HA 0.392 4.729 4.340 -0.006 0.000 0.259 956 L C -2.588 174.398 176.870 0.193 0.000 0.934 956 L CA -2.558 52.408 54.840 0.211 0.000 0.865 956 L CB 2.931 45.131 42.059 0.234 0.000 1.352 956 L HN 0.107 nan 8.230 nan 0.000 0.410 957 P HA 0.089 nan 4.420 nan 0.000 0.267 957 P C -0.843 176.534 177.300 0.128 0.000 1.201 957 P CA 0.103 63.197 63.100 -0.010 0.000 0.775 957 P CB 0.484 31.954 31.700 -0.384 0.000 0.854 958 V N 0.134 120.075 119.914 0.045 0.000 3.666 958 V HA -0.225 3.892 4.120 -0.006 0.000 0.517 958 V C 0.324 176.517 176.094 0.165 0.000 0.682 958 V CA 0.420 62.791 62.300 0.118 0.000 2.067 958 V CB -0.892 31.058 31.823 0.213 0.000 2.480 958 V HN 0.857 nan 8.190 nan 0.000 0.513 959 N N 5.027 123.777 118.700 0.083 0.000 2.439 959 N HA 0.372 5.109 4.740 -0.006 0.000 0.249 959 N C 0.678 176.207 175.510 0.031 0.000 1.003 959 N CA -0.335 52.747 53.050 0.053 0.000 0.942 959 N CB 1.281 39.776 38.487 0.013 0.000 1.115 959 N HN 0.658 nan 8.380 nan 0.000 0.505 960 I N 3.041 123.626 120.570 0.025 0.000 2.480 960 I HA -0.058 4.108 4.170 -0.006 0.000 0.251 960 I C 2.406 178.482 176.117 -0.068 0.000 1.124 960 I CA 0.312 61.599 61.300 -0.023 0.000 1.444 960 I CB -0.054 37.925 38.000 -0.036 0.000 1.098 960 I HN 0.533 nan 8.210 nan 0.000 0.428 961 R N 0.862 121.327 120.500 -0.059 0.000 2.170 961 R HA -0.194 4.143 4.340 -0.006 0.000 0.242 961 R C 2.353 178.604 176.300 -0.082 0.000 1.145 961 R CA 1.463 57.513 56.100 -0.084 0.000 0.984 961 R CB -0.048 30.224 30.300 -0.046 0.000 0.869 961 R HN 0.267 nan 8.270 nan 0.000 0.455 962 R N 0.087 120.560 120.500 -0.045 0.000 2.060 962 R HA -0.012 4.324 4.340 -0.006 0.000 0.225 962 R C 2.313 178.593 176.300 -0.034 0.000 1.155 962 R CA 1.623 57.709 56.100 -0.024 0.000 0.930 962 R CB -0.397 29.910 30.300 0.012 0.000 0.829 962 R HN 0.163 nan 8.270 nan 0.000 0.433 963 I N 1.140 121.685 120.570 -0.041 0.000 2.210 963 I HA -0.419 3.748 4.170 -0.006 0.000 0.249 963 I C 2.272 178.400 176.117 0.018 0.000 1.047 963 I CA 1.300 62.564 61.300 -0.060 0.000 1.323 963 I CB -0.351 37.552 38.000 -0.161 0.000 1.017 963 I HN 0.319 nan 8.210 nan 0.000 0.427 964 I N 0.491 121.010 120.570 -0.085 0.000 2.110 964 I HA -0.283 3.883 4.170 -0.006 0.000 0.236 964 I C 2.610 178.689 176.117 -0.063 0.000 1.068 964 I CA 1.725 62.948 61.300 -0.129 0.000 1.333 964 I CB -1.135 36.574 38.000 -0.486 0.000 1.054 964 I HN 0.374 nan 8.210 nan 0.000 0.402 965 Q N 0.198 119.921 119.800 -0.129 0.000 2.268 965 Q HA -0.222 4.115 4.340 -0.006 0.000 0.210 965 Q C 1.346 177.228 176.000 -0.197 0.000 0.988 965 Q CA 1.275 56.977 55.803 -0.168 0.000 0.883 965 Q CB -0.324 28.283 28.738 -0.219 0.000 0.911 965 Q HN 0.507 nan 8.270 nan 0.000 0.430 966 N N -0.989 117.692 118.700 -0.032 0.000 2.434 966 N HA 0.085 4.822 4.740 -0.006 0.000 0.196 966 N C 0.422 176.095 175.510 0.271 0.000 1.183 966 N CA 0.589 53.701 53.050 0.104 0.000 0.849 966 N CB 0.663 39.305 38.487 0.258 0.000 0.992 966 N HN 0.242 nan 8.380 nan 0.000 0.460 967 A N 0.614 123.584 122.820 0.250 0.000 1.989 967 A HA -0.027 4.289 4.320 -0.006 0.000 0.201 967 A C 1.793 179.497 177.584 0.200 0.000 1.720 967 A CA -0.003 52.215 52.037 0.302 0.000 0.956 967 A CB -0.332 18.923 19.000 0.425 0.000 1.094 967 A HN 0.266 nan 8.150 nan 0.000 0.561 968 Q N 0.172 120.028 119.800 0.093 0.000 2.515 968 Q HA -0.226 4.111 4.340 -0.006 0.000 0.215 968 Q C 1.329 177.339 176.000 0.017 0.000 0.983 968 Q CA 1.915 57.762 55.803 0.074 0.000 0.905 968 Q CB -0.230 28.564 28.738 0.094 0.000 0.961 968 Q HN 0.685 nan 8.270 nan 0.000 0.503 969 Q N -1.004 118.747 119.800 -0.082 0.000 2.164 969 Q HA 0.188 4.525 4.340 -0.006 0.000 0.226 969 Q C 0.542 176.352 176.000 -0.318 0.000 0.813 969 Q CA 0.379 56.057 55.803 -0.208 0.000 0.978 969 Q CB 0.209 28.826 28.738 -0.202 0.000 1.149 969 Q HN 0.122 nan 8.270 nan 0.000 0.489 970 T N 0.077 114.459 114.554 -0.287 0.000 3.107 970 T HA 0.254 4.600 4.350 -0.006 0.000 0.249 970 T C -0.644 173.515 174.700 -0.901 0.000 1.096 970 T CA 0.337 62.038 62.100 -0.666 0.000 1.012 970 T CB -0.099 68.097 68.868 -1.121 0.000 0.977 970 T HN 0.334 nan 8.240 nan 0.000 0.527 971 F N -0.351 119.455 119.950 -0.239 0.000 2.802 971 F HA 0.335 4.859 4.527 -0.005 0.000 0.346 971 F C 0.490 176.271 175.800 -0.032 0.000 1.229 971 F CA -1.223 56.693 58.000 -0.140 0.000 1.142 971 F CB -0.356 38.555 39.000 -0.149 0.000 1.146 971 F HN 0.064 nan 8.300 nan 0.000 0.510 972 H N 1.037 120.137 119.070 0.051 0.000 2.218 972 H HA -0.198 4.354 4.556 -0.006 0.000 0.330 972 H C 0.523 175.889 175.328 0.062 0.000 0.962 972 H CA 0.411 56.488 56.048 0.048 0.000 1.101 972 H CB -0.744 29.030 29.762 0.020 0.000 1.548 972 H HN 0.224 nan 8.280 nan 0.000 0.372 973 I N 2.618 123.283 120.570 0.160 0.000 2.752 973 I HA -0.135 4.031 4.170 -0.006 0.000 0.289 973 I C 0.691 176.826 176.117 0.030 0.000 1.197 973 I CA 0.253 61.597 61.300 0.074 0.000 1.432 973 I CB 0.480 38.497 38.000 0.028 0.000 1.359 973 I HN 0.198 nan 8.210 nan 0.000 0.571 974 D N 6.415 126.798 120.400 -0.028 0.000 2.317 974 D HA 0.103 4.739 4.640 -0.006 0.000 0.234 974 D C 0.133 176.356 176.300 -0.128 0.000 1.112 974 D CA -0.330 53.657 54.000 -0.021 0.000 0.840 974 D CB 0.469 41.286 40.800 0.028 0.000 1.078 974 D HN 0.516 nan 8.370 nan 0.000 0.486 975 H N 1.483 120.578 119.070 0.041 0.000 2.933 975 H HA 0.053 4.605 4.556 -0.006 0.000 0.306 975 H C 0.898 176.242 175.328 0.026 0.000 1.142 975 H CA 0.508 56.577 56.048 0.036 0.000 1.193 975 H CB -0.132 29.656 29.762 0.043 0.000 1.330 975 H HN 0.676 nan 8.280 nan 0.000 0.585 976 T N -3.051 111.536 114.554 0.055 0.000 3.545 976 T HA 0.089 4.436 4.350 -0.006 0.000 0.274 976 T C 0.552 175.259 174.700 0.012 0.000 0.989 976 T CA -0.367 61.758 62.100 0.041 0.000 1.129 976 T CB 0.749 69.645 68.868 0.046 0.000 1.165 976 T HN 0.016 nan 8.240 nan 0.000 0.436 977 K N 4.009 124.409 120.400 -0.001 0.000 2.227 977 K HA 0.503 4.819 4.320 -0.006 0.000 0.280 977 K C -2.405 174.179 176.600 -0.026 0.000 1.041 977 K CA -2.264 54.017 56.287 -0.010 0.000 0.905 977 K CB 1.210 33.707 32.500 -0.006 0.000 1.068 977 K HN 0.389 nan 8.250 nan 0.000 0.470 978 P HA -0.134 nan 4.420 nan 0.000 0.270 978 P C 0.147 177.419 177.300 -0.048 0.000 1.216 978 P CA 0.040 63.117 63.100 -0.038 0.000 0.788 978 P CB 0.863 32.544 31.700 -0.031 0.000 0.883 979 S N 0.056 115.722 115.700 -0.057 0.000 2.592 979 S HA 0.022 4.488 4.470 -0.006 0.000 0.247 979 S C 0.576 175.139 174.600 -0.062 0.000 1.322 979 S CA 0.956 59.117 58.200 -0.066 0.000 0.973 979 S CB -0.399 62.753 63.200 -0.081 0.000 0.971 979 S HN 0.844 nan 8.310 nan 0.000 0.545 980 D N -1.139 119.218 120.400 -0.072 0.000 3.181 980 D HA 0.162 4.798 4.640 -0.006 0.000 0.285 980 D C -0.625 175.627 176.300 -0.080 0.000 1.636 980 D CA -0.249 53.713 54.000 -0.063 0.000 0.848 980 D CB -1.349 39.422 40.800 -0.049 0.000 1.521 980 D HN 0.329 nan 8.370 nan 0.000 0.485 981 L N 0.062 121.220 121.223 -0.110 0.000 2.416 981 L HA 0.766 5.103 4.340 -0.006 0.000 0.263 981 L C 0.261 177.047 176.870 -0.140 0.000 1.065 981 L CA -0.515 54.229 54.840 -0.160 0.000 0.798 981 L CB 1.791 43.700 42.059 -0.250 0.000 1.267 981 L HN -0.029 nan 8.230 nan 0.000 0.467 982 T N 0.231 114.689 114.554 -0.161 0.000 2.841 982 T HA 0.328 4.674 4.350 -0.006 0.000 0.283 982 T C 1.160 175.779 174.700 -0.135 0.000 1.000 982 T CA -0.609 61.419 62.100 -0.121 0.000 0.977 982 T CB 1.856 70.668 68.868 -0.094 0.000 0.979 982 T HN 0.261 nan 8.240 nan 0.000 0.446 983 I N 1.548 122.056 120.570 -0.102 0.000 2.502 983 I HA -0.133 4.034 4.170 -0.006 0.000 0.258 983 I C 2.192 178.256 176.117 -0.088 0.000 1.172 983 I CA 1.493 62.736 61.300 -0.095 0.000 1.430 983 I CB -0.746 37.216 38.000 -0.064 0.000 1.086 983 I HN 0.688 nan 8.210 nan 0.000 0.440 984 K N 0.368 120.721 120.400 -0.078 0.000 2.062 984 K HA -0.138 4.179 4.320 -0.006 0.000 0.205 984 K C 1.551 178.102 176.600 -0.083 0.000 1.051 984 K CA 1.031 57.281 56.287 -0.063 0.000 0.941 984 K CB 0.029 32.500 32.500 -0.048 0.000 0.719 984 K HN 0.257 nan 8.250 nan 0.000 0.440 985 D N 1.248 121.574 120.400 -0.123 0.000 2.173 985 D HA -0.205 4.431 4.640 -0.006 0.000 0.205 985 D C 1.932 178.094 176.300 -0.231 0.000 1.002 985 D CA 1.230 55.127 54.000 -0.172 0.000 0.881 985 D CB -0.726 39.921 40.800 -0.254 0.000 1.062 985 D HN 0.042 nan 8.370 nan 0.000 0.459 986 I N 0.565 120.873 120.570 -0.437 0.000 2.280 986 I HA -0.381 3.786 4.170 -0.006 0.000 0.226 986 I C 2.635 178.697 176.117 -0.091 0.000 0.970 986 I CA 1.426 62.453 61.300 -0.455 0.000 1.279 986 I CB -0.786 36.993 38.000 -0.368 0.000 0.984 986 I HN -0.081 nan 8.210 nan 0.000 0.382 987 V N 0.469 120.336 119.914 -0.078 0.000 2.277 987 V HA -0.335 3.781 4.120 -0.006 0.000 0.253 987 V C 2.328 178.424 176.094 0.004 0.000 1.067 987 V CA 2.319 64.607 62.300 -0.021 0.000 1.047 987 V CB -0.610 31.195 31.823 -0.030 0.000 0.649 987 V HN 0.383 nan 8.190 nan 0.000 0.447 988 L N -0.308 120.911 121.223 -0.008 0.000 2.201 988 L HA -0.036 4.301 4.340 -0.006 0.000 0.212 988 L C 2.374 179.266 176.870 0.036 0.000 1.105 988 L CA 1.350 56.195 54.840 0.008 0.000 0.775 988 L CB -0.699 41.358 42.059 -0.003 0.000 0.913 988 L HN 0.467 nan 8.230 nan 0.000 0.440 989 G N -1.147 107.699 108.800 0.076 0.000 2.454 989 G HA2 -0.215 3.742 3.960 -0.006 0.000 0.214 989 G HA3 -0.215 3.742 3.960 -0.006 0.000 0.214 989 G C 1.559 176.524 174.900 0.108 0.000 1.217 989 G CA 0.637 45.817 45.100 0.134 0.000 0.799 989 G HN 0.110 nan 8.290 nan 0.000 0.538 990 V N 1.142 121.144 119.914 0.146 0.000 2.280 990 V HA -0.323 3.794 4.120 -0.006 0.000 0.258 990 V C 2.794 178.909 176.094 0.035 0.000 1.081 990 V CA 2.866 65.218 62.300 0.086 0.000 1.070 990 V CB -0.367 31.508 31.823 0.087 0.000 0.666 990 V HN 0.519 nan 8.190 nan 0.000 0.450 991 K N -1.024 119.393 120.400 0.029 0.000 2.362 991 K HA -0.134 4.182 4.320 -0.006 0.000 0.200 991 K C 1.194 177.795 176.600 0.002 0.000 1.046 991 K CA 1.564 57.856 56.287 0.009 0.000 0.952 991 K CB -0.021 32.484 32.500 0.009 0.000 0.753 991 K HN 0.522 nan 8.250 nan 0.000 0.466 992 D N -0.405 120.001 120.400 0.009 0.000 2.503 992 D HA -0.010 4.627 4.640 -0.006 0.000 0.218 992 D C 0.963 177.255 176.300 -0.014 0.000 1.183 992 D CA 0.049 54.048 54.000 -0.002 0.000 0.827 992 D CB 0.748 41.552 40.800 0.006 0.000 1.034 992 D HN 0.149 nan 8.370 nan 0.000 0.510 993 L N 0.673 121.886 121.223 -0.016 0.000 2.145 993 L HA 0.099 4.435 4.340 -0.006 0.000 0.201 993 L C 2.175 179.004 176.870 -0.069 0.000 1.075 993 L CA 1.680 56.497 54.840 -0.038 0.000 0.773 993 L CB -0.690 41.352 42.059 -0.029 0.000 0.936 993 L HN -0.162 nan 8.230 nan 0.000 0.451 994 Q N -0.121 119.649 119.800 -0.050 0.000 2.182 994 Q HA -0.302 4.035 4.340 -0.006 0.000 0.213 994 Q C 2.021 177.969 176.000 -0.087 0.000 1.000 994 Q CA 2.433 58.200 55.803 -0.061 0.000 0.889 994 Q CB -0.189 28.528 28.738 -0.034 0.000 0.932 994 Q HN 0.604 nan 8.270 nan 0.000 0.415 995 E N -0.510 119.650 120.200 -0.066 0.000 2.333 995 E HA -0.125 4.221 4.350 -0.006 0.000 0.198 995 E C 0.534 177.085 176.600 -0.081 0.000 1.007 995 E CA 0.900 57.263 56.400 -0.062 0.000 0.845 995 E CB 0.069 29.745 29.700 -0.040 0.000 0.766 995 E HN 0.592 nan 8.360 nan 0.000 0.507 996 N N -0.478 118.153 118.700 -0.115 0.000 2.143 996 N HA 0.082 4.819 4.740 -0.006 0.000 0.222 996 N C 1.585 176.963 175.510 -0.219 0.000 1.264 996 N CA -0.113 52.861 53.050 -0.126 0.000 0.897 996 N CB 0.547 38.982 38.487 -0.087 0.000 1.092 996 N HN 0.062 nan 8.380 nan 0.000 0.516 997 L N 0.988 121.977 121.223 -0.389 0.000 2.189 997 L HA -0.044 4.292 4.340 -0.006 0.000 0.214 997 L C 0.783 177.271 176.870 -0.636 0.000 1.097 997 L CA 1.022 55.315 54.840 -0.911 0.000 0.764 997 L CB -0.476 40.801 42.059 -1.303 0.000 0.900 997 L HN 0.317 nan 8.230 nan 0.000 0.436 998 L N -0.008 121.046 121.223 -0.283 0.000 4.625 998 L HA -0.289 4.047 4.340 -0.006 0.000 0.580 998 L C 0.974 177.894 176.870 0.083 0.000 1.001 998 L CA 0.450 55.248 54.840 -0.069 0.000 0.521 998 L CB -0.052 41.978 42.059 -0.049 0.000 0.337 998 L HN 0.033 nan 8.230 nan 0.000 1.151 999 V N 4.878 124.864 119.914 0.120 0.000 3.251 999 V HA 0.217 4.334 4.120 -0.006 0.000 0.239 999 V C 0.530 176.690 176.094 0.110 0.000 1.332 999 V CA 0.270 62.673 62.300 0.172 0.000 1.224 999 V CB 1.000 32.951 31.823 0.214 0.000 1.004 999 V HN 0.525 nan 8.190 nan 0.000 0.464 1000 L N 0.143 121.416 121.223 0.084 0.000 2.322 1000 L HA 0.475 4.812 4.340 -0.006 0.000 0.281 1000 L C 1.044 177.939 176.870 0.042 0.000 1.014 1000 L CA -0.172 54.708 54.840 0.068 0.000 0.815 1000 L CB 2.179 44.280 42.059 0.070 0.000 1.247 1000 L HN 0.026 nan 8.230 nan 0.000 0.421 1001 R N 1.991 122.513 120.500 0.037 0.000 2.075 1001 R HA 0.143 4.479 4.340 -0.006 0.000 0.220 1001 R C 0.895 177.202 176.300 0.013 0.000 1.118 1001 R CA 0.503 56.615 56.100 0.019 0.000 0.986 1001 R CB -0.138 30.170 30.300 0.012 0.000 0.884 1001 R HN 0.828 nan 8.270 nan 0.000 0.439 1002 G N 1.136 109.946 108.800 0.017 0.000 2.601 1002 G HA2 -0.276 3.681 3.960 -0.006 0.000 0.234 1002 G HA3 -0.276 3.681 3.960 -0.006 0.000 0.234 1002 G C 0.070 174.972 174.900 0.004 0.000 0.913 1002 G CA 0.259 45.365 45.100 0.011 0.000 0.933 1002 G HN 0.322 nan 8.290 nan 0.000 0.414 1003 K N 0.799 121.200 120.400 0.001 0.000 2.361 1003 K HA -0.035 4.282 4.320 -0.006 0.000 0.196 1003 K C 1.376 177.975 176.600 -0.001 0.000 1.039 1003 K CA 0.227 56.514 56.287 -0.001 0.000 1.001 1003 K CB 0.023 32.521 32.500 -0.003 0.000 0.795 1003 K HN 0.719 nan 8.250 nan 0.000 0.495 1004 N N 1.214 119.913 118.700 -0.000 0.000 2.479 1004 N HA -0.121 4.615 4.740 -0.006 0.000 0.257 1004 N C 0.581 176.088 175.510 -0.004 0.000 1.232 1004 N CA 0.382 53.431 53.050 -0.002 0.000 0.920 1004 N CB 1.417 39.903 38.487 -0.002 0.000 1.105 1004 N HN -0.030 nan 8.380 nan 0.000 0.444 1005 E N 2.127 122.323 120.200 -0.006 0.000 2.265 1005 E HA -0.127 4.220 4.350 -0.006 0.000 0.196 1005 E C 1.285 177.877 176.600 -0.013 0.000 0.996 1005 E CA 1.202 57.597 56.400 -0.008 0.000 0.832 1005 E CB -0.057 29.638 29.700 -0.008 0.000 0.756 1005 E HN 0.698 nan 8.360 nan 0.000 0.491 1006 I N 0.473 121.032 120.570 -0.019 0.000 2.339 1006 I HA -0.161 4.006 4.170 -0.006 0.000 0.245 1006 I C 2.158 178.256 176.117 -0.031 0.000 1.096 1006 I CA 0.582 61.863 61.300 -0.032 0.000 1.408 1006 I CB -1.256 36.715 38.000 -0.047 0.000 1.092 1006 I HN 0.143 nan 8.210 nan 0.000 0.423 1007 I N 1.078 121.637 120.570 -0.020 0.000 2.076 1007 I HA -0.261 3.906 4.170 -0.006 0.000 0.237 1007 I C 2.587 178.706 176.117 0.003 0.000 1.059 1007 I CA 1.484 62.782 61.300 -0.005 0.000 1.317 1007 I CB -1.480 36.525 38.000 0.007 0.000 1.037 1007 I HN 0.354 nan 8.210 nan 0.000 0.398 1008 Q N 0.418 120.219 119.800 0.002 0.000 2.376 1008 Q HA -0.200 4.136 4.340 -0.006 0.000 0.211 1008 Q C 1.681 177.683 176.000 0.003 0.000 0.986 1008 Q CA 0.904 56.709 55.803 0.003 0.000 0.886 1008 Q CB -0.383 28.354 28.738 -0.001 0.000 0.927 1008 Q HN 0.523 nan 8.270 nan 0.000 0.457 1009 N N -0.881 117.817 118.700 -0.002 0.000 2.353 1009 N HA 0.046 4.783 4.740 -0.006 0.000 0.185 1009 N C 1.133 176.646 175.510 0.006 0.000 1.098 1009 N CA 0.527 53.576 53.050 -0.001 0.000 0.872 1009 N CB 0.443 38.925 38.487 -0.009 0.000 0.970 1009 N HN 0.165 nan 8.380 nan 0.000 0.467 1010 A N 0.752 123.577 122.820 0.008 0.000 1.855 1010 A HA -0.129 4.188 4.320 -0.006 0.000 0.213 1010 A C 2.124 179.734 177.584 0.044 0.000 1.195 1010 A CA 1.132 53.182 52.037 0.023 0.000 0.610 1010 A CB -0.641 18.374 19.000 0.025 0.000 0.837 1010 A HN 0.232 nan 8.150 nan 0.000 0.444 1011 Q N 0.367 120.192 119.800 0.041 0.000 2.096 1011 Q HA -0.235 4.101 4.340 -0.006 0.000 0.208 1011 Q C 2.103 178.125 176.000 0.037 0.000 0.993 1011 Q CA 2.544 58.373 55.803 0.044 0.000 0.862 1011 Q CB -0.468 28.285 28.738 0.025 0.000 0.915 1011 Q HN 0.605 nan 8.270 nan 0.000 0.416 1012 R N -0.345 120.169 120.500 0.023 0.000 2.073 1012 R HA -0.127 4.210 4.340 -0.006 0.000 0.234 1012 R C 1.590 177.910 176.300 0.033 0.000 1.134 1012 R CA 1.656 57.766 56.100 0.017 0.000 0.952 1012 R CB -0.190 30.116 30.300 0.009 0.000 0.850 1012 R HN 0.449 nan 8.270 nan 0.000 0.433 1013 D N -0.372 120.054 120.400 0.043 0.000 2.312 1013 D HA -0.078 4.559 4.640 -0.006 0.000 0.211 1013 D C 1.326 177.675 176.300 0.080 0.000 0.964 1013 D CA 0.970 55.006 54.000 0.060 0.000 0.877 1013 D CB 0.126 40.959 40.800 0.054 0.000 0.924 1013 D HN 0.318 nan 8.370 nan 0.000 0.515 1014 A N 0.222 123.096 122.820 0.090 0.000 2.030 1014 A HA 0.030 4.346 4.320 -0.006 0.000 0.215 1014 A C 2.326 180.011 177.584 0.168 0.000 1.164 1014 A CA 0.322 52.434 52.037 0.124 0.000 0.697 1014 A CB -0.032 19.048 19.000 0.133 0.000 0.827 1014 A HN 0.119 nan 8.150 nan 0.000 0.457 1015 V N -0.365 119.639 119.914 0.149 0.000 2.649 1015 V HA -0.143 3.974 4.120 -0.006 0.000 0.248 1015 V C 2.532 178.728 176.094 0.170 0.000 1.054 1015 V CA 2.005 64.417 62.300 0.187 0.000 1.073 1015 V CB -1.015 30.847 31.823 0.065 0.000 0.699 1015 V HN 0.575 nan 8.190 nan 0.000 0.463 1016 T N 0.956 115.555 114.554 0.074 0.000 2.522 1016 T HA -0.385 3.961 4.350 -0.006 0.000 0.253 1016 T C 1.851 176.532 174.700 -0.030 0.000 1.218 1016 T CA 2.487 64.575 62.100 -0.021 0.000 1.155 1016 T CB -0.613 68.236 68.868 -0.031 0.000 0.855 1016 T HN 0.308 nan 8.240 nan 0.000 0.435 1017 L N -0.521 120.735 121.223 0.055 0.000 2.042 1017 L HA -0.113 4.223 4.340 -0.006 0.000 0.210 1017 L C 2.356 179.261 176.870 0.059 0.000 1.076 1017 L CA 1.702 56.573 54.840 0.052 0.000 0.749 1017 L CB -0.455 41.675 42.059 0.118 0.000 0.893 1017 L HN 0.236 nan 8.230 nan 0.000 0.432 1018 F N 0.688 120.674 119.950 0.060 0.000 2.043 1018 F HA -0.356 4.167 4.527 -0.006 0.000 0.297 1018 F C 2.676 178.495 175.800 0.032 0.000 1.118 1018 F CA 2.175 60.232 58.000 0.094 0.000 1.202 1018 F CB -0.755 38.389 39.000 0.239 0.000 0.965 1018 F HN 0.241 nan 8.300 nan 0.000 0.482 1019 C N -0.689 118.579 119.300 -0.052 0.000 2.425 1019 C HA -0.202 4.255 4.460 -0.006 0.000 0.277 1019 C C 3.013 177.881 174.990 -0.203 0.000 1.280 1019 C CA 0.513 59.439 59.018 -0.153 0.000 1.744 1019 C CB -2.144 25.566 27.740 -0.051 0.000 1.989 1019 C HN 0.691 nan 8.230 nan 0.000 0.491 1020 C N 0.757 119.944 119.300 -0.188 0.000 2.385 1020 C HA -0.170 4.287 4.460 -0.006 0.000 0.275 1020 C C 2.616 177.509 174.990 -0.162 0.000 1.207 1020 C CA 1.590 60.504 59.018 -0.174 0.000 1.760 1020 C CB -1.662 25.966 27.740 -0.186 0.000 2.051 1020 C HN 0.692 nan 8.230 nan 0.000 0.467 1021 L N 0.789 121.875 121.223 -0.229 0.000 1.937 1021 L HA -0.074 4.263 4.340 -0.006 0.000 0.213 1021 L C 2.362 179.075 176.870 -0.262 0.000 1.077 1021 L CA 1.823 56.514 54.840 -0.248 0.000 0.758 1021 L CB -1.373 40.467 42.059 -0.365 0.000 0.888 1021 L HN 0.241 nan 8.230 nan 0.000 0.433 1022 L N 0.367 121.327 121.223 -0.438 0.000 2.077 1022 L HA -0.345 3.992 4.340 -0.006 0.000 0.231 1022 L C 2.763 179.545 176.870 -0.146 0.000 1.100 1022 L CA 2.514 57.166 54.840 -0.314 0.000 0.819 1022 L CB -1.100 40.779 42.059 -0.300 0.000 0.913 1022 L HN 0.470 nan 8.230 nan 0.000 0.446 1023 R N -0.720 119.708 120.500 -0.120 0.000 2.066 1023 R HA -0.113 4.224 4.340 -0.006 0.000 0.232 1023 R C 2.410 178.677 176.300 -0.055 0.000 1.131 1023 R CA 1.580 57.640 56.100 -0.067 0.000 0.955 1023 R CB -0.781 29.489 30.300 -0.051 0.000 0.851 1023 R HN 0.699 nan 8.270 nan 0.000 0.432 1024 S N 1.169 116.856 115.700 -0.021 0.000 2.369 1024 S HA -0.261 4.206 4.470 -0.006 0.000 0.225 1024 S C 2.094 176.651 174.600 -0.071 0.000 1.043 1024 S CA 1.509 59.758 58.200 0.081 0.000 1.074 1024 S CB -0.188 63.063 63.200 0.085 0.000 0.962 1024 S HN 0.155 nan 8.310 nan 0.000 0.433 1025 R N 1.168 121.641 120.500 -0.045 0.000 2.061 1025 R HA 0.280 4.617 4.340 -0.006 0.000 0.230 1025 R C 1.245 177.555 176.300 0.018 0.000 1.140 1025 R CA 1.147 57.254 56.100 0.010 0.000 0.940 1025 R CB -0.796 29.528 30.300 0.040 0.000 0.839 1025 R HN 0.458 nan 8.270 nan 0.000 0.429 1026 L N 1.354 122.579 121.223 0.004 0.000 2.511 1026 L HA 0.267 4.603 4.340 -0.006 0.000 0.239 1026 L C -0.302 176.549 176.870 -0.031 0.000 1.400 1026 L CA -0.493 54.370 54.840 0.038 0.000 1.226 1026 L CB -0.547 41.543 42.059 0.051 0.000 1.475 1026 L HN 0.145 nan 8.230 nan 0.000 0.428 1027 A N -0.169 122.547 122.820 -0.173 0.000 2.365 1027 A HA 0.556 4.872 4.320 -0.006 0.000 0.318 1027 A C 1.116 178.550 177.584 -0.250 0.000 1.091 1027 A CA -0.445 51.458 52.037 -0.224 0.000 0.763 1027 A CB 1.082 19.851 19.000 -0.384 0.000 1.248 1027 A HN 0.439 nan 8.150 nan 0.000 0.442 1028 T N 1.829 116.284 114.554 -0.165 0.000 2.427 1028 T HA -0.287 4.060 4.350 -0.006 0.000 0.244 1028 T C 2.066 176.648 174.700 -0.196 0.000 1.325 1028 T CA 1.840 63.846 62.100 -0.157 0.000 1.173 1028 T CB -0.459 68.347 68.868 -0.103 0.000 0.859 1028 T HN 0.691 nan 8.240 nan 0.000 0.415 1029 R N 0.818 121.214 120.500 -0.172 0.000 2.234 1029 R HA -0.224 4.112 4.340 -0.006 0.000 0.241 1029 R C 2.641 178.790 176.300 -0.252 0.000 1.115 1029 R CA 2.187 58.187 56.100 -0.167 0.000 0.913 1029 R CB -0.785 29.431 30.300 -0.140 0.000 0.911 1029 R HN 0.445 nan 8.270 nan 0.000 0.430 1030 R N -0.338 119.933 120.500 -0.382 0.000 2.143 1030 R HA -0.194 4.143 4.340 -0.006 0.000 0.239 1030 R C 2.378 178.252 176.300 -0.710 0.000 1.126 1030 R CA 2.377 58.140 56.100 -0.562 0.000 0.927 1030 R CB -0.742 29.153 30.300 -0.675 0.000 0.860 1030 R HN 0.148 nan 8.270 nan 0.000 0.433 1031 V N 1.123 120.726 119.914 -0.518 0.000 2.278 1031 V HA -0.297 3.820 4.120 -0.006 0.000 0.251 1031 V C 2.210 178.175 176.094 -0.215 0.000 1.062 1031 V CA 2.075 64.184 62.300 -0.318 0.000 1.038 1031 V CB -0.387 31.411 31.823 -0.041 0.000 0.646 1031 V HN 0.281 nan 8.190 nan 0.000 0.447 1032 L N -1.307 119.801 121.223 -0.191 0.000 2.200 1032 L HA 0.004 4.340 4.340 -0.006 0.000 0.200 1032 L C 2.443 179.247 176.870 -0.109 0.000 1.072 1032 L CA 1.356 56.122 54.840 -0.124 0.000 0.787 1032 L CB -0.704 41.288 42.059 -0.111 0.000 0.957 1032 L HN 0.209 nan 8.230 nan 0.000 0.459 1033 Q N 0.099 119.820 119.800 -0.131 0.000 2.137 1033 Q HA -0.131 4.206 4.340 -0.006 0.000 0.198 1033 Q C 1.903 177.869 176.000 -0.056 0.000 0.960 1033 Q CA 1.167 56.921 55.803 -0.081 0.000 0.847 1033 Q CB 0.310 29.005 28.738 -0.071 0.000 0.915 1033 Q HN 0.547 nan 8.270 nan 0.000 0.448 1034 E N -0.440 119.681 120.200 -0.133 0.000 2.057 1034 E HA -0.081 4.266 4.350 -0.006 0.000 0.190 1034 E C -0.168 176.510 176.600 0.130 0.000 0.969 1034 E CA 0.559 56.936 56.400 -0.038 0.000 0.812 1034 E CB 0.261 29.895 29.700 -0.110 0.000 0.777 1034 E HN 0.401 nan 8.360 nan 0.000 0.455 1035 Y N -0.559 119.771 120.300 0.051 0.000 2.747 1035 Y HA 0.451 4.998 4.550 -0.005 0.000 0.362 1035 Y C -0.339 175.581 175.900 0.033 0.000 1.026 1035 Y CA -0.997 57.153 58.100 0.083 0.000 1.135 1035 Y CB -0.184 38.316 38.460 0.066 0.000 1.175 1035 Y HN -0.282 nan 8.280 nan 0.000 0.643 1036 R N 2.617 123.176 120.500 0.099 0.000 3.800 1036 R HA -0.093 4.244 4.340 -0.006 0.000 0.142 1036 R C 0.289 176.574 176.300 -0.025 0.000 1.071 1036 R CA 0.333 56.414 56.100 -0.032 0.000 0.978 1036 R CB -0.546 29.658 30.300 -0.159 0.000 1.342 1036 R HN 0.706 nan 8.270 nan 0.000 0.531 1037 L N 0.089 121.356 121.223 0.074 0.000 2.332 1037 L HA 0.040 4.376 4.340 -0.006 0.000 0.219 1037 L C 1.294 178.162 176.870 -0.004 0.000 1.199 1037 L CA 0.956 55.843 54.840 0.078 0.000 0.830 1037 L CB 0.088 42.281 42.059 0.224 0.000 1.192 1037 L HN 0.429 nan 8.230 nan 0.000 0.571 1038 T N -3.573 110.968 114.554 -0.022 0.000 2.843 1038 T HA 0.251 4.598 4.350 -0.006 0.000 0.302 1038 T C 0.287 174.969 174.700 -0.031 0.000 1.232 1038 T CA -0.756 61.307 62.100 -0.062 0.000 1.009 1038 T CB 2.104 70.911 68.868 -0.102 0.000 1.254 1038 T HN 0.498 nan 8.240 nan 0.000 0.504 1039 K N 1.053 121.425 120.400 -0.046 0.000 2.015 1039 K HA -0.255 4.062 4.320 -0.006 0.000 0.220 1039 K C 2.152 178.780 176.600 0.046 0.000 1.055 1039 K CA 2.707 58.991 56.287 -0.004 0.000 0.951 1039 K CB -0.960 31.520 32.500 -0.033 0.000 0.725 1039 K HN 0.735 nan 8.250 nan 0.000 0.449 1040 Q N -0.467 119.306 119.800 -0.045 0.000 1.978 1040 Q HA -0.274 4.062 4.340 -0.006 0.000 0.211 1040 Q C 1.999 177.908 176.000 -0.152 0.000 1.013 1040 Q CA 2.680 58.436 55.803 -0.078 0.000 0.869 1040 Q CB -0.600 28.051 28.738 -0.145 0.000 0.953 1040 Q HN 0.493 nan 8.270 nan 0.000 0.415 1041 A N 0.428 122.932 122.820 -0.527 0.000 1.859 1041 A HA -0.276 4.041 4.320 -0.006 0.000 0.218 1041 A C 1.917 179.498 177.584 -0.005 0.000 1.209 1041 A CA 1.875 53.529 52.037 -0.639 0.000 0.639 1041 A CB -1.486 16.996 19.000 -0.865 0.000 0.835 1041 A HN 0.673 nan 8.150 nan 0.000 0.450 1042 F N 0.975 120.876 119.950 -0.082 0.000 2.082 1042 F HA -0.334 4.189 4.527 -0.005 0.000 0.298 1042 F C 1.739 177.573 175.800 0.056 0.000 1.091 1042 F CA 2.577 60.587 58.000 0.016 0.000 1.230 1042 F CB -0.373 38.618 39.000 -0.014 0.000 0.983 1042 F HN 0.338 nan 8.300 nan 0.000 0.485 1043 D N -1.356 119.196 120.400 0.255 0.000 2.350 1043 D HA -0.166 4.470 4.640 -0.006 0.000 0.216 1043 D C 1.438 177.811 176.300 0.122 0.000 0.968 1043 D CA 0.963 55.075 54.000 0.187 0.000 0.894 1043 D CB -0.257 40.657 40.800 0.190 0.000 0.909 1043 D HN 0.562 nan 8.370 nan 0.000 0.520 1044 W N -0.221 121.035 121.300 -0.073 0.000 2.768 1044 W HA -0.024 4.633 4.660 -0.006 0.000 0.302 1044 W C 2.083 178.554 176.519 -0.081 0.000 1.080 1044 W CA 0.512 57.844 57.345 -0.022 0.000 1.611 1044 W CB -0.745 28.757 29.460 0.070 0.000 1.179 1044 W HN -0.269 nan 8.180 nan 0.000 0.512 1045 V N 2.147 122.065 119.914 0.006 0.000 2.280 1045 V HA -0.408 3.709 4.120 -0.006 0.000 0.258 1045 V C 2.344 178.221 176.094 -0.361 0.000 1.081 1045 V CA 2.232 64.358 62.300 -0.291 0.000 1.070 1045 V CB -1.501 30.213 31.823 -0.183 0.000 0.666 1045 V HN 0.378 nan 8.190 nan 0.000 0.450 1046 L N -0.268 120.739 121.223 -0.359 0.000 1.924 1046 L HA -0.260 4.077 4.340 -0.006 0.000 0.222 1046 L C 2.774 179.521 176.870 -0.205 0.000 1.081 1046 L CA 2.347 57.012 54.840 -0.290 0.000 0.780 1046 L CB -0.695 41.209 42.059 -0.258 0.000 0.891 1046 L HN 0.413 nan 8.230 nan 0.000 0.434 1047 S N -0.351 115.257 115.700 -0.153 0.000 2.393 1047 S HA -0.339 4.128 4.470 -0.006 0.000 0.234 1047 S C 1.968 176.454 174.600 -0.190 0.000 1.064 1047 S CA 2.112 60.236 58.200 -0.128 0.000 1.088 1047 S CB -0.618 62.545 63.200 -0.063 0.000 0.939 1047 S HN 0.550 nan 8.310 nan 0.000 0.448 1048 N N 1.131 119.619 118.700 -0.353 0.000 2.002 1048 N HA -0.150 4.587 4.740 -0.006 0.000 0.199 1048 N C 1.809 177.174 175.510 -0.242 0.000 1.060 1048 N CA 2.284 55.081 53.050 -0.422 0.000 0.867 1048 N CB -0.788 37.206 38.487 -0.822 0.000 1.069 1048 N HN 0.563 nan 8.380 nan 0.000 0.430 1049 I N 1.397 121.838 120.570 -0.214 0.000 2.132 1049 I HA -0.393 3.774 4.170 -0.006 0.000 0.238 1049 I C 2.514 178.616 176.117 -0.026 0.000 1.012 1049 I CA 2.042 63.299 61.300 -0.072 0.000 1.288 1049 I CB -0.732 37.256 38.000 -0.021 0.000 0.997 1049 I HN 0.437 nan 8.210 nan 0.000 0.402 1050 E N 0.887 121.054 120.200 -0.056 0.000 2.103 1050 E HA -0.393 3.954 4.350 -0.006 0.000 0.229 1050 E C 2.068 178.665 176.600 -0.006 0.000 1.061 1050 E CA 2.264 58.634 56.400 -0.049 0.000 0.916 1050 E CB -0.319 29.339 29.700 -0.070 0.000 0.806 1050 E HN 0.476 nan 8.360 nan 0.000 0.489 1051 A N 0.711 123.505 122.820 -0.043 0.000 1.870 1051 A HA -0.389 3.928 4.320 -0.006 0.000 0.219 1051 A C 2.214 179.776 177.584 -0.037 0.000 1.286 1051 A CA 2.593 54.605 52.037 -0.041 0.000 0.682 1051 A CB -1.318 17.640 19.000 -0.069 0.000 0.844 1051 A HN 0.596 nan 8.150 nan 0.000 0.460 1052 Q N -1.702 118.060 119.800 -0.063 0.000 2.124 1052 Q HA -0.262 4.075 4.340 -0.006 0.000 0.215 1052 Q C 1.697 177.642 176.000 -0.092 0.000 1.015 1052 Q CA 2.184 57.940 55.803 -0.077 0.000 0.890 1052 Q CB -0.456 28.244 28.738 -0.063 0.000 0.966 1052 Q HN 0.692 nan 8.270 nan 0.000 0.412 1053 F N -0.017 119.815 119.950 -0.198 0.000 1.979 1053 F HA -0.279 4.245 4.527 -0.005 0.000 0.298 1053 F C 2.289 177.971 175.800 -0.197 0.000 1.490 1053 F CA 1.421 59.255 58.000 -0.277 0.000 1.178 1053 F CB -0.489 38.296 39.000 -0.359 0.000 1.004 1053 F HN 0.087 nan 8.300 nan 0.000 0.538 1054 L N -0.032 121.375 121.223 0.307 0.000 2.828 1054 L HA -0.525 3.812 4.340 -0.006 0.000 0.199 1054 L C 2.372 179.214 176.870 -0.046 0.000 1.280 1054 L CA 2.255 57.158 54.840 0.105 0.000 0.795 1054 L CB -1.192 40.904 42.059 0.062 0.000 1.042 1054 L HN 0.476 nan 8.230 nan 0.000 0.423 1055 R N -0.725 119.704 120.500 -0.117 0.000 2.096 1055 R HA -0.082 4.255 4.340 -0.006 0.000 0.235 1055 R C 2.109 178.155 176.300 -0.423 0.000 1.127 1055 R CA 1.654 57.632 56.100 -0.204 0.000 0.968 1055 R CB -0.386 29.774 30.300 -0.232 0.000 0.861 1055 R HN 0.427 nan 8.270 nan 0.000 0.440 1056 S N 0.643 116.065 115.700 -0.463 0.000 2.555 1056 S HA 0.013 4.479 4.470 -0.006 0.000 0.230 1056 S C 0.991 175.490 174.600 -0.168 0.000 0.978 1056 S CA 0.084 58.008 58.200 -0.459 0.000 0.934 1056 S CB 0.011 62.991 63.200 -0.366 0.000 0.766 1056 S HN -0.013 nan 8.310 nan 0.000 0.533 1057 V N 2.096 121.927 119.914 -0.139 0.000 3.237 1057 V HA 0.053 4.169 4.120 -0.006 0.000 0.305 1057 V C 0.611 176.790 176.094 0.140 0.000 1.096 1057 V CA -0.264 62.035 62.300 -0.002 0.000 1.130 1057 V CB 0.792 32.640 31.823 0.042 0.000 1.048 1057 V HN 0.103 nan 8.190 nan 0.000 0.484 1058 V N 2.643 122.637 119.914 0.134 0.000 2.583 1058 V HA 0.196 4.313 4.120 -0.006 0.000 0.287 1058 V C 0.131 176.355 176.094 0.217 0.000 1.051 1058 V CA -0.353 62.011 62.300 0.107 0.000 1.010 1058 V CB 0.501 32.328 31.823 0.007 0.000 0.988 1058 V HN 0.792 nan 8.190 nan 0.000 0.478 1059 H N 4.584 123.641 119.070 -0.021 0.000 2.517 1059 H HA 0.270 4.823 4.556 -0.006 0.000 0.317 1059 H C -2.348 172.964 175.328 -0.026 0.000 1.080 1059 H CA -2.094 53.964 56.048 0.016 0.000 1.301 1059 H CB 1.655 31.434 29.762 0.028 0.000 1.425 1059 H HN 0.449 nan 8.280 nan 0.000 0.471 1060 P HA -0.042 nan 4.420 nan 0.000 0.263 1060 P C 0.809 177.975 177.300 -0.224 0.000 1.195 1060 P CA 1.116 64.143 63.100 -0.122 0.000 0.762 1060 P CB 0.786 32.379 31.700 -0.178 0.000 0.799 1061 G N 2.403 111.053 108.800 -0.250 0.000 3.033 1061 G HA2 -0.154 3.803 3.960 -0.006 0.000 0.196 1061 G HA3 -0.154 3.803 3.960 -0.006 0.000 0.196 1061 G C -0.019 174.773 174.900 -0.180 0.000 1.078 1061 G CA -0.548 44.423 45.100 -0.215 0.000 0.805 1061 G HN 0.452 nan 8.290 nan 0.000 0.472 1062 E N 1.861 121.973 120.200 -0.148 0.000 3.025 1062 E HA 0.021 4.367 4.350 -0.006 0.000 0.248 1062 E C 0.618 177.102 176.600 -0.193 0.000 0.938 1062 E CA 0.591 56.886 56.400 -0.175 0.000 0.958 1062 E CB 0.127 29.681 29.700 -0.243 0.000 0.898 1062 E HN 0.305 nan 8.360 nan 0.000 0.537 1063 M N 4.799 124.307 119.600 -0.153 0.000 3.561 1063 M HA 0.033 4.510 4.480 -0.006 0.000 0.230 1063 M C 1.064 177.308 176.300 -0.094 0.000 1.387 1063 M CA -0.277 54.944 55.300 -0.132 0.000 1.570 1063 M CB -0.325 32.207 32.600 -0.112 0.000 1.057 1063 M HN 0.151 nan 8.290 nan 0.000 0.607 1064 V N 0.235 120.094 119.914 -0.092 0.000 2.490 1064 V HA -0.168 3.949 4.120 -0.006 0.000 0.250 1064 V C 2.417 178.543 176.094 0.052 0.000 1.061 1064 V CA 2.018 64.332 62.300 0.022 0.000 1.064 1064 V CB -1.569 30.360 31.823 0.177 0.000 0.670 1064 V HN 0.764 nan 8.190 nan 0.000 0.461 1065 G N 0.907 109.703 108.800 -0.006 0.000 2.719 1065 G HA2 -0.313 3.644 3.960 -0.006 0.000 0.219 1065 G HA3 -0.313 3.644 3.960 -0.006 0.000 0.219 1065 G C 1.620 176.496 174.900 -0.041 0.000 1.234 1065 G CA 1.882 46.961 45.100 -0.035 0.000 0.788 1065 G HN 0.381 nan 8.290 nan 0.000 0.619 1066 V N 1.010 120.889 119.914 -0.058 0.000 2.261 1066 V HA -0.165 3.952 4.120 -0.006 0.000 0.246 1066 V C 2.760 178.830 176.094 -0.041 0.000 1.047 1066 V CA 1.914 64.177 62.300 -0.063 0.000 1.015 1066 V CB -0.689 31.093 31.823 -0.067 0.000 0.642 1066 V HN 0.421 nan 8.190 nan 0.000 0.446 1067 L N 0.726 121.942 121.223 -0.012 0.000 2.034 1067 L HA -0.272 4.065 4.340 -0.006 0.000 0.217 1067 L C 2.385 179.262 176.870 0.011 0.000 1.077 1067 L CA 2.722 57.570 54.840 0.014 0.000 0.769 1067 L CB -0.716 41.385 42.059 0.071 0.000 0.890 1067 L HN 0.257 nan 8.230 nan 0.000 0.435 1068 A N -0.573 122.318 122.820 0.118 0.000 1.855 1068 A HA -0.062 4.255 4.320 -0.006 0.000 0.215 1068 A C 2.460 180.007 177.584 -0.062 0.000 1.191 1068 A CA 1.993 54.109 52.037 0.132 0.000 0.613 1068 A CB -1.372 17.752 19.000 0.208 0.000 0.829 1068 A HN 0.660 nan 8.150 nan 0.000 0.442 1069 A N -0.749 122.036 122.820 -0.058 0.000 1.870 1069 A HA -0.385 3.931 4.320 -0.006 0.000 0.219 1069 A C 2.099 179.607 177.584 -0.127 0.000 1.286 1069 A CA 2.454 54.435 52.037 -0.093 0.000 0.682 1069 A CB -1.199 17.742 19.000 -0.099 0.000 0.844 1069 A HN 0.624 nan 8.150 nan 0.000 0.460 1070 Q N -0.779 118.941 119.800 -0.132 0.000 2.103 1070 Q HA -0.232 4.105 4.340 -0.006 0.000 0.213 1070 Q C 2.302 178.161 176.000 -0.236 0.000 1.008 1070 Q CA 2.424 58.124 55.803 -0.172 0.000 0.879 1070 Q CB -0.303 28.353 28.738 -0.138 0.000 0.946 1070 Q HN 0.740 nan 8.270 nan 0.000 0.413 1071 S N -0.454 115.081 115.700 -0.276 0.000 2.493 1071 S HA -0.118 4.348 4.470 -0.006 0.000 0.243 1071 S C 1.520 175.961 174.600 -0.265 0.000 0.991 1071 S CA 1.003 58.987 58.200 -0.361 0.000 0.957 1071 S CB -0.094 62.632 63.200 -0.791 0.000 0.756 1071 S HN 0.348 nan 8.310 nan 0.000 0.521 1072 I N -0.253 120.196 120.570 -0.200 0.000 3.812 1072 I HA 0.198 4.364 4.170 -0.006 0.000 0.292 1072 I C 2.567 178.600 176.117 -0.140 0.000 1.206 1072 I CA 0.419 61.630 61.300 -0.147 0.000 1.370 1072 I CB -0.845 37.085 38.000 -0.117 0.000 1.328 1072 I HN 0.270 nan 8.210 nan 0.000 0.453 1073 G N 1.300 110.015 108.800 -0.142 0.000 2.503 1073 G HA2 -0.293 3.664 3.960 -0.006 0.000 0.221 1073 G HA3 -0.293 3.664 3.960 -0.006 0.000 0.221 1073 G C 1.490 176.301 174.900 -0.149 0.000 1.131 1073 G CA 1.071 46.096 45.100 -0.126 0.000 0.756 1073 G HN 0.282 nan 8.290 nan 0.000 0.572 1074 E N 0.864 120.932 120.200 -0.219 0.000 1.999 1074 E HA -0.082 4.265 4.350 -0.006 0.000 0.194 1074 E C 0.300 176.804 176.600 -0.160 0.000 0.995 1074 E CA 1.366 57.608 56.400 -0.263 0.000 0.825 1074 E CB -0.958 28.443 29.700 -0.499 0.000 0.777 1074 E HN 0.310 nan 8.360 nan 0.000 0.459 1075 P HA -0.171 nan 4.420 nan 0.000 0.221 1075 P C 1.041 178.296 177.300 -0.075 0.000 1.141 1075 P CA 1.769 64.816 63.100 -0.088 0.000 0.794 1075 P CB -0.111 31.538 31.700 -0.085 0.000 0.764 1076 A N 0.794 123.564 122.820 -0.084 0.000 1.845 1076 A HA -0.125 4.192 4.320 -0.006 0.000 0.215 1076 A C 1.954 179.509 177.584 -0.048 0.000 1.195 1076 A CA 2.363 54.362 52.037 -0.063 0.000 0.616 1076 A CB -1.994 16.968 19.000 -0.063 0.000 0.832 1076 A HN 0.301 nan 8.150 nan 0.000 0.443 1077 T N -0.307 114.214 114.554 -0.054 0.000 3.584 1077 T HA 0.097 4.443 4.350 -0.006 0.000 0.252 1077 T C 0.738 175.416 174.700 -0.037 0.000 1.103 1077 T CA 0.711 62.787 62.100 -0.040 0.000 0.977 1077 T CB -0.088 68.754 68.868 -0.044 0.000 1.044 1077 T HN 0.475 nan 8.240 nan 0.000 0.589 1078 Q N -0.261 119.516 119.800 -0.038 0.000 2.211 1078 Q HA 0.357 4.694 4.340 -0.006 0.000 0.242 1078 Q C 0.733 176.719 176.000 -0.022 0.000 0.825 1078 Q CA 0.188 55.973 55.803 -0.029 0.000 0.951 1078 Q CB 0.325 29.042 28.738 -0.034 0.000 1.130 1078 Q HN 0.571 nan 8.270 nan 0.000 0.496 1079 M N 1.037 120.623 119.600 -0.023 0.000 2.114 1079 M HA 0.443 4.920 4.480 -0.006 0.000 0.293 1079 M C -0.314 175.979 176.300 -0.011 0.000 1.201 1079 M CA 0.501 55.791 55.300 -0.017 0.000 1.107 1079 M CB 0.763 33.351 32.600 -0.020 0.000 1.405 1079 M HN -0.126 nan 8.290 nan 0.000 0.486 1080 T N 0.417 114.968 114.554 -0.006 0.000 3.209 1080 T HA 0.375 4.722 4.350 -0.006 0.000 0.399 1080 T C -1.048 173.654 174.700 0.002 0.000 1.719 1080 T CA -0.930 61.169 62.100 -0.002 0.000 1.039 1080 T CB 0.450 69.316 68.868 -0.003 0.000 1.742 1080 T HN 0.709 nan 8.240 nan 0.000 0.485 1093 K N 1.466 121.885 120.400 0.032 0.000 3.082 1093 K HA 0.246 4.563 4.320 -0.006 0.000 0.203 1093 K C -0.076 176.539 176.600 0.026 0.000 1.177 1093 K CA -0.367 55.934 56.287 0.024 0.000 1.041 1093 K CB 1.179 33.690 32.500 0.018 0.000 1.312 1093 K HN -0.061 nan 8.250 nan 0.000 0.526 1094 V N 0.728 120.659 119.914 0.029 0.000 2.581 1094 V HA 0.197 4.313 4.120 -0.006 0.000 0.303 1094 V C 0.437 176.547 176.094 0.027 0.000 1.041 1094 V CA -1.011 61.307 62.300 0.031 0.000 0.907 1094 V CB 1.668 33.516 31.823 0.041 0.000 0.994 1094 V HN 0.374 nan 8.190 nan 0.000 0.442 1095 T N 3.443 118.013 114.554 0.027 0.000 2.751 1095 T HA 0.363 4.709 4.350 -0.006 0.000 0.279 1095 T C 0.350 175.068 174.700 0.030 0.000 0.941 1095 T CA 0.027 62.143 62.100 0.027 0.000 1.192 1095 T CB -0.274 68.612 68.868 0.030 0.000 0.883 1095 T HN 1.004 nan 8.240 nan 0.000 0.534 1096 S N 2.051 117.765 115.700 0.024 0.000 2.685 1096 S HA 0.902 5.369 4.470 -0.006 0.000 0.282 1096 S C 0.300 174.907 174.600 0.012 0.000 1.159 1096 S CA -0.408 57.804 58.200 0.020 0.000 0.833 1096 S CB 1.506 64.719 63.200 0.021 0.000 1.151 1096 S HN 1.481 nan 8.310 nan 0.000 0.485 1097 G N 0.081 108.884 108.800 0.004 0.000 2.801 1097 G HA2 -0.119 3.838 3.960 -0.006 0.000 0.244 1097 G HA3 -0.119 3.838 3.960 -0.006 0.000 0.244 1097 G C 0.659 175.558 174.900 -0.000 0.000 1.385 1097 G CA 0.216 45.315 45.100 -0.003 0.000 0.894 1097 G HN 1.831 nan 8.290 nan 0.000 0.562 1098 V N 1.086 120.998 119.914 -0.003 0.000 2.308 1098 V HA -0.362 3.754 4.120 -0.006 0.000 0.252 1098 V C 1.172 177.273 176.094 0.012 0.000 1.066 1098 V CA 3.912 66.213 62.300 0.002 0.000 1.104 1098 V CB -2.347 29.479 31.823 0.005 0.000 0.786 1098 V HN 0.975 nan 8.190 nan 0.000 0.473 1099 P HA -0.304 nan 4.420 nan 0.000 0.216 1099 P C 1.570 178.886 177.300 0.027 0.000 1.167 1099 P CA 2.711 65.824 63.100 0.021 0.000 0.933 1099 P CB -0.245 31.467 31.700 0.019 0.000 0.793 1100 R N 0.224 120.739 120.500 0.025 0.000 2.122 1100 R HA -0.170 4.167 4.340 -0.006 0.000 0.236 1100 R C 2.601 178.918 176.300 0.029 0.000 1.129 1100 R CA 1.774 57.894 56.100 0.033 0.000 0.925 1100 R CB -1.870 28.447 30.300 0.029 0.000 0.850 1100 R HN 0.133 nan 8.270 nan 0.000 0.431 1101 L N 1.203 122.431 121.223 0.009 0.000 2.034 1101 L HA -0.294 4.042 4.340 -0.006 0.000 0.217 1101 L C 2.405 179.283 176.870 0.013 0.000 1.077 1101 L CA 2.563 57.400 54.840 -0.005 0.000 0.769 1101 L CB -0.630 41.419 42.059 -0.018 0.000 0.890 1101 L HN 0.370 nan 8.230 nan 0.000 0.435 1102 K N -0.695 119.720 120.400 0.024 0.000 2.001 1102 K HA -0.303 4.013 4.320 -0.006 0.000 0.214 1102 K C 2.050 178.679 176.600 0.048 0.000 1.050 1102 K CA 2.178 58.488 56.287 0.037 0.000 0.934 1102 K CB -0.254 32.272 32.500 0.043 0.000 0.718 1102 K HN 0.429 nan 8.250 nan 0.000 0.443 1103 E N 0.325 120.559 120.200 0.056 0.000 2.026 1103 E HA -0.247 4.100 4.350 -0.006 0.000 0.206 1103 E C 2.011 178.688 176.600 0.128 0.000 1.028 1103 E CA 2.267 58.716 56.400 0.082 0.000 0.845 1103 E CB -0.131 29.623 29.700 0.089 0.000 0.772 1103 E HN 0.235 nan 8.360 nan 0.000 0.462 1104 I N 0.423 121.072 120.570 0.132 0.000 2.091 1104 I HA -0.334 3.832 4.170 -0.006 0.000 0.240 1104 I C 2.499 178.683 176.117 0.112 0.000 1.046 1104 I CA 1.599 62.976 61.300 0.128 0.000 1.306 1104 I CB -1.340 36.639 38.000 -0.035 0.000 1.018 1104 I HN 0.242 nan 8.210 nan 0.000 0.404 1105 L N 0.422 121.673 121.223 0.047 0.000 2.191 1105 L HA -0.171 4.166 4.340 -0.006 0.000 0.212 1105 L C 2.037 178.947 176.870 0.066 0.000 1.103 1105 L CA 1.203 56.067 54.840 0.040 0.000 0.769 1105 L CB -0.718 41.347 42.059 0.010 0.000 0.908 1105 L HN 0.319 nan 8.230 nan 0.000 0.438 1106 N N -0.159 118.583 118.700 0.070 0.000 2.515 1106 N HA -0.006 4.731 4.740 -0.006 0.000 0.185 1106 N C 0.204 175.757 175.510 0.072 0.000 1.109 1106 N CA 0.496 53.572 53.050 0.044 0.000 0.903 1106 N CB 0.406 38.912 38.487 0.031 0.000 0.969 1106 N HN 0.068 nan 8.380 nan 0.000 0.450 1107 V N 0.582 120.594 119.914 0.164 0.000 6.029 1107 V HA -0.258 3.858 4.120 -0.006 0.000 0.242 1107 V C 0.468 176.593 176.094 0.052 0.000 0.637 1107 V CA 0.177 62.592 62.300 0.191 0.000 0.603 1107 V CB -2.772 29.143 31.823 0.154 0.000 0.423 1107 V HN 0.362 nan 8.190 nan 0.000 0.520 1108 A N 3.060 125.915 122.820 0.059 0.000 2.475 1108 A HA 0.373 4.689 4.320 -0.006 0.000 0.293 1108 A C 1.364 178.909 177.584 -0.065 0.000 1.252 1108 A CA 0.055 52.096 52.037 0.007 0.000 0.920 1108 A CB 0.325 19.350 19.000 0.043 0.000 1.125 1108 A HN 0.583 nan 8.150 nan 0.000 0.528 1109 K N 1.921 122.284 120.400 -0.062 0.000 2.007 1109 K HA -0.056 4.260 4.320 -0.006 0.000 0.206 1109 K C 0.799 177.366 176.600 -0.055 0.000 1.047 1109 K CA 0.854 57.093 56.287 -0.080 0.000 0.937 1109 K CB -0.137 32.332 32.500 -0.052 0.000 0.718 1109 K HN 0.798 nan 8.250 nan 0.000 0.438 1110 N N 2.680 121.362 118.700 -0.030 0.000 2.799 1110 N HA -0.128 4.609 4.740 -0.006 0.000 0.202 1110 N C 0.579 176.081 175.510 -0.013 0.000 1.502 1110 N CA 0.304 53.344 53.050 -0.017 0.000 0.957 1110 N CB -0.622 37.862 38.487 -0.005 0.000 1.148 1110 N HN 0.418 nan 8.380 nan 0.000 0.455 1111 M N -0.994 118.593 119.600 -0.021 0.000 2.238 1111 M HA 0.107 4.584 4.480 -0.006 0.000 0.350 1111 M C 0.851 177.148 176.300 -0.005 0.000 1.321 1111 M CA 0.218 55.513 55.300 -0.009 0.000 1.097 1111 M CB 0.968 33.561 32.600 -0.012 0.000 1.713 1111 M HN -0.319 nan 8.290 nan 0.000 0.455 1112 K N 1.536 121.939 120.400 0.006 0.000 2.155 1112 K HA 0.054 4.370 4.320 -0.006 0.000 0.203 1112 K C 0.063 176.667 176.600 0.006 0.000 1.052 1112 K CA 1.097 57.387 56.287 0.006 0.000 0.948 1112 K CB 0.350 32.857 32.500 0.011 0.000 0.728 1112 K HN 0.839 nan 8.250 nan 0.000 0.448 1113 T N 2.478 117.037 114.554 0.009 0.000 3.410 1113 T HA 0.260 4.607 4.350 -0.006 0.000 0.328 1113 T C -2.656 172.044 174.700 0.000 0.000 1.567 1113 T CA -1.502 60.602 62.100 0.007 0.000 1.626 1113 T CB 1.237 70.115 68.868 0.015 0.000 0.939 1113 T HN -0.048 nan 8.240 nan 0.000 0.656 1114 P HA 0.507 nan 4.420 nan 0.000 0.282 1114 P C -0.330 176.955 177.300 -0.024 0.000 1.286 1114 P CA -0.379 62.706 63.100 -0.025 0.000 0.777 1114 P CB 0.640 32.320 31.700 -0.034 0.000 1.184 1115 S N -1.173 114.503 115.700 -0.040 0.000 2.754 1115 S HA 0.290 4.757 4.470 -0.006 0.000 0.302 1115 S C -1.977 172.585 174.600 -0.063 0.000 0.922 1115 S CA -0.728 57.450 58.200 -0.035 0.000 0.822 1115 S CB -0.195 62.997 63.200 -0.015 0.000 1.020 1115 S HN 0.172 nan 8.310 nan 0.000 0.475 1116 L N 3.336 124.528 121.223 -0.051 0.000 2.322 1116 L HA 0.748 5.085 4.340 -0.006 0.000 0.279 1116 L C 0.136 176.971 176.870 -0.058 0.000 1.036 1116 L CA 0.110 54.914 54.840 -0.059 0.000 0.807 1116 L CB 1.567 43.600 42.059 -0.043 0.000 1.226 1116 L HN 0.907 nan 8.230 nan 0.000 0.433 1117 T N 3.135 117.654 114.554 -0.060 0.000 3.009 1117 T HA 0.426 4.773 4.350 -0.006 0.000 0.346 1117 T C -0.302 174.263 174.700 -0.224 0.000 1.092 1117 T CA -0.447 61.591 62.100 -0.103 0.000 1.080 1117 T CB 1.034 69.902 68.868 0.001 0.000 1.037 1117 T HN 0.376 nan 8.240 nan 0.000 0.487 1118 V N 1.632 121.404 119.914 -0.237 0.000 2.539 1118 V HA 0.796 4.912 4.120 -0.006 0.000 0.292 1118 V C -1.082 174.847 176.094 -0.274 0.000 1.045 1118 V CA -0.877 61.301 62.300 -0.204 0.000 0.945 1118 V CB 0.538 32.320 31.823 -0.068 0.000 0.993 1118 V HN 0.697 nan 8.190 nan 0.000 0.464 1119 Y N 2.226 122.565 120.300 0.066 0.000 2.630 1119 Y HA 0.731 5.278 4.550 -0.006 0.000 0.337 1119 Y C 0.025 175.965 175.900 0.068 0.000 1.051 1119 Y CA -1.322 56.820 58.100 0.070 0.000 1.121 1119 Y CB 1.215 39.727 38.460 0.086 0.000 1.299 1119 Y HN 0.463 nan 8.280 nan 0.000 0.498 1120 L N 1.067 122.455 121.223 0.275 0.000 2.476 1120 L HA 0.122 4.458 4.340 -0.006 0.000 0.255 1120 L C 0.458 177.422 176.870 0.157 0.000 1.218 1120 L CA -0.331 54.621 54.840 0.188 0.000 0.819 1120 L CB 0.172 42.350 42.059 0.199 0.000 1.119 1120 L HN 0.683 nan 8.230 nan 0.000 0.485 1121 E N 1.834 122.126 120.200 0.154 0.000 2.390 1121 E HA 0.054 4.400 4.350 -0.006 0.000 0.261 1121 E C -1.751 174.920 176.600 0.118 0.000 1.076 1121 E CA -1.124 55.359 56.400 0.140 0.000 0.905 1121 E CB 0.947 30.767 29.700 0.199 0.000 0.984 1121 E HN 0.350 nan 8.360 nan 0.000 0.427 1122 P HA -0.201 nan 4.420 nan 0.000 0.217 1122 P C 0.841 178.124 177.300 -0.028 0.000 1.162 1122 P CA 2.213 65.317 63.100 0.006 0.000 0.901 1122 P CB 0.080 31.771 31.700 -0.015 0.000 0.793 1123 G N -2.281 106.455 108.800 -0.108 0.000 2.453 1123 G HA2 -0.113 3.844 3.960 -0.006 0.000 0.215 1123 G HA3 -0.113 3.844 3.960 -0.006 0.000 0.215 1123 G C 0.500 175.302 174.900 -0.164 0.000 1.147 1123 G CA 0.168 45.166 45.100 -0.171 0.000 0.802 1123 G HN 0.325 nan 8.290 nan 0.000 0.535 1124 H N 1.293 120.385 119.070 0.036 0.000 3.330 1124 H HA 0.459 5.012 4.556 -0.006 0.000 0.260 1124 H C 1.003 176.376 175.328 0.076 0.000 1.439 1124 H CA 0.274 56.352 56.048 0.051 0.000 1.540 1124 H CB 0.610 30.397 29.762 0.041 0.000 1.698 1124 H HN 0.287 nan 8.280 nan 0.000 0.516 1125 A N 2.521 125.440 122.820 0.165 0.000 2.080 1125 A HA 0.405 4.722 4.320 -0.006 0.000 0.211 1125 A C 1.654 179.379 177.584 0.236 0.000 1.708 1125 A CA 0.573 52.703 52.037 0.155 0.000 0.825 1125 A CB -0.036 19.012 19.000 0.081 0.000 1.261 1125 A HN 0.519 nan 8.150 nan 0.000 0.573 1126 A N 0.359 123.313 122.820 0.223 0.000 2.630 1126 A HA 0.350 4.667 4.320 -0.006 0.000 0.290 1126 A C -0.682 177.074 177.584 0.287 0.000 1.267 1126 A CA -0.271 51.973 52.037 0.344 0.000 0.950 1126 A CB -0.252 18.892 19.000 0.240 0.000 1.144 1126 A HN 0.288 nan 8.150 nan 0.000 0.527 1127 D N 1.557 122.081 120.400 0.207 0.000 2.380 1127 D HA 0.013 4.650 4.640 -0.006 0.000 0.270 1127 D C 1.559 177.882 176.300 0.038 0.000 1.363 1127 D CA 0.424 54.495 54.000 0.117 0.000 1.057 1127 D CB 0.692 41.546 40.800 0.090 0.000 1.096 1127 D HN 0.709 nan 8.370 nan 0.000 0.524 1128 Q N 1.832 121.654 119.800 0.038 0.000 2.376 1128 Q HA -0.241 4.095 4.340 -0.006 0.000 0.211 1128 Q C 1.423 177.245 176.000 -0.297 0.000 0.986 1128 Q CA 1.570 57.245 55.803 -0.214 0.000 0.886 1128 Q CB 0.102 28.826 28.738 -0.022 0.000 0.927 1128 Q HN 0.562 nan 8.270 nan 0.000 0.457 1129 E N 0.179 120.291 120.200 -0.146 0.000 2.022 1129 E HA -0.256 4.090 4.350 -0.006 0.000 0.190 1129 E C 2.027 178.541 176.600 -0.143 0.000 0.973 1129 E CA 0.916 57.236 56.400 -0.133 0.000 0.816 1129 E CB -0.178 29.479 29.700 -0.072 0.000 0.781 1129 E HN 0.486 nan 8.360 nan 0.000 0.456 1130 Q N 0.927 120.663 119.800 -0.107 0.000 2.268 1130 Q HA -0.219 4.118 4.340 -0.006 0.000 0.210 1130 Q C 1.603 177.528 176.000 -0.123 0.000 0.988 1130 Q CA 2.007 57.738 55.803 -0.120 0.000 0.883 1130 Q CB -0.412 28.247 28.738 -0.132 0.000 0.911 1130 Q HN 0.362 nan 8.270 nan 0.000 0.430 1131 A N 0.307 123.030 122.820 -0.163 0.000 1.858 1131 A HA -0.225 4.092 4.320 -0.006 0.000 0.216 1131 A C 1.948 179.412 177.584 -0.200 0.000 1.190 1131 A CA 1.730 53.652 52.037 -0.192 0.000 0.617 1131 A CB -0.572 18.195 19.000 -0.389 0.000 0.827 1131 A HN 0.415 nan 8.150 nan 0.000 0.443 1132 K N -0.120 120.136 120.400 -0.240 0.000 1.990 1132 K HA -0.207 4.110 4.320 -0.006 0.000 0.225 1132 K C 1.820 178.326 176.600 -0.155 0.000 1.053 1132 K CA 1.982 58.143 56.287 -0.210 0.000 0.982 1132 K CB -0.744 31.639 32.500 -0.195 0.000 0.734 1132 K HN 0.429 nan 8.250 nan 0.000 0.448 1133 L N 0.558 121.703 121.223 -0.130 0.000 2.059 1133 L HA -0.373 3.964 4.340 -0.006 0.000 0.242 1133 L C 2.330 179.146 176.870 -0.090 0.000 1.107 1133 L CA 2.409 57.188 54.840 -0.103 0.000 0.836 1133 L CB -1.428 40.571 42.059 -0.099 0.000 0.933 1133 L HN 0.350 nan 8.230 nan 0.000 0.446 1134 I N -1.113 119.407 120.570 -0.084 0.000 2.103 1134 I HA -0.424 3.743 4.170 -0.006 0.000 0.241 1134 I C 2.722 178.801 176.117 -0.063 0.000 1.036 1134 I CA 1.966 63.229 61.300 -0.063 0.000 1.300 1134 I CB -0.735 37.234 38.000 -0.052 0.000 1.010 1134 I HN 0.340 nan 8.210 nan 0.000 0.406 1135 R N 1.622 122.069 120.500 -0.087 0.000 2.292 1135 R HA -0.286 4.051 4.340 -0.006 0.000 0.223 1135 R C 2.245 178.509 176.300 -0.059 0.000 1.088 1135 R CA 3.217 59.262 56.100 -0.090 0.000 0.849 1135 R CB -0.614 29.588 30.300 -0.163 0.000 0.852 1135 R HN 0.600 nan 8.270 nan 0.000 0.424 1136 S N -0.958 114.695 115.700 -0.078 0.000 2.723 1136 S HA 0.080 4.547 4.470 -0.006 0.000 0.231 1136 S C 1.145 175.718 174.600 -0.045 0.000 0.967 1136 S CA 0.522 58.688 58.200 -0.057 0.000 0.958 1136 S CB 0.492 63.648 63.200 -0.075 0.000 0.778 1136 S HN 0.540 nan 8.310 nan 0.000 0.537 1137 A N 0.898 123.692 122.820 -0.042 0.000 2.108 1137 A HA 0.413 4.730 4.320 -0.006 0.000 0.206 1137 A C 1.755 179.327 177.584 -0.020 0.000 1.212 1137 A CA 0.105 52.122 52.037 -0.035 0.000 0.843 1137 A CB 0.077 19.052 19.000 -0.041 0.000 0.902 1137 A HN 0.507 nan 8.150 nan 0.000 0.477 1138 I N -0.586 119.975 120.570 -0.015 0.000 3.136 1138 I HA 0.078 4.245 4.170 -0.006 0.000 0.262 1138 I C 1.134 177.265 176.117 0.023 0.000 1.132 1138 I CA 0.437 61.735 61.300 -0.002 0.000 1.450 1138 I CB -1.603 36.392 38.000 -0.009 0.000 1.315 1138 I HN 0.469 nan 8.210 nan 0.000 0.460 1139 E N 3.730 123.948 120.200 0.030 0.000 2.414 1139 E HA -0.238 4.109 4.350 -0.006 0.000 0.246 1139 E C 0.151 176.807 176.600 0.092 0.000 1.200 1139 E CA 0.106 56.543 56.400 0.062 0.000 0.994 1139 E CB -0.823 28.918 29.700 0.070 0.000 1.098 1139 E HN 0.265 nan 8.360 nan 0.000 0.452 1140 H N 2.382 121.444 119.070 -0.014 0.000 3.170 1140 H HA -0.192 4.361 4.556 -0.006 0.000 0.303 1140 H C -0.974 174.343 175.328 -0.019 0.000 0.966 1140 H CA 1.546 57.582 56.048 -0.020 0.000 1.310 1140 H CB 0.417 30.166 29.762 -0.021 0.000 1.177 1140 H HN 0.411 nan 8.280 nan 0.000 0.595 1141 T N 5.219 119.611 114.554 -0.271 0.000 3.842 1141 T HA 0.218 4.565 4.350 -0.006 0.000 0.336 1141 T C -0.304 174.225 174.700 -0.285 0.000 0.900 1141 T CA -0.342 61.597 62.100 -0.268 0.000 1.022 1141 T CB 0.434 69.241 68.868 -0.102 0.000 1.068 1141 T HN 0.784 nan 8.240 nan 0.000 0.464 1142 T N 1.091 115.451 114.554 -0.324 0.000 2.754 1142 T HA 0.435 4.782 4.350 -0.006 0.000 0.286 1142 T C 1.439 176.069 174.700 -0.118 0.000 0.997 1142 T CA -0.807 61.174 62.100 -0.198 0.000 0.982 1142 T CB 0.692 69.463 68.868 -0.162 0.000 1.027 1142 T HN 0.205 nan 8.240 nan 0.000 0.529 1143 L N 0.683 121.857 121.223 -0.080 0.000 1.988 1143 L HA 0.126 4.462 4.340 -0.006 0.000 0.207 1143 L C 2.639 179.476 176.870 -0.054 0.000 1.071 1143 L CA 1.821 56.626 54.840 -0.059 0.000 0.744 1143 L CB -1.445 40.593 42.059 -0.034 0.000 0.893 1143 L HN 0.884 nan 8.230 nan 0.000 0.433 1144 K N -0.391 119.980 120.400 -0.047 0.000 2.148 1144 K HA -0.293 4.024 4.320 -0.006 0.000 0.213 1144 K C 1.972 178.544 176.600 -0.047 0.000 1.050 1144 K CA 2.291 58.554 56.287 -0.040 0.000 0.932 1144 K CB -0.340 32.136 32.500 -0.040 0.000 0.717 1144 K HN 0.666 nan 8.250 nan 0.000 0.462 1145 S N -0.737 114.923 115.700 -0.066 0.000 2.493 1145 S HA -0.097 4.370 4.470 -0.006 0.000 0.243 1145 S C 1.628 176.198 174.600 -0.051 0.000 0.991 1145 S CA 1.263 59.424 58.200 -0.064 0.000 0.957 1145 S CB -0.131 63.017 63.200 -0.087 0.000 0.756 1145 S HN 0.256 nan 8.310 nan 0.000 0.521 1146 V N -2.108 117.777 119.914 -0.048 0.000 3.473 1146 V HA 0.207 4.324 4.120 -0.006 0.000 0.253 1146 V C 0.676 176.751 176.094 -0.032 0.000 1.340 1146 V CA 0.071 62.346 62.300 -0.042 0.000 1.103 1146 V CB -1.092 30.700 31.823 -0.051 0.000 0.881 1146 V HN 0.291 nan 8.190 nan 0.000 0.451 1147 T N 3.552 118.089 114.554 -0.029 0.000 2.792 1147 T HA 0.200 4.547 4.350 -0.006 0.000 0.286 1147 T C 1.215 175.908 174.700 -0.011 0.000 0.970 1147 T CA 0.321 62.411 62.100 -0.017 0.000 1.187 1147 T CB 0.755 69.615 68.868 -0.013 0.000 0.915 1147 T HN 0.054 nan 8.240 nan 0.000 0.529 1148 I N 2.039 122.606 120.570 -0.005 0.000 2.146 1148 I HA 0.151 4.317 4.170 -0.006 0.000 0.231 1148 I C 1.445 177.566 176.117 0.006 0.000 1.063 1148 I CA 0.970 62.270 61.300 -0.000 0.000 1.340 1148 I CB -0.992 37.010 38.000 0.004 0.000 1.100 1148 I HN 0.644 nan 8.210 nan 0.000 0.403 1149 A N -0.069 122.760 122.820 0.015 0.000 2.413 1149 A HA 0.600 4.916 4.320 -0.006 0.000 0.307 1149 A C -0.425 177.178 177.584 0.032 0.000 1.087 1149 A CA -0.260 51.792 52.037 0.025 0.000 0.750 1149 A CB 1.585 20.606 19.000 0.035 0.000 1.296 1149 A HN 0.314 nan 8.150 nan 0.000 0.423 1150 S N 1.051 116.774 115.700 0.038 0.000 2.519 1150 S HA 0.694 5.160 4.470 -0.006 0.000 0.309 1150 S C -0.741 173.901 174.600 0.069 0.000 1.100 1150 S CA -0.383 57.844 58.200 0.046 0.000 1.059 1150 S CB 1.048 64.269 63.200 0.035 0.000 1.008 1150 S HN 0.698 nan 8.310 nan 0.000 0.478 1151 E N 1.941 122.200 120.200 0.099 0.000 2.378 1151 E HA 0.616 4.963 4.350 -0.006 0.000 0.265 1151 E C -1.464 175.251 176.600 0.191 0.000 0.932 1151 E CA -0.949 55.551 56.400 0.166 0.000 0.795 1151 E CB 1.752 31.628 29.700 0.292 0.000 1.296 1151 E HN 0.560 nan 8.360 nan 0.000 0.438 1152 I N 2.185 122.903 120.570 0.246 0.000 2.583 1152 I HA 0.201 4.367 4.170 -0.006 0.000 0.276 1152 I C -1.434 174.917 176.117 0.390 0.000 1.089 1152 I CA -0.224 61.225 61.300 0.249 0.000 1.103 1152 I CB 0.356 38.407 38.000 0.086 0.000 1.209 1152 I HN 0.357 nan 8.210 nan 0.000 0.484 1153 Y N 3.946 124.359 120.300 0.188 0.000 2.316 1153 Y HA 0.263 4.809 4.550 -0.006 0.000 0.324 1153 Y C -0.172 175.964 175.900 0.394 0.000 1.267 1153 Y CA -0.622 57.624 58.100 0.242 0.000 1.311 1153 Y CB 0.737 39.294 38.460 0.161 0.000 1.267 1153 Y HN 0.433 nan 8.280 nan 0.000 0.516 1154 Y N 2.950 123.503 120.300 0.422 0.000 2.504 1154 Y HA 0.291 4.838 4.550 -0.006 0.000 0.339 1154 Y C -0.766 175.188 175.900 0.090 0.000 0.974 1154 Y CA -0.422 57.801 58.100 0.204 0.000 1.232 1154 Y CB 0.305 38.807 38.460 0.070 0.000 1.108 1154 Y HN 0.525 nan 8.280 nan 0.000 0.509 1155 D N 9.145 129.527 120.400 -0.029 0.000 2.420 1155 D HA 0.212 4.849 4.640 -0.006 0.000 0.255 1155 D C -2.229 173.912 176.300 -0.266 0.000 1.185 1155 D CA -2.029 51.971 54.000 -0.000 0.000 0.904 1155 D CB 2.148 42.987 40.800 0.066 0.000 1.102 1155 D HN 0.328 nan 8.370 nan 0.000 0.534 1156 P HA 0.017 nan 4.420 nan 0.000 0.222 1156 P C 0.272 177.467 177.300 -0.175 0.000 1.157 1156 P CA 0.230 63.090 63.100 -0.399 0.000 0.816 1156 P CB 0.597 32.181 31.700 -0.193 0.000 0.813 1157 D N 1.015 121.367 120.400 -0.080 0.000 2.435 1157 D HA 0.123 4.759 4.640 -0.006 0.000 0.230 1157 D C -1.511 174.765 176.300 -0.040 0.000 1.215 1157 D CA -2.372 51.601 54.000 -0.045 0.000 0.947 1157 D CB 0.546 41.342 40.800 -0.006 0.000 1.048 1157 D HN -0.016 nan 8.370 nan 0.000 0.512 1158 P HA -0.224 nan 4.420 nan 0.000 0.213 1158 P C 1.310 178.606 177.300 -0.007 0.000 1.170 1158 P CA 1.091 64.162 63.100 -0.048 0.000 0.902 1158 P CB 0.147 31.789 31.700 -0.097 0.000 0.789 1159 R N 0.203 120.698 120.500 -0.009 0.000 2.154 1159 R HA -0.069 4.268 4.340 -0.006 0.000 0.248 1159 R C 0.931 177.252 176.300 0.035 0.000 1.155 1159 R CA 1.569 57.682 56.100 0.022 0.000 0.979 1159 R CB -1.380 28.923 30.300 0.005 0.000 0.869 1159 R HN 0.427 nan 8.270 nan 0.000 0.452 1160 S N -1.642 114.071 115.700 0.022 0.000 2.547 1160 S HA 0.346 4.813 4.470 -0.006 0.000 0.270 1160 S C -0.464 174.152 174.600 0.025 0.000 1.150 1160 S CA -1.024 57.192 58.200 0.026 0.000 0.850 1160 S CB 2.339 65.556 63.200 0.028 0.000 1.118 1160 S HN -0.016 nan 8.310 nan 0.000 0.461 1161 T N 1.349 115.918 114.554 0.026 0.000 2.754 1161 T HA 0.395 4.742 4.350 -0.006 0.000 0.286 1161 T C 1.388 176.118 174.700 0.051 0.000 0.997 1161 T CA -0.430 61.691 62.100 0.033 0.000 0.982 1161 T CB 0.803 69.681 68.868 0.016 0.000 1.027 1161 T HN 0.713 nan 8.240 nan 0.000 0.529 1162 V N -0.254 119.708 119.914 0.080 0.000 3.471 1162 V HA 0.259 4.376 4.120 -0.006 0.000 0.258 1162 V C 0.518 176.679 176.094 0.111 0.000 1.192 1162 V CA 0.452 62.818 62.300 0.109 0.000 1.116 1162 V CB -0.623 31.304 31.823 0.174 0.000 0.792 1162 V HN 0.631 nan 8.190 nan 0.000 0.459 1163 I N 1.555 122.176 120.570 0.084 0.000 2.359 1163 I HA 0.319 4.486 4.170 -0.006 0.000 0.284 1163 I C -1.436 174.701 176.117 0.032 0.000 1.018 1163 I CA -2.060 59.280 61.300 0.068 0.000 1.173 1163 I CB 1.600 39.617 38.000 0.028 0.000 1.326 1163 I HN -0.068 nan 8.210 nan 0.000 0.462 1164 P HA -0.246 nan 4.420 nan 0.000 0.217 1164 P C 1.137 178.444 177.300 0.012 0.000 1.162 1164 P CA 1.664 64.778 63.100 0.024 0.000 0.901 1164 P CB 0.198 31.916 31.700 0.029 0.000 0.793 1165 E N -0.510 119.697 120.200 0.012 0.000 2.147 1165 E HA -0.202 4.144 4.350 -0.006 0.000 0.199 1165 E C 0.803 177.393 176.600 -0.016 0.000 1.005 1165 E CA 1.274 57.674 56.400 -0.000 0.000 0.810 1165 E CB -0.569 29.131 29.700 0.000 0.000 0.736 1165 E HN 0.328 nan 8.360 nan 0.000 0.460 1166 D N -0.174 120.212 120.400 -0.023 0.000 2.336 1166 D HA 0.008 4.644 4.640 -0.006 0.000 0.228 1166 D C 1.137 177.421 176.300 -0.027 0.000 1.120 1166 D CA 0.113 54.091 54.000 -0.036 0.000 0.839 1166 D CB 0.128 40.898 40.800 -0.051 0.000 0.932 1166 D HN 0.206 nan 8.370 nan 0.000 0.509 1167 E N 0.757 120.948 120.200 -0.016 0.000 2.016 1167 E HA -0.168 4.179 4.350 -0.006 0.000 0.190 1167 E C 1.543 178.128 176.600 -0.026 0.000 0.985 1167 E CA 0.609 57.002 56.400 -0.012 0.000 0.802 1167 E CB 0.289 29.988 29.700 -0.002 0.000 0.762 1167 E HN 0.260 nan 8.360 nan 0.000 0.448 1168 E N 0.269 120.449 120.200 -0.033 0.000 2.054 1168 E HA -0.260 4.087 4.350 -0.006 0.000 0.225 1168 E C 1.880 178.428 176.600 -0.087 0.000 1.048 1168 E CA 2.042 58.411 56.400 -0.052 0.000 0.899 1168 E CB -0.326 29.342 29.700 -0.052 0.000 0.801 1168 E HN 0.223 nan 8.360 nan 0.000 0.495 1169 I N 1.097 121.604 120.570 -0.106 0.000 2.963 1169 I HA -0.308 3.859 4.170 -0.006 0.000 0.277 1169 I C 1.507 177.532 176.117 -0.153 0.000 1.238 1169 I CA 0.855 62.060 61.300 -0.159 0.000 1.443 1169 I CB -0.462 37.465 38.000 -0.122 0.000 1.134 1169 I HN 0.289 nan 8.210 nan 0.000 0.493 1170 I N -1.278 119.233 120.570 -0.098 0.000 3.565 1170 I HA -0.013 4.154 4.170 -0.006 0.000 0.287 1170 I C 2.259 178.346 176.117 -0.050 0.000 1.193 1170 I CA 0.578 61.849 61.300 -0.049 0.000 1.402 1170 I CB -1.312 36.687 38.000 -0.002 0.000 1.284 1170 I HN 0.272 nan 8.210 nan 0.000 0.454 1171 Q N 2.226 122.002 119.800 -0.041 0.000 2.096 1171 Q HA -0.123 4.214 4.340 -0.006 0.000 0.208 1171 Q C 0.726 176.602 176.000 -0.207 0.000 0.993 1171 Q CA 1.269 57.074 55.803 0.003 0.000 0.862 1171 Q CB -0.502 28.237 28.738 0.001 0.000 0.915 1171 Q HN 0.468 nan 8.270 nan 0.000 0.416 1172 L N 0.602 121.628 121.223 -0.328 0.000 2.358 1172 L HA 0.392 4.729 4.340 -0.006 0.000 0.274 1172 L C -0.482 176.005 176.870 -0.639 0.000 1.136 1172 L CA -0.260 54.253 54.840 -0.546 0.000 0.970 1172 L CB -0.085 41.754 42.059 -0.367 0.000 1.314 1172 L HN 0.128 nan 8.230 nan 0.000 0.427 1173 H N 5.099 123.560 119.070 -1.014 0.000 3.068 1173 H HA 0.286 4.839 4.556 -0.006 0.000 0.231 1173 H C -1.326 173.735 175.328 -0.446 0.000 1.339 1173 H CA -1.120 54.558 56.048 -0.617 0.000 1.433 1173 H CB 0.368 29.914 29.762 -0.359 0.000 2.168 1173 H HN 0.606 nan 8.280 nan 0.000 0.623 1174 F N -0.289 119.739 119.950 0.129 0.000 3.271 1174 F HA 0.453 4.977 4.527 -0.006 0.000 0.432 1174 F C -0.737 175.089 175.800 0.044 0.000 1.038 1174 F CA -0.711 57.321 58.000 0.053 0.000 1.301 1174 F CB -0.144 38.876 39.000 0.034 0.000 2.756 1174 F HN 0.101 nan 8.300 nan 0.000 0.651 1175 S N 2.184 117.976 115.700 0.153 0.000 2.582 1175 S HA 0.495 4.962 4.470 -0.006 0.000 0.296 1175 S C -0.800 173.842 174.600 0.071 0.000 1.118 1175 S CA -0.590 57.677 58.200 0.110 0.000 0.947 1175 S CB 0.859 64.113 63.200 0.090 0.000 1.131 1175 S HN 0.704 nan 8.310 nan 0.000 0.453 1188 Q N 1.715 121.435 119.800 -0.133 0.000 2.337 1188 Q HA 0.409 4.745 4.340 -0.006 0.000 0.270 1188 Q C -0.520 175.421 176.000 -0.098 0.000 1.002 1188 Q CA 0.152 55.874 55.803 -0.135 0.000 0.888 1188 Q CB 1.185 29.782 28.738 -0.235 0.000 1.222 1188 Q HN 0.286 nan 8.270 nan 0.000 0.400 1189 S N 3.050 118.718 115.700 -0.053 0.000 2.632 1189 S HA 0.294 4.761 4.470 -0.006 0.000 0.271 1189 S C -1.616 172.885 174.600 -0.164 0.000 1.260 1189 S CA -1.549 56.604 58.200 -0.079 0.000 1.010 1189 S CB 0.756 63.966 63.200 0.016 0.000 0.965 1189 S HN 0.509 nan 8.310 nan 0.000 0.534 1190 P HA 0.007 nan 4.420 nan 0.000 0.234 1190 P C -0.458 176.430 177.300 -0.686 0.000 1.167 1190 P CA 0.509 63.206 63.100 -0.671 0.000 0.763 1190 P CB -0.100 30.968 31.700 -1.053 0.000 0.835 1191 W N 1.154 122.339 121.300 -0.191 0.000 2.367 1191 W HA 0.385 5.042 4.660 -0.006 0.000 0.329 1191 W C 0.102 176.603 176.519 -0.029 0.000 1.066 1191 W CA -1.199 56.093 57.345 -0.089 0.000 1.435 1191 W CB 0.516 29.959 29.460 -0.030 0.000 1.296 1191 W HN -0.133 nan 8.180 nan 0.000 0.401 1192 L N 6.047 127.436 121.223 0.277 0.000 2.276 1192 L HA 0.459 4.796 4.340 -0.006 0.000 0.286 1192 L C -0.592 176.387 176.870 0.181 0.000 1.061 1192 L CA -0.707 54.241 54.840 0.179 0.000 0.807 1192 L CB 0.403 42.536 42.059 0.124 0.000 1.177 1192 L HN 0.270 nan 8.230 nan 0.000 0.429 1193 L N 6.241 127.535 121.223 0.119 0.000 2.295 1193 L HA 0.550 4.887 4.340 -0.006 0.000 0.285 1193 L C -0.674 176.234 176.870 0.064 0.000 1.035 1193 L CA -0.177 54.717 54.840 0.090 0.000 0.806 1193 L CB 0.929 43.023 42.059 0.057 0.000 1.214 1193 L HN 0.835 nan 8.230 nan 0.000 0.426 1194 R N 6.332 126.863 120.500 0.053 0.000 2.472 1194 R HA 0.482 4.819 4.340 -0.006 0.000 0.294 1194 R C -1.569 174.740 176.300 0.015 0.000 1.243 1194 R CA -0.569 55.534 56.100 0.004 0.000 1.023 1194 R CB 0.597 30.835 30.300 -0.104 0.000 1.157 1194 R HN 0.766 nan 8.270 nan 0.000 0.530 1195 L N 3.043 124.282 121.223 0.027 0.000 2.305 1195 L HA 0.381 4.717 4.340 -0.006 0.000 0.281 1195 L C 0.453 177.333 176.870 0.017 0.000 1.085 1195 L CA -0.193 54.663 54.840 0.027 0.000 0.813 1195 L CB 1.257 43.335 42.059 0.031 0.000 1.157 1195 L HN 0.579 nan 8.230 nan 0.000 0.436 1196 E N 3.242 123.450 120.200 0.013 0.000 2.250 1196 E HA 0.696 5.043 4.350 -0.006 0.000 0.269 1196 E C -1.332 175.269 176.600 0.002 0.000 1.018 1196 E CA -0.646 55.759 56.400 0.008 0.000 0.873 1196 E CB 1.604 31.311 29.700 0.012 0.000 1.134 1196 E HN 0.443 nan 8.360 nan 0.000 0.403 1197 L N 1.875 123.096 121.223 -0.004 0.000 2.393 1197 L HA 0.358 4.694 4.340 -0.006 0.000 0.260 1197 L C -0.728 176.133 176.870 -0.015 0.000 1.002 1197 L CA -1.161 53.670 54.840 -0.015 0.000 0.818 1197 L CB 1.994 44.037 42.059 -0.027 0.000 1.369 1197 L HN 0.536 nan 8.230 nan 0.000 0.412 1198 D N 0.663 121.052 120.400 -0.018 0.000 2.256 1198 D HA 0.175 4.811 4.640 -0.006 0.000 0.250 1198 D C 0.896 177.185 176.300 -0.019 0.000 1.093 1198 D CA -0.195 53.796 54.000 -0.016 0.000 0.882 1198 D CB 1.812 42.602 40.800 -0.015 0.000 1.185 1198 D HN 0.396 nan 8.370 nan 0.000 0.437 1199 R N 3.085 123.576 120.500 -0.015 0.000 2.113 1199 R HA -0.216 4.121 4.340 -0.006 0.000 0.244 1199 R C 1.714 178.003 176.300 -0.019 0.000 1.142 1199 R CA 2.144 58.234 56.100 -0.016 0.000 0.953 1199 R CB -0.407 29.886 30.300 -0.012 0.000 0.860 1199 R HN 0.581 nan 8.270 nan 0.000 0.438 1200 A N 0.277 123.087 122.820 -0.016 0.000 2.546 1200 A HA -0.190 4.126 4.320 -0.006 0.000 0.190 1200 A C 2.229 179.802 177.584 -0.019 0.000 1.102 1200 A CA 2.107 54.135 52.037 -0.016 0.000 0.909 1200 A CB -1.719 17.273 19.000 -0.014 0.000 0.818 1200 A HN 0.534 nan 8.150 nan 0.000 0.557 1201 A N -2.302 120.506 122.820 -0.020 0.000 2.096 1201 A HA -0.311 4.006 4.320 -0.006 0.000 0.225 1201 A C 2.019 179.585 177.584 -0.030 0.000 1.192 1201 A CA 2.818 54.842 52.037 -0.023 0.000 0.679 1201 A CB -0.742 18.240 19.000 -0.030 0.000 0.821 1201 A HN 0.558 nan 8.150 nan 0.000 0.484 1202 M N -0.766 118.814 119.600 -0.033 0.000 2.319 1202 M HA -0.044 4.432 4.480 -0.006 0.000 0.265 1202 M C 1.521 177.799 176.300 -0.037 0.000 1.068 1202 M CA 1.075 56.350 55.300 -0.041 0.000 1.118 1202 M CB -1.475 31.099 32.600 -0.043 0.000 1.395 1202 M HN 0.459 nan 8.290 nan 0.000 0.435 1203 N N 0.557 119.240 118.700 -0.028 0.000 2.178 1203 N HA -0.112 4.625 4.740 -0.006 0.000 0.189 1203 N C 1.386 176.882 175.510 -0.025 0.000 1.048 1203 N CA 1.026 54.060 53.050 -0.027 0.000 0.855 1203 N CB -0.821 37.654 38.487 -0.021 0.000 1.028 1203 N HN 0.274 nan 8.380 nan 0.000 0.441 1204 D N 1.354 121.746 120.400 -0.013 0.000 2.549 1204 D HA -0.209 4.428 4.640 -0.006 0.000 0.199 1204 D C -0.125 176.170 176.300 -0.008 0.000 1.034 1204 D CA 1.461 55.464 54.000 0.004 0.000 0.880 1204 D CB -0.108 40.706 40.800 0.022 0.000 1.044 1204 D HN 0.206 nan 8.370 nan 0.000 0.469 1205 K N 1.252 121.645 120.400 -0.011 0.000 2.270 1205 K HA 0.073 4.389 4.320 -0.006 0.000 0.276 1205 K C -0.232 176.342 176.600 -0.044 0.000 1.023 1205 K CA -0.404 55.869 56.287 -0.024 0.000 0.955 1205 K CB 0.535 33.021 32.500 -0.023 0.000 0.975 1205 K HN 0.221 nan 8.250 nan 0.000 0.471 1206 D N 3.499 123.867 120.400 -0.055 0.000 2.389 1206 D HA -0.009 4.627 4.640 -0.006 0.000 0.278 1206 D C -0.306 175.959 176.300 -0.059 0.000 1.398 1206 D CA 0.825 54.789 54.000 -0.060 0.000 1.090 1206 D CB 0.190 40.950 40.800 -0.067 0.000 1.108 1206 D HN 0.159 nan 8.370 nan 0.000 0.532 1207 L N 1.712 122.899 121.223 -0.059 0.000 2.431 1207 L HA 0.312 4.648 4.340 -0.006 0.000 0.266 1207 L C -0.453 176.370 176.870 -0.078 0.000 0.978 1207 L CA -0.535 54.263 54.840 -0.069 0.000 0.822 1207 L CB 2.533 44.552 42.059 -0.067 0.000 1.310 1207 L HN 0.131 nan 8.230 nan 0.000 0.409 1208 T N 1.118 115.612 114.554 -0.100 0.000 2.847 1208 T HA 0.267 4.613 4.350 -0.006 0.000 0.291 1208 T C 1.214 175.796 174.700 -0.198 0.000 0.998 1208 T CA -0.748 61.279 62.100 -0.122 0.000 0.967 1208 T CB 1.873 70.677 68.868 -0.106 0.000 0.954 1208 T HN 0.386 nan 8.240 nan 0.000 0.441 1209 M N 2.225 121.687 119.600 -0.230 0.000 2.124 1209 M HA -0.164 4.312 4.480 -0.006 0.000 0.253 1209 M C 2.477 178.351 176.300 -0.709 0.000 1.077 1209 M CA 2.449 57.505 55.300 -0.407 0.000 1.085 1209 M CB -1.567 30.803 32.600 -0.383 0.000 1.320 1209 M HN 0.894 nan 8.290 nan 0.000 0.404 1210 G N -1.281 107.151 108.800 -0.614 0.000 2.418 1210 G HA2 -0.260 3.697 3.960 -0.006 0.000 0.217 1210 G HA3 -0.260 3.697 3.960 -0.006 0.000 0.217 1210 G C 1.437 176.088 174.900 -0.416 0.000 1.158 1210 G CA 0.969 45.693 45.100 -0.627 0.000 0.771 1210 G HN 0.542 nan 8.290 nan 0.000 0.545 1211 Q N -0.169 119.471 119.800 -0.265 0.000 2.096 1211 Q HA -0.164 4.173 4.340 -0.006 0.000 0.208 1211 Q C 2.765 178.634 176.000 -0.220 0.000 0.993 1211 Q CA 2.270 57.964 55.803 -0.183 0.000 0.862 1211 Q CB -0.236 28.420 28.738 -0.137 0.000 0.915 1211 Q HN 0.370 nan 8.270 nan 0.000 0.416 1212 V N -0.195 119.550 119.914 -0.282 0.000 2.214 1212 V HA -0.264 3.852 4.120 -0.006 0.000 0.245 1212 V C 2.213 178.128 176.094 -0.299 0.000 1.047 1212 V CA 2.060 64.203 62.300 -0.262 0.000 0.998 1212 V CB -1.681 29.972 31.823 -0.283 0.000 0.633 1212 V HN 0.631 nan 8.190 nan 0.000 0.446 1213 G N 0.108 108.574 108.800 -0.557 0.000 2.514 1213 G HA2 -0.263 3.694 3.960 -0.006 0.000 0.217 1213 G HA3 -0.263 3.694 3.960 -0.006 0.000 0.217 1213 G C 1.385 176.151 174.900 -0.224 0.000 1.198 1213 G CA 1.029 45.783 45.100 -0.576 0.000 0.780 1213 G HN 0.603 nan 8.290 nan 0.000 0.565 1214 E N 0.213 120.282 120.200 -0.217 0.000 2.267 1214 E HA -0.155 4.192 4.350 -0.006 0.000 0.197 1214 E C 2.594 179.164 176.600 -0.050 0.000 0.998 1214 E CA 0.719 57.097 56.400 -0.037 0.000 0.830 1214 E CB -0.094 29.594 29.700 -0.021 0.000 0.751 1214 E HN 0.192 nan 8.360 nan 0.000 0.491 1215 R N 1.222 121.662 120.500 -0.099 0.000 2.062 1215 R HA -0.023 4.314 4.340 -0.006 0.000 0.229 1215 R C 2.282 178.538 176.300 -0.073 0.000 1.128 1215 R CA 0.954 57.002 56.100 -0.086 0.000 0.960 1215 R CB -0.557 29.681 30.300 -0.102 0.000 0.855 1215 R HN 0.180 nan 8.270 nan 0.000 0.432 1216 I N 0.179 120.722 120.570 -0.045 0.000 2.286 1216 I HA -0.265 3.901 4.170 -0.006 0.000 0.248 1216 I C 2.240 178.435 176.117 0.130 0.000 1.115 1216 I CA 1.349 62.673 61.300 0.039 0.000 1.392 1216 I CB -0.326 37.735 38.000 0.101 0.000 1.065 1216 I HN 0.115 nan 8.210 nan 0.000 0.418 1217 K N 1.015 121.483 120.400 0.113 0.000 2.025 1217 K HA -0.166 4.151 4.320 -0.006 0.000 0.207 1217 K C 1.789 178.447 176.600 0.096 0.000 1.049 1217 K CA 1.302 57.677 56.287 0.146 0.000 0.933 1217 K CB -0.057 32.522 32.500 0.132 0.000 0.714 1217 K HN 0.483 nan 8.250 nan 0.000 0.438 1218 Q N -0.321 119.493 119.800 0.022 0.000 2.344 1218 Q HA 0.030 4.367 4.340 -0.006 0.000 0.212 1218 Q C 0.280 176.234 176.000 -0.077 0.000 0.943 1218 Q CA 0.610 56.407 55.803 -0.011 0.000 0.955 1218 Q CB 0.427 29.154 28.738 -0.019 0.000 1.000 1218 Q HN 0.089 nan 8.270 nan 0.000 0.488 1219 T N -1.121 113.335 114.554 -0.164 0.000 2.978 1219 T HA 0.192 4.539 4.350 -0.006 0.000 0.248 1219 T C 0.738 175.201 174.700 -0.394 0.000 1.018 1219 T CA 0.139 61.989 62.100 -0.418 0.000 1.026 1219 T CB 0.094 68.467 68.868 -0.825 0.000 1.032 1219 T HN 0.352 nan 8.240 nan 0.000 0.485 1220 F N 0.511 120.473 119.950 0.021 0.000 2.784 1220 F HA 0.431 4.954 4.527 -0.006 0.000 0.323 1220 F C 1.479 177.297 175.800 0.031 0.000 1.085 1220 F CA -0.679 57.338 58.000 0.027 0.000 1.196 1220 F CB 0.376 39.397 39.000 0.034 0.000 1.053 1220 F HN -0.090 nan 8.300 nan 0.000 0.578 1221 K N 1.341 121.843 120.400 0.170 0.000 6.999 1221 K HA -0.381 3.935 4.320 -0.006 0.000 0.344 1221 K C -0.583 176.095 176.600 0.130 0.000 0.603 1221 K CA 2.501 58.856 56.287 0.113 0.000 1.181 1221 K CB -1.096 31.451 32.500 0.079 0.000 0.790 1221 K HN 0.347 nan 8.250 nan 0.000 0.953 1222 N N 0.828 119.598 118.700 0.117 0.000 2.524 1222 N HA 0.300 5.037 4.740 -0.006 0.000 0.261 1222 N C -1.533 174.036 175.510 0.098 0.000 0.998 1222 N CA 0.275 53.387 53.050 0.104 0.000 0.915 1222 N CB 1.571 40.104 38.487 0.077 0.000 1.187 1222 N HN 0.519 nan 8.380 nan 0.000 0.507 1223 D N 1.790 122.244 120.400 0.091 0.000 4.476 1223 D HA 0.018 4.655 4.640 -0.006 0.000 0.114 1223 D C -1.530 174.751 176.300 -0.031 0.000 0.602 1223 D CA -0.342 53.684 54.000 0.044 0.000 0.653 1223 D CB -0.798 40.034 40.800 0.055 0.000 1.615 1223 D HN 0.296 nan 8.370 nan 0.000 0.382 1224 L N 0.666 121.896 121.223 0.012 0.000 2.830 1224 L HA 0.605 4.942 4.340 -0.006 0.000 0.259 1224 L C -2.254 174.688 176.870 0.119 0.000 0.926 1224 L CA -0.787 54.047 54.840 -0.009 0.000 0.993 1224 L CB 1.409 43.361 42.059 -0.177 0.000 1.589 1224 L HN 0.124 nan 8.230 nan 0.000 0.460 1225 F N 5.750 125.696 119.950 -0.006 0.000 2.422 1225 F HA 0.888 5.412 4.527 -0.006 0.000 0.333 1225 F C -0.979 174.837 175.800 0.027 0.000 1.095 1225 F CA -0.456 57.546 58.000 0.003 0.000 1.038 1225 F CB 1.525 40.516 39.000 -0.015 0.000 1.156 1225 F HN 0.241 nan 8.300 nan 0.000 0.483 1226 V N 6.812 126.246 119.914 -0.801 0.000 2.808 1226 V HA 0.569 4.685 4.120 -0.006 0.000 0.308 1226 V C -0.480 175.272 176.094 -0.570 0.000 1.099 1226 V CA -0.739 61.288 62.300 -0.455 0.000 0.920 1226 V CB 1.622 33.447 31.823 0.004 0.000 1.014 1226 V HN 0.737 nan 8.190 nan 0.000 0.425 1227 I N 2.503 122.879 120.570 -0.323 0.000 3.174 1227 I HA 0.862 5.029 4.170 -0.006 0.000 0.313 1227 I C -0.950 175.151 176.117 -0.026 0.000 1.155 1227 I CA -0.531 60.483 61.300 -0.477 0.000 0.977 1227 I CB 2.388 40.210 38.000 -0.297 0.000 1.248 1227 I HN 0.846 nan 8.210 nan 0.000 0.453 1228 W N -0.134 121.114 121.300 -0.087 0.000 2.923 1228 W HA 0.781 5.437 4.660 -0.006 0.000 0.373 1228 W C -1.530 174.902 176.519 -0.145 0.000 1.205 1228 W CA -0.813 56.473 57.345 -0.098 0.000 1.180 1228 W CB 0.185 29.602 29.460 -0.072 0.000 1.477 1228 W HN 0.294 nan 8.180 nan 0.000 0.581 1229 S N 0.192 116.012 115.700 0.200 0.000 2.687 1229 S HA 0.387 4.854 4.470 -0.006 0.000 0.283 1229 S C -0.558 174.159 174.600 0.196 0.000 1.170 1229 S CA -0.819 57.419 58.200 0.062 0.000 1.008 1229 S CB 1.637 64.864 63.200 0.046 0.000 1.026 1229 S HN 0.468 nan 8.310 nan 0.000 0.541 1230 E N -0.089 120.173 120.200 0.104 0.000 2.345 1230 E HA 0.107 4.453 4.350 -0.006 0.000 0.259 1230 E C -0.210 176.438 176.600 0.080 0.000 1.117 1230 E CA -0.351 56.139 56.400 0.149 0.000 0.913 1230 E CB 0.445 30.185 29.700 0.067 0.000 1.057 1230 E HN 0.527 nan 8.360 nan 0.000 0.432 1231 D N 0.583 121.011 120.400 0.048 0.000 2.421 1231 D HA -0.148 4.488 4.640 -0.006 0.000 0.223 1231 D C 0.451 176.750 176.300 -0.001 0.000 0.979 1231 D CA 0.934 54.934 54.000 0.000 0.000 0.959 1231 D CB 0.083 40.870 40.800 -0.022 0.000 0.874 1231 D HN 0.295 nan 8.370 nan 0.000 0.513 1232 N N -0.195 118.509 118.700 0.007 0.000 2.397 1232 N HA -0.014 4.722 4.740 -0.006 0.000 0.190 1232 N C -0.075 175.435 175.510 -0.000 0.000 1.099 1232 N CA -0.082 52.968 53.050 0.000 0.000 0.876 1232 N CB 0.511 38.998 38.487 -0.000 0.000 1.143 1232 N HN 0.121 nan 8.380 nan 0.000 0.468 1233 D N 1.912 122.313 120.400 0.003 0.000 2.383 1233 D HA -0.118 4.519 4.640 -0.006 0.000 0.233 1233 D C 1.443 177.743 176.300 -0.002 0.000 1.233 1233 D CA 0.442 54.441 54.000 -0.001 0.000 0.881 1233 D CB 1.053 41.853 40.800 0.000 0.000 1.212 1233 D HN 0.373 nan 8.370 nan 0.000 0.467 1234 E N 0.742 120.940 120.200 -0.003 0.000 2.028 1234 E HA -0.129 4.218 4.350 -0.006 0.000 0.190 1234 E C 0.152 176.751 176.600 -0.001 0.000 0.984 1234 E CA 0.763 57.162 56.400 -0.002 0.000 0.800 1234 E CB 0.213 29.912 29.700 -0.002 0.000 0.758 1234 E HN 0.194 nan 8.360 nan 0.000 0.448 1235 K N 1.204 121.603 120.400 -0.001 0.000 2.234 1235 K HA 0.275 4.592 4.320 -0.006 0.000 0.277 1235 K C -0.822 175.780 176.600 0.004 0.000 1.038 1235 K CA -0.412 55.875 56.287 0.000 0.000 0.888 1235 K CB 1.037 33.537 32.500 -0.000 0.000 1.091 1235 K HN 0.190 nan 8.250 nan 0.000 0.467 1236 L N 6.621 127.847 121.223 0.005 0.000 2.315 1236 L HA 0.348 4.684 4.340 -0.006 0.000 0.283 1236 L C -0.339 176.543 176.870 0.020 0.000 1.089 1236 L CA 0.040 54.887 54.840 0.012 0.000 0.833 1236 L CB 0.261 42.319 42.059 -0.002 0.000 1.170 1236 L HN 0.590 nan 8.230 nan 0.000 0.442 1237 I N 4.125 124.723 120.570 0.048 0.000 3.006 1237 I HA 0.418 4.585 4.170 -0.006 0.000 0.306 1237 I C -1.044 175.149 176.117 0.128 0.000 1.250 1237 I CA -0.705 60.628 61.300 0.056 0.000 0.996 1237 I CB 3.074 41.084 38.000 0.018 0.000 1.261 1237 I HN 0.257 nan 8.210 nan 0.000 0.442 1238 I N 3.580 124.214 120.570 0.107 0.000 2.447 1238 I HA 0.454 4.620 4.170 -0.006 0.000 0.287 1238 I C -0.436 175.739 176.117 0.095 0.000 1.023 1238 I CA -0.538 60.862 61.300 0.168 0.000 1.083 1238 I CB 1.736 39.817 38.000 0.136 0.000 1.245 1238 I HN 0.508 nan 8.210 nan 0.000 0.434 1239 R N 4.811 125.360 120.500 0.082 0.000 2.445 1239 R HA 0.754 5.090 4.340 -0.006 0.000 0.308 1239 R C -1.295 175.032 176.300 0.045 0.000 0.961 1239 R CA -0.403 55.720 56.100 0.038 0.000 0.862 1239 R CB 1.868 32.174 30.300 0.010 0.000 1.144 1239 R HN 0.616 nan 8.270 nan 0.000 0.447 1240 C N 2.330 121.667 119.300 0.061 0.000 2.608 1240 C HA 0.565 5.022 4.460 -0.006 0.000 0.325 1240 C C -0.383 174.662 174.990 0.092 0.000 1.147 1240 C CA -1.245 57.812 59.018 0.065 0.000 1.359 1240 C CB 1.538 29.306 27.740 0.047 0.000 1.912 1240 C HN 0.832 nan 8.230 nan 0.000 0.466 1241 R N 1.695 122.277 120.500 0.137 0.000 2.740 1241 R HA 0.785 5.122 4.340 -0.006 0.000 0.282 1241 R C -0.265 176.092 176.300 0.095 0.000 0.969 1241 R CA -0.595 55.582 56.100 0.128 0.000 0.918 1241 R CB 1.610 31.995 30.300 0.141 0.000 1.175 1241 R HN 0.538 nan 8.270 nan 0.000 0.464 1242 V N 1.008 120.959 119.914 0.062 0.000 3.851 1242 V HA 0.323 4.440 4.120 -0.006 0.000 0.268 1242 V C 0.549 176.665 176.094 0.038 0.000 0.933 1242 V CA -0.271 62.042 62.300 0.022 0.000 0.934 1242 V CB 0.582 32.415 31.823 0.018 0.000 1.231 1242 V HN 0.515 nan 8.190 nan 0.000 0.412 1255 E N -0.638 119.602 120.200 0.067 0.000 2.588 1255 E HA -0.098 4.249 4.350 -0.006 0.000 0.351 1255 E C 0.250 176.891 176.600 0.070 0.000 0.944 1255 E CA 0.743 57.173 56.400 0.049 0.000 1.086 1255 E CB -1.284 28.433 29.700 0.029 0.000 1.373 1255 E HN 0.595 nan 8.360 nan 0.000 0.406 1256 E N 0.996 121.260 120.200 0.107 0.000 2.004 1256 E HA -0.180 4.167 4.350 -0.006 0.000 0.192 1256 E C 1.136 177.684 176.600 -0.086 0.000 0.987 1256 E CA 1.139 57.594 56.400 0.092 0.000 0.822 1256 E CB 0.110 29.971 29.700 0.269 0.000 0.779 1256 E HN 0.307 nan 8.360 nan 0.000 0.458 1257 D N -0.480 119.679 120.400 -0.402 0.000 2.680 1257 D HA -0.270 4.367 4.640 -0.006 0.000 0.198 1257 D C 1.690 177.852 176.300 -0.230 0.000 1.059 1257 D CA 1.518 55.116 54.000 -0.669 0.000 0.948 1257 D CB -0.233 40.170 40.800 -0.661 0.000 0.871 1257 D HN 0.297 nan 8.370 nan 0.000 0.466 1258 H N -0.312 118.635 119.070 -0.206 0.000 2.329 1258 H HA 0.130 4.682 4.556 -0.006 0.000 0.306 1258 H C 2.124 177.399 175.328 -0.089 0.000 1.062 1258 H CA 0.931 56.907 56.048 -0.119 0.000 1.364 1258 H CB -0.258 29.460 29.762 -0.073 0.000 1.409 1258 H HN 0.020 nan 8.280 nan 0.000 0.519 1259 M N -0.226 119.391 119.600 0.028 0.000 2.082 1259 M HA -0.176 4.300 4.480 -0.006 0.000 0.258 1259 M C 0.762 177.030 176.300 -0.054 0.000 1.071 1259 M CA 1.281 56.571 55.300 -0.017 0.000 1.103 1259 M CB -0.115 32.493 32.600 0.014 0.000 1.307 1259 M HN 0.220 nan 8.290 nan 0.000 0.409 1260 L N 1.364 122.551 121.223 -0.061 0.000 2.679 1260 L HA -0.049 4.287 4.340 -0.006 0.000 0.241 1260 L C 0.683 177.511 176.870 -0.070 0.000 1.441 1260 L CA 0.881 55.685 54.840 -0.061 0.000 1.181 1260 L CB -0.620 41.417 42.059 -0.037 0.000 1.451 1260 L HN 0.269 nan 8.230 nan 0.000 0.446 1261 K N -0.455 119.902 120.400 -0.072 0.000 3.035 1261 K HA 0.044 4.360 4.320 -0.006 0.000 0.186 1261 K C 1.463 178.024 176.600 -0.066 0.000 1.903 1261 K CA -0.112 56.131 56.287 -0.074 0.000 1.445 1261 K CB 0.156 32.586 32.500 -0.118 0.000 2.187 1261 K HN 0.066 nan 8.250 nan 0.000 0.619 1262 K N 1.451 121.799 120.400 -0.087 0.000 2.442 1262 K HA 0.084 4.401 4.320 -0.006 0.000 0.198 1262 K C 1.640 178.240 176.600 -0.001 0.000 1.044 1262 K CA 0.833 57.086 56.287 -0.057 0.000 0.948 1262 K CB 0.101 32.563 32.500 -0.063 0.000 0.762 1262 K HN 0.175 nan 8.250 nan 0.000 0.472 1263 I N -0.355 120.209 120.570 -0.009 0.000 2.685 1263 I HA -0.148 4.019 4.170 -0.006 0.000 0.251 1263 I C 1.934 178.091 176.117 0.067 0.000 1.102 1263 I CA 0.441 61.756 61.300 0.025 0.000 1.442 1263 I CB 0.066 38.008 38.000 -0.097 0.000 1.194 1263 I HN 0.136 nan 8.210 nan 0.000 0.448 1264 E N 0.931 121.146 120.200 0.025 0.000 2.455 1264 E HA -0.239 4.108 4.350 -0.006 0.000 0.202 1264 E C 1.421 178.045 176.600 0.039 0.000 1.045 1264 E CA 1.297 57.719 56.400 0.037 0.000 0.872 1264 E CB -0.096 29.614 29.700 0.016 0.000 0.792 1264 E HN 0.378 nan 8.360 nan 0.000 0.542 1265 N N -0.318 118.405 118.700 0.039 0.000 2.349 1265 N HA 0.010 4.747 4.740 -0.006 0.000 0.202 1265 N C 1.310 176.850 175.510 0.051 0.000 1.041 1265 N CA 1.944 55.011 53.050 0.030 0.000 0.970 1265 N CB -0.687 37.808 38.487 0.013 0.000 1.173 1265 N HN 0.100 nan 8.380 nan 0.000 0.493 1266 T N 2.084 116.681 114.554 0.072 0.000 2.653 1266 T HA -0.265 4.082 4.350 -0.006 0.000 0.267 1266 T C 1.942 176.698 174.700 0.093 0.000 1.037 1266 T CA 1.497 63.650 62.100 0.088 0.000 1.159 1266 T CB -0.297 68.667 68.868 0.161 0.000 0.859 1266 T HN 0.190 nan 8.240 nan 0.000 0.449 1267 M N 0.196 119.895 119.600 0.166 0.000 2.163 1267 M HA -0.121 4.355 4.480 -0.006 0.000 0.258 1267 M C 2.404 178.740 176.300 0.060 0.000 1.071 1267 M CA 1.918 57.312 55.300 0.156 0.000 1.093 1267 M CB -0.846 31.855 32.600 0.170 0.000 1.285 1267 M HN 0.290 nan 8.290 nan 0.000 0.420 1268 L N -1.195 120.054 121.223 0.043 0.000 2.093 1268 L HA -0.152 4.185 4.340 -0.006 0.000 0.208 1268 L C 0.616 177.485 176.870 -0.001 0.000 1.085 1268 L CA 1.100 55.948 54.840 0.013 0.000 0.755 1268 L CB -0.334 41.731 42.059 0.009 0.000 0.904 1268 L HN 0.323 nan 8.230 nan 0.000 0.435 1269 E N -0.324 119.880 120.200 0.008 0.000 3.388 1269 E HA 0.164 4.511 4.350 -0.006 0.000 0.214 1269 E C -0.110 176.494 176.600 0.007 0.000 1.040 1269 E CA -0.092 56.310 56.400 0.003 0.000 1.327 1269 E CB 0.420 30.124 29.700 0.006 0.000 1.243 1269 E HN 0.191 nan 8.360 nan 0.000 0.444 1270 N N -0.055 118.643 118.700 -0.004 0.000 1.839 1270 N HA 0.047 4.784 4.740 -0.006 0.000 0.232 1270 N C -0.636 174.856 175.510 -0.030 0.000 1.425 1270 N CA -0.034 53.010 53.050 -0.010 0.000 0.743 1270 N CB 1.010 39.482 38.487 -0.025 0.000 1.044 1270 N HN 0.133 nan 8.380 nan 0.000 0.519 1271 I N 2.885 123.432 120.570 -0.038 0.000 2.322 1271 I HA 0.184 4.350 4.170 -0.006 0.000 0.292 1271 I C 0.177 176.270 176.117 -0.040 0.000 1.060 1271 I CA 0.323 61.587 61.300 -0.060 0.000 1.309 1271 I CB 0.261 38.218 38.000 -0.073 0.000 1.415 1271 I HN -0.143 nan 8.210 nan 0.000 0.492 1272 T N 7.476 122.015 114.554 -0.025 0.000 2.806 1272 T HA 0.316 4.663 4.350 -0.006 0.000 0.290 1272 T C 0.988 175.669 174.700 -0.031 0.000 0.966 1272 T CA -0.403 61.700 62.100 0.005 0.000 1.060 1272 T CB 2.102 71.002 68.868 0.052 0.000 0.927 1272 T HN 0.312 nan 8.240 nan 0.000 0.485 1273 L N 2.143 123.343 121.223 -0.038 0.000 2.664 1273 L HA 0.382 4.719 4.340 -0.006 0.000 0.233 1273 L C 0.710 177.555 176.870 -0.040 0.000 1.113 1273 L CA 0.340 55.147 54.840 -0.054 0.000 0.896 1273 L CB -0.155 41.861 42.059 -0.072 0.000 1.163 1273 L HN 0.850 nan 8.230 nan 0.000 0.497 1274 R N -2.848 117.646 120.500 -0.010 0.000 6.750 1274 R HA 0.448 4.784 4.340 -0.006 0.000 0.242 1274 R C -0.422 175.897 176.300 0.031 0.000 0.885 1274 R CA -0.285 55.812 56.100 -0.006 0.000 1.656 1274 R CB -0.964 29.321 30.300 -0.026 0.000 1.184 1274 R HN 0.164 nan 8.270 nan 0.000 0.835 1275 G N 0.393 109.214 108.800 0.034 0.000 2.434 1275 G HA2 0.232 4.189 3.960 -0.006 0.000 0.671 1275 G HA3 0.232 4.189 3.960 -0.006 0.000 0.671 1275 G C -1.312 173.620 174.900 0.054 0.000 1.280 1275 G CA -0.571 44.566 45.100 0.060 0.000 0.975 1275 G HN 1.113 nan 8.290 nan 0.000 0.510 1276 V N 0.231 120.158 119.914 0.021 0.000 2.581 1276 V HA 0.648 4.764 4.120 -0.006 0.000 0.303 1276 V C 0.795 176.676 176.094 -0.355 0.000 1.041 1276 V CA -0.086 62.156 62.300 -0.097 0.000 0.907 1276 V CB 1.499 33.280 31.823 -0.069 0.000 0.994 1276 V HN 1.251 nan 8.190 nan 0.000 0.442 1277 E N 3.848 123.804 120.200 -0.406 0.000 2.459 1277 E HA -0.025 4.322 4.350 -0.006 0.000 0.264 1277 E C 0.573 176.951 176.600 -0.370 0.000 1.055 1277 E CA 0.471 56.535 56.400 -0.560 0.000 0.957 1277 E CB 0.064 29.600 29.700 -0.273 0.000 0.952 1277 E HN 0.704 nan 8.360 nan 0.000 0.448 1278 N N 0.482 119.008 118.700 -0.291 0.000 2.946 1278 N HA -0.230 4.507 4.740 -0.006 0.000 0.223 1278 N C -0.387 175.090 175.510 -0.054 0.000 0.850 1278 N CA 1.557 54.537 53.050 -0.117 0.000 1.057 1278 N CB -1.089 37.343 38.487 -0.093 0.000 1.020 1278 N HN 0.493 nan 8.380 nan 0.000 0.616 1279 I N 2.755 123.296 120.570 -0.048 0.000 2.206 1279 I HA 0.121 4.288 4.170 -0.006 0.000 0.292 1279 I C 1.255 177.416 176.117 0.073 0.000 1.156 1279 I CA 0.114 61.421 61.300 0.012 0.000 1.356 1279 I CB 0.216 38.219 38.000 0.006 0.000 1.494 1279 I HN 0.054 nan 8.210 nan 0.000 0.601 1280 E N 3.575 123.813 120.200 0.064 0.000 4.211 1280 E HA 0.081 4.428 4.350 -0.006 0.000 0.578 1280 E C 0.771 177.382 176.600 0.018 0.000 0.293 1280 E CA -0.020 56.413 56.400 0.056 0.000 3.768 1280 E CB 0.095 29.821 29.700 0.042 0.000 2.346 1280 E HN 0.545 nan 8.360 nan 0.000 0.307 1281 R N -0.187 120.300 120.500 -0.023 0.000 2.924 1281 R HA 0.201 4.538 4.340 -0.006 0.000 0.272 1281 R C -0.797 175.503 176.300 -0.001 0.000 1.012 1281 R CA -0.072 55.992 56.100 -0.060 0.000 1.171 1281 R CB 0.168 30.387 30.300 -0.135 0.000 1.086 1281 R HN 0.155 nan 8.270 nan 0.000 0.489 1282 V N 0.817 120.762 119.914 0.051 0.000 3.048 1282 V HA 0.525 4.642 4.120 -0.006 0.000 0.303 1282 V C -1.300 174.905 176.094 0.185 0.000 1.214 1282 V CA -0.729 61.634 62.300 0.106 0.000 0.984 1282 V CB 2.712 34.591 31.823 0.094 0.000 1.054 1282 V HN 0.678 nan 8.190 nan 0.000 0.430 1283 V N 3.888 123.857 119.914 0.091 0.000 2.971 1283 V HA 0.517 4.633 4.120 -0.006 0.000 0.309 1283 V C -0.387 175.719 176.094 0.020 0.000 1.130 1283 V CA -0.686 61.668 62.300 0.090 0.000 0.964 1283 V CB 2.228 34.113 31.823 0.103 0.000 1.029 1283 V HN 0.831 nan 8.190 nan 0.000 0.427 1284 M N 4.066 123.668 119.600 0.003 0.000 2.108 1284 M HA 0.468 4.944 4.480 -0.006 0.000 0.347 1284 M C -0.749 175.662 176.300 0.186 0.000 1.326 1284 M CA -0.059 55.246 55.300 0.008 0.000 1.126 1284 M CB 0.881 33.362 32.600 -0.197 0.000 1.606 1284 M HN 0.583 nan 8.290 nan 0.000 0.462 1285 M N 3.763 123.497 119.600 0.223 0.000 2.321 1285 M HA 0.271 4.747 4.480 -0.006 0.000 0.315 1285 M C -0.343 176.085 176.300 0.213 0.000 1.052 1285 M CA -0.470 54.947 55.300 0.195 0.000 0.936 1285 M CB 1.566 34.152 32.600 -0.023 0.000 1.639 1285 M HN 0.395 nan 8.290 nan 0.000 0.433 1286 K N 4.605 125.031 120.400 0.043 0.000 2.518 1286 K HA 0.203 4.520 4.320 -0.006 0.000 0.244 1286 K C -0.882 175.657 176.600 -0.103 0.000 1.232 1286 K CA -0.115 55.861 56.287 -0.519 0.000 1.189 1286 K CB -0.194 31.763 32.500 -0.906 0.000 1.737 1286 K HN 0.700 nan 8.250 nan 0.000 0.333 1287 Y N 0.794 121.047 120.300 -0.078 0.000 2.648 1287 Y HA -0.165 4.382 4.550 -0.006 0.000 0.353 1287 Y C 0.708 176.567 175.900 -0.068 0.000 1.271 1287 Y CA -0.278 57.815 58.100 -0.012 0.000 1.483 1287 Y CB 0.500 39.017 38.460 0.096 0.000 1.359 1287 Y HN 0.428 nan 8.280 nan 0.000 0.669 1288 D N 1.992 122.450 120.400 0.096 0.000 2.303 1288 D HA 0.204 4.840 4.640 -0.006 0.000 0.236 1288 D C -0.606 175.709 176.300 0.024 0.000 1.068 1288 D CA -0.328 53.684 54.000 0.019 0.000 0.830 1288 D CB 1.305 42.102 40.800 -0.004 0.000 1.109 1288 D HN 0.349 nan 8.370 nan 0.000 0.496 1289 R N 3.017 123.527 120.500 0.016 0.000 2.483 1289 R HA 0.170 4.507 4.340 -0.006 0.000 0.303 1289 R C -0.520 175.798 176.300 0.030 0.000 0.987 1289 R CA -0.690 55.422 56.100 0.020 0.000 0.881 1289 R CB 1.202 31.512 30.300 0.017 0.000 1.177 1289 R HN 0.204 nan 8.270 nan 0.000 0.451 1290 K N 3.702 124.132 120.400 0.050 0.000 2.402 1290 K HA 0.181 4.498 4.320 -0.006 0.000 0.285 1290 K C -1.029 175.679 176.600 0.181 0.000 1.054 1290 K CA 0.208 56.559 56.287 0.107 0.000 1.001 1290 K CB 0.607 33.158 32.500 0.086 0.000 0.946 1290 K HN 0.324 nan 8.250 nan 0.000 0.473 1291 V N 5.719 125.733 119.914 0.168 0.000 3.048 1291 V HA 0.199 4.316 4.120 -0.006 0.000 0.303 1291 V C -2.483 173.544 176.094 -0.111 0.000 1.214 1291 V CA -2.057 60.295 62.300 0.088 0.000 0.984 1291 V CB 1.903 33.731 31.823 0.008 0.000 1.054 1291 V HN 0.703 nan 8.190 nan 0.000 0.430 1292 P HA -0.031 nan 4.420 nan 0.000 0.257 1292 P C -0.120 177.029 177.300 -0.251 0.000 1.153 1292 P CA 0.944 63.745 63.100 -0.499 0.000 0.762 1292 P CB 0.312 31.744 31.700 -0.447 0.000 0.743 1293 S N 5.528 121.100 115.700 -0.213 0.000 2.645 1293 S HA 0.302 4.769 4.470 -0.006 0.000 0.266 1293 S C -1.126 173.397 174.600 -0.128 0.000 1.258 1293 S CA -1.571 56.556 58.200 -0.123 0.000 0.990 1293 S CB -0.088 63.063 63.200 -0.082 0.000 0.967 1293 S HN 0.241 nan 8.310 nan 0.000 0.556 1294 P HA -0.120 nan 4.420 nan 0.000 0.211 1294 P C 1.672 178.922 177.300 -0.083 0.000 1.179 1294 P CA 2.113 65.165 63.100 -0.080 0.000 0.910 1294 P CB -0.927 30.739 31.700 -0.057 0.000 0.785 1295 T N -2.984 111.531 114.554 -0.066 0.000 2.918 1295 T HA -0.014 4.333 4.350 -0.006 0.000 0.271 1295 T C 1.439 176.099 174.700 -0.067 0.000 1.104 1295 T CA 2.338 64.404 62.100 -0.056 0.000 1.114 1295 T CB -0.758 68.088 68.868 -0.036 0.000 0.855 1295 T HN 0.374 nan 8.240 nan 0.000 0.518 1296 G N 0.201 108.943 108.800 -0.097 0.000 3.330 1296 G HA2 -0.130 3.827 3.960 -0.006 0.000 0.197 1296 G HA3 -0.130 3.827 3.960 -0.006 0.000 0.197 1296 G C -0.309 174.529 174.900 -0.104 0.000 1.284 1296 G CA -0.162 44.875 45.100 -0.105 0.000 0.921 1296 G HN 0.616 nan 8.290 nan 0.000 0.466 1297 E N 0.799 120.969 120.200 -0.049 0.000 2.502 1297 E HA 0.405 4.751 4.350 -0.006 0.000 0.261 1297 E C -0.445 176.134 176.600 -0.036 0.000 0.974 1297 E CA 0.066 56.468 56.400 0.003 0.000 0.936 1297 E CB 0.358 30.067 29.700 0.016 0.000 0.926 1297 E HN 0.440 nan 8.360 nan 0.000 0.459 1298 Y N 1.463 121.761 120.300 -0.004 0.000 2.309 1298 Y HA 0.337 4.884 4.550 -0.005 0.000 0.327 1298 Y C 0.406 176.303 175.900 -0.005 0.000 1.172 1298 Y CA -0.118 57.980 58.100 -0.003 0.000 1.280 1298 Y CB 0.673 39.137 38.460 0.006 0.000 1.234 1298 Y HN 0.212 nan 8.280 nan 0.000 0.512 1299 V N 1.111 121.099 119.914 0.124 0.000 3.130 1299 V HA 0.314 4.431 4.120 -0.006 0.000 0.308 1299 V C -0.972 175.155 176.094 0.056 0.000 1.413 1299 V CA -1.820 60.525 62.300 0.076 0.000 1.053 1299 V CB 1.920 33.761 31.823 0.029 0.000 1.075 1299 V HN 0.413 nan 8.190 nan 0.000 0.465 1300 K N 2.479 122.897 120.400 0.030 0.000 2.187 1300 K HA 0.221 4.538 4.320 -0.006 0.000 0.242 1300 K C -0.134 176.464 176.600 -0.003 0.000 1.179 1300 K CA 0.120 56.415 56.287 0.013 0.000 1.097 1300 K CB 0.353 32.856 32.500 0.005 0.000 1.634 1300 K HN 0.762 nan 8.250 nan 0.000 0.335 1301 E N 4.153 124.351 120.200 -0.005 0.000 2.001 1301 E HA 0.167 4.514 4.350 -0.006 0.000 0.279 1301 E C -2.319 174.264 176.600 -0.029 0.000 1.045 1301 E CA -2.060 54.330 56.400 -0.017 0.000 0.833 1301 E CB 0.724 30.414 29.700 -0.016 0.000 1.077 1301 E HN 0.099 nan 8.360 nan 0.000 0.397 1302 P HA 0.095 nan 4.420 nan 0.000 0.279 1302 P C -0.979 176.237 177.300 -0.140 0.000 1.239 1302 P CA -0.033 63.005 63.100 -0.104 0.000 0.789 1302 P CB 0.961 32.571 31.700 -0.151 0.000 0.933 1303 E N 1.206 121.321 120.200 -0.141 0.000 2.393 1303 E HA 0.527 4.874 4.350 -0.006 0.000 0.265 1303 E C -1.434 175.031 176.600 -0.225 0.000 0.941 1303 E CA -1.040 55.290 56.400 -0.116 0.000 0.801 1303 E CB 1.096 30.820 29.700 0.041 0.000 1.313 1303 E HN 0.297 nan 8.360 nan 0.000 0.435 1304 W N 0.919 122.267 121.300 0.081 0.000 2.429 1304 W HA 0.551 5.208 4.660 -0.006 0.000 0.314 1304 W C -1.110 175.415 176.519 0.009 0.000 1.062 1304 W CA -0.597 56.767 57.345 0.032 0.000 1.211 1304 W CB 1.996 31.467 29.460 0.019 0.000 1.305 1304 W HN 0.244 nan 8.180 nan 0.000 0.476 1305 V N 4.838 124.876 119.914 0.206 0.000 2.876 1305 V HA 0.473 4.590 4.120 -0.006 0.000 0.312 1305 V C -0.368 175.653 176.094 -0.122 0.000 1.085 1305 V CA -1.187 61.067 62.300 -0.078 0.000 0.945 1305 V CB 1.997 33.514 31.823 -0.511 0.000 1.017 1305 V HN 0.314 nan 8.190 nan 0.000 0.428 1306 L N 2.845 123.978 121.223 -0.149 0.000 2.307 1306 L HA 0.619 4.955 4.340 -0.006 0.000 0.284 1306 L C -0.171 176.611 176.870 -0.147 0.000 1.023 1306 L CA -0.412 54.363 54.840 -0.108 0.000 0.810 1306 L CB 1.705 43.723 42.059 -0.068 0.000 1.231 1306 L HN 0.631 nan 8.230 nan 0.000 0.423 1307 E N 1.993 122.138 120.200 -0.092 0.000 2.158 1307 E HA 0.358 4.704 4.350 -0.006 0.000 0.271 1307 E C -0.848 175.743 176.600 -0.015 0.000 0.911 1307 E CA -0.498 55.869 56.400 -0.055 0.000 0.767 1307 E CB 2.322 32.014 29.700 -0.014 0.000 1.120 1307 E HN 0.493 nan 8.360 nan 0.000 0.405 1308 T N 1.490 116.033 114.554 -0.019 0.000 2.847 1308 T HA 0.199 4.545 4.350 -0.006 0.000 0.279 1308 T C -0.189 174.509 174.700 -0.004 0.000 0.984 1308 T CA -0.395 61.699 62.100 -0.009 0.000 0.988 1308 T CB 0.480 69.335 68.868 -0.021 0.000 1.040 1308 T HN 0.350 nan 8.240 nan 0.000 0.528 1309 D N 0.078 120.476 120.400 -0.003 0.000 2.938 1309 D HA 0.520 5.156 4.640 -0.006 0.000 0.369 1309 D C -0.008 176.288 176.300 -0.006 0.000 1.301 1309 D CA 0.109 54.107 54.000 -0.004 0.000 0.805 1309 D CB 0.313 41.110 40.800 -0.004 0.000 1.161 1309 D HN 0.826 nan 8.370 nan 0.000 0.474 1310 G N -1.051 107.740 108.800 -0.015 0.000 2.340 1310 G HA2 0.366 4.323 3.960 -0.006 0.000 0.300 1310 G HA3 0.366 4.323 3.960 -0.006 0.000 0.300 1310 G C -1.891 172.990 174.900 -0.032 0.000 1.488 1310 G CA -0.613 44.475 45.100 -0.020 0.000 0.878 1310 G HN 0.031 nan 8.290 nan 0.000 0.618 1311 V N 1.642 121.532 119.914 -0.040 0.000 2.569 1311 V HA 0.691 4.808 4.120 -0.006 0.000 0.301 1311 V C -0.484 175.580 176.094 -0.050 0.000 1.044 1311 V CA -0.848 61.424 62.300 -0.047 0.000 0.874 1311 V CB 1.845 33.635 31.823 -0.055 0.000 1.002 1311 V HN 0.769 nan 8.190 nan 0.000 0.424 1312 N N 3.780 122.452 118.700 -0.046 0.000 2.747 1312 N HA 0.203 4.940 4.740 -0.006 0.000 0.262 1312 N C 0.035 175.526 175.510 -0.031 0.000 1.261 1312 N CA -0.348 52.676 53.050 -0.044 0.000 0.809 1312 N CB 2.116 40.568 38.487 -0.058 0.000 1.450 1312 N HN 0.578 nan 8.380 nan 0.000 0.560 1313 L N 2.933 124.142 121.223 -0.022 0.000 2.013 1313 L HA 0.094 4.431 4.340 -0.006 0.000 0.204 1313 L C 1.965 178.832 176.870 -0.005 0.000 1.081 1313 L CA 1.839 56.676 54.840 -0.006 0.000 0.751 1313 L CB -0.799 41.260 42.059 0.001 0.000 0.901 1313 L HN 0.524 nan 8.230 nan 0.000 0.440 1314 S N -0.365 115.330 115.700 -0.009 0.000 2.574 1314 S HA -0.358 4.109 4.470 -0.006 0.000 0.307 1314 S C 1.656 176.249 174.600 -0.011 0.000 1.244 1314 S CA 2.296 60.490 58.200 -0.010 0.000 1.144 1314 S CB -0.622 62.566 63.200 -0.020 0.000 1.130 1314 S HN 0.632 nan 8.310 nan 0.000 0.444 1315 E N -0.490 119.699 120.200 -0.019 0.000 2.624 1315 E HA 0.249 4.596 4.350 -0.006 0.000 0.210 1315 E C 0.554 177.145 176.600 -0.016 0.000 0.997 1315 E CA 0.026 56.415 56.400 -0.019 0.000 0.999 1315 E CB 0.731 30.414 29.700 -0.030 0.000 1.040 1315 E HN 0.376 nan 8.360 nan 0.000 0.469 1316 V N 0.630 120.538 119.914 -0.010 0.000 3.379 1316 V HA -0.091 4.026 4.120 -0.006 0.000 0.249 1316 V C 2.260 178.359 176.094 0.007 0.000 1.184 1316 V CA 0.606 62.902 62.300 -0.006 0.000 1.106 1316 V CB -0.160 31.658 31.823 -0.009 0.000 0.826 1316 V HN 0.309 nan 8.190 nan 0.000 0.465 1317 M N 1.007 120.616 119.600 0.015 0.000 2.175 1317 M HA -0.098 4.378 4.480 -0.006 0.000 0.264 1317 M C 2.106 178.420 176.300 0.023 0.000 1.063 1317 M CA 2.351 57.668 55.300 0.029 0.000 1.119 1317 M CB -1.374 31.248 32.600 0.037 0.000 1.377 1317 M HN 0.317 nan 8.290 nan 0.000 0.415 1318 T N 0.019 114.581 114.554 0.013 0.000 3.155 1318 T HA 0.116 4.463 4.350 -0.006 0.000 0.264 1318 T C 0.617 175.320 174.700 0.005 0.000 1.160 1318 T CA 0.072 62.177 62.100 0.008 0.000 1.075 1318 T CB -0.831 68.039 68.868 0.002 0.000 0.921 1318 T HN 0.247 nan 8.240 nan 0.000 0.533 1319 V N 3.172 123.089 119.914 0.005 0.000 3.385 1319 V HA 0.374 4.491 4.120 -0.006 0.000 0.301 1319 V C -1.763 174.334 176.094 0.005 0.000 1.082 1319 V CA -1.690 60.610 62.300 0.000 0.000 1.085 1319 V CB 0.918 32.739 31.823 -0.002 0.000 1.152 1319 V HN 0.408 nan 8.190 nan 0.000 0.465 1320 P HA 0.407 nan 4.420 nan 0.000 0.290 1320 P C 0.453 177.752 177.300 -0.002 0.000 1.283 1320 P CA 0.478 63.578 63.100 -0.000 0.000 0.869 1320 P CB 1.810 33.503 31.700 -0.011 0.000 1.100 1321 G N 2.028 110.834 108.800 0.011 0.000 2.396 1321 G HA2 -0.237 3.720 3.960 -0.006 0.000 0.242 1321 G HA3 -0.237 3.720 3.960 -0.006 0.000 0.242 1321 G C 0.414 175.343 174.900 0.050 0.000 1.069 1321 G CA 0.346 45.455 45.100 0.015 0.000 0.633 1321 G HN 0.751 nan 8.290 nan 0.000 0.517 1322 I N 0.835 121.432 120.570 0.045 0.000 2.529 1322 I HA 0.595 4.762 4.170 -0.006 0.000 0.284 1322 I C -0.489 175.679 176.117 0.084 0.000 1.082 1322 I CA -0.706 60.636 61.300 0.070 0.000 1.406 1322 I CB 1.176 39.208 38.000 0.054 0.000 1.405 1322 I HN 0.116 nan 8.210 nan 0.000 0.548 1323 D N 8.229 128.699 120.400 0.117 0.000 2.365 1323 D HA 0.328 4.965 4.640 -0.006 0.000 0.237 1323 D C -2.055 174.313 176.300 0.115 0.000 1.190 1323 D CA -2.379 51.683 54.000 0.104 0.000 0.867 1323 D CB 1.476 42.339 40.800 0.105 0.000 1.050 1323 D HN 0.336 nan 8.370 nan 0.000 0.491 1324 P HA -0.015 nan 4.420 nan 0.000 0.239 1324 P C 0.951 178.295 177.300 0.074 0.000 1.184 1324 P CA 0.568 63.712 63.100 0.074 0.000 0.760 1324 P CB 0.418 32.148 31.700 0.050 0.000 0.884 1325 T N -1.854 112.743 114.554 0.071 0.000 3.051 1325 T HA 0.116 4.463 4.350 -0.006 0.000 0.255 1325 T C 1.560 176.304 174.700 0.073 0.000 1.085 1325 T CA 0.754 62.886 62.100 0.052 0.000 1.109 1325 T CB 0.026 68.907 68.868 0.022 0.000 0.921 1325 T HN 0.054 nan 8.240 nan 0.000 0.488 1326 R N 0.131 120.713 120.500 0.137 0.000 2.076 1326 R HA 0.401 4.738 4.340 -0.006 0.000 0.203 1326 R C 0.811 177.308 176.300 0.329 0.000 1.229 1326 R CA -0.301 55.929 56.100 0.216 0.000 1.094 1326 R CB -0.449 29.971 30.300 0.200 0.000 0.991 1326 R HN 0.281 nan 8.270 nan 0.000 0.471 1327 I N 2.478 123.262 120.570 0.357 0.000 2.907 1327 I HA -0.345 3.822 4.170 -0.006 0.000 0.201 1327 I C -1.010 175.267 176.117 0.268 0.000 0.920 1327 I CA 0.865 62.292 61.300 0.211 0.000 2.606 1327 I CB 0.166 38.246 38.000 0.133 0.000 0.713 1327 I HN 0.168 nan 8.210 nan 0.000 0.360 1328 Y N 7.055 127.372 120.300 0.028 0.000 2.536 1328 Y HA 0.630 5.177 4.550 -0.006 0.000 0.347 1328 Y C -0.515 175.410 175.900 0.042 0.000 1.000 1328 Y CA -1.047 57.091 58.100 0.063 0.000 1.051 1328 Y CB 2.054 40.577 38.460 0.105 0.000 1.259 1328 Y HN 0.520 nan 8.280 nan 0.000 0.468 1329 T N 4.611 118.877 114.554 -0.479 0.000 2.937 1329 T HA 0.145 4.492 4.350 -0.006 0.000 0.297 1329 T C 0.382 174.661 174.700 -0.702 0.000 0.991 1329 T CA -0.805 61.021 62.100 -0.456 0.000 0.990 1329 T CB 0.715 69.481 68.868 -0.170 0.000 0.991 1329 T HN 0.672 nan 8.240 nan 0.000 0.440 1330 N N 0.965 119.351 118.700 -0.524 0.000 2.513 1330 N HA -0.097 4.640 4.740 -0.006 0.000 0.187 1330 N C 0.853 176.331 175.510 -0.053 0.000 1.056 1330 N CA 0.315 53.187 53.050 -0.297 0.000 0.907 1330 N CB 0.087 38.513 38.487 -0.102 0.000 0.954 1330 N HN 0.408 nan 8.380 nan 0.000 0.445 1331 S N 0.341 115.985 115.700 -0.094 0.000 3.483 1331 S HA 0.138 4.605 4.470 -0.006 0.000 0.274 1331 S C 0.674 175.248 174.600 -0.044 0.000 1.289 1331 S CA -1.015 57.145 58.200 -0.066 0.000 0.938 1331 S CB -1.236 61.889 63.200 -0.125 0.000 1.453 1331 S HN 0.385 nan 8.310 nan 0.000 0.494 1332 F N 2.921 122.863 119.950 -0.014 0.000 2.287 1332 F HA -0.079 4.444 4.527 -0.006 0.000 0.301 1332 F C 1.512 177.332 175.800 0.034 0.000 1.069 1332 F CA 0.635 58.660 58.000 0.042 0.000 1.372 1332 F CB -0.401 38.642 39.000 0.071 0.000 1.056 1332 F HN 0.465 nan 8.300 nan 0.000 0.523 1333 I N 1.460 121.640 120.570 -0.650 0.000 2.252 1333 I HA -0.215 3.951 4.170 -0.006 0.000 0.245 1333 I C 1.974 177.974 176.117 -0.194 0.000 1.102 1333 I CA 1.514 62.507 61.300 -0.513 0.000 1.385 1333 I CB -0.834 36.768 38.000 -0.664 0.000 1.064 1333 I HN 0.259 nan 8.210 nan 0.000 0.414 1334 D N 0.718 121.030 120.400 -0.147 0.000 2.077 1334 D HA -0.161 4.475 4.640 -0.006 0.000 0.196 1334 D C 2.284 178.575 176.300 -0.014 0.000 0.986 1334 D CA 0.956 54.915 54.000 -0.069 0.000 0.829 1334 D CB 0.055 40.819 40.800 -0.060 0.000 0.983 1334 D HN 0.143 nan 8.370 nan 0.000 0.453 1335 I N 1.972 122.557 120.570 0.026 0.000 2.130 1335 I HA -0.345 3.821 4.170 -0.006 0.000 0.241 1335 I C 2.622 178.784 176.117 0.074 0.000 1.023 1335 I CA 1.383 62.734 61.300 0.086 0.000 1.293 1335 I CB -1.009 37.092 38.000 0.168 0.000 1.001 1335 I HN 0.190 nan 8.210 nan 0.000 0.407 1336 M N 0.939 120.585 119.600 0.078 0.000 2.073 1336 M HA -0.279 4.198 4.480 -0.006 0.000 0.258 1336 M C 2.032 178.355 176.300 0.038 0.000 1.070 1336 M CA 2.160 57.502 55.300 0.070 0.000 1.103 1336 M CB -0.559 32.090 32.600 0.082 0.000 1.321 1336 M HN 0.253 nan 8.290 nan 0.000 0.405 1337 E N -0.384 119.824 120.200 0.012 0.000 2.331 1337 E HA -0.146 4.201 4.350 -0.006 0.000 0.199 1337 E C 1.885 178.492 176.600 0.012 0.000 1.008 1337 E CA 1.202 57.606 56.400 0.006 0.000 0.843 1337 E CB -0.121 29.572 29.700 -0.011 0.000 0.761 1337 E HN 0.421 nan 8.360 nan 0.000 0.507 1338 V N 0.379 120.304 119.914 0.019 0.000 2.484 1338 V HA -0.064 4.053 4.120 -0.006 0.000 0.236 1338 V C 1.726 177.839 176.094 0.030 0.000 1.062 1338 V CA 0.837 63.150 62.300 0.022 0.000 1.081 1338 V CB -0.026 31.812 31.823 0.024 0.000 0.751 1338 V HN 0.216 nan 8.190 nan 0.000 0.484 1339 L N 0.474 121.723 121.223 0.043 0.000 2.599 1339 L HA 0.394 4.731 4.340 -0.006 0.000 0.230 1339 L C 0.971 177.867 176.870 0.044 0.000 1.141 1339 L CA 0.662 55.529 54.840 0.046 0.000 0.877 1339 L CB -0.847 41.248 42.059 0.060 0.000 1.009 1339 L HN 0.569 nan 8.230 nan 0.000 0.447 1340 G N 0.109 108.935 108.800 0.043 0.000 2.712 1340 G HA2 -0.241 3.716 3.960 -0.006 0.000 0.686 1340 G HA3 -0.241 3.716 3.960 -0.006 0.000 0.686 1340 G C 0.220 175.153 174.900 0.055 0.000 1.321 1340 G CA -0.316 44.810 45.100 0.043 0.000 0.813 1340 G HN -0.061 nan 8.290 nan 0.000 0.599 1341 I N 0.720 121.323 120.570 0.055 0.000 2.113 1341 I HA -0.130 4.036 4.170 -0.006 0.000 0.242 1341 I C 2.572 178.729 176.117 0.068 0.000 1.064 1341 I CA 2.673 64.013 61.300 0.066 0.000 1.320 1341 I CB -0.208 37.827 38.000 0.058 0.000 1.028 1341 I HN 0.700 nan 8.210 nan 0.000 0.406 1342 E N 0.135 120.368 120.200 0.054 0.000 2.267 1342 E HA -0.195 4.152 4.350 -0.006 0.000 0.197 1342 E C 2.106 178.734 176.600 0.047 0.000 0.998 1342 E CA 1.130 57.558 56.400 0.047 0.000 0.830 1342 E CB -0.184 29.538 29.700 0.036 0.000 0.751 1342 E HN 0.616 nan 8.360 nan 0.000 0.491 1343 A N 0.521 123.375 122.820 0.057 0.000 1.874 1343 A HA 0.034 4.350 4.320 -0.006 0.000 0.214 1343 A C 2.446 180.090 177.584 0.101 0.000 1.189 1343 A CA 1.412 53.488 52.037 0.064 0.000 0.615 1343 A CB -0.919 18.123 19.000 0.070 0.000 0.830 1343 A HN 0.322 nan 8.150 nan 0.000 0.443 1344 G N 0.011 108.884 108.800 0.123 0.000 2.553 1344 G HA2 -0.350 3.607 3.960 -0.006 0.000 0.218 1344 G HA3 -0.350 3.607 3.960 -0.006 0.000 0.218 1344 G C 1.728 176.724 174.900 0.159 0.000 1.195 1344 G CA 1.338 46.546 45.100 0.180 0.000 0.779 1344 G HN 0.576 nan 8.290 nan 0.000 0.577 1345 R N 0.780 121.346 120.500 0.110 0.000 2.168 1345 R HA -0.225 4.112 4.340 -0.006 0.000 0.242 1345 R C 2.822 179.167 176.300 0.075 0.000 1.123 1345 R CA 2.320 58.465 56.100 0.076 0.000 0.928 1345 R CB -0.846 29.484 30.300 0.049 0.000 0.873 1345 R HN 0.299 nan 8.270 nan 0.000 0.434 1346 A N 0.116 122.969 122.820 0.055 0.000 2.009 1346 A HA -0.231 4.086 4.320 -0.006 0.000 0.222 1346 A C 2.290 179.932 177.584 0.097 0.000 1.175 1346 A CA 2.349 54.404 52.037 0.029 0.000 0.651 1346 A CB -0.701 18.293 19.000 -0.010 0.000 0.815 1346 A HN 0.687 nan 8.150 nan 0.000 0.459 1347 A N -1.374 121.540 122.820 0.156 0.000 1.956 1347 A HA 0.265 4.581 4.320 -0.006 0.000 0.212 1347 A C 1.948 179.598 177.584 0.110 0.000 1.188 1347 A CA 1.079 53.261 52.037 0.242 0.000 0.675 1347 A CB -0.494 18.753 19.000 0.411 0.000 0.845 1347 A HN 0.643 nan 8.150 nan 0.000 0.455 1348 L N -0.711 120.506 121.223 -0.009 0.000 2.051 1348 L HA -0.236 4.100 4.340 -0.006 0.000 0.214 1348 L C 2.164 178.934 176.870 -0.166 0.000 1.076 1348 L CA 2.635 57.262 54.840 -0.354 0.000 0.758 1348 L CB -1.153 40.761 42.059 -0.242 0.000 0.890 1348 L HN 0.594 nan 8.230 nan 0.000 0.433 1349 Y N 0.096 120.321 120.300 -0.126 0.000 2.114 1349 Y HA -0.241 4.306 4.550 -0.006 0.000 0.284 1349 Y C 2.776 178.666 175.900 -0.017 0.000 1.119 1349 Y CA 2.044 60.093 58.100 -0.085 0.000 1.108 1349 Y CB -0.320 38.082 38.460 -0.096 0.000 0.995 1349 Y HN 0.158 nan 8.280 nan 0.000 0.491 1350 K N 0.036 120.740 120.400 0.506 0.000 2.163 1350 K HA -0.357 3.960 4.320 -0.006 0.000 0.210 1350 K C 1.874 178.605 176.600 0.218 0.000 1.048 1350 K CA 2.305 58.805 56.287 0.354 0.000 0.928 1350 K CB -0.193 32.415 32.500 0.180 0.000 0.716 1350 K HN 0.378 nan 8.250 nan 0.000 0.459 1351 E N -0.083 120.206 120.200 0.149 0.000 2.016 1351 E HA -0.091 4.256 4.350 -0.006 0.000 0.190 1351 E C 1.897 178.504 176.600 0.011 0.000 0.985 1351 E CA 1.140 57.598 56.400 0.097 0.000 0.802 1351 E CB -0.166 29.560 29.700 0.042 0.000 0.762 1351 E HN 0.099 nan 8.360 nan 0.000 0.448 1352 V N 0.905 120.757 119.914 -0.103 0.000 2.250 1352 V HA -0.355 3.762 4.120 -0.006 0.000 0.253 1352 V C 2.036 178.060 176.094 -0.117 0.000 1.065 1352 V CA 2.413 64.623 62.300 -0.150 0.000 1.039 1352 V CB -0.807 30.869 31.823 -0.245 0.000 0.647 1352 V HN 0.400 nan 8.190 nan 0.000 0.446 1353 Y N 1.534 121.633 120.300 -0.336 0.000 1.940 1353 Y HA -0.376 4.171 4.550 -0.005 0.000 0.250 1353 Y C 2.699 178.549 175.900 -0.083 0.000 1.132 1353 Y CA 2.468 60.421 58.100 -0.244 0.000 1.079 1353 Y CB -0.773 37.561 38.460 -0.209 0.000 0.940 1353 Y HN 0.256 nan 8.280 nan 0.000 0.490 1354 N N 0.036 118.905 118.700 0.282 0.000 2.139 1354 N HA -0.309 4.427 4.740 -0.006 0.000 0.199 1354 N C 1.885 177.401 175.510 0.011 0.000 1.003 1354 N CA 1.903 55.042 53.050 0.148 0.000 0.892 1354 N CB -0.827 37.770 38.487 0.182 0.000 1.039 1354 N HN 0.370 nan 8.380 nan 0.000 0.461 1355 V N 2.424 122.336 119.914 -0.003 0.000 2.215 1355 V HA -0.283 3.834 4.120 -0.006 0.000 0.249 1355 V C 2.384 178.438 176.094 -0.067 0.000 1.054 1355 V CA 1.685 63.968 62.300 -0.029 0.000 1.012 1355 V CB -0.418 31.380 31.823 -0.041 0.000 0.639 1355 V HN 0.187 nan 8.190 nan 0.000 0.448 1356 I N 0.168 120.669 120.570 -0.116 0.000 2.052 1356 I HA -0.280 3.887 4.170 -0.006 0.000 0.235 1356 I C 2.799 178.815 176.117 -0.169 0.000 1.046 1356 I CA 2.225 63.438 61.300 -0.145 0.000 1.308 1356 I CB -2.149 35.733 38.000 -0.196 0.000 1.031 1356 I HN 0.393 nan 8.210 nan 0.000 0.395 1357 A N 1.809 124.445 122.820 -0.305 0.000 1.882 1357 A HA -0.352 3.964 4.320 -0.006 0.000 0.220 1357 A C 2.559 180.064 177.584 -0.133 0.000 1.253 1357 A CA 3.954 55.795 52.037 -0.328 0.000 0.664 1357 A CB -1.467 17.215 19.000 -0.530 0.000 0.838 1357 A HN 0.655 nan 8.150 nan 0.000 0.460 1358 S N 0.072 115.729 115.700 -0.072 0.000 2.393 1358 S HA -0.328 4.139 4.470 -0.006 0.000 0.234 1358 S C 1.350 175.935 174.600 -0.024 0.000 1.064 1358 S CA 2.104 60.290 58.200 -0.024 0.000 1.088 1358 S CB -1.057 62.140 63.200 -0.005 0.000 0.939 1358 S HN 0.625 nan 8.310 nan 0.000 0.448 1359 D N 1.181 121.559 120.400 -0.036 0.000 2.392 1359 D HA 0.297 4.934 4.640 -0.006 0.000 0.228 1359 D C 1.481 177.768 176.300 -0.022 0.000 1.003 1359 D CA 1.069 55.053 54.000 -0.026 0.000 0.917 1359 D CB -0.458 40.321 40.800 -0.035 0.000 0.890 1359 D HN 0.624 nan 8.370 nan 0.000 0.532 1360 G N -0.646 108.138 108.800 -0.026 0.000 2.729 1360 G HA2 -0.307 3.650 3.960 -0.006 0.000 0.216 1360 G HA3 -0.307 3.650 3.960 -0.006 0.000 0.216 1360 G C 0.602 175.495 174.900 -0.011 0.000 1.252 1360 G CA 0.039 45.131 45.100 -0.012 0.000 0.751 1360 G HN 0.332 nan 8.290 nan 0.000 0.527 1361 S N 1.464 117.154 115.700 -0.018 0.000 2.571 1361 S HA 0.366 4.833 4.470 -0.006 0.000 0.298 1361 S C -0.133 174.482 174.600 0.025 0.000 1.280 1361 S CA 0.659 58.855 58.200 -0.005 0.000 1.052 1361 S CB 0.798 63.977 63.200 -0.035 0.000 0.799 1361 S HN 1.012 nan 8.310 nan 0.000 0.501 1362 Y N 2.100 122.354 120.300 -0.077 0.000 2.567 1362 Y HA 0.703 5.250 4.550 -0.005 0.000 0.333 1362 Y C -0.879 174.999 175.900 -0.037 0.000 1.106 1362 Y CA -2.036 56.022 58.100 -0.071 0.000 1.157 1362 Y CB 1.027 39.478 38.460 -0.015 0.000 1.277 1362 Y HN 0.380 nan 8.280 nan 0.000 0.490 1363 V N 4.509 124.678 119.914 0.425 0.000 2.697 1363 V HA 0.151 4.268 4.120 -0.006 0.000 0.300 1363 V C -0.728 175.506 176.094 0.233 0.000 1.115 1363 V CA -1.423 60.893 62.300 0.026 0.000 0.912 1363 V CB 1.707 33.573 31.823 0.071 0.000 1.024 1363 V HN 0.852 nan 8.190 nan 0.000 0.431 1364 N N 2.997 121.687 118.700 -0.017 0.000 2.412 1364 N HA 0.002 4.739 4.740 -0.006 0.000 0.258 1364 N C 1.059 176.829 175.510 0.434 0.000 1.236 1364 N CA 0.244 53.480 53.050 0.311 0.000 0.882 1364 N CB 0.421 38.991 38.487 0.139 0.000 1.066 1364 N HN 0.713 nan 8.380 nan 0.000 0.465 1365 Y N 5.097 125.624 120.300 0.379 0.000 1.938 1365 Y HA -0.493 4.053 4.550 -0.006 0.000 0.253 1365 Y C 2.328 178.322 175.900 0.157 0.000 1.163 1365 Y CA 2.793 61.096 58.100 0.338 0.000 1.086 1365 Y CB -0.316 38.323 38.460 0.298 0.000 0.928 1365 Y HN 0.781 nan 8.280 nan 0.000 0.493 1366 R N -0.702 119.984 120.500 0.310 0.000 2.224 1366 R HA -0.358 3.979 4.340 -0.006 0.000 0.255 1366 R C 1.846 178.026 176.300 -0.200 0.000 1.130 1366 R CA 2.140 58.186 56.100 -0.090 0.000 0.957 1366 R CB -1.789 28.243 30.300 -0.447 0.000 0.907 1366 R HN 0.537 nan 8.270 nan 0.000 0.446 1367 H N 1.073 120.143 119.070 -0.001 0.000 2.355 1367 H HA -0.152 4.401 4.556 -0.006 0.000 0.293 1367 H C 2.467 177.759 175.328 -0.060 0.000 1.060 1367 H CA 2.236 58.278 56.048 -0.010 0.000 1.167 1367 H CB -0.647 29.118 29.762 0.006 0.000 1.376 1367 H HN 0.297 nan 8.280 nan 0.000 0.549 1368 M N 0.318 119.964 119.600 0.077 0.000 2.088 1368 M HA -0.220 4.257 4.480 -0.006 0.000 0.256 1368 M C 2.807 179.067 176.300 -0.067 0.000 1.071 1368 M CA 1.676 56.943 55.300 -0.054 0.000 1.097 1368 M CB -0.655 31.830 32.600 -0.191 0.000 1.315 1368 M HN 0.305 nan 8.290 nan 0.000 0.406 1369 A N 0.940 123.669 122.820 -0.151 0.000 1.882 1369 A HA -0.276 4.040 4.320 -0.006 0.000 0.220 1369 A C 2.152 179.674 177.584 -0.103 0.000 1.253 1369 A CA 2.368 54.264 52.037 -0.235 0.000 0.664 1369 A CB -1.298 17.382 19.000 -0.533 0.000 0.838 1369 A HN 0.484 nan 8.150 nan 0.000 0.460 1370 L N -0.769 120.400 121.223 -0.091 0.000 2.010 1370 L HA -0.232 4.105 4.340 -0.006 0.000 0.219 1370 L C 2.314 179.161 176.870 -0.039 0.000 1.077 1370 L CA 2.610 57.421 54.840 -0.048 0.000 0.773 1370 L CB -0.812 41.241 42.059 -0.010 0.000 0.892 1370 L HN 0.498 nan 8.230 nan 0.000 0.436 1371 L N -1.078 120.122 121.223 -0.039 0.000 1.941 1371 L HA -0.244 4.092 4.340 -0.006 0.000 0.224 1371 L C 2.442 179.288 176.870 -0.040 0.000 1.081 1371 L CA 2.384 57.195 54.840 -0.048 0.000 0.784 1371 L CB -1.237 40.786 42.059 -0.059 0.000 0.894 1371 L HN 0.140 nan 8.230 nan 0.000 0.436 1372 V N 0.463 120.355 119.914 -0.037 0.000 2.222 1372 V HA -0.434 3.683 4.120 -0.006 0.000 0.252 1372 V C 2.449 178.538 176.094 -0.008 0.000 1.060 1372 V CA 2.356 64.643 62.300 -0.021 0.000 1.027 1372 V CB -0.930 30.904 31.823 0.019 0.000 0.644 1372 V HN 0.589 nan 8.190 nan 0.000 0.448 1373 D N -0.391 120.000 120.400 -0.015 0.000 2.133 1373 D HA -0.154 4.483 4.640 -0.006 0.000 0.195 1373 D C 2.105 178.396 176.300 -0.016 0.000 0.997 1373 D CA 1.691 55.682 54.000 -0.014 0.000 0.840 1373 D CB -0.389 40.396 40.800 -0.026 0.000 0.947 1373 D HN 0.371 nan 8.370 nan 0.000 0.452 1374 V N 1.173 121.072 119.914 -0.026 0.000 2.343 1374 V HA -0.258 3.858 4.120 -0.006 0.000 0.247 1374 V C 2.546 178.638 176.094 -0.003 0.000 1.051 1374 V CA 1.399 63.682 62.300 -0.027 0.000 1.036 1374 V CB -0.445 31.348 31.823 -0.051 0.000 0.654 1374 V HN 0.225 nan 8.190 nan 0.000 0.451 1375 M N -0.537 119.067 119.600 0.007 0.000 2.086 1375 M HA -0.160 4.316 4.480 -0.006 0.000 0.261 1375 M C 2.123 178.453 176.300 0.049 0.000 1.067 1375 M CA 1.951 57.274 55.300 0.039 0.000 1.116 1375 M CB -0.862 31.763 32.600 0.041 0.000 1.348 1375 M HN 0.203 nan 8.290 nan 0.000 0.407 1376 T N 0.414 114.992 114.554 0.041 0.000 3.308 1376 T HA -0.013 4.333 4.350 -0.006 0.000 0.255 1376 T C 1.504 176.227 174.700 0.039 0.000 1.162 1376 T CA 1.337 63.467 62.100 0.050 0.000 1.031 1376 T CB -0.426 68.471 68.868 0.049 0.000 0.973 1376 T HN 0.587 nan 8.240 nan 0.000 0.544 1377 T N -2.405 112.165 114.554 0.027 0.000 2.985 1377 T HA 0.186 4.533 4.350 -0.006 0.000 0.254 1377 T C 1.315 176.030 174.700 0.025 0.000 1.021 1377 T CA -0.155 61.957 62.100 0.020 0.000 0.957 1377 T CB 0.011 68.876 68.868 -0.004 0.000 1.047 1377 T HN 0.229 nan 8.240 nan 0.000 0.511 1378 Q N 0.978 120.797 119.800 0.031 0.000 2.307 1378 Q HA 0.345 4.682 4.340 -0.006 0.000 0.216 1378 Q C 1.603 177.625 176.000 0.037 0.000 0.931 1378 Q CA 0.323 56.146 55.803 0.032 0.000 0.953 1378 Q CB -0.377 28.382 28.738 0.036 0.000 1.006 1378 Q HN 0.811 nan 8.270 nan 0.000 0.472 1379 G N -0.611 108.212 108.800 0.039 0.000 2.363 1379 G HA2 -0.302 3.654 3.960 -0.006 0.000 0.238 1379 G HA3 -0.302 3.654 3.960 -0.006 0.000 0.238 1379 G C 0.515 175.443 174.900 0.047 0.000 1.062 1379 G CA -0.175 44.950 45.100 0.042 0.000 0.629 1379 G HN 0.589 nan 8.290 nan 0.000 0.514 1380 G N -0.576 108.254 108.800 0.049 0.000 2.574 1380 G HA2 0.621 4.577 3.960 -0.006 0.000 0.248 1380 G HA3 0.621 4.577 3.960 -0.006 0.000 0.248 1380 G C -0.331 174.614 174.900 0.074 0.000 1.422 1380 G CA -0.542 44.592 45.100 0.056 0.000 1.051 1380 G HN 0.718 nan 8.290 nan 0.000 0.560 1381 L N 0.432 121.705 121.223 0.084 0.000 2.296 1381 L HA 0.475 4.811 4.340 -0.006 0.000 0.286 1381 L C -0.541 176.390 176.870 0.101 0.000 1.023 1381 L CA -0.399 54.513 54.840 0.120 0.000 0.812 1381 L CB 1.989 44.134 42.059 0.144 0.000 1.223 1381 L HN 0.394 nan 8.230 nan 0.000 0.421 1382 T N 1.085 115.701 114.554 0.103 0.000 2.864 1382 T HA 0.205 4.551 4.350 -0.006 0.000 0.299 1382 T C 0.031 174.794 174.700 0.105 0.000 1.011 1382 T CA -0.660 61.496 62.100 0.093 0.000 0.975 1382 T CB 1.301 70.220 68.868 0.085 0.000 0.962 1382 T HN 0.696 nan 8.240 nan 0.000 0.448 1383 S N 1.894 117.647 115.700 0.089 0.000 2.537 1383 S HA 0.002 4.469 4.470 -0.006 0.000 0.280 1383 S C 1.164 175.827 174.600 0.105 0.000 1.335 1383 S CA -0.499 57.742 58.200 0.068 0.000 1.025 1383 S CB 0.139 63.341 63.200 0.003 0.000 0.836 1383 S HN 0.553 nan 8.310 nan 0.000 0.523 1384 V N 0.854 120.833 119.914 0.107 0.000 3.421 1384 V HA 0.187 4.303 4.120 -0.006 0.000 0.316 1384 V C 0.820 176.943 176.094 0.048 0.000 1.347 1384 V CA 0.165 62.632 62.300 0.279 0.000 1.183 1384 V CB -1.850 30.078 31.823 0.176 0.000 1.092 1384 V HN 0.963 nan 8.190 nan 0.000 0.433 1385 T N -0.434 113.993 114.554 -0.212 0.000 2.937 1385 T HA 0.370 4.716 4.350 -0.006 0.000 0.283 1385 T C 1.107 175.488 174.700 -0.532 0.000 1.012 1385 T CA -0.836 61.058 62.100 -0.343 0.000 0.997 1385 T CB 1.335 70.039 68.868 -0.274 0.000 1.136 1385 T HN 0.404 nan 8.240 nan 0.000 0.551 1386 R N -0.175 120.170 120.500 -0.258 0.000 2.397 1386 R HA -0.117 4.219 4.340 -0.006 0.000 0.213 1386 R C 0.656 177.079 176.300 0.205 0.000 1.102 1386 R CA 1.228 57.308 56.100 -0.032 0.000 1.040 1386 R CB -0.639 29.791 30.300 0.218 0.000 0.844 1386 R HN 0.570 nan 8.270 nan 0.000 0.478 1387 H N 0.434 119.408 119.070 -0.160 0.000 2.368 1387 H HA 0.232 4.785 4.556 -0.006 0.000 0.311 1387 H C 1.982 177.260 175.328 -0.084 0.000 1.042 1387 H CA 0.680 56.676 56.048 -0.086 0.000 1.377 1387 H CB -0.887 28.845 29.762 -0.050 0.000 1.473 1387 H HN 0.252 nan 8.280 nan 0.000 0.593 1388 G N 1.424 110.258 108.800 0.057 0.000 2.529 1388 G HA2 -0.243 3.713 3.960 -0.006 0.000 0.167 1388 G HA3 -0.243 3.713 3.960 -0.006 0.000 0.167 1388 G C 1.249 176.168 174.900 0.031 0.000 1.615 1388 G CA 0.769 45.895 45.100 0.043 0.000 0.885 1388 G HN 0.440 nan 8.290 nan 0.000 0.394 1389 F N 1.335 121.272 119.950 -0.021 0.000 2.376 1389 F HA -0.139 4.384 4.527 -0.006 0.000 0.297 1389 F C 1.460 177.200 175.800 -0.098 0.000 1.044 1389 F CA 1.599 59.554 58.000 -0.075 0.000 1.452 1389 F CB -0.777 38.145 39.000 -0.129 0.000 1.113 1389 F HN 0.168 nan 8.300 nan 0.000 0.580 1390 N N -0.287 118.343 118.700 -0.115 0.000 2.205 1390 N HA 0.091 4.828 4.740 -0.006 0.000 0.201 1390 N C 1.553 177.074 175.510 0.017 0.000 1.128 1390 N CA 0.304 53.337 53.050 -0.028 0.000 0.867 1390 N CB 0.065 38.476 38.487 -0.127 0.000 0.996 1390 N HN 0.478 nan 8.380 nan 0.000 0.503 1391 R N -0.003 120.505 120.500 0.014 0.000 2.282 1391 R HA 0.170 4.507 4.340 -0.006 0.000 0.195 1391 R C 0.648 176.961 176.300 0.020 0.000 0.909 1391 R CA 0.581 56.686 56.100 0.007 0.000 1.039 1391 R CB -0.490 29.804 30.300 -0.010 0.000 1.015 1391 R HN 0.007 nan 8.270 nan 0.000 0.513 1392 S N 2.292 118.016 115.700 0.040 0.000 3.282 1392 S HA -0.173 4.293 4.470 -0.006 0.000 0.247 1392 S C 0.056 174.674 174.600 0.029 0.000 1.018 1392 S CA 0.637 58.861 58.200 0.041 0.000 1.207 1392 S CB -1.878 61.360 63.200 0.063 0.000 1.071 1392 S HN 0.784 nan 8.310 nan 0.000 0.496 1393 N N -2.612 116.102 118.700 0.022 0.000 2.946 1393 N HA -0.260 4.477 4.740 -0.006 0.000 0.223 1393 N C 0.184 175.705 175.510 0.019 0.000 0.850 1393 N CA 1.380 54.441 53.050 0.018 0.000 1.057 1393 N CB -2.938 35.560 38.487 0.018 0.000 1.020 1393 N HN 0.532 nan 8.380 nan 0.000 0.616 1394 T N 1.226 115.792 114.554 0.020 0.000 2.623 1394 T HA 0.263 4.610 4.350 -0.006 0.000 0.359 1394 T C 1.371 176.087 174.700 0.027 0.000 1.077 1394 T CA 0.613 62.724 62.100 0.019 0.000 1.075 1394 T CB 0.190 69.067 68.868 0.015 0.000 0.999 1394 T HN 0.486 nan 8.240 nan 0.000 0.548 1395 G N -0.807 108.012 108.800 0.033 0.000 2.684 1395 G HA2 0.416 4.372 3.960 -0.006 0.000 0.255 1395 G HA3 0.416 4.372 3.960 -0.006 0.000 0.255 1395 G C 1.088 176.025 174.900 0.062 0.000 1.219 1395 G CA -0.210 44.924 45.100 0.057 0.000 0.901 1395 G HN 0.838 nan 8.290 nan 0.000 0.548 1396 A N -0.374 122.508 122.820 0.104 0.000 1.861 1396 A HA 0.108 4.424 4.320 -0.006 0.000 0.212 1396 A C 2.462 180.067 177.584 0.036 0.000 1.199 1396 A CA 0.990 53.051 52.037 0.040 0.000 0.613 1396 A CB -0.596 18.378 19.000 -0.043 0.000 0.846 1396 A HN 0.537 nan 8.150 nan 0.000 0.446 1397 L N -1.023 120.274 121.223 0.123 0.000 2.064 1397 L HA -0.324 4.013 4.340 -0.006 0.000 0.216 1397 L C 2.781 179.681 176.870 0.051 0.000 1.077 1397 L CA 2.171 57.067 54.840 0.093 0.000 0.766 1397 L CB -0.504 41.626 42.059 0.119 0.000 0.890 1397 L HN 0.600 nan 8.230 nan 0.000 0.435 1398 M N -0.201 119.426 119.600 0.044 0.000 2.286 1398 M HA -0.286 4.190 4.480 -0.006 0.000 0.262 1398 M C 2.469 178.798 176.300 0.048 0.000 1.071 1398 M CA 1.985 57.302 55.300 0.029 0.000 1.091 1398 M CB -0.214 32.392 32.600 0.010 0.000 1.260 1398 M HN 0.012 nan 8.290 nan 0.000 0.442 1399 R N -0.530 119.999 120.500 0.048 0.000 2.153 1399 R HA -0.253 4.084 4.340 -0.006 0.000 0.252 1399 R C 2.314 178.681 176.300 0.111 0.000 1.158 1399 R CA 1.839 57.990 56.100 0.084 0.000 0.975 1399 R CB -1.605 28.727 30.300 0.054 0.000 0.871 1399 R HN 0.567 nan 8.270 nan 0.000 0.450 1400 C N 0.838 120.165 119.300 0.045 0.000 2.336 1400 C HA -0.196 4.261 4.460 -0.006 0.000 0.275 1400 C C 2.680 177.717 174.990 0.078 0.000 1.175 1400 C CA 1.754 60.784 59.018 0.020 0.000 1.771 1400 C CB -1.065 26.665 27.740 -0.016 0.000 2.030 1400 C HN 0.686 nan 8.230 nan 0.000 0.442 1401 S N -1.176 114.579 115.700 0.092 0.000 2.812 1401 S HA -0.038 4.428 4.470 -0.006 0.000 0.253 1401 S C -0.063 174.686 174.600 0.249 0.000 0.990 1401 S CA 0.794 59.067 58.200 0.122 0.000 1.010 1401 S CB -0.769 62.486 63.200 0.092 0.000 0.787 1401 S HN 0.668 nan 8.310 nan 0.000 0.547 1402 F N -0.558 119.413 119.950 0.036 0.000 3.262 1402 F HA 0.410 4.934 4.527 -0.006 0.000 0.327 1402 F C 1.031 176.856 175.800 0.041 0.000 1.206 1402 F CA -0.955 57.083 58.000 0.063 0.000 0.930 1402 F CB -0.093 38.979 39.000 0.120 0.000 1.513 1402 F HN -0.026 nan 8.300 nan 0.000 0.519 1403 E N 0.453 120.318 120.200 -0.559 0.000 2.094 1403 E HA -0.266 4.080 4.350 -0.006 0.000 0.232 1403 E C -0.204 176.342 176.600 -0.090 0.000 1.055 1403 E CA 2.259 58.422 56.400 -0.395 0.000 0.923 1403 E CB -0.408 28.926 29.700 -0.610 0.000 0.815 1403 E HN 0.451 nan 8.360 nan 0.000 0.502 1404 E N 1.076 121.283 120.200 0.011 0.000 1.964 1404 E HA 0.075 4.422 4.350 -0.006 0.000 0.264 1404 E C 0.329 176.921 176.600 -0.013 0.000 1.120 1404 E CA -0.136 56.263 56.400 -0.001 0.000 1.061 1404 E CB 0.612 30.321 29.700 0.014 0.000 1.190 1404 E HN 0.231 nan 8.360 nan 0.000 0.459 1405 T N -0.319 114.213 114.554 -0.037 0.000 2.857 1405 T HA -0.125 4.221 4.350 -0.006 0.000 0.266 1405 T C 1.892 176.502 174.700 -0.150 0.000 1.048 1405 T CA 0.311 62.368 62.100 -0.072 0.000 1.139 1405 T CB 0.123 68.951 68.868 -0.066 0.000 0.874 1405 T HN 0.190 nan 8.240 nan 0.000 0.455 1406 V N 2.356 122.176 119.914 -0.157 0.000 2.379 1406 V HA -0.121 3.996 4.120 -0.006 0.000 0.245 1406 V C 2.739 178.570 176.094 -0.439 0.000 1.044 1406 V CA 1.676 63.798 62.300 -0.297 0.000 1.036 1406 V CB -0.398 31.322 31.823 -0.172 0.000 0.664 1406 V HN 0.642 nan 8.190 nan 0.000 0.453 1407 E N -0.320 119.818 120.200 -0.103 0.000 2.112 1407 E HA -0.144 4.203 4.350 -0.006 0.000 0.190 1407 E C 2.130 178.728 176.600 -0.003 0.000 0.979 1407 E CA 0.984 57.450 56.400 0.109 0.000 0.814 1407 E CB -0.262 29.506 29.700 0.113 0.000 0.762 1407 E HN 0.429 nan 8.360 nan 0.000 0.460 1408 I N 1.578 122.092 120.570 -0.093 0.000 2.394 1408 I HA -0.157 4.009 4.170 -0.006 0.000 0.251 1408 I C 2.447 178.412 176.117 -0.254 0.000 1.136 1408 I CA 0.859 62.085 61.300 -0.123 0.000 1.425 1408 I CB -0.890 37.050 38.000 -0.099 0.000 1.079 1408 I HN 0.159 nan 8.210 nan 0.000 0.425 1409 L N -0.810 120.203 121.223 -0.351 0.000 2.109 1409 L HA -0.170 4.166 4.340 -0.006 0.000 0.207 1409 L C 2.491 179.101 176.870 -0.433 0.000 1.086 1409 L CA 1.282 55.785 54.840 -0.562 0.000 0.760 1409 L CB -0.263 41.444 42.059 -0.587 0.000 0.910 1409 L HN 0.073 nan 8.230 nan 0.000 0.437 1410 F N 0.330 120.173 119.950 -0.179 0.000 2.059 1410 F HA -0.175 4.349 4.527 -0.005 0.000 0.289 1410 F C 2.636 178.435 175.800 -0.001 0.000 1.128 1410 F CA 0.828 58.785 58.000 -0.073 0.000 1.181 1410 F CB -0.397 38.568 39.000 -0.059 0.000 1.012 1410 F HN 0.073 nan 8.300 nan 0.000 0.473 1411 E N 1.233 121.547 120.200 0.191 0.000 2.233 1411 E HA -0.275 4.072 4.350 -0.006 0.000 0.199 1411 E C 2.144 178.711 176.600 -0.055 0.000 1.004 1411 E CA 1.249 57.656 56.400 0.013 0.000 0.819 1411 E CB -0.768 28.892 29.700 -0.066 0.000 0.738 1411 E HN 0.460 nan 8.360 nan 0.000 0.478 1412 A N 2.097 124.857 122.820 -0.101 0.000 1.873 1412 A HA -0.012 4.305 4.320 -0.006 0.000 0.215 1412 A C 2.550 180.124 177.584 -0.016 0.000 1.186 1412 A CA 1.677 53.622 52.037 -0.154 0.000 0.616 1412 A CB -1.270 17.419 19.000 -0.518 0.000 0.823 1412 A HN 0.376 nan 8.150 nan 0.000 0.442 1413 G N -0.232 108.572 108.800 0.007 0.000 2.545 1413 G HA2 -0.086 3.870 3.960 -0.006 0.000 0.217 1413 G HA3 -0.086 3.870 3.960 -0.006 0.000 0.217 1413 G C 1.837 176.818 174.900 0.135 0.000 1.218 1413 G CA 2.015 47.215 45.100 0.166 0.000 0.787 1413 G HN 0.868 nan 8.290 nan 0.000 0.571 1414 A N 0.600 123.485 122.820 0.109 0.000 1.892 1414 A HA -0.046 4.271 4.320 -0.006 0.000 0.218 1414 A C 2.615 180.017 177.584 -0.304 0.000 1.188 1414 A CA 2.501 54.474 52.037 -0.107 0.000 0.631 1414 A CB -0.733 18.062 19.000 -0.340 0.000 0.822 1414 A HN 0.383 nan 8.150 nan 0.000 0.447 1415 S N -0.813 114.713 115.700 -0.289 0.000 2.603 1415 S HA 0.334 4.800 4.470 -0.006 0.000 0.229 1415 S C 1.012 175.545 174.600 -0.111 0.000 0.972 1415 S CA 0.837 58.858 58.200 -0.298 0.000 0.935 1415 S CB -0.447 62.613 63.200 -0.234 0.000 0.769 1415 S HN 1.769 nan 8.310 nan 0.000 0.536 1416 A N 1.509 124.328 122.820 -0.001 0.000 2.578 1416 A HA -0.198 4.118 4.320 -0.006 0.000 0.298 1416 A C 0.192 177.852 177.584 0.126 0.000 1.472 1416 A CA 0.489 52.598 52.037 0.120 0.000 0.734 1416 A CB -2.005 17.115 19.000 0.200 0.000 1.091 1416 A HN 0.600 nan 8.150 nan 0.000 0.426 1417 E N -1.369 118.919 120.200 0.147 0.000 2.418 1417 E HA 0.358 4.705 4.350 -0.006 0.000 0.261 1417 E C -0.045 176.638 176.600 0.139 0.000 1.070 1417 E CA -0.130 56.358 56.400 0.148 0.000 0.931 1417 E CB 0.654 30.474 29.700 0.201 0.000 0.954 1417 E HN 0.774 nan 8.360 nan 0.000 0.439 1418 L N 2.546 123.822 121.223 0.087 0.000 2.343 1418 L HA 0.273 4.610 4.340 -0.006 0.000 0.278 1418 L C -0.882 176.005 176.870 0.029 0.000 0.996 1418 L CA -0.364 54.493 54.840 0.028 0.000 0.831 1418 L CB 1.544 43.631 42.059 0.046 0.000 1.232 1418 L HN 0.358 nan 8.230 nan 0.000 0.413 1419 D N 2.777 123.168 120.400 -0.015 0.000 2.249 1419 D HA 0.075 4.712 4.640 -0.006 0.000 0.246 1419 D C 0.157 176.449 176.300 -0.014 0.000 1.114 1419 D CA -0.091 53.917 54.000 0.015 0.000 0.854 1419 D CB 1.851 42.671 40.800 0.032 0.000 1.132 1419 D HN 0.681 nan 8.370 nan 0.000 0.461 1420 D N 1.764 122.167 120.400 0.005 0.000 2.084 1420 D HA -0.124 4.513 4.640 -0.006 0.000 0.194 1420 D C 0.461 176.755 176.300 -0.009 0.000 0.990 1420 D CA 0.916 54.916 54.000 0.000 0.000 0.826 1420 D CB 0.015 40.820 40.800 0.009 0.000 0.971 1420 D HN 0.620 nan 8.370 nan 0.000 0.453 1421 C N -0.161 119.136 119.300 -0.005 0.000 4.521 1421 C HA -0.089 4.367 4.460 -0.006 0.000 0.317 1421 C C 0.901 175.886 174.990 -0.009 0.000 1.165 1421 C CA -0.355 58.657 59.018 -0.011 0.000 2.281 1421 C CB -2.496 25.230 27.740 -0.024 0.000 1.244 1421 C HN 0.427 nan 8.230 nan 0.000 0.696 1422 R N -0.145 120.353 120.500 -0.004 0.000 2.549 1422 R HA 0.281 4.617 4.340 -0.006 0.000 0.344 1422 R C 0.865 177.158 176.300 -0.011 0.000 0.979 1422 R CA 0.513 56.611 56.100 -0.002 0.000 1.140 1422 R CB 0.941 31.248 30.300 0.013 0.000 1.377 1422 R HN 0.636 nan 8.270 nan 0.000 0.541 1423 G N 0.587 109.379 108.800 -0.014 0.000 2.356 1423 G HA2 0.331 4.287 3.960 -0.006 0.000 0.298 1423 G HA3 0.331 4.287 3.960 -0.006 0.000 0.298 1423 G C 1.130 176.011 174.900 -0.032 0.000 1.145 1423 G CA -0.535 44.550 45.100 -0.024 0.000 0.850 1423 G HN -0.159 nan 8.290 nan 0.000 0.487 1424 V N 2.658 122.544 119.914 -0.047 0.000 2.227 1424 V HA -0.308 3.809 4.120 -0.006 0.000 0.249 1424 V C 3.030 179.104 176.094 -0.034 0.000 1.046 1424 V CA 2.901 65.171 62.300 -0.050 0.000 1.015 1424 V CB -0.902 30.885 31.823 -0.060 0.000 0.648 1424 V HN 0.819 nan 8.190 nan 0.000 0.460 1425 S N -0.142 115.540 115.700 -0.030 0.000 2.455 1425 S HA -0.344 4.123 4.470 -0.006 0.000 0.252 1425 S C 1.560 176.158 174.600 -0.003 0.000 1.075 1425 S CA 2.300 60.492 58.200 -0.014 0.000 1.038 1425 S CB -0.578 62.616 63.200 -0.010 0.000 0.835 1425 S HN 0.861 nan 8.310 nan 0.000 0.482 1426 E N 0.355 120.553 120.200 -0.004 0.000 2.307 1426 E HA 0.149 4.496 4.350 -0.006 0.000 0.195 1426 E C 1.324 177.920 176.600 -0.006 0.000 0.975 1426 E CA 0.010 56.413 56.400 0.004 0.000 0.878 1426 E CB -0.110 29.597 29.700 0.011 0.000 0.845 1426 E HN 0.396 nan 8.360 nan 0.000 0.488 1427 N N 0.938 119.629 118.700 -0.016 0.000 2.463 1427 N HA -0.025 4.711 4.740 -0.006 0.000 0.181 1427 N C 1.702 177.200 175.510 -0.019 0.000 1.078 1427 N CA 0.407 53.445 53.050 -0.021 0.000 0.902 1427 N CB 0.620 39.089 38.487 -0.029 0.000 0.970 1427 N HN 0.006 nan 8.380 nan 0.000 0.451 1428 V N 1.289 121.193 119.914 -0.017 0.000 2.488 1428 V HA -0.042 4.074 4.120 -0.006 0.000 0.246 1428 V C 2.103 178.192 176.094 -0.008 0.000 1.046 1428 V CA 0.842 63.133 62.300 -0.015 0.000 1.053 1428 V CB -0.088 31.727 31.823 -0.015 0.000 0.679 1428 V HN 0.166 nan 8.190 nan 0.000 0.458 1429 I N -0.248 120.320 120.570 -0.004 0.000 2.394 1429 I HA -0.167 4.000 4.170 -0.006 0.000 0.251 1429 I C 1.704 177.818 176.117 -0.005 0.000 1.136 1429 I CA 1.438 62.738 61.300 -0.000 0.000 1.425 1429 I CB -0.150 37.856 38.000 0.009 0.000 1.079 1429 I HN 0.221 nan 8.210 nan 0.000 0.425 1430 L N 0.790 122.007 121.223 -0.010 0.000 2.628 1430 L HA 0.312 4.649 4.340 -0.006 0.000 0.229 1430 L C 0.969 177.831 176.870 -0.013 0.000 1.137 1430 L CA -0.113 54.718 54.840 -0.014 0.000 0.909 1430 L CB -0.725 41.321 42.059 -0.021 0.000 1.137 1430 L HN 0.360 nan 8.230 nan 0.000 0.470 1431 G N 1.774 110.567 108.800 -0.011 0.000 2.290 1431 G HA2 -0.252 3.705 3.960 -0.006 0.000 0.270 1431 G HA3 -0.252 3.705 3.960 -0.006 0.000 0.270 1431 G C -0.125 174.768 174.900 -0.012 0.000 0.891 1431 G CA 0.363 45.457 45.100 -0.010 0.000 1.321 1431 G HN 0.552 nan 8.290 nan 0.000 0.425 1432 Q N -0.082 119.708 119.800 -0.017 0.000 2.683 1432 Q HA 0.617 4.954 4.340 -0.006 0.000 0.302 1432 Q C 0.451 176.435 176.000 -0.026 0.000 1.042 1432 Q CA -1.261 54.531 55.803 -0.019 0.000 0.773 1432 Q CB 1.133 29.858 28.738 -0.021 0.000 1.508 1432 Q HN 0.413 nan 8.270 nan 0.000 0.459 1433 M N 0.948 120.530 119.600 -0.031 0.000 2.245 1433 M HA 0.309 4.786 4.480 -0.006 0.000 0.330 1433 M C -0.485 175.782 176.300 -0.056 0.000 1.098 1433 M CA 0.024 55.297 55.300 -0.045 0.000 1.172 1433 M CB 0.714 33.281 32.600 -0.054 0.000 1.467 1433 M HN 0.759 nan 8.290 nan 0.000 0.454 1434 A N 4.679 127.457 122.820 -0.071 0.000 2.301 1434 A HA 0.533 4.850 4.320 -0.006 0.000 0.312 1434 A C -2.416 175.103 177.584 -0.108 0.000 1.182 1434 A CA -1.574 50.416 52.037 -0.079 0.000 0.826 1434 A CB 0.033 18.987 19.000 -0.077 0.000 1.134 1434 A HN 0.485 nan 8.150 nan 0.000 0.501 1435 P HA 0.252 nan 4.420 nan 0.000 0.252 1435 P C -0.851 176.350 177.300 -0.164 0.000 1.694 1435 P CA 0.846 63.872 63.100 -0.124 0.000 1.163 1435 P CB -0.352 31.301 31.700 -0.078 0.000 1.934 1436 I N -0.519 119.939 120.570 -0.186 0.000 3.108 1436 I HA 0.379 4.546 4.170 -0.006 0.000 0.312 1436 I C 1.881 177.863 176.117 -0.225 0.000 1.095 1436 I CA -0.597 60.592 61.300 -0.184 0.000 1.000 1436 I CB 1.399 39.318 38.000 -0.135 0.000 1.229 1436 I HN 0.183 nan 8.210 nan 0.000 0.454 1437 G N 0.847 109.545 108.800 -0.171 0.000 2.864 1437 G HA2 -0.358 3.599 3.960 -0.006 0.000 0.250 1437 G HA3 -0.358 3.599 3.960 -0.006 0.000 0.250 1437 G C 1.200 175.967 174.900 -0.222 0.000 1.154 1437 G CA 2.206 47.235 45.100 -0.120 0.000 0.755 1437 G HN 0.618 nan 8.290 nan 0.000 0.697 1438 T N 0.758 115.210 114.554 -0.170 0.000 2.929 1438 T HA 0.100 4.446 4.350 -0.006 0.000 0.271 1438 T C 2.041 176.433 174.700 -0.514 0.000 1.085 1438 T CA 1.577 63.546 62.100 -0.218 0.000 1.125 1438 T CB -0.200 68.640 68.868 -0.047 0.000 0.874 1438 T HN 0.549 nan 8.240 nan 0.000 0.494 1439 G N -0.368 108.165 108.800 -0.445 0.000 3.277 1439 G HA2 0.440 4.396 3.960 -0.006 0.000 0.243 1439 G HA3 0.440 4.396 3.960 -0.006 0.000 0.243 1439 G C 1.303 175.952 174.900 -0.419 0.000 1.107 1439 G CA 0.445 45.313 45.100 -0.386 0.000 0.771 1439 G HN 0.464 nan 8.290 nan 0.000 0.544 1440 A N 0.348 122.824 122.820 -0.573 0.000 2.072 1440 A HA 0.513 4.830 4.320 -0.006 0.000 0.216 1440 A C 0.852 178.342 177.584 -0.157 0.000 1.156 1440 A CA 0.272 52.102 52.037 -0.344 0.000 0.701 1440 A CB -0.256 18.536 19.000 -0.346 0.000 0.816 1440 A HN 0.366 nan 8.150 nan 0.000 0.458 1441 F N -1.872 118.150 119.950 0.119 0.000 2.544 1441 F HA 0.792 5.315 4.527 -0.006 0.000 0.378 1441 F C -0.017 175.854 175.800 0.119 0.000 1.112 1441 F CA -1.772 56.364 58.000 0.227 0.000 1.115 1441 F CB 0.188 39.359 39.000 0.285 0.000 1.436 1441 F HN -0.142 nan 8.300 nan 0.000 0.496 1442 D N -0.860 119.770 120.400 0.385 0.000 2.533 1442 D HA 0.602 5.238 4.640 -0.006 0.000 0.247 1442 D C -1.538 174.920 176.300 0.263 0.000 1.056 1442 D CA -0.369 53.764 54.000 0.222 0.000 1.054 1442 D CB 2.843 43.721 40.800 0.130 0.000 1.400 1442 D HN 0.338 nan 8.370 nan 0.000 0.533 1443 V N 2.093 122.109 119.914 0.169 0.000 2.487 1443 V HA 0.537 4.654 4.120 -0.006 0.000 0.298 1443 V C 0.156 176.296 176.094 0.076 0.000 1.028 1443 V CA -0.273 62.107 62.300 0.133 0.000 0.860 1443 V CB 1.545 33.451 31.823 0.138 0.000 0.991 1443 V HN 0.548 nan 8.190 nan 0.000 0.427 1444 M N 3.890 123.523 119.600 0.055 0.000 3.262 1444 M HA 0.658 5.134 4.480 -0.006 0.000 0.297 1444 M C -1.565 174.749 176.300 0.023 0.000 1.356 1444 M CA -0.653 54.669 55.300 0.035 0.000 0.757 1444 M CB 2.191 34.810 32.600 0.031 0.000 1.851 1444 M HN 0.473 nan 8.290 nan 0.000 0.428 1445 I N 0.000 120.580 120.570 0.017 0.000 2.984 1445 I HA 0.000 4.167 4.170 -0.006 0.000 0.288 1445 I CA 0.000 61.307 61.300 0.011 0.000 1.566 1445 I CB 0.000 38.008 38.000 0.013 0.000 1.214 1445 I HN 0.000 nan 8.210 nan 0.000 0.494