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 3m3y_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 3.963 3.960 0.005 0.000 0.244 3 G C 0.000 174.889 174.900 -0.018 0.000 0.946 3 G CA 0.000 45.084 45.100 -0.027 0.000 0.502 4 Q N -0.872 118.922 119.800 -0.011 0.000 3.243 4 Q HA 0.620 4.962 4.340 0.005 0.000 0.257 4 Q C -0.596 175.412 176.000 0.013 0.000 1.069 4 Q CA -0.686 55.117 55.803 0.001 0.000 0.650 4 Q CB 1.022 29.762 28.738 0.004 0.000 3.605 4 Q HN 0.330 nan 8.270 nan 0.000 0.336 5 Q N -0.477 119.342 119.800 0.032 0.000 2.572 5 Q HA 0.354 4.697 4.340 0.005 0.000 0.284 5 Q C -1.505 174.564 176.000 0.114 0.000 1.091 5 Q CA -0.648 55.194 55.803 0.065 0.000 0.840 5 Q CB 1.773 30.550 28.738 0.064 0.000 1.433 5 Q HN 0.486 nan 8.270 nan 0.000 0.471 6 Y N 0.054 120.351 120.300 -0.005 0.000 2.336 6 Y HA 0.214 4.766 4.550 0.004 0.000 0.331 6 Y C -0.310 175.590 175.900 0.001 0.000 1.211 6 Y CA 0.123 58.221 58.100 -0.003 0.000 1.346 6 Y CB 1.144 39.602 38.460 -0.002 0.000 1.271 6 Y HN 0.437 nan 8.280 nan 0.000 0.538 7 S N 2.411 118.439 115.700 0.546 0.000 2.548 7 S HA 0.206 4.678 4.470 0.005 0.000 0.286 7 S C 0.271 175.058 174.600 0.312 0.000 1.098 7 S CA -0.453 57.923 58.200 0.294 0.000 0.930 7 S CB 1.819 65.106 63.200 0.145 0.000 1.070 7 S HN 0.817 nan 8.310 nan 0.000 0.480 8 S N 2.339 118.120 115.700 0.136 0.000 2.436 8 S HA 0.272 4.745 4.470 0.005 0.000 0.228 8 S C 0.916 175.572 174.600 0.093 0.000 1.014 8 S CA 0.642 58.902 58.200 0.100 0.000 0.950 8 S CB -0.558 62.657 63.200 0.025 0.000 0.784 8 S HN 0.955 nan 8.310 nan 0.000 0.504 9 A N 2.623 125.490 122.820 0.078 0.000 2.483 9 A HA 0.503 4.826 4.320 0.005 0.000 0.238 9 A C -2.094 175.523 177.584 0.055 0.000 1.070 9 A CA -0.913 51.158 52.037 0.056 0.000 0.770 9 A CB -0.330 18.697 19.000 0.046 0.000 1.008 9 A HN 0.420 nan 8.150 nan 0.000 0.497 10 P HA 0.492 nan 4.420 nan 0.000 0.280 10 P C -1.029 176.282 177.300 0.018 0.000 1.272 10 P CA -0.683 62.434 63.100 0.028 0.000 0.819 10 P CB 0.574 32.288 31.700 0.024 0.000 1.122 11 L N 1.542 122.770 121.223 0.008 0.000 2.264 11 L HA 0.471 4.814 4.340 0.005 0.000 0.289 11 L C -0.151 176.719 176.870 -0.001 0.000 1.044 11 L CA -0.165 54.675 54.840 0.001 0.000 0.807 11 L CB 0.321 42.375 42.059 -0.009 0.000 1.192 11 L HN 0.224 nan 8.230 nan 0.000 0.425 12 R N 2.100 122.600 120.500 -0.001 0.000 2.562 12 R HA 0.603 4.945 4.340 0.005 0.000 0.298 12 R C -0.559 175.736 176.300 -0.009 0.000 0.961 12 R CA -0.515 55.583 56.100 -0.004 0.000 0.881 12 R CB 1.793 32.092 30.300 -0.003 0.000 1.159 12 R HN 0.654 nan 8.270 nan 0.000 0.450 13 T N 1.411 115.958 114.554 -0.012 0.000 2.926 13 T HA 0.131 4.484 4.350 0.005 0.000 0.307 13 T C 0.170 174.859 174.700 -0.019 0.000 1.059 13 T CA -0.431 61.660 62.100 -0.016 0.000 1.122 13 T CB 0.771 69.629 68.868 -0.017 0.000 0.972 13 T HN 0.131 nan 8.240 nan 0.000 0.545 14 V N 3.696 123.595 119.914 -0.025 0.000 2.686 14 V HA 0.177 4.299 4.120 0.005 0.000 0.295 14 V C 1.005 177.079 176.094 -0.034 0.000 1.055 14 V CA 0.070 62.350 62.300 -0.034 0.000 1.050 14 V CB 1.303 33.101 31.823 -0.042 0.000 0.984 14 V HN 0.815 nan 8.190 nan 0.000 0.482 15 K N 2.441 122.818 120.400 -0.038 0.000 2.462 15 K HA 0.376 4.699 4.320 0.005 0.000 0.201 15 K C 0.084 176.661 176.600 -0.039 0.000 1.268 15 K CA 0.279 56.548 56.287 -0.030 0.000 0.933 15 K CB 1.025 33.514 32.500 -0.018 0.000 1.162 15 K HN 0.709 nan 8.250 nan 0.000 0.527 16 E N 0.451 120.615 120.200 -0.061 0.000 2.343 16 E HA 0.367 4.720 4.350 0.005 0.000 0.278 16 E C -1.478 175.033 176.600 -0.148 0.000 0.910 16 E CA -0.615 55.735 56.400 -0.084 0.000 0.757 16 E CB 3.209 32.871 29.700 -0.062 0.000 1.218 16 E HN -0.280 nan 8.360 nan 0.000 0.435 17 V N 2.752 122.534 119.914 -0.221 0.000 2.378 17 V HA 0.205 4.328 4.120 0.005 0.000 0.288 17 V C -0.542 175.256 176.094 -0.494 0.000 1.016 17 V CA -0.632 61.432 62.300 -0.394 0.000 0.840 17 V CB 1.553 33.073 31.823 -0.505 0.000 0.994 17 V HN 0.561 nan 8.190 nan 0.000 0.431 18 Q N 4.809 124.334 119.800 -0.458 0.000 2.636 18 Q HA 0.414 4.757 4.340 0.005 0.000 0.233 18 Q C -0.497 175.247 176.000 -0.426 0.000 1.143 18 Q CA -0.299 55.270 55.803 -0.389 0.000 0.969 18 Q CB 0.345 28.858 28.738 -0.376 0.000 1.185 18 Q HN 0.610 nan 8.270 nan 0.000 0.546 19 F N -0.168 119.683 119.950 -0.165 0.000 2.535 19 F HA 0.408 4.938 4.527 0.005 0.000 0.332 19 F C 1.610 177.312 175.800 -0.164 0.000 1.208 19 F CA 1.049 58.961 58.000 -0.148 0.000 1.330 19 F CB 0.870 39.830 39.000 -0.066 0.000 1.167 19 F HN 0.515 nan 8.300 nan 0.000 0.597 20 G N 0.563 109.431 108.800 0.113 0.000 2.512 20 G HA2 0.474 4.437 3.960 0.005 0.000 0.186 20 G HA3 0.474 4.437 3.960 0.005 0.000 0.186 20 G C -1.880 173.044 174.900 0.040 0.000 1.189 20 G CA -0.836 44.295 45.100 0.051 0.000 0.994 20 G HN 0.517 nan 8.290 nan 0.000 0.506 21 L N -0.312 120.927 121.223 0.026 0.000 2.469 21 L HA 0.542 4.885 4.340 0.005 0.000 0.256 21 L C -1.306 175.494 176.870 -0.117 0.000 1.006 21 L CA -0.717 54.147 54.840 0.039 0.000 0.832 21 L CB 3.086 45.266 42.059 0.202 0.000 1.421 21 L HN 0.507 nan 8.230 nan 0.000 0.410 22 F N 1.368 121.244 119.950 -0.123 0.000 2.390 22 F HA 0.157 4.686 4.527 0.004 0.000 0.361 22 F C 0.783 176.254 175.800 -0.549 0.000 1.124 22 F CA -0.598 57.239 58.000 -0.273 0.000 1.149 22 F CB 1.437 40.347 39.000 -0.149 0.000 1.160 22 F HN 0.422 nan 8.300 nan 0.000 0.501 23 S N 6.004 121.297 115.700 -0.679 0.000 2.430 23 S HA 0.168 4.640 4.470 0.005 0.000 0.282 23 S C -1.781 172.540 174.600 -0.464 0.000 1.186 23 S CA -1.304 56.153 58.200 -1.239 0.000 1.060 23 S CB 1.075 63.412 63.200 -1.437 0.000 0.966 23 S HN 0.390 nan 8.310 nan 0.000 0.501 24 P HA -0.290 nan 4.420 nan 0.000 0.230 24 P C 1.173 178.394 177.300 -0.132 0.000 1.150 24 P CA 2.134 65.160 63.100 -0.123 0.000 0.933 24 P CB -0.010 31.691 31.700 0.002 0.000 0.785 25 E N -0.741 119.397 120.200 -0.103 0.000 2.038 25 E HA -0.218 4.135 4.350 0.005 0.000 0.195 25 E C 2.176 178.711 176.600 -0.107 0.000 1.000 25 E CA 1.027 57.382 56.400 -0.075 0.000 0.803 25 E CB -0.594 29.101 29.700 -0.009 0.000 0.750 25 E HN 0.420 nan 8.360 nan 0.000 0.448 26 E N 0.858 120.986 120.200 -0.119 0.000 2.208 26 E HA -0.133 4.220 4.350 0.005 0.000 0.193 26 E C 2.128 178.658 176.600 -0.117 0.000 0.988 26 E CA 0.605 56.966 56.400 -0.065 0.000 0.828 26 E CB 0.261 29.960 29.700 -0.003 0.000 0.763 26 E HN 0.081 nan 8.360 nan 0.000 0.478 27 V N 2.024 121.789 119.914 -0.248 0.000 2.295 27 V HA -0.278 3.845 4.120 0.005 0.000 0.246 27 V C 2.434 178.340 176.094 -0.313 0.000 1.049 27 V CA 2.394 64.430 62.300 -0.440 0.000 1.024 27 V CB -0.653 30.899 31.823 -0.451 0.000 0.648 27 V HN 0.368 nan 8.190 nan 0.000 0.447 28 R N 1.034 121.332 120.500 -0.336 0.000 2.297 28 R HA 0.275 4.618 4.340 0.005 0.000 0.197 28 R C 1.770 177.918 176.300 -0.253 0.000 0.943 28 R CA 0.952 56.753 56.100 -0.497 0.000 1.038 28 R CB -0.306 29.585 30.300 -0.681 0.000 0.957 28 R HN 0.376 nan 8.270 nan 0.000 0.484 29 A N 0.561 123.292 122.820 -0.148 0.000 2.238 29 A HA 0.225 4.547 4.320 0.005 0.000 0.210 29 A C 1.681 179.244 177.584 -0.035 0.000 1.179 29 A CA 0.220 52.214 52.037 -0.071 0.000 0.827 29 A CB 0.025 19.000 19.000 -0.042 0.000 0.856 29 A HN 0.353 nan 8.150 nan 0.000 0.488 30 I N -1.793 118.751 120.570 -0.043 0.000 4.032 30 I HA 0.082 4.255 4.170 0.005 0.000 0.313 30 I C 1.189 177.332 176.117 0.044 0.000 1.272 30 I CA 0.288 61.593 61.300 0.008 0.000 1.307 30 I CB 0.533 38.544 38.000 0.019 0.000 1.155 30 I HN 0.234 nan 8.210 nan 0.000 0.431 31 S N 0.105 115.831 115.700 0.043 0.000 2.576 31 S HA 0.046 4.519 4.470 0.005 0.000 0.272 31 S C 1.057 175.732 174.600 0.126 0.000 1.352 31 S CA 0.261 58.550 58.200 0.148 0.000 1.021 31 S CB 1.210 64.607 63.200 0.329 0.000 0.887 31 S HN 0.230 nan 8.310 nan 0.000 0.542 32 V N 0.802 120.789 119.914 0.122 0.000 3.477 32 V HA 0.769 4.891 4.120 0.005 0.000 0.297 32 V C 0.263 176.389 176.094 0.053 0.000 1.433 32 V CA 0.463 62.800 62.300 0.061 0.000 1.052 32 V CB -0.682 31.149 31.823 0.013 0.000 0.895 32 V HN 1.004 nan 8.190 nan 0.000 0.438 33 A N 0.762 123.623 122.820 0.069 0.000 2.610 33 A HA 0.639 4.962 4.320 0.005 0.000 0.291 33 A C 0.625 178.165 177.584 -0.074 0.000 1.086 33 A CA -0.112 51.933 52.037 0.013 0.000 0.677 33 A CB 1.358 20.352 19.000 -0.009 0.000 1.278 33 A HN 0.160 nan 8.150 nan 0.000 0.414 34 K N 0.583 120.919 120.400 -0.105 0.000 1.980 34 K HA 0.138 4.461 4.320 0.005 0.000 0.208 34 K C 0.063 176.501 176.600 -0.270 0.000 1.043 34 K CA 1.511 57.664 56.287 -0.223 0.000 0.938 34 K CB -0.262 32.200 32.500 -0.064 0.000 0.724 34 K HN 1.083 nan 8.250 nan 0.000 0.438 35 I N 1.865 122.366 120.570 -0.115 0.000 6.164 35 I HA -0.181 3.992 4.170 0.005 0.000 0.126 35 I C 0.496 176.613 176.117 0.001 0.000 1.822 35 I CA 0.305 61.569 61.300 -0.059 0.000 2.037 35 I CB -1.907 36.039 38.000 -0.089 0.000 3.447 35 I HN 0.389 nan 8.210 nan 0.000 0.169 36 R N 0.918 121.476 120.500 0.098 0.000 2.105 36 R HA 0.221 4.563 4.340 0.005 0.000 0.214 36 R C 0.553 176.981 176.300 0.214 0.000 1.091 36 R CA 0.977 57.178 56.100 0.169 0.000 1.007 36 R CB 0.260 30.728 30.300 0.279 0.000 0.912 36 R HN 0.197 nan 8.270 nan 0.000 0.450 37 F N 1.171 121.104 119.950 -0.027 0.000 2.377 37 F HA 0.222 4.752 4.527 0.005 0.000 0.328 37 F C -1.297 174.491 175.800 -0.019 0.000 1.094 37 F CA -2.739 55.250 58.000 -0.018 0.000 1.093 37 F CB 0.785 39.776 39.000 -0.014 0.000 1.214 37 F HN -0.127 nan 8.300 nan 0.000 0.518 38 P HA 0.015 nan 4.420 nan 0.000 0.218 38 P C -0.215 177.133 177.300 0.081 0.000 1.151 38 P CA 0.715 63.849 63.100 0.058 0.000 0.850 38 P CB 0.291 31.994 31.700 0.004 0.000 0.801 39 E N -0.328 119.935 120.200 0.104 0.000 2.428 39 E HA 0.069 4.421 4.350 0.005 0.000 0.257 39 E C 1.314 177.964 176.600 0.084 0.000 1.197 39 E CA 0.703 57.159 56.400 0.092 0.000 0.974 39 E CB -0.273 29.483 29.700 0.094 0.000 0.976 39 E HN 0.006 nan 8.360 nan 0.000 0.463 40 T N -0.239 114.356 114.554 0.068 0.000 2.953 40 T HA 0.113 4.466 4.350 0.005 0.000 0.247 40 T C 1.065 175.777 174.700 0.021 0.000 1.029 40 T CA 0.956 63.083 62.100 0.044 0.000 1.144 40 T CB 0.128 69.024 68.868 0.046 0.000 0.870 40 T HN 0.321 nan 8.240 nan 0.000 0.446 41 M N -0.324 119.289 119.600 0.021 0.000 2.485 41 M HA 0.272 4.755 4.480 0.005 0.000 0.193 41 M C -0.989 175.314 176.300 0.005 0.000 2.165 41 M CA -0.552 54.749 55.300 0.002 0.000 1.310 41 M CB 0.129 32.726 32.600 -0.004 0.000 1.536 41 M HN -0.217 nan 8.290 nan 0.000 0.657 42 D N 4.146 124.551 120.400 0.008 0.000 2.658 42 D HA -0.005 4.637 4.640 0.005 0.000 0.230 42 D C -0.394 175.916 176.300 0.015 0.000 1.118 42 D CA 0.813 54.817 54.000 0.007 0.000 0.848 42 D CB 0.252 41.057 40.800 0.009 0.000 1.160 42 D HN 0.232 nan 8.370 nan 0.000 0.497 43 E N 1.231 121.435 120.200 0.006 0.000 2.183 43 E HA 0.213 4.565 4.350 0.005 0.000 0.250 43 E C -0.456 176.151 176.600 0.011 0.000 0.901 43 E CA -0.884 55.524 56.400 0.014 0.000 0.741 43 E CB 0.433 30.130 29.700 -0.005 0.000 1.182 43 E HN 0.267 nan 8.360 nan 0.000 0.425 44 T N 3.117 117.682 114.554 0.018 0.000 4.194 44 T HA -0.247 4.106 4.350 0.005 0.000 0.339 44 T C 0.387 175.091 174.700 0.007 0.000 0.757 44 T CA 1.287 63.395 62.100 0.013 0.000 1.931 44 T CB -1.682 67.192 68.868 0.010 0.000 1.886 44 T HN 0.752 nan 8.240 nan 0.000 0.878 45 Q N -2.648 117.157 119.800 0.007 0.000 2.324 45 Q HA -0.161 4.182 4.340 0.005 0.000 0.200 45 Q C 0.037 176.035 176.000 -0.003 0.000 0.645 45 Q CA 1.399 57.204 55.803 0.003 0.000 1.377 45 Q CB -2.112 26.628 28.738 0.002 0.000 1.486 45 Q HN 0.704 nan 8.270 nan 0.000 0.796 46 T N 1.632 116.183 114.554 -0.005 0.000 2.793 46 T HA 0.141 4.494 4.350 0.005 0.000 0.289 46 T C 0.279 174.970 174.700 -0.014 0.000 0.956 46 T CA -0.240 61.853 62.100 -0.011 0.000 1.177 46 T CB 0.433 69.292 68.868 -0.015 0.000 0.897 46 T HN 0.140 nan 8.240 nan 0.000 0.533 47 R N 3.017 123.508 120.500 -0.016 0.000 2.543 47 R HA 0.361 4.703 4.340 0.005 0.000 0.348 47 R C 0.091 176.378 176.300 -0.022 0.000 0.981 47 R CA 0.416 56.504 56.100 -0.019 0.000 1.019 47 R CB -1.071 29.217 30.300 -0.021 0.000 0.944 47 R HN 0.808 nan 8.270 nan 0.000 0.425 48 A N 3.586 126.392 122.820 -0.024 0.000 5.519 48 A HA 0.468 4.791 4.320 0.005 0.000 0.158 48 A C -0.652 176.913 177.584 -0.031 0.000 0.860 48 A CA 0.100 52.120 52.037 -0.029 0.000 1.134 48 A CB 0.473 19.453 19.000 -0.034 0.000 2.248 48 A HN 0.532 nan 8.150 nan 0.000 1.056 49 K N -0.978 119.399 120.400 -0.040 0.000 2.503 49 K HA 0.350 4.673 4.320 0.005 0.000 0.153 49 K C 0.085 176.647 176.600 -0.062 0.000 1.954 49 K CA 0.446 56.708 56.287 -0.042 0.000 1.268 49 K CB 0.295 32.771 32.500 -0.040 0.000 2.075 49 K HN 0.951 nan 8.250 nan 0.000 0.552 50 I N 1.924 122.437 120.570 -0.094 0.000 9.017 50 I HA -0.270 3.903 4.170 0.005 0.000 0.126 50 I C 1.102 177.119 176.117 -0.168 0.000 1.835 50 I CA 0.906 62.104 61.300 -0.169 0.000 2.084 50 I CB -0.002 37.852 38.000 -0.243 0.000 3.884 50 I HN 0.608 nan 8.210 nan 0.000 0.183 51 G N 4.785 113.456 108.800 -0.214 0.000 2.687 51 G HA2 0.081 4.044 3.960 0.005 0.000 0.209 51 G HA3 0.081 4.044 3.960 0.005 0.000 0.209 51 G C 1.095 175.910 174.900 -0.141 0.000 1.146 51 G CA 0.743 45.745 45.100 -0.162 0.000 0.787 51 G HN 1.060 nan 8.290 nan 0.000 0.532 52 G N 0.029 108.733 108.800 -0.161 0.000 2.670 52 G HA2 0.281 4.243 3.960 0.005 0.000 0.215 52 G HA3 0.281 4.243 3.960 0.005 0.000 0.215 52 G C 0.593 175.518 174.900 0.042 0.000 1.359 52 G CA 0.243 45.353 45.100 0.017 0.000 0.897 52 G HN 0.396 nan 8.290 nan 0.000 0.552 53 L N 0.005 121.248 121.223 0.033 0.000 2.391 53 L HA 0.338 4.681 4.340 0.005 0.000 0.266 53 L C 0.149 177.014 176.870 -0.009 0.000 1.035 53 L CA -1.029 53.820 54.840 0.014 0.000 0.877 53 L CB 1.057 43.134 42.059 0.031 0.000 1.504 53 L HN 0.536 nan 8.230 nan 0.000 0.503 54 N N 1.370 120.061 118.700 -0.015 0.000 1.676 54 N HA -0.255 4.487 4.740 0.005 0.000 0.320 54 N C -0.490 175.003 175.510 -0.029 0.000 1.302 54 N CA 1.586 54.619 53.050 -0.028 0.000 0.862 54 N CB -0.029 38.437 38.487 -0.035 0.000 1.159 54 N HN 0.889 nan 8.380 nan 0.000 0.496 55 D N 0.823 121.207 120.400 -0.028 0.000 2.465 55 D HA -0.036 4.607 4.640 0.005 0.000 0.757 55 D C -2.572 173.718 176.300 -0.015 0.000 0.335 55 D CA -0.312 53.674 54.000 -0.023 0.000 1.248 55 D CB -1.106 39.677 40.800 -0.028 0.000 1.129 55 D HN 0.404 nan 8.370 nan 0.000 0.330 56 P HA 0.031 nan 4.420 nan 0.000 0.252 56 P C -0.303 176.997 177.300 0.001 0.000 1.147 56 P CA 0.981 64.067 63.100 -0.022 0.000 0.779 56 P CB -0.016 31.664 31.700 -0.033 0.000 0.733 57 R N 1.479 121.984 120.500 0.009 0.000 3.891 57 R HA -0.212 4.131 4.340 0.005 0.000 0.297 57 R C 0.752 177.116 176.300 0.107 0.000 1.226 57 R CA 0.702 56.821 56.100 0.032 0.000 0.848 57 R CB -2.326 27.971 30.300 -0.005 0.000 1.224 57 R HN 0.480 nan 8.270 nan 0.000 0.530 58 L N -0.419 120.862 121.223 0.096 0.000 2.592 58 L HA 0.235 4.577 4.340 0.005 0.000 0.227 58 L C 0.990 177.895 176.870 0.058 0.000 1.127 58 L CA 0.429 55.344 54.840 0.126 0.000 0.884 58 L CB 0.546 42.613 42.059 0.012 0.000 1.065 58 L HN 0.427 nan 8.230 nan 0.000 0.457 59 G N 0.937 109.776 108.800 0.066 0.000 2.662 59 G HA2 -0.162 3.800 3.960 0.005 0.000 0.558 59 G HA3 -0.162 3.800 3.960 0.005 0.000 0.558 59 G C 0.086 174.975 174.900 -0.018 0.000 1.081 59 G CA -0.181 44.921 45.100 0.003 0.000 1.261 59 G HN 0.263 nan 8.290 nan 0.000 0.559 60 S N 0.390 116.087 115.700 -0.005 0.000 2.550 60 S HA 0.330 4.803 4.470 0.005 0.000 0.285 60 S C 1.134 175.717 174.600 -0.028 0.000 1.326 60 S CA 0.513 58.703 58.200 -0.017 0.000 1.037 60 S CB 0.551 63.743 63.200 -0.013 0.000 0.838 60 S HN 1.657 nan 8.310 nan 0.000 0.519 61 I N -1.607 118.944 120.570 -0.032 0.000 3.207 61 I HA 0.534 4.707 4.170 0.005 0.000 0.343 61 I C -0.123 175.972 176.117 -0.036 0.000 1.378 61 I CA -0.297 60.980 61.300 -0.038 0.000 1.004 61 I CB -0.288 37.685 38.000 -0.044 0.000 1.836 61 I HN 0.617 nan 8.210 nan 0.000 0.513 62 D N 1.695 122.076 120.400 -0.031 0.000 3.007 62 D HA 0.251 4.894 4.640 0.005 0.000 0.363 62 D C -0.023 176.261 176.300 -0.027 0.000 1.474 62 D CA -0.459 53.523 54.000 -0.030 0.000 0.767 62 D CB 0.375 41.157 40.800 -0.029 0.000 1.227 62 D HN 0.217 nan 8.370 nan 0.000 0.471 63 R N -0.044 120.440 120.500 -0.027 0.000 3.225 63 R HA -0.228 4.114 4.340 0.005 0.000 0.245 63 R C -0.830 175.459 176.300 -0.019 0.000 0.928 63 R CA 0.316 56.402 56.100 -0.023 0.000 0.632 63 R CB -2.105 28.181 30.300 -0.023 0.000 1.038 63 R HN 0.166 nan 8.270 nan 0.000 0.461 64 N N 0.772 119.462 118.700 -0.017 0.000 2.564 64 N HA 0.225 4.968 4.740 0.005 0.000 0.248 64 N C -0.498 175.006 175.510 -0.009 0.000 0.986 64 N CA -0.856 52.185 53.050 -0.014 0.000 0.921 64 N CB 0.970 39.448 38.487 -0.015 0.000 1.136 64 N HN 0.198 nan 8.380 nan 0.000 0.509 65 L N 1.451 122.669 121.223 -0.008 0.000 3.515 65 L HA 0.106 4.449 4.340 0.005 0.000 0.248 65 L C -0.145 176.725 176.870 -0.000 0.000 1.499 65 L CA 0.794 55.632 54.840 -0.004 0.000 1.101 65 L CB -1.110 40.946 42.059 -0.005 0.000 1.434 65 L HN 0.331 nan 8.230 nan 0.000 0.451 66 K N 0.086 120.488 120.400 0.003 0.000 3.302 66 K HA 0.132 4.455 4.320 0.005 0.000 0.186 66 K C -1.044 175.565 176.600 0.015 0.000 1.232 66 K CA -0.343 55.947 56.287 0.006 0.000 0.756 66 K CB 0.357 32.856 32.500 -0.001 0.000 1.076 66 K HN 0.384 nan 8.250 nan 0.000 0.544 67 c N 3.335 121.955 118.600 0.032 0.000 2.428 67 c HA 0.089 4.662 4.570 0.005 0.000 0.362 67 c C 0.815 174.946 174.090 0.068 0.000 1.114 67 c CA 0.429 56.799 56.329 0.068 0.000 1.473 67 c CB -1.898 40.676 42.510 0.107 0.000 2.003 67 c HN 0.921 nan 8.230 nan 0.000 0.526 68 Q N 3.616 123.439 119.800 0.038 0.000 2.453 68 Q HA -0.231 4.111 4.340 0.005 0.000 0.330 68 Q C 0.491 176.487 176.000 -0.005 0.000 1.417 68 Q CA 1.147 56.957 55.803 0.011 0.000 0.902 68 Q CB -2.652 26.086 28.738 0.000 0.000 1.154 68 Q HN 1.273 nan 8.270 nan 0.000 0.395 69 T N -3.792 110.761 114.554 -0.002 0.000 10.235 69 T HA -0.459 3.894 4.350 0.005 0.000 0.395 69 T C 1.477 176.177 174.700 -0.001 0.000 1.613 69 T CA 2.053 64.150 62.100 -0.005 0.000 2.565 69 T CB -2.730 66.131 68.868 -0.012 0.000 2.818 69 T HN 1.432 nan 8.240 nan 0.000 1.101 70 C N 2.181 121.483 119.300 0.004 0.000 2.460 70 C HA 0.176 4.639 4.460 0.005 0.000 0.291 70 C C 1.988 176.993 174.990 0.025 0.000 1.493 70 C CA 1.180 60.206 59.018 0.013 0.000 1.748 70 C CB -1.593 26.161 27.740 0.022 0.000 1.656 70 C HN 0.731 nan 8.230 nan 0.000 0.576 71 Q N -0.515 119.297 119.800 0.019 0.000 1.942 71 Q HA -0.252 4.090 4.340 0.005 0.000 0.173 71 Q C 0.147 176.161 176.000 0.022 0.000 2.935 71 Q CA 2.467 58.279 55.803 0.015 0.000 0.188 71 Q CB -1.329 27.414 28.738 0.008 0.000 0.219 71 Q HN 0.708 nan 8.270 nan 0.000 0.363 72 E N 1.947 122.164 120.200 0.029 0.000 2.562 72 E HA 0.235 4.587 4.350 0.005 0.000 0.241 72 E C 1.077 177.688 176.600 0.018 0.000 1.136 72 E CA 1.286 57.701 56.400 0.025 0.000 0.952 72 E CB -0.776 28.943 29.700 0.031 0.000 0.975 72 E HN 0.498 nan 8.360 nan 0.000 0.494 73 G N 3.953 112.758 108.800 0.008 0.000 2.522 73 G HA2 -0.326 3.637 3.960 0.005 0.000 0.436 73 G HA3 -0.326 3.637 3.960 0.005 0.000 0.436 73 G C 0.710 175.607 174.900 -0.004 0.000 1.353 73 G CA 1.210 46.309 45.100 -0.000 0.000 0.917 73 G HN 0.660 nan 8.290 nan 0.000 0.527 74 M N -1.895 117.696 119.600 -0.014 0.000 2.289 74 M HA 0.413 4.896 4.480 0.005 0.000 0.335 74 M C 1.355 177.638 176.300 -0.029 0.000 0.961 74 M CA 0.833 56.119 55.300 -0.024 0.000 1.018 74 M CB 0.589 33.173 32.600 -0.027 0.000 1.678 74 M HN 0.410 nan 8.290 nan 0.000 0.589 75 N N 1.508 120.195 118.700 -0.021 0.000 2.409 75 N HA -0.124 4.619 4.740 0.005 0.000 0.179 75 N C 1.346 176.845 175.510 -0.019 0.000 1.032 75 N CA 1.598 54.636 53.050 -0.020 0.000 0.898 75 N CB 0.412 38.889 38.487 -0.016 0.000 0.971 75 N HN 0.664 nan 8.380 nan 0.000 0.441 76 E N -0.454 119.737 120.200 -0.014 0.000 2.364 76 E HA 0.089 4.442 4.350 0.005 0.000 0.203 76 E C 0.041 176.634 176.600 -0.012 0.000 0.888 76 E CA -0.176 56.221 56.400 -0.006 0.000 0.989 76 E CB 0.017 29.722 29.700 0.008 0.000 0.985 76 E HN 0.174 nan 8.360 nan 0.000 0.499 77 c N 4.288 122.874 118.600 -0.024 0.000 2.667 77 c HA 0.198 4.770 4.570 0.005 0.000 0.392 77 c C -1.183 172.814 174.090 -0.155 0.000 1.332 77 c CA -1.375 54.913 56.329 -0.067 0.000 1.594 77 c CB 0.157 42.632 42.510 -0.059 0.000 2.345 77 c HN 0.355 nan 8.230 nan 0.000 0.594 78 P HA 0.119 nan 4.420 nan 0.000 0.236 78 P C 0.668 177.842 177.300 -0.212 0.000 1.172 78 P CA 1.411 64.436 63.100 -0.125 0.000 0.759 78 P CB -0.444 31.227 31.700 -0.047 0.000 0.843 79 G N 1.415 109.963 108.800 -0.419 0.000 3.138 79 G HA2 -0.146 3.817 3.960 0.005 0.000 0.685 79 G HA3 -0.146 3.817 3.960 0.005 0.000 0.685 79 G C -0.677 173.952 174.900 -0.453 0.000 0.995 79 G CA -0.628 44.191 45.100 -0.468 0.000 0.849 79 G HN 0.574 nan 8.290 nan 0.000 0.537 80 H N 1.153 120.216 119.070 -0.012 0.000 2.622 80 H HA 0.659 5.218 4.556 0.005 0.000 0.363 80 H C -0.116 175.233 175.328 0.035 0.000 1.151 80 H CA -1.039 55.048 56.048 0.065 0.000 1.184 80 H CB 1.412 31.222 29.762 0.080 0.000 1.643 80 H HN 0.335 nan 8.280 nan 0.000 0.531 81 F N 0.674 120.719 119.950 0.158 0.000 2.440 81 F HA 0.378 4.908 4.527 0.005 0.000 0.323 81 F C 1.281 177.126 175.800 0.075 0.000 1.192 81 F CA 1.009 59.063 58.000 0.090 0.000 1.252 81 F CB 0.991 40.028 39.000 0.062 0.000 1.214 81 F HN 0.701 nan 8.300 nan 0.000 0.578 82 G N -0.528 108.423 108.800 0.251 0.000 2.730 82 G HA2 0.592 4.555 3.960 0.005 0.000 0.289 82 G HA3 0.592 4.555 3.960 0.005 0.000 0.289 82 G C -2.046 172.977 174.900 0.205 0.000 1.341 82 G CA -0.674 44.523 45.100 0.163 0.000 0.932 82 G HN 0.840 nan 8.290 nan 0.000 0.481 83 H N -1.856 117.240 119.070 0.044 0.000 2.907 83 H HA 0.828 5.386 4.556 0.005 0.000 0.361 83 H C -1.417 173.915 175.328 0.006 0.000 1.194 83 H CA -1.184 54.870 56.048 0.009 0.000 1.152 83 H CB 2.341 32.084 29.762 -0.032 0.000 1.867 83 H HN 0.593 nan 8.280 nan 0.000 0.561 84 I N 1.233 121.800 120.570 -0.005 0.000 2.722 84 I HA 0.187 4.360 4.170 0.005 0.000 0.292 84 I C -1.480 174.676 176.117 0.064 0.000 1.267 84 I CA -0.825 60.437 61.300 -0.064 0.000 1.036 84 I CB 2.171 40.131 38.000 -0.066 0.000 1.281 84 I HN 0.750 nan 8.210 nan 0.000 0.423 85 D N 8.488 128.926 120.400 0.062 0.000 2.396 85 D HA 0.360 5.002 4.640 0.005 0.000 0.225 85 D C -0.169 176.160 176.300 0.049 0.000 1.121 85 D CA -0.133 53.920 54.000 0.089 0.000 0.853 85 D CB 1.363 42.229 40.800 0.110 0.000 1.043 85 D HN 0.350 nan 8.370 nan 0.000 0.500 86 L N 1.410 122.661 121.223 0.046 0.000 2.456 86 L HA 0.228 4.571 4.340 0.005 0.000 0.272 86 L C 1.657 178.545 176.870 0.030 0.000 1.189 86 L CA -0.574 54.285 54.840 0.032 0.000 0.846 86 L CB 0.526 42.606 42.059 0.036 0.000 1.111 86 L HN 0.314 nan 8.230 nan 0.000 0.475 87 A N 3.746 126.577 122.820 0.018 0.000 1.824 87 A HA 0.038 4.361 4.320 0.005 0.000 0.215 87 A C 0.781 178.368 177.584 0.005 0.000 1.244 87 A CA 0.819 52.863 52.037 0.011 0.000 0.604 87 A CB -0.116 18.879 19.000 -0.008 0.000 0.900 87 A HN 0.636 nan 8.150 nan 0.000 0.455 88 K N 1.506 121.902 120.400 -0.006 0.000 2.312 88 K HA 0.300 4.623 4.320 0.005 0.000 0.287 88 K C -2.690 173.902 176.600 -0.013 0.000 1.062 88 K CA -2.253 54.025 56.287 -0.015 0.000 0.934 88 K CB 0.291 32.775 32.500 -0.027 0.000 1.027 88 K HN 0.236 nan 8.250 nan 0.000 0.478 89 P HA -0.073 nan 4.420 nan 0.000 0.261 89 P C -0.106 177.157 177.300 -0.061 0.000 1.183 89 P CA 0.026 63.120 63.100 -0.009 0.000 0.761 89 P CB 0.277 31.976 31.700 -0.001 0.000 0.785 90 V N 1.249 121.150 119.914 -0.022 0.000 2.919 90 V HA 0.521 4.644 4.120 0.005 0.000 0.316 90 V C 0.299 176.423 176.094 0.049 0.000 1.077 90 V CA -1.143 61.135 62.300 -0.037 0.000 0.977 90 V CB 0.929 32.778 31.823 0.043 0.000 1.039 90 V HN 0.117 nan 8.190 nan 0.000 0.441 91 F N 0.974 121.004 119.950 0.132 0.000 2.480 91 F HA 0.387 4.916 4.527 0.005 0.000 0.319 91 F C 0.598 176.509 175.800 0.185 0.000 1.230 91 F CA 0.202 58.301 58.000 0.166 0.000 1.285 91 F CB 0.017 39.104 39.000 0.144 0.000 1.208 91 F HN 0.840 nan 8.300 nan 0.000 0.579 92 H N 0.411 119.692 119.070 0.353 0.000 2.887 92 H HA 0.378 4.937 4.556 0.005 0.000 0.300 92 H C 0.547 175.869 175.328 -0.011 0.000 1.038 92 H CA -0.653 55.489 56.048 0.157 0.000 1.352 92 H CB 0.800 30.689 29.762 0.212 0.000 1.473 92 H HN 0.368 nan 8.280 nan 0.000 0.503 93 V N 3.088 122.998 119.914 -0.006 0.000 2.311 93 V HA -0.324 3.799 4.120 0.005 0.000 0.256 93 V C 2.383 178.431 176.094 -0.078 0.000 1.077 93 V CA 2.232 64.515 62.300 -0.028 0.000 1.067 93 V CB -1.005 30.786 31.823 -0.053 0.000 0.659 93 V HN 0.903 nan 8.190 nan 0.000 0.451 94 G N -1.902 106.749 108.800 -0.248 0.000 2.679 94 G HA2 -0.013 3.950 3.960 0.005 0.000 0.212 94 G HA3 -0.013 3.950 3.960 0.005 0.000 0.212 94 G C 1.176 175.757 174.900 -0.532 0.000 1.137 94 G CA 0.267 45.068 45.100 -0.500 0.000 0.787 94 G HN 0.590 nan 8.290 nan 0.000 0.534 95 F N -0.352 119.537 119.950 -0.102 0.000 2.706 95 F HA 0.286 4.815 4.527 0.005 0.000 0.308 95 F C 2.032 177.786 175.800 -0.078 0.000 1.095 95 F CA -0.881 57.047 58.000 -0.120 0.000 1.244 95 F CB 0.438 39.340 39.000 -0.163 0.000 1.063 95 F HN -0.058 nan 8.300 nan 0.000 0.582 96 I N 1.202 121.795 120.570 0.039 0.000 2.087 96 I HA -0.396 3.777 4.170 0.005 0.000 0.240 96 I C 2.829 178.923 176.117 -0.038 0.000 1.054 96 I CA 1.771 63.002 61.300 -0.115 0.000 1.311 96 I CB -1.676 36.213 38.000 -0.184 0.000 1.024 96 I HN 0.148 nan 8.210 nan 0.000 0.402 97 A N 0.871 123.680 122.820 -0.017 0.000 1.887 97 A HA -0.341 3.982 4.320 0.005 0.000 0.225 97 A C 2.440 180.018 177.584 -0.010 0.000 1.464 97 A CA 2.883 54.908 52.037 -0.020 0.000 0.717 97 A CB -0.947 18.041 19.000 -0.020 0.000 0.848 97 A HN 0.435 nan 8.150 nan 0.000 0.477 98 K N -1.175 119.244 120.400 0.032 0.000 2.007 98 K HA 0.015 4.338 4.320 0.005 0.000 0.206 98 K C 2.059 178.742 176.600 0.137 0.000 1.047 98 K CA 1.240 57.548 56.287 0.034 0.000 0.937 98 K CB -0.413 32.061 32.500 -0.044 0.000 0.718 98 K HN 0.571 nan 8.250 nan 0.000 0.438 99 I N 1.828 122.486 120.570 0.146 0.000 2.103 99 I HA -0.406 3.766 4.170 0.005 0.000 0.241 99 I C 2.640 178.946 176.117 0.315 0.000 1.036 99 I CA 1.555 63.009 61.300 0.257 0.000 1.300 99 I CB -0.346 37.820 38.000 0.278 0.000 1.010 99 I HN 0.192 nan 8.210 nan 0.000 0.406 100 K N 1.321 121.822 120.400 0.168 0.000 2.209 100 K HA -0.182 4.141 4.320 0.005 0.000 0.204 100 K C 1.935 178.665 176.600 0.217 0.000 1.048 100 K CA 1.425 57.804 56.287 0.153 0.000 0.940 100 K CB -0.026 32.509 32.500 0.058 0.000 0.729 100 K HN 0.344 nan 8.250 nan 0.000 0.451 101 K N 0.247 120.761 120.400 0.189 0.000 2.155 101 K HA -0.033 4.290 4.320 0.005 0.000 0.203 101 K C 1.833 178.669 176.600 0.392 0.000 1.052 101 K CA 0.983 57.393 56.287 0.205 0.000 0.948 101 K CB 0.220 32.643 32.500 -0.127 0.000 0.728 101 K HN -0.018 nan 8.250 nan 0.000 0.448 102 V N 0.207 120.376 119.914 0.424 0.000 3.406 102 V HA -0.092 4.031 4.120 0.005 0.000 0.263 102 V C 1.246 177.612 176.094 0.453 0.000 1.172 102 V CA 0.705 63.297 62.300 0.486 0.000 1.140 102 V CB 0.009 32.140 31.823 0.513 0.000 0.784 102 V HN 0.259 nan 8.190 nan 0.000 0.467 103 C N 1.011 120.526 119.300 0.359 0.000 2.293 103 C HA 0.323 4.786 4.460 0.005 0.000 0.380 103 C C 1.476 176.556 174.990 0.150 0.000 1.343 103 C CA 0.080 59.195 59.018 0.162 0.000 1.754 103 C CB -1.958 25.830 27.740 0.080 0.000 2.265 103 C HN 0.619 nan 8.230 nan 0.000 0.579 104 E N -2.757 117.563 120.200 0.201 0.000 2.629 104 E HA 0.031 4.384 4.350 0.005 0.000 0.203 104 E C 1.205 177.869 176.600 0.106 0.000 0.939 104 E CA 0.114 56.608 56.400 0.156 0.000 1.439 104 E CB 0.198 30.079 29.700 0.302 0.000 1.490 104 E HN 0.550 nan 8.360 nan 0.000 0.804 105 C N 0.744 120.142 119.300 0.163 0.000 2.525 105 C HA 0.284 4.747 4.460 0.005 0.000 0.291 105 C C 1.117 176.152 174.990 0.076 0.000 1.351 105 C CA -0.073 59.001 59.018 0.093 0.000 1.771 105 C CB 0.407 28.201 27.740 0.091 0.000 2.177 105 C HN 0.020 nan 8.230 nan 0.000 0.510 106 V N 0.048 120.026 119.914 0.108 0.000 2.834 106 V HA 0.350 4.473 4.120 0.005 0.000 0.313 106 V C -0.133 175.990 176.094 0.048 0.000 1.060 106 V CA -0.535 61.814 62.300 0.081 0.000 0.989 106 V CB 1.611 33.506 31.823 0.120 0.000 1.041 106 V HN 0.488 nan 8.190 nan 0.000 0.459 107 C N 6.398 125.724 119.300 0.042 0.000 2.350 107 C HA 0.542 5.005 4.460 0.005 0.000 0.348 107 C C 0.222 175.253 174.990 0.068 0.000 1.260 107 C CA -1.179 57.869 59.018 0.049 0.000 1.966 107 C CB 0.276 28.044 27.740 0.047 0.000 2.380 107 C HN 0.786 nan 8.230 nan 0.000 0.535 108 M N 6.874 126.532 119.600 0.096 0.000 2.217 108 M HA 0.295 4.778 4.480 0.005 0.000 0.352 108 M C 0.628 177.098 176.300 0.283 0.000 1.376 108 M CA 0.985 56.374 55.300 0.148 0.000 1.107 108 M CB -0.775 31.943 32.600 0.197 0.000 1.723 108 M HN 0.984 nan 8.290 nan 0.000 0.461 109 H N 0.979 120.075 119.070 0.043 0.000 2.840 109 H HA -0.183 4.376 4.556 0.005 0.000 0.115 109 H C 1.274 176.634 175.328 0.054 0.000 0.727 109 H CA 0.936 57.010 56.048 0.042 0.000 0.564 109 H CB -0.697 29.086 29.762 0.035 0.000 0.414 109 H HN 0.833 nan 8.280 nan 0.000 0.435 110 C N 2.980 122.385 119.300 0.176 0.000 2.448 110 C HA 0.483 4.945 4.460 0.005 0.000 0.280 110 C C 1.447 176.483 174.990 0.076 0.000 1.398 110 C CA 1.187 60.256 59.018 0.086 0.000 1.774 110 C CB -0.817 26.951 27.740 0.047 0.000 1.888 110 C HN 1.295 nan 8.230 nan 0.000 0.519 111 G N 1.325 110.176 108.800 0.084 0.000 2.531 111 G HA2 -0.137 3.825 3.960 0.005 0.000 0.283 111 G HA3 -0.137 3.825 3.960 0.005 0.000 0.283 111 G C -0.492 174.436 174.900 0.047 0.000 1.068 111 G CA 0.497 45.641 45.100 0.073 0.000 1.273 111 G HN 1.000 nan 8.290 nan 0.000 0.532 112 K N 0.569 120.989 120.400 0.033 0.000 2.480 112 K HA 0.650 4.973 4.320 0.005 0.000 0.258 112 K C 0.696 177.306 176.600 0.016 0.000 0.990 112 K CA -1.272 55.021 56.287 0.010 0.000 0.857 112 K CB 1.337 33.831 32.500 -0.010 0.000 1.384 112 K HN 0.203 nan 8.250 nan 0.000 0.446 113 L N 3.459 124.685 121.223 0.005 0.000 2.514 113 L HA -0.049 4.294 4.340 0.005 0.000 0.280 113 L C 1.085 177.953 176.870 -0.003 0.000 1.223 113 L CA -0.043 54.801 54.840 0.008 0.000 0.864 113 L CB 0.319 42.379 42.059 0.002 0.000 1.118 113 L HN 0.610 nan 8.230 nan 0.000 0.494 114 L N 5.160 126.381 121.223 -0.003 0.000 2.612 114 L HA 0.288 4.631 4.340 0.005 0.000 0.230 114 L C -0.036 176.824 176.870 -0.017 0.000 1.140 114 L CA 0.616 55.449 54.840 -0.012 0.000 0.896 114 L CB -0.382 41.666 42.059 -0.018 0.000 1.065 114 L HN 0.535 nan 8.230 nan 0.000 0.447 115 L N -1.144 120.072 121.223 -0.012 0.000 2.700 115 L HA 0.309 4.652 4.340 0.005 0.000 0.255 115 L C -1.439 175.435 176.870 0.007 0.000 0.933 115 L CA -0.517 54.321 54.840 -0.004 0.000 0.920 115 L CB 2.605 44.662 42.059 -0.003 0.000 1.472 115 L HN -0.162 nan 8.230 nan 0.000 0.426 116 D N 0.250 120.664 120.400 0.023 0.000 2.553 116 D HA 0.283 4.925 4.640 0.005 0.000 0.249 116 D C 0.465 176.833 176.300 0.114 0.000 1.062 116 D CA -0.504 53.530 54.000 0.057 0.000 1.085 116 D CB 1.278 42.093 40.800 0.025 0.000 1.350 116 D HN 0.472 nan 8.370 nan 0.000 0.575 117 E N -0.672 119.612 120.200 0.141 0.000 2.339 117 E HA -0.201 4.151 4.350 0.005 0.000 0.201 117 E C 1.372 178.021 176.600 0.082 0.000 1.015 117 E CA 1.170 57.629 56.400 0.098 0.000 0.841 117 E CB -0.223 29.520 29.700 0.071 0.000 0.754 117 E HN 0.424 nan 8.360 nan 0.000 0.508 118 H N -0.264 118.804 119.070 -0.003 0.000 2.491 118 H HA -0.011 4.547 4.556 0.005 0.000 0.290 118 H C 0.977 176.302 175.328 -0.005 0.000 1.050 118 H CA 0.397 56.442 56.048 -0.004 0.000 1.309 118 H CB 0.091 29.849 29.762 -0.006 0.000 1.392 118 H HN 0.128 nan 8.280 nan 0.000 0.554 119 N N 1.251 120.015 118.700 0.107 0.000 2.515 119 N HA -0.077 4.666 4.740 0.005 0.000 0.279 119 N C 1.007 176.533 175.510 0.027 0.000 1.164 119 N CA 0.091 53.170 53.050 0.049 0.000 0.982 119 N CB 2.248 40.755 38.487 0.033 0.000 1.170 119 N HN 0.098 nan 8.380 nan 0.000 0.474 120 E N 2.431 122.639 120.200 0.013 0.000 2.051 120 E HA 0.020 4.373 4.350 0.005 0.000 0.189 120 E C 1.733 178.337 176.600 0.008 0.000 0.979 120 E CA 1.238 57.641 56.400 0.006 0.000 0.803 120 E CB -0.269 29.431 29.700 0.001 0.000 0.761 120 E HN 0.704 nan 8.360 nan 0.000 0.451 121 L N -0.196 121.031 121.223 0.007 0.000 2.156 121 L HA -0.039 4.304 4.340 0.005 0.000 0.208 121 L C 2.257 179.134 176.870 0.012 0.000 1.095 121 L CA 0.769 55.613 54.840 0.007 0.000 0.770 121 L CB -0.228 41.832 42.059 0.001 0.000 0.914 121 L HN 0.250 nan 8.230 nan 0.000 0.439 122 M N -0.553 119.055 119.600 0.014 0.000 2.630 122 M HA -0.079 4.404 4.480 0.005 0.000 0.254 122 M C 2.003 178.319 176.300 0.026 0.000 1.092 122 M CA 1.397 56.708 55.300 0.019 0.000 1.087 122 M CB -0.341 32.272 32.600 0.020 0.000 1.453 122 M HN 0.004 nan 8.290 nan 0.000 0.509 123 R N -1.253 119.261 120.500 0.024 0.000 2.080 123 R HA 0.002 4.345 4.340 0.005 0.000 0.222 123 R C 2.030 178.344 176.300 0.024 0.000 1.107 123 R CA 1.266 57.380 56.100 0.023 0.000 0.980 123 R CB -0.233 30.076 30.300 0.015 0.000 0.879 123 R HN 0.462 nan 8.270 nan 0.000 0.439 124 Q N 0.169 119.982 119.800 0.021 0.000 2.224 124 Q HA -0.045 4.298 4.340 0.005 0.000 0.203 124 Q C 2.007 178.025 176.000 0.031 0.000 0.970 124 Q CA 1.419 57.236 55.803 0.024 0.000 0.865 124 Q CB 0.041 28.791 28.738 0.020 0.000 0.922 124 Q HN 0.337 nan 8.270 nan 0.000 0.445 125 A N 0.670 123.508 122.820 0.031 0.000 1.840 125 A HA -0.112 4.211 4.320 0.005 0.000 0.214 125 A C 1.965 179.577 177.584 0.047 0.000 1.198 125 A CA 0.803 52.863 52.037 0.039 0.000 0.608 125 A CB -0.706 18.314 19.000 0.032 0.000 0.839 125 A HN 0.362 nan 8.150 nan 0.000 0.443 126 L N -0.704 120.545 121.223 0.043 0.000 2.201 126 L HA -0.109 4.234 4.340 0.005 0.000 0.212 126 L C 2.771 179.670 176.870 0.049 0.000 1.105 126 L CA 1.090 55.959 54.840 0.049 0.000 0.775 126 L CB -0.217 41.868 42.059 0.044 0.000 0.913 126 L HN 0.426 nan 8.230 nan 0.000 0.440 127 A N -0.213 122.632 122.820 0.041 0.000 1.872 127 A HA -0.091 4.231 4.320 0.005 0.000 0.214 127 A C 1.380 178.989 177.584 0.041 0.000 1.187 127 A CA 0.449 52.509 52.037 0.038 0.000 0.614 127 A CB -0.471 18.547 19.000 0.031 0.000 0.826 127 A HN 0.352 nan 8.150 nan 0.000 0.442 128 I N 0.781 121.377 120.570 0.044 0.000 2.710 128 I HA 0.013 4.186 4.170 0.005 0.000 0.286 128 I C 0.053 176.202 176.117 0.052 0.000 1.181 128 I CA 0.072 61.399 61.300 0.046 0.000 1.430 128 I CB 0.498 38.527 38.000 0.047 0.000 1.367 128 I HN 0.255 nan 8.210 nan 0.000 0.577 129 K N 4.879 125.308 120.400 0.048 0.000 2.109 129 K HA 0.321 4.643 4.320 0.005 0.000 0.243 129 K C -0.740 175.891 176.600 0.051 0.000 1.006 129 K CA -0.491 55.826 56.287 0.051 0.000 0.917 129 K CB 0.620 33.146 32.500 0.045 0.000 1.081 129 K HN 0.745 nan 8.250 nan 0.000 0.468 130 D N -0.186 120.244 120.400 0.051 0.000 3.244 130 D HA -0.107 4.535 4.640 0.005 0.000 0.213 130 D C 0.082 176.414 176.300 0.054 0.000 1.229 130 D CA 0.376 54.403 54.000 0.045 0.000 0.619 130 D CB -0.653 40.172 40.800 0.042 0.000 0.406 130 D HN 0.476 nan 8.370 nan 0.000 0.172 131 S N 3.017 118.741 115.700 0.039 0.000 2.452 131 S HA -0.344 4.129 4.470 0.005 0.000 0.253 131 S C 1.684 176.317 174.600 0.056 0.000 1.061 131 S CA 1.809 60.030 58.200 0.034 0.000 1.273 131 S CB -0.264 62.904 63.200 -0.053 0.000 1.191 131 S HN 0.662 nan 8.310 nan 0.000 0.430 132 K N 0.992 121.388 120.400 -0.007 0.000 2.107 132 K HA -0.128 4.195 4.320 0.005 0.000 0.211 132 K C 2.154 178.802 176.600 0.081 0.000 1.049 132 K CA 1.579 57.862 56.287 -0.007 0.000 0.927 132 K CB -0.198 32.278 32.500 -0.041 0.000 0.714 132 K HN 0.129 nan 8.250 nan 0.000 0.452 133 K N 0.016 120.465 120.400 0.081 0.000 2.076 133 K HA 0.029 4.352 4.320 0.005 0.000 0.204 133 K C 2.032 178.711 176.600 0.130 0.000 1.051 133 K CA 0.994 57.340 56.287 0.098 0.000 0.949 133 K CB -0.036 32.507 32.500 0.072 0.000 0.726 133 K HN 0.058 nan 8.250 nan 0.000 0.443 134 R N -0.348 120.231 120.500 0.133 0.000 2.073 134 R HA -0.138 4.205 4.340 0.005 0.000 0.234 134 R C 2.193 178.604 176.300 0.185 0.000 1.134 134 R CA 1.640 57.823 56.100 0.138 0.000 0.952 134 R CB -0.533 29.842 30.300 0.125 0.000 0.850 134 R HN 0.244 nan 8.270 nan 0.000 0.433 135 F N 1.118 121.110 119.950 0.071 0.000 2.069 135 F HA -0.179 4.351 4.527 0.005 0.000 0.298 135 F C 2.117 178.002 175.800 0.141 0.000 1.113 135 F CA 2.034 60.092 58.000 0.097 0.000 1.214 135 F CB -0.308 38.716 39.000 0.040 0.000 0.978 135 F HN 0.148 nan 8.300 nan 0.000 0.474 136 A N -0.251 122.829 122.820 0.433 0.000 2.168 136 A HA 0.192 4.515 4.320 0.005 0.000 0.215 136 A C 2.115 179.844 177.584 0.242 0.000 1.152 136 A CA 1.049 53.294 52.037 0.346 0.000 0.716 136 A CB -1.168 17.997 19.000 0.276 0.000 0.794 136 A HN 0.515 nan 8.150 nan 0.000 0.465 137 A N 0.007 122.928 122.820 0.167 0.000 1.903 137 A HA 0.100 4.422 4.320 0.005 0.000 0.213 137 A C 1.997 179.627 177.584 0.077 0.000 1.185 137 A CA 1.068 53.172 52.037 0.111 0.000 0.628 137 A CB -0.434 18.618 19.000 0.087 0.000 0.830 137 A HN 0.415 nan 8.150 nan 0.000 0.446 138 I N -2.159 118.443 120.570 0.054 0.000 2.286 138 I HA -0.276 3.897 4.170 0.005 0.000 0.248 138 I C 2.385 178.495 176.117 -0.012 0.000 1.115 138 I CA 1.518 62.816 61.300 -0.004 0.000 1.392 138 I CB -0.182 37.792 38.000 -0.043 0.000 1.065 138 I HN 0.717 nan 8.210 nan 0.000 0.418 139 W N 1.749 122.915 121.300 -0.224 0.000 2.380 139 W HA -0.252 4.411 4.660 0.005 0.000 0.317 139 W C 2.898 179.370 176.519 -0.077 0.000 1.196 139 W CA 2.555 59.783 57.345 -0.195 0.000 1.307 139 W CB -0.710 28.621 29.460 -0.215 0.000 1.157 139 W HN 0.195 nan 8.180 nan 0.000 0.483 140 T N -0.421 114.160 114.554 0.046 0.000 2.778 140 T HA -0.230 4.123 4.350 0.005 0.000 0.269 140 T C 1.278 175.852 174.700 -0.210 0.000 1.050 140 T CA 1.450 63.461 62.100 -0.149 0.000 1.137 140 T CB -0.729 68.167 68.868 0.046 0.000 0.860 140 T HN 0.138 nan 8.240 nan 0.000 0.468 141 L N 0.317 121.466 121.223 -0.124 0.000 3.048 141 L HA 0.516 4.858 4.340 0.005 0.000 0.234 141 L C 0.940 177.737 176.870 -0.121 0.000 1.318 141 L CA -0.486 54.288 54.840 -0.109 0.000 1.109 141 L CB 0.702 42.731 42.059 -0.051 0.000 1.480 141 L HN 0.466 nan 8.230 nan 0.000 0.495 142 C N -1.392 117.789 119.300 -0.199 0.000 5.077 142 C HA -0.028 4.435 4.460 0.005 0.000 0.403 142 C C 2.215 177.055 174.990 -0.250 0.000 1.589 142 C CA 0.101 59.015 59.018 -0.175 0.000 2.057 142 C CB -0.226 27.442 27.740 -0.119 0.000 2.762 142 C HN 0.723 nan 8.230 nan 0.000 0.560 143 K N 0.615 120.746 120.400 -0.449 0.000 2.217 143 K HA -0.001 4.322 4.320 0.005 0.000 0.202 143 K C 1.084 177.510 176.600 -0.291 0.000 1.051 143 K CA 2.144 58.137 56.287 -0.490 0.000 0.952 143 K CB -0.560 31.364 32.500 -0.960 0.000 0.736 143 K HN 0.467 nan 8.250 nan 0.000 0.453 144 T N 0.903 115.312 114.554 -0.243 0.000 3.118 144 T HA 0.050 4.403 4.350 0.005 0.000 0.260 144 T C 0.358 174.992 174.700 -0.111 0.000 1.139 144 T CA 0.150 62.155 62.100 -0.159 0.000 1.085 144 T CB 0.034 68.822 68.868 -0.135 0.000 0.934 144 T HN 0.049 nan 8.240 nan 0.000 0.518 145 K N 2.304 122.639 120.400 -0.108 0.000 2.307 145 K HA 0.199 4.522 4.320 0.005 0.000 0.285 145 K C 0.884 177.450 176.600 -0.056 0.000 1.073 145 K CA 0.033 56.277 56.287 -0.071 0.000 0.996 145 K CB 0.525 32.987 32.500 -0.063 0.000 0.994 145 K HN 0.389 nan 8.250 nan 0.000 0.452 146 M N 1.365 120.939 119.600 -0.042 0.000 2.193 146 M HA -0.132 4.350 4.480 0.005 0.000 0.265 146 M C 1.524 177.820 176.300 -0.005 0.000 1.071 146 M CA 1.033 56.316 55.300 -0.028 0.000 1.140 146 M CB -0.387 32.201 32.600 -0.020 0.000 1.369 146 M HN 0.283 nan 8.290 nan 0.000 0.423 147 V N -4.268 115.643 119.914 -0.005 0.000 5.707 147 V HA 0.400 4.523 4.120 0.005 0.000 0.154 147 V C 1.151 177.245 176.094 -0.000 0.000 1.079 147 V CA -0.257 62.046 62.300 0.005 0.000 1.339 147 V CB 0.631 32.455 31.823 0.001 0.000 2.372 147 V HN 0.487 nan 8.190 nan 0.000 0.319 148 C N -2.547 116.749 119.300 -0.006 0.000 5.864 148 C HA 0.160 4.623 4.460 0.005 0.000 0.293 148 C C 0.830 175.812 174.990 -0.013 0.000 0.636 148 C CA 0.836 59.849 59.018 -0.010 0.000 2.369 148 C CB -0.594 27.142 27.740 -0.008 0.000 1.869 148 C HN 1.020 nan 8.230 nan 0.000 0.328 149 E N -0.361 119.833 120.200 -0.011 0.000 3.228 149 E HA -0.280 4.073 4.350 0.005 0.000 0.299 149 E C 0.519 177.112 176.600 -0.012 0.000 1.446 149 E CA 1.565 57.959 56.400 -0.010 0.000 1.835 149 E CB -1.346 28.349 29.700 -0.009 0.000 1.933 149 E HN 0.613 nan 8.360 nan 0.000 0.511 150 T N -0.369 114.179 114.554 -0.010 0.000 3.422 150 T HA 0.240 4.593 4.350 0.005 0.000 0.192 150 T C -0.252 174.441 174.700 -0.012 0.000 0.857 150 T CA 0.294 62.388 62.100 -0.010 0.000 1.400 150 T CB 0.117 68.981 68.868 -0.006 0.000 1.864 150 T HN 0.397 nan 8.240 nan 0.000 0.415 151 D N -0.542 119.857 120.400 -0.003 0.000 2.946 151 D HA 0.377 5.020 4.640 0.005 0.000 0.337 151 D C -1.195 175.120 176.300 0.025 0.000 1.332 151 D CA -0.462 53.541 54.000 0.005 0.000 0.935 151 D CB 1.876 42.680 40.800 0.007 0.000 1.440 151 D HN 0.041 nan 8.370 nan 0.000 0.540 152 V N 2.243 122.190 119.914 0.054 0.000 2.637 152 V HA 0.178 4.300 4.120 0.005 0.000 0.296 152 V C -1.892 174.224 176.094 0.036 0.000 1.046 152 V CA -0.786 61.550 62.300 0.061 0.000 1.066 152 V CB 0.810 32.698 31.823 0.109 0.000 0.968 152 V HN 0.357 nan 8.190 nan 0.000 0.483 153 P HA 0.062 nan 4.420 nan 0.000 0.269 153 P C 0.073 177.379 177.300 0.011 0.000 1.217 153 P CA 0.169 63.277 63.100 0.014 0.000 0.783 153 P CB 0.416 32.121 31.700 0.009 0.000 0.898 162 V N -0.548 119.387 119.914 0.034 0.000 2.509 162 V HA 0.625 4.748 4.120 0.005 0.000 0.289 162 V C -0.042 176.078 176.094 0.043 0.000 1.026 162 V CA -0.481 61.847 62.300 0.047 0.000 0.872 162 V CB 1.451 33.317 31.823 0.070 0.000 1.017 162 V HN 0.630 nan 8.190 nan 0.000 0.436 163 S N 3.874 119.584 115.700 0.016 0.000 2.610 163 S HA 0.666 5.139 4.470 0.005 0.000 0.273 163 S C 0.885 175.463 174.600 -0.036 0.000 1.274 163 S CA 0.175 58.367 58.200 -0.014 0.000 1.023 163 S CB 1.411 64.602 63.200 -0.014 0.000 0.962 163 S HN 1.007 nan 8.310 nan 0.000 0.523 164 R N 3.077 123.528 120.500 -0.082 0.000 2.789 164 R HA 0.647 4.989 4.340 0.005 0.000 0.166 164 R C 0.834 177.086 176.300 -0.080 0.000 0.957 164 R CA -0.009 56.024 56.100 -0.111 0.000 1.084 164 R CB -0.288 29.866 30.300 -0.244 0.000 1.312 164 R HN 0.698 nan 8.270 nan 0.000 0.546 165 G N -0.909 107.843 108.800 -0.080 0.000 2.368 165 G HA2 0.462 4.425 3.960 0.005 0.000 0.293 165 G HA3 0.462 4.425 3.960 0.005 0.000 0.293 165 G C -0.664 174.205 174.900 -0.052 0.000 1.467 165 G CA -0.203 44.862 45.100 -0.059 0.000 0.804 165 G HN 0.701 nan 8.290 nan 0.000 0.535 166 G N -1.921 106.857 108.800 -0.037 0.000 2.549 166 G HA2 0.416 4.379 3.960 0.005 0.000 0.404 166 G HA3 0.416 4.379 3.960 0.005 0.000 0.404 166 G C 0.515 175.408 174.900 -0.012 0.000 1.292 166 G CA 0.422 45.508 45.100 -0.023 0.000 0.935 166 G HN 2.525 nan 8.290 nan 0.000 0.512 167 C N -1.979 117.320 119.300 -0.001 0.000 3.590 167 C HA 1.116 5.579 4.460 0.005 0.000 0.338 167 C C 1.559 176.543 174.990 -0.010 0.000 3.308 167 C CA 0.583 59.602 59.018 0.002 0.000 1.716 167 C CB 1.191 28.947 27.740 0.027 0.000 3.622 167 C HN 2.374 nan 8.230 nan 0.000 0.515 168 G N -0.109 108.678 108.800 -0.021 0.000 3.069 168 G HA2 0.436 4.399 3.960 0.005 0.000 0.205 168 G HA3 0.436 4.399 3.960 0.005 0.000 0.205 168 G C -0.321 174.548 174.900 -0.051 0.000 1.771 168 G CA 0.007 45.089 45.100 -0.030 0.000 0.739 168 G HN 1.887 nan 8.290 nan 0.000 0.784 169 N N 0.133 118.789 118.700 -0.073 0.000 2.776 169 N HA -0.154 4.588 4.740 0.005 0.000 0.292 169 N C -0.119 175.378 175.510 -0.020 0.000 1.561 169 N CA 0.697 53.687 53.050 -0.099 0.000 1.336 169 N CB -1.144 37.193 38.487 -0.250 0.000 0.970 169 N HN 0.719 nan 8.380 nan 0.000 0.524 170 T N 0.515 115.093 114.554 0.040 0.000 2.792 170 T HA -0.064 4.288 4.350 0.005 0.000 0.286 170 T C 0.310 175.145 174.700 0.225 0.000 0.970 170 T CA -0.350 61.817 62.100 0.112 0.000 1.187 170 T CB 0.880 69.821 68.868 0.122 0.000 0.915 170 T HN 0.627 nan 8.240 nan 0.000 0.529 171 Q N 5.029 124.902 119.800 0.122 0.000 2.352 171 Q HA 0.228 4.571 4.340 0.005 0.000 0.260 171 Q C -1.986 173.984 176.000 -0.051 0.000 0.976 171 Q CA -1.852 54.010 55.803 0.098 0.000 0.881 171 Q CB 0.774 29.531 28.738 0.032 0.000 1.235 171 Q HN 0.604 nan 8.270 nan 0.000 0.419 172 P HA 0.049 nan 4.420 nan 0.000 0.274 172 P C -0.975 176.093 177.300 -0.386 0.000 1.246 172 P CA -0.212 62.459 63.100 -0.714 0.000 0.795 172 P CB 0.590 31.618 31.700 -1.119 0.000 1.006 173 T N 2.538 116.871 114.554 -0.369 0.000 2.747 173 T HA 0.400 4.753 4.350 0.005 0.000 0.301 173 T C 0.461 175.046 174.700 -0.191 0.000 0.952 173 T CA -0.123 61.853 62.100 -0.207 0.000 0.983 173 T CB -0.547 68.237 68.868 -0.141 0.000 0.930 173 T HN 0.196 nan 8.240 nan 0.000 0.494 174 I N 3.759 124.256 120.570 -0.122 0.000 2.385 174 I HA 0.546 4.718 4.170 0.005 0.000 0.294 174 I C 0.565 176.674 176.117 -0.014 0.000 0.988 174 I CA -0.791 60.465 61.300 -0.073 0.000 1.265 174 I CB 1.366 39.347 38.000 -0.032 0.000 1.388 174 I HN 0.354 nan 8.210 nan 0.000 0.480 175 R N 3.557 124.052 120.500 -0.008 0.000 2.888 175 R HA 0.466 4.809 4.340 0.005 0.000 0.264 175 R C -0.832 175.478 176.300 0.017 0.000 1.045 175 R CA -1.027 55.082 56.100 0.015 0.000 0.962 175 R CB 1.806 32.112 30.300 0.009 0.000 1.210 175 R HN 0.417 nan 8.270 nan 0.000 0.479 176 K N 1.034 121.445 120.400 0.018 0.000 2.234 176 K HA 0.118 4.441 4.320 0.005 0.000 0.282 176 K C -1.167 175.443 176.600 0.016 0.000 1.039 176 K CA -0.101 56.190 56.287 0.007 0.000 0.928 176 K CB 0.831 33.331 32.500 0.000 0.000 1.039 176 K HN 0.406 nan 8.250 nan 0.000 0.470 177 D N 3.197 123.611 120.400 0.022 0.000 2.402 177 D HA 0.257 4.900 4.640 0.005 0.000 0.252 177 D C 0.642 176.968 176.300 0.043 0.000 1.294 177 D CA 0.600 54.620 54.000 0.033 0.000 0.948 177 D CB 1.076 41.900 40.800 0.041 0.000 1.202 177 D HN 0.814 nan 8.370 nan 0.000 0.561 178 G N 3.389 112.212 108.800 0.038 0.000 3.024 178 G HA2 -0.337 3.626 3.960 0.005 0.000 0.339 178 G HA3 -0.337 3.626 3.960 0.005 0.000 0.339 178 G C 0.499 175.438 174.900 0.065 0.000 1.200 178 G CA 1.276 46.408 45.100 0.053 0.000 0.968 178 G HN 0.730 nan 8.290 nan 0.000 0.593 179 L N -1.232 120.050 121.223 0.099 0.000 3.347 179 L HA 0.851 5.194 4.340 0.005 0.000 0.306 179 L C -0.046 176.948 176.870 0.206 0.000 1.301 179 L CA -0.385 54.527 54.840 0.121 0.000 0.985 179 L CB 0.690 42.861 42.059 0.188 0.000 1.400 179 L HN 0.272 nan 8.230 nan 0.000 0.601 180 K N 0.690 121.184 120.400 0.157 0.000 2.395 180 K HA 0.852 5.175 4.320 0.005 0.000 0.247 180 K C -1.205 175.481 176.600 0.144 0.000 0.973 180 K CA -0.328 56.107 56.287 0.246 0.000 0.828 180 K CB 2.443 35.054 32.500 0.186 0.000 1.272 180 K HN 0.124 nan 8.250 nan 0.000 0.439 181 L N 2.273 123.619 121.223 0.206 0.000 2.346 181 L HA 0.618 4.961 4.340 0.005 0.000 0.274 181 L C 0.044 176.972 176.870 0.096 0.000 1.007 181 L CA -1.194 53.717 54.840 0.118 0.000 0.818 181 L CB 1.638 43.778 42.059 0.135 0.000 1.284 181 L HN 0.448 nan 8.230 nan 0.000 0.424 182 V N -0.706 119.231 119.914 0.038 0.000 3.602 182 V HA 0.994 5.117 4.120 0.005 0.000 0.285 182 V C 0.162 176.205 176.094 -0.085 0.000 1.187 182 V CA -0.425 61.880 62.300 0.007 0.000 0.940 182 V CB 1.512 33.338 31.823 0.005 0.000 1.250 182 V HN 0.850 nan 8.190 nan 0.000 0.455 183 G N 0.009 108.713 108.800 -0.160 0.000 2.167 183 G HA2 0.413 4.376 3.960 0.005 0.000 0.300 183 G HA3 0.413 4.376 3.960 0.005 0.000 0.300 183 G C -0.699 173.900 174.900 -0.503 0.000 1.842 183 G CA 0.213 45.031 45.100 -0.471 0.000 1.035 183 G HN 0.893 nan 8.290 nan 0.000 0.489 184 S N 0.988 116.461 115.700 -0.378 0.000 2.585 184 S HA 0.717 5.189 4.470 0.005 0.000 0.273 184 S C -0.659 173.770 174.600 -0.286 0.000 1.339 184 S CA -0.132 57.949 58.200 -0.198 0.000 1.028 184 S CB 0.497 63.627 63.200 -0.118 0.000 0.906 184 S HN 0.454 nan 8.310 nan 0.000 0.528 185 W N 3.292 124.593 121.300 0.003 0.000 3.326 185 W HA 0.442 5.105 4.660 0.005 0.000 0.333 185 W C -0.192 176.323 176.519 -0.007 0.000 1.108 185 W CA -0.692 56.650 57.345 -0.004 0.000 1.245 185 W CB 1.607 31.064 29.460 -0.004 0.000 1.331 185 W HN 0.777 nan 8.180 nan 0.000 0.464 200 R N -0.165 120.522 120.500 0.312 0.000 2.943 200 R HA 0.807 5.150 4.340 0.005 0.000 0.246 200 R C -0.983 175.418 176.300 0.168 0.000 1.201 200 R CA -0.734 55.506 56.100 0.232 0.000 1.056 200 R CB 1.221 31.680 30.300 0.265 0.000 1.243 200 R HN -0.134 nan 8.270 nan 0.000 0.498 201 V N 2.064 122.062 119.914 0.140 0.000 2.432 201 V HA 0.156 4.279 4.120 0.005 0.000 0.271 201 V C 0.066 176.241 176.094 0.136 0.000 1.046 201 V CA -0.645 61.725 62.300 0.118 0.000 0.945 201 V CB 0.805 32.687 31.823 0.099 0.000 0.992 201 V HN 0.474 nan 8.190 nan 0.000 0.471 202 L N 5.190 126.492 121.223 0.132 0.000 2.515 202 L HA 0.149 4.492 4.340 0.005 0.000 0.281 202 L C 1.018 177.962 176.870 0.123 0.000 1.131 202 L CA 0.998 55.923 54.840 0.140 0.000 0.905 202 L CB 0.802 42.936 42.059 0.124 0.000 1.246 202 L HN 0.827 nan 8.230 nan 0.000 0.463 203 S N 2.137 117.889 115.700 0.087 0.000 2.552 203 S HA -0.018 4.455 4.470 0.005 0.000 0.289 203 S C 1.442 176.031 174.600 -0.018 0.000 1.304 203 S CA 0.028 58.247 58.200 0.031 0.000 1.063 203 S CB 0.675 63.887 63.200 0.021 0.000 0.848 203 S HN 0.771 nan 8.310 nan 0.000 0.499 204 T N 3.939 118.418 114.554 -0.126 0.000 2.904 204 T HA -0.073 4.280 4.350 0.005 0.000 0.267 204 T C 1.667 176.277 174.700 -0.149 0.000 1.059 204 T CA 1.457 63.381 62.100 -0.293 0.000 1.137 204 T CB -0.357 68.123 68.868 -0.646 0.000 0.879 204 T HN 0.813 nan 8.240 nan 0.000 0.467 205 E N 1.717 121.862 120.200 -0.093 0.000 2.077 205 E HA -0.175 4.177 4.350 0.005 0.000 0.193 205 E C 2.105 178.684 176.600 -0.034 0.000 0.989 205 E CA 1.515 57.885 56.400 -0.050 0.000 0.800 205 E CB -0.176 29.503 29.700 -0.036 0.000 0.746 205 E HN 0.659 nan 8.360 nan 0.000 0.452 206 E N 0.118 120.301 120.200 -0.028 0.000 2.038 206 E HA -0.224 4.129 4.350 0.005 0.000 0.195 206 E C 2.073 178.647 176.600 -0.043 0.000 1.000 206 E CA 1.872 58.258 56.400 -0.023 0.000 0.803 206 E CB -0.306 29.399 29.700 0.008 0.000 0.750 206 E HN 0.439 nan 8.360 nan 0.000 0.448 207 I N 1.817 122.364 120.570 -0.039 0.000 2.454 207 I HA -0.228 3.945 4.170 0.005 0.000 0.254 207 I C 2.558 178.678 176.117 0.005 0.000 1.156 207 I CA 0.330 61.584 61.300 -0.077 0.000 1.433 207 I CB -0.363 37.648 38.000 0.019 0.000 1.082 207 I HN 0.362 nan 8.210 nan 0.000 0.432 208 L N 1.358 122.613 121.223 0.054 0.000 1.971 208 L HA -0.296 4.047 4.340 0.005 0.000 0.215 208 L C 2.131 179.034 176.870 0.054 0.000 1.072 208 L CA 2.677 57.576 54.840 0.099 0.000 0.758 208 L CB -0.985 41.106 42.059 0.053 0.000 0.889 208 L HN 0.345 nan 8.230 nan 0.000 0.433 209 N N -0.336 118.348 118.700 -0.026 0.000 2.142 209 N HA -0.170 4.573 4.740 0.005 0.000 0.186 209 N C 1.891 177.316 175.510 -0.141 0.000 1.023 209 N CA 1.321 54.309 53.050 -0.104 0.000 0.852 209 N CB -0.030 38.386 38.487 -0.119 0.000 0.998 209 N HN 0.324 nan 8.380 nan 0.000 0.424 210 I N 0.216 120.716 120.570 -0.117 0.000 2.194 210 I HA -0.260 3.913 4.170 0.005 0.000 0.246 210 I C 1.512 177.578 176.117 -0.085 0.000 1.093 210 I CA 1.277 62.497 61.300 -0.132 0.000 1.355 210 I CB -1.279 36.594 38.000 -0.212 0.000 1.046 210 I HN 0.165 nan 8.210 nan 0.000 0.413 211 F N 1.205 121.151 119.950 -0.006 0.000 2.113 211 F HA -0.127 4.403 4.527 0.005 0.000 0.297 211 F C 2.497 178.282 175.800 -0.026 0.000 1.103 211 F CA 1.105 59.097 58.000 -0.014 0.000 1.248 211 F CB -0.957 38.019 39.000 -0.039 0.000 0.999 211 F HN -0.008 nan 8.300 nan 0.000 0.475 212 K N -0.971 119.497 120.400 0.115 0.000 2.442 212 K HA -0.203 4.120 4.320 0.005 0.000 0.200 212 K C 1.730 178.357 176.600 0.046 0.000 1.045 212 K CA 1.049 57.350 56.287 0.023 0.000 0.937 212 K CB -0.055 32.415 32.500 -0.049 0.000 0.757 212 K HN 0.241 nan 8.250 nan 0.000 0.474 213 H N -0.299 118.807 119.070 0.060 0.000 2.279 213 H HA 0.075 4.634 4.556 0.005 0.000 0.327 213 H C 1.448 176.772 175.328 -0.007 0.000 1.122 213 H CA 0.994 57.053 56.048 0.018 0.000 1.618 213 H CB -0.095 29.668 29.762 0.002 0.000 1.495 213 H HN -0.108 nan 8.280 nan 0.000 0.592 214 I N -0.456 120.211 120.570 0.162 0.000 4.909 214 I HA -0.343 3.830 4.170 0.005 0.000 0.038 214 I C 0.754 176.795 176.117 -0.127 0.000 0.635 214 I CA 1.308 62.623 61.300 0.026 0.000 0.201 214 I CB -1.867 36.167 38.000 0.058 0.000 0.318 214 I HN 0.438 nan 8.210 nan 0.000 0.151 215 S N -0.569 114.931 115.700 -0.333 0.000 2.571 215 S HA 0.560 5.033 4.470 0.005 0.000 0.284 215 S C 0.538 174.705 174.600 -0.722 0.000 1.128 215 S CA -0.242 57.732 58.200 -0.376 0.000 0.970 215 S CB 1.743 64.800 63.200 -0.238 0.000 1.039 215 S HN 0.433 nan 8.310 nan 0.000 0.485 216 V N 4.636 124.245 119.914 -0.508 0.000 3.025 216 V HA -0.122 4.001 4.120 0.005 0.000 0.269 216 V C 1.834 177.682 176.094 -0.410 0.000 1.159 216 V CA 2.198 64.231 62.300 -0.445 0.000 1.171 216 V CB -1.021 30.709 31.823 -0.155 0.000 0.762 216 V HN 0.857 nan 8.190 nan 0.000 0.530 217 K N -1.382 118.779 120.400 -0.399 0.000 2.558 217 K HA 0.080 4.403 4.320 0.005 0.000 0.215 217 K C 0.876 177.388 176.600 -0.147 0.000 1.298 217 K CA 0.067 56.244 56.287 -0.184 0.000 1.008 217 K CB 0.575 33.011 32.500 -0.107 0.000 1.073 217 K HN 0.268 nan 8.250 nan 0.000 0.606 218 D N 0.539 120.783 120.400 -0.260 0.000 2.323 218 D HA 0.020 4.663 4.640 0.005 0.000 0.209 218 D C 1.255 177.577 176.300 0.036 0.000 0.973 218 D CA 0.457 54.389 54.000 -0.115 0.000 0.874 218 D CB 0.060 40.789 40.800 -0.118 0.000 0.930 218 D HN 0.184 nan 8.370 nan 0.000 0.521 219 F N 1.396 121.357 119.950 0.018 0.000 1.988 219 F HA -0.258 4.272 4.527 0.005 0.000 0.296 219 F C 2.639 178.550 175.800 0.185 0.000 1.178 219 F CA 1.157 59.202 58.000 0.075 0.000 1.174 219 F CB -1.106 37.910 39.000 0.026 0.000 0.963 219 F HN -0.075 nan 8.300 nan 0.000 0.489 220 T N 0.063 114.831 114.554 0.358 0.000 2.731 220 T HA -0.342 4.011 4.350 0.005 0.000 0.263 220 T C 1.864 176.680 174.700 0.192 0.000 1.033 220 T CA 2.070 64.303 62.100 0.221 0.000 1.160 220 T CB -1.008 67.941 68.868 0.134 0.000 0.849 220 T HN 0.445 nan 8.240 nan 0.000 0.469 221 S N 2.089 117.894 115.700 0.175 0.000 2.406 221 S HA 0.028 4.501 4.470 0.005 0.000 0.228 221 S C 1.498 176.222 174.600 0.207 0.000 1.020 221 S CA 0.665 58.954 58.200 0.149 0.000 0.965 221 S CB -0.527 62.732 63.200 0.098 0.000 0.798 221 S HN 0.556 nan 8.310 nan 0.000 0.488 222 L N -0.737 120.676 121.223 0.317 0.000 2.928 222 L HA 0.816 5.159 4.340 0.005 0.000 0.246 222 L C 1.273 178.493 176.870 0.582 0.000 1.239 222 L CA 0.124 55.247 54.840 0.472 0.000 1.035 222 L CB -0.232 42.109 42.059 0.470 0.000 1.360 222 L HN 0.336 nan 8.230 nan 0.000 0.529 223 G N -1.280 107.712 108.800 0.319 0.000 2.376 223 G HA2 -0.278 3.685 3.960 0.005 0.000 0.208 223 G HA3 -0.278 3.685 3.960 0.005 0.000 0.208 223 G C 0.358 175.233 174.900 -0.041 0.000 1.032 223 G CA -0.032 45.087 45.100 0.031 0.000 0.641 223 G HN 0.192 nan 8.290 nan 0.000 0.503 224 F N 1.094 121.072 119.950 0.046 0.000 1.996 224 F HA 0.542 5.072 4.527 0.005 0.000 0.237 224 F C 1.177 176.963 175.800 -0.025 0.000 1.004 224 F CA 0.831 58.796 58.000 -0.058 0.000 1.200 224 F CB 0.002 38.872 39.000 -0.216 0.000 1.887 224 F HN 0.319 nan 8.300 nan 0.000 0.532 225 N N -0.861 117.915 118.700 0.127 0.000 3.063 225 N HA 0.099 4.842 4.740 0.005 0.000 0.242 225 N C -0.063 175.432 175.510 -0.025 0.000 1.146 225 N CA -0.119 52.968 53.050 0.062 0.000 0.974 225 N CB 0.703 39.231 38.487 0.067 0.000 1.584 225 N HN 0.502 nan 8.380 nan 0.000 0.636 226 E N 1.796 122.035 120.200 0.065 0.000 2.675 226 E HA -0.387 3.966 4.350 0.005 0.000 0.244 226 E C 1.209 177.819 176.600 0.017 0.000 0.956 226 E CA 3.758 60.199 56.400 0.068 0.000 1.237 226 E CB -0.478 29.249 29.700 0.044 0.000 1.217 226 E HN 0.454 nan 8.360 nan 0.000 0.503 227 V N -2.241 117.651 119.914 -0.038 0.000 2.535 227 V HA 0.036 4.158 4.120 0.005 0.000 0.246 227 V C 2.396 178.716 176.094 0.376 0.000 1.045 227 V CA 1.826 64.181 62.300 0.092 0.000 1.058 227 V CB -0.915 30.871 31.823 -0.061 0.000 0.689 227 V HN 0.391 nan 8.190 nan 0.000 0.461 228 F N 2.043 122.111 119.950 0.195 0.000 2.179 228 F HA 0.144 4.674 4.527 0.005 0.000 0.292 228 F C 1.427 177.414 175.800 0.312 0.000 1.089 228 F CA 0.827 58.936 58.000 0.181 0.000 1.295 228 F CB 0.145 39.196 39.000 0.084 0.000 1.041 228 F HN 0.391 nan 8.300 nan 0.000 0.487 229 S N 0.357 116.302 115.700 0.408 0.000 2.511 229 S HA 0.478 4.950 4.470 0.005 0.000 0.233 229 S C -0.992 173.526 174.600 -0.137 0.000 1.104 229 S CA -0.920 57.455 58.200 0.291 0.000 1.129 229 S CB 0.884 64.204 63.200 0.200 0.000 1.159 229 S HN 0.117 nan 8.310 nan 0.000 0.451 230 R N 3.143 123.215 120.500 -0.713 0.000 2.346 230 R HA 0.451 4.794 4.340 0.005 0.000 0.311 230 R C -2.141 173.555 176.300 -1.006 0.000 0.983 230 R CA -2.351 52.958 56.100 -1.319 0.000 0.880 230 R CB 0.750 30.007 30.300 -1.739 0.000 1.100 230 R HN 0.276 nan 8.270 nan 0.000 0.453 231 P HA -0.264 nan 4.420 nan 0.000 0.219 231 P C 0.347 177.233 177.300 -0.690 0.000 1.144 231 P CA 1.318 63.821 63.100 -0.994 0.000 0.806 231 P CB 0.128 30.948 31.700 -1.468 0.000 0.771 232 E N -2.035 117.824 120.200 -0.568 0.000 2.396 232 E HA -0.188 4.165 4.350 0.005 0.000 0.200 232 E C 1.004 177.582 176.600 -0.038 0.000 1.023 232 E CA 0.762 57.011 56.400 -0.252 0.000 0.857 232 E CB -0.793 28.748 29.700 -0.265 0.000 0.775 232 E HN 0.371 nan 8.360 nan 0.000 0.525 233 W N 0.144 121.366 121.300 -0.130 0.000 2.907 233 W HA 0.349 5.012 4.660 0.005 0.000 0.271 233 W C 1.711 178.182 176.519 -0.080 0.000 1.253 233 W CA -0.522 56.785 57.345 -0.063 0.000 1.501 233 W CB -0.464 28.965 29.460 -0.051 0.000 1.047 233 W HN 0.056 nan 8.180 nan 0.000 0.610 234 M N 0.705 120.283 119.600 -0.036 0.000 2.617 234 M HA -0.134 4.349 4.480 0.005 0.000 0.258 234 M C -0.136 176.263 176.300 0.166 0.000 1.067 234 M CA 1.341 56.547 55.300 -0.156 0.000 1.057 234 M CB -0.739 31.645 32.600 -0.361 0.000 1.397 234 M HN -0.205 nan 8.290 nan 0.000 0.499 235 I N -2.348 118.350 120.570 0.214 0.000 2.686 235 I HA 0.423 4.596 4.170 0.005 0.000 0.295 235 I C -1.052 175.202 176.117 0.229 0.000 1.114 235 I CA -1.120 60.342 61.300 0.270 0.000 1.038 235 I CB 1.319 39.472 38.000 0.256 0.000 1.238 235 I HN -0.175 nan 8.210 nan 0.000 0.420 236 L N 4.614 125.963 121.223 0.209 0.000 2.257 236 L HA 0.534 4.876 4.340 0.005 0.000 0.290 236 L C 0.862 177.805 176.870 0.122 0.000 1.044 236 L CA -0.159 54.790 54.840 0.182 0.000 0.810 236 L CB 1.287 43.462 42.059 0.193 0.000 1.193 236 L HN 0.827 nan 8.230 nan 0.000 0.425 237 T N 0.051 114.672 114.554 0.112 0.000 2.866 237 T HA 0.009 4.362 4.350 0.005 0.000 0.250 237 T C 0.478 175.217 174.700 0.065 0.000 1.033 237 T CA 0.406 62.555 62.100 0.082 0.000 1.145 237 T CB 0.134 69.051 68.868 0.082 0.000 0.866 237 T HN 0.760 nan 8.240 nan 0.000 0.434 238 C N 2.287 121.620 119.300 0.056 0.000 2.686 238 C HA 0.874 5.337 4.460 0.005 0.000 0.318 238 C C -0.979 174.037 174.990 0.044 0.000 1.160 238 C CA -2.149 56.904 59.018 0.059 0.000 1.396 238 C CB 0.181 27.967 27.740 0.075 0.000 1.924 238 C HN 0.482 nan 8.230 nan 0.000 0.471 239 L N 1.182 122.437 121.223 0.053 0.000 2.295 239 L HA 0.860 5.203 4.340 0.005 0.000 0.285 239 L C -2.467 174.439 176.870 0.060 0.000 1.035 239 L CA -2.057 52.817 54.840 0.057 0.000 0.806 239 L CB 0.020 42.115 42.059 0.060 0.000 1.214 239 L HN 0.510 nan 8.230 nan 0.000 0.426 240 P HA 0.043 nan 4.420 nan 0.000 0.268 240 P C -0.668 176.824 177.300 0.320 0.000 1.204 240 P CA -0.061 63.125 63.100 0.143 0.000 0.768 240 P CB 1.011 32.674 31.700 -0.062 0.000 0.842 241 V N 5.809 125.905 119.914 0.303 0.000 2.288 241 V HA 0.198 4.321 4.120 0.005 0.000 0.266 241 V C -1.823 174.230 176.094 -0.069 0.000 1.048 241 V CA -2.056 60.318 62.300 0.124 0.000 0.842 241 V CB 0.608 32.445 31.823 0.024 0.000 1.064 241 V HN 0.522 nan 8.190 nan 0.000 0.472 242 P HA 0.185 nan 4.420 nan 0.000 0.266 242 P C -2.689 174.355 177.300 -0.425 0.000 1.195 242 P CA -1.072 61.673 63.100 -0.591 0.000 0.768 242 P CB 0.174 31.791 31.700 -0.139 0.000 0.838 243 P HA 0.280 nan 4.420 nan 0.000 0.286 243 P C -2.125 175.059 177.300 -0.192 0.000 1.261 243 P CA -2.332 60.592 63.100 -0.294 0.000 0.821 243 P CB 0.049 31.561 31.700 -0.312 0.000 1.013 244 P HA -0.229 nan 4.420 nan 0.000 0.224 244 P C -1.222 176.019 177.300 -0.098 0.000 1.130 244 P CA 2.827 65.868 63.100 -0.100 0.000 0.976 244 P CB -2.238 29.412 31.700 -0.083 0.000 0.781 245 P HA -0.105 nan 4.420 nan 0.000 0.233 245 P C 0.854 178.108 177.300 -0.077 0.000 1.157 245 P CA 1.126 64.173 63.100 -0.088 0.000 0.764 245 P CB -0.463 31.178 31.700 -0.097 0.000 0.798 246 V N -1.249 118.614 119.914 -0.086 0.000 3.604 246 V HA 0.112 4.235 4.120 0.005 0.000 0.277 246 V C 1.117 177.176 176.094 -0.058 0.000 1.399 246 V CA 0.374 62.635 62.300 -0.066 0.000 1.034 246 V CB -0.113 31.664 31.823 -0.076 0.000 0.824 246 V HN 0.209 nan 8.190 nan 0.000 0.439 247 R N -0.270 120.191 120.500 -0.066 0.000 2.672 247 R HA 0.339 4.682 4.340 0.005 0.000 0.228 247 R C -3.253 173.002 176.300 -0.076 0.000 1.501 247 R CA -0.985 55.076 56.100 -0.065 0.000 1.514 247 R CB 0.125 30.395 30.300 -0.051 0.000 1.489 247 R HN 0.206 nan 8.270 nan 0.000 0.747 248 P HA 0.345 nan 4.420 nan 0.000 0.333 248 P C -0.021 177.231 177.300 -0.080 0.000 1.315 248 P CA -0.349 62.708 63.100 -0.072 0.000 0.746 248 P CB 0.706 32.370 31.700 -0.062 0.000 1.575 249 S N -0.954 114.703 115.700 -0.072 0.000 3.339 249 S HA 0.389 4.861 4.470 0.005 0.000 0.221 249 S C 0.955 175.507 174.600 -0.079 0.000 1.059 249 S CA -0.614 57.539 58.200 -0.078 0.000 1.365 249 S CB -0.795 62.363 63.200 -0.069 0.000 1.065 249 S HN 0.489 nan 8.310 nan 0.000 0.618 250 I N 0.817 121.336 120.570 -0.085 0.000 3.613 250 I HA 0.137 4.309 4.170 0.005 0.000 0.261 250 I C 0.604 176.663 176.117 -0.097 0.000 1.336 250 I CA 0.137 61.371 61.300 -0.111 0.000 1.258 250 I CB -0.210 37.720 38.000 -0.117 0.000 1.378 250 I HN 0.786 nan 8.210 nan 0.000 0.658 251 S N 1.225 116.839 115.700 -0.143 0.000 5.110 251 S HA 0.176 4.649 4.470 0.005 0.000 0.164 251 S C 0.541 175.122 174.600 -0.031 0.000 1.346 251 S CA 0.012 58.173 58.200 -0.065 0.000 1.007 251 S CB -0.372 62.855 63.200 0.046 0.000 2.054 251 S HN 0.808 nan 8.310 nan 0.000 0.659 252 F N 3.970 123.909 119.950 -0.017 0.000 2.769 252 F HA 0.515 5.045 4.527 0.004 0.000 0.304 252 F C 0.358 176.152 175.800 -0.010 0.000 1.158 252 F CA -0.128 57.865 58.000 -0.013 0.000 1.398 252 F CB -1.011 37.983 39.000 -0.011 0.000 1.094 252 F HN 0.499 nan 8.300 nan 0.000 0.553 253 N N -0.548 117.986 118.700 -0.277 0.000 3.614 253 N HA 0.424 5.167 4.740 0.005 0.000 0.341 253 N C -1.247 174.162 175.510 -0.168 0.000 1.567 253 N CA -0.906 51.954 53.050 -0.317 0.000 0.641 253 N CB 0.221 38.325 38.487 -0.637 0.000 2.734 253 N HN 0.130 nan 8.380 nan 0.000 0.604 254 E N -1.286 118.813 120.200 -0.168 0.000 7.466 254 E HA -0.055 4.298 4.350 0.005 0.000 0.222 254 E C -1.453 175.106 176.600 -0.070 0.000 0.883 254 E CA 0.094 56.432 56.400 -0.104 0.000 1.631 254 E CB -0.874 28.777 29.700 -0.082 0.000 0.901 254 E HN 0.556 nan 8.360 nan 0.000 0.264 255 S N 2.980 118.645 115.700 -0.058 0.000 2.565 255 S HA 0.376 4.849 4.470 0.005 0.000 0.274 255 S C -0.317 174.235 174.600 -0.080 0.000 1.309 255 S CA -0.337 57.825 58.200 -0.062 0.000 1.043 255 S CB 1.328 64.504 63.200 -0.041 0.000 0.939 255 S HN 0.454 nan 8.310 nan 0.000 0.504 256 Q N 1.131 120.878 119.800 -0.088 0.000 2.913 256 Q HA -0.120 4.223 4.340 0.005 0.000 0.133 256 Q C 0.363 176.259 176.000 -0.173 0.000 1.532 256 Q CA 0.300 56.047 55.803 -0.093 0.000 0.409 256 Q CB -0.231 28.474 28.738 -0.054 0.000 0.617 256 Q HN 0.872 nan 8.270 nan 0.000 0.320 257 R N 0.383 120.772 120.500 -0.185 0.000 1.775 257 R HA 0.009 4.352 4.340 0.005 0.000 0.034 257 R C 0.391 176.625 176.300 -0.109 0.000 0.819 257 R CA 0.589 56.624 56.100 -0.110 0.000 3.377 257 R CB -0.727 29.542 30.300 -0.051 0.000 0.892 257 R HN 1.226 nan 8.270 nan 0.000 0.564 258 G N 4.228 112.959 108.800 -0.115 0.000 2.761 258 G HA2 -0.197 3.766 3.960 0.005 0.000 0.344 258 G HA3 -0.197 3.766 3.960 0.005 0.000 0.344 258 G C -0.419 174.406 174.900 -0.125 0.000 0.127 258 G CA 0.784 45.828 45.100 -0.092 0.000 1.225 258 G HN 0.438 nan 8.290 nan 0.000 0.515 259 E N 2.122 122.205 120.200 -0.194 0.000 2.179 259 E HA 0.197 4.550 4.350 0.005 0.000 0.275 259 E C 0.452 176.785 176.600 -0.444 0.000 0.945 259 E CA -0.779 55.462 56.400 -0.266 0.000 0.792 259 E CB 1.892 31.468 29.700 -0.206 0.000 1.125 259 E HN 0.658 nan 8.360 nan 0.000 0.397 260 D N 1.266 121.492 120.400 -0.291 0.000 2.352 260 D HA -0.065 4.578 4.640 0.005 0.000 0.238 260 D C 0.102 176.213 176.300 -0.315 0.000 1.286 260 D CA 0.024 53.873 54.000 -0.252 0.000 0.923 260 D CB 0.933 41.649 40.800 -0.139 0.000 1.146 260 D HN 0.227 nan 8.370 nan 0.000 0.471 261 D N 0.240 120.528 120.400 -0.188 0.000 2.249 261 D HA 0.013 4.656 4.640 0.005 0.000 0.205 261 D C 1.857 178.167 176.300 0.017 0.000 0.962 261 D CA 0.412 54.349 54.000 -0.105 0.000 0.860 261 D CB 0.106 40.883 40.800 -0.038 0.000 0.955 261 D HN 0.318 nan 8.370 nan 0.000 0.505 262 L N 0.315 121.547 121.223 0.014 0.000 2.056 262 L HA -0.104 4.238 4.340 0.005 0.000 0.207 262 L C 1.999 178.945 176.870 0.126 0.000 1.078 262 L CA 1.140 56.047 54.840 0.112 0.000 0.749 262 L CB -0.738 41.383 42.059 0.103 0.000 0.901 262 L HN -0.011 nan 8.230 nan 0.000 0.433 263 T N -0.490 114.089 114.554 0.042 0.000 3.052 263 T HA -0.144 4.208 4.350 0.005 0.000 0.270 263 T C 1.375 176.186 174.700 0.186 0.000 1.147 263 T CA 1.044 63.174 62.100 0.050 0.000 1.089 263 T CB -0.325 68.526 68.868 -0.027 0.000 0.875 263 T HN 0.274 nan 8.240 nan 0.000 0.541 264 F N 0.067 120.019 119.950 0.002 0.000 2.727 264 F HA 0.207 4.737 4.527 0.005 0.000 0.302 264 F C 2.163 177.935 175.800 -0.047 0.000 1.097 264 F CA -0.314 57.675 58.000 -0.018 0.000 1.330 264 F CB 0.413 39.407 39.000 -0.010 0.000 1.084 264 F HN -0.016 nan 8.300 nan 0.000 0.578 265 K N 0.394 120.886 120.400 0.153 0.000 2.273 265 K HA 0.221 4.544 4.320 0.005 0.000 0.206 265 K C 1.306 177.867 176.600 -0.065 0.000 1.072 265 K CA 0.245 56.547 56.287 0.025 0.000 0.953 265 K CB -0.417 32.170 32.500 0.145 0.000 1.043 265 K HN 0.216 nan 8.250 nan 0.000 0.477 266 L N 1.757 122.952 121.223 -0.046 0.000 3.084 266 L HA -0.086 4.256 4.340 0.005 0.000 0.266 266 L C 1.405 178.251 176.870 -0.041 0.000 1.149 266 L CA 0.232 55.006 54.840 -0.111 0.000 0.931 266 L CB -0.543 41.472 42.059 -0.072 0.000 1.211 266 L HN 0.132 nan 8.230 nan 0.000 0.428 267 A N -1.622 121.180 122.820 -0.030 0.000 1.878 267 A HA 0.053 4.375 4.320 0.005 0.000 0.201 267 A C 1.746 179.289 177.584 -0.067 0.000 1.684 267 A CA -0.118 51.907 52.037 -0.020 0.000 1.113 267 A CB 0.111 19.128 19.000 0.029 0.000 1.131 267 A HN 0.213 nan 8.150 nan 0.000 0.472 268 D N 0.571 120.890 120.400 -0.135 0.000 2.144 268 D HA -0.050 4.592 4.640 0.005 0.000 0.200 268 D C 1.777 177.993 176.300 -0.140 0.000 0.978 268 D CA 0.970 54.825 54.000 -0.242 0.000 0.833 268 D CB -0.057 40.394 40.800 -0.583 0.000 0.961 268 D HN 0.471 nan 8.370 nan 0.000 0.470 269 I N 0.469 120.964 120.570 -0.125 0.000 2.202 269 I HA -0.209 3.964 4.170 0.005 0.000 0.242 269 I C 2.433 178.541 176.117 -0.015 0.000 1.091 269 I CA 0.557 61.841 61.300 -0.027 0.000 1.368 269 I CB 0.030 37.956 38.000 -0.122 0.000 1.058 269 I HN -0.026 nan 8.210 nan 0.000 0.410 270 L N 0.608 121.804 121.223 -0.045 0.000 2.201 270 L HA -0.210 4.133 4.340 0.005 0.000 0.212 270 L C 2.532 179.390 176.870 -0.019 0.000 1.105 270 L CA 1.272 56.093 54.840 -0.032 0.000 0.775 270 L CB -0.271 41.769 42.059 -0.033 0.000 0.913 270 L HN 0.161 nan 8.230 nan 0.000 0.440 271 K N 0.064 120.458 120.400 -0.011 0.000 1.980 271 K HA -0.114 4.209 4.320 0.005 0.000 0.208 271 K C 1.693 178.307 176.600 0.023 0.000 1.043 271 K CA 1.234 57.519 56.287 -0.003 0.000 0.938 271 K CB -0.212 32.287 32.500 -0.002 0.000 0.724 271 K HN 0.298 nan 8.250 nan 0.000 0.438 272 A N 1.081 123.947 122.820 0.076 0.000 2.263 272 A HA -0.095 4.228 4.320 0.005 0.000 0.205 272 A C 1.291 178.905 177.584 0.051 0.000 1.226 272 A CA 1.098 53.187 52.037 0.088 0.000 0.810 272 A CB -0.625 18.479 19.000 0.174 0.000 0.784 272 A HN 0.475 nan 8.150 nan 0.000 0.486 273 N N -0.331 118.385 118.700 0.026 0.000 2.622 273 N HA 0.130 4.873 4.740 0.005 0.000 0.213 273 N C 1.301 176.806 175.510 -0.008 0.000 1.037 273 N CA 0.571 53.626 53.050 0.008 0.000 0.999 273 N CB -0.017 38.472 38.487 0.003 0.000 1.342 273 N HN 0.281 nan 8.380 nan 0.000 0.465 274 I N 0.264 120.823 120.570 -0.019 0.000 2.916 274 I HA -0.098 4.075 4.170 0.005 0.000 0.267 274 I C 1.602 177.699 176.117 -0.033 0.000 1.263 274 I CA 0.787 62.067 61.300 -0.034 0.000 1.471 274 I CB -0.391 37.569 38.000 -0.066 0.000 1.089 274 I HN 0.211 nan 8.210 nan 0.000 0.468 275 S N 0.600 116.286 115.700 -0.022 0.000 2.524 275 S HA 0.029 4.502 4.470 0.005 0.000 0.216 275 S C 1.684 176.272 174.600 -0.021 0.000 0.987 275 S CA 0.017 58.206 58.200 -0.019 0.000 0.909 275 S CB 0.120 63.316 63.200 -0.007 0.000 0.781 275 S HN 0.354 nan 8.310 nan 0.000 0.521 276 L N 1.827 123.037 121.223 -0.022 0.000 2.127 276 L HA 0.306 4.649 4.340 0.005 0.000 0.203 276 L C 1.684 178.511 176.870 -0.070 0.000 1.080 276 L CA 1.779 56.598 54.840 -0.036 0.000 0.768 276 L CB -0.386 41.658 42.059 -0.025 0.000 0.924 276 L HN 0.218 nan 8.230 nan 0.000 0.444 277 E N -1.362 118.795 120.200 -0.071 0.000 2.502 277 E HA -0.025 4.328 4.350 0.005 0.000 0.194 277 E C 1.067 177.606 176.600 -0.101 0.000 1.062 277 E CA 0.706 57.029 56.400 -0.129 0.000 0.867 277 E CB 0.004 29.672 29.700 -0.053 0.000 0.888 277 E HN 0.446 nan 8.360 nan 0.000 0.510 278 T N 0.389 114.909 114.554 -0.056 0.000 3.081 278 T HA 0.142 4.495 4.350 0.005 0.000 0.250 278 T C 1.032 175.704 174.700 -0.047 0.000 1.100 278 T CA 0.270 62.352 62.100 -0.030 0.000 1.038 278 T CB 0.255 69.111 68.868 -0.020 0.000 0.962 278 T HN 0.089 nan 8.240 nan 0.000 0.516 279 L N 0.973 122.152 121.223 -0.073 0.000 3.073 279 L HA 0.420 4.762 4.340 0.005 0.000 0.242 279 L C 1.181 177.982 176.870 -0.115 0.000 1.317 279 L CA 0.174 54.970 54.840 -0.072 0.000 1.081 279 L CB 0.135 42.163 42.059 -0.051 0.000 1.456 279 L HN 0.150 nan 8.230 nan 0.000 0.525 280 E N -1.776 118.318 120.200 -0.178 0.000 3.566 280 E HA 0.064 4.417 4.350 0.005 0.000 0.241 280 E C 0.979 177.452 176.600 -0.213 0.000 1.208 280 E CA -0.201 56.046 56.400 -0.254 0.000 1.773 280 E CB 0.463 29.912 29.700 -0.419 0.000 1.818 280 E HN 0.419 nan 8.360 nan 0.000 0.865 281 H N 0.868 119.927 119.070 -0.019 0.000 2.556 281 H HA 0.191 4.750 4.556 0.005 0.000 0.268 281 H C 0.049 175.365 175.328 -0.019 0.000 0.996 281 H CA 0.423 56.460 56.048 -0.018 0.000 1.157 281 H CB -0.107 29.646 29.762 -0.015 0.000 1.355 281 H HN 0.025 nan 8.280 nan 0.000 0.597 282 N N -0.325 118.398 118.700 0.038 0.000 2.563 282 N HA 0.284 5.027 4.740 0.005 0.000 0.288 282 N C 0.523 176.026 175.510 -0.011 0.000 1.246 282 N CA -0.368 52.690 53.050 0.014 0.000 0.946 282 N CB 0.391 38.879 38.487 0.001 0.000 1.213 282 N HN 0.113 nan 8.380 nan 0.000 0.578 283 G N -0.501 108.290 108.800 -0.015 0.000 2.151 283 G HA2 0.299 4.261 3.960 0.005 0.000 0.269 283 G HA3 0.299 4.261 3.960 0.005 0.000 0.269 283 G C -0.172 174.699 174.900 -0.049 0.000 1.069 283 G CA -0.139 44.942 45.100 -0.031 0.000 1.080 283 G HN 0.610 nan 8.290 nan 0.000 0.405 284 A N 5.647 128.425 122.820 -0.069 0.000 2.666 284 A HA 0.571 4.894 4.320 0.005 0.000 0.312 284 A C -1.326 176.188 177.584 -0.118 0.000 1.471 284 A CA -1.139 50.847 52.037 -0.085 0.000 1.134 284 A CB 0.100 19.047 19.000 -0.088 0.000 1.129 284 A HN 0.593 nan 8.150 nan 0.000 0.539 285 P HA 0.107 nan 4.420 nan 0.000 0.272 285 P C 0.992 178.196 177.300 -0.159 0.000 1.254 285 P CA -0.312 62.720 63.100 -0.113 0.000 0.795 285 P CB 0.422 32.115 31.700 -0.011 0.000 1.022 286 H N 0.320 119.266 119.070 -0.206 0.000 2.568 286 H HA -0.116 4.443 4.556 0.005 0.000 0.299 286 H C 1.413 176.535 175.328 -0.342 0.000 1.033 286 H CA 1.792 57.606 56.048 -0.390 0.000 1.148 286 H CB -0.621 28.686 29.762 -0.759 0.000 1.446 286 H HN 0.577 nan 8.280 nan 0.000 0.638 287 H N -0.343 118.815 119.070 0.146 0.000 2.529 287 H HA 0.412 4.971 4.556 0.005 0.000 0.277 287 H C 1.422 176.773 175.328 0.037 0.000 1.004 287 H CA 0.556 56.645 56.048 0.067 0.000 1.167 287 H CB 0.343 30.134 29.762 0.048 0.000 1.445 287 H HN 0.308 nan 8.280 nan 0.000 0.554 288 A N 1.629 124.509 122.820 0.101 0.000 2.085 288 A HA 0.106 4.428 4.320 0.005 0.000 0.208 288 A C 2.256 179.857 177.584 0.027 0.000 1.191 288 A CA 0.035 52.113 52.037 0.069 0.000 0.799 288 A CB -0.235 18.804 19.000 0.064 0.000 0.877 288 A HN 0.377 nan 8.150 nan 0.000 0.473 289 I N -2.044 118.529 120.570 0.006 0.000 2.500 289 I HA -0.000 4.173 4.170 0.005 0.000 0.252 289 I C 1.467 177.582 176.117 -0.002 0.000 1.142 289 I CA 1.664 62.957 61.300 -0.012 0.000 1.451 289 I CB -0.210 37.768 38.000 -0.037 0.000 1.093 289 I HN 0.165 nan 8.210 nan 0.000 0.430 290 E N 1.263 121.472 120.200 0.014 0.000 2.418 290 E HA -0.138 4.215 4.350 0.005 0.000 0.197 290 E C 1.794 178.410 176.600 0.026 0.000 1.026 290 E CA 1.010 57.424 56.400 0.023 0.000 0.862 290 E CB 0.002 29.727 29.700 0.041 0.000 0.799 290 E HN 0.669 nan 8.360 nan 0.000 0.518 291 E N 0.314 120.528 120.200 0.024 0.000 2.102 291 E HA 0.026 4.379 4.350 0.005 0.000 0.190 291 E C 1.684 178.283 176.600 -0.003 0.000 0.971 291 E CA 0.714 57.119 56.400 0.009 0.000 0.821 291 E CB 0.097 29.801 29.700 0.007 0.000 0.777 291 E HN 0.178 nan 8.360 nan 0.000 0.460 292 A N 1.178 123.997 122.820 -0.001 0.000 2.252 292 A HA -0.076 4.247 4.320 0.005 0.000 0.207 292 A C 1.365 178.949 177.584 -0.001 0.000 1.194 292 A CA 0.463 52.498 52.037 -0.004 0.000 0.809 292 A CB -0.295 18.703 19.000 -0.004 0.000 0.814 292 A HN 0.173 nan 8.150 nan 0.000 0.482 293 E N -0.190 120.011 120.200 0.002 0.000 2.251 293 E HA -0.056 4.297 4.350 0.005 0.000 0.194 293 E C 1.819 178.430 176.600 0.019 0.000 0.964 293 E CA 0.904 57.306 56.400 0.004 0.000 0.868 293 E CB -0.014 29.683 29.700 -0.004 0.000 0.828 293 E HN 0.631 nan 8.360 nan 0.000 0.481 294 S N 0.991 116.705 115.700 0.023 0.000 2.528 294 S HA 0.006 4.479 4.470 0.005 0.000 0.219 294 S C 1.931 176.557 174.600 0.043 0.000 0.985 294 S CA -0.011 58.217 58.200 0.046 0.000 0.914 294 S CB -0.004 63.222 63.200 0.043 0.000 0.776 294 S HN 0.101 nan 8.310 nan 0.000 0.526 295 L N 1.497 122.722 121.223 0.003 0.000 2.044 295 L HA 0.269 4.612 4.340 0.005 0.000 0.205 295 L C 2.102 178.956 176.870 -0.026 0.000 1.075 295 L CA 1.414 56.232 54.840 -0.037 0.000 0.747 295 L CB -0.709 41.316 42.059 -0.055 0.000 0.903 295 L HN 0.365 nan 8.230 nan 0.000 0.435 296 L N -0.568 120.668 121.223 0.021 0.000 2.275 296 L HA -0.163 4.180 4.340 0.005 0.000 0.215 296 L C 2.393 179.310 176.870 0.079 0.000 1.119 296 L CA 1.700 56.577 54.840 0.061 0.000 0.790 296 L CB -0.461 41.628 42.059 0.049 0.000 0.919 296 L HN 0.576 nan 8.230 nan 0.000 0.443 297 Q N -0.212 119.640 119.800 0.086 0.000 1.941 297 Q HA -0.295 4.048 4.340 0.005 0.000 0.201 297 Q C 2.058 178.149 176.000 0.152 0.000 0.982 297 Q CA 2.421 58.298 55.803 0.124 0.000 0.839 297 Q CB -0.882 27.945 28.738 0.148 0.000 0.904 297 Q HN 0.480 nan 8.270 nan 0.000 0.427 298 F N 0.450 120.395 119.950 -0.008 0.000 2.257 298 F HA -0.287 4.243 4.527 0.005 0.000 0.302 298 F C 1.501 177.319 175.800 0.028 0.000 1.056 298 F CA 2.285 60.268 58.000 -0.029 0.000 1.353 298 F CB -0.170 38.756 39.000 -0.124 0.000 1.064 298 F HN 0.357 nan 8.300 nan 0.000 0.520 299 H N -2.507 116.565 119.070 0.003 0.000 2.486 299 H HA 0.069 4.628 4.556 0.005 0.000 0.287 299 H C 2.066 177.362 175.328 -0.053 0.000 1.010 299 H CA 0.836 56.835 56.048 -0.081 0.000 1.324 299 H CB 0.195 29.956 29.762 -0.002 0.000 1.446 299 H HN 0.131 nan 8.280 nan 0.000 0.537 300 V N 0.673 120.647 119.914 0.101 0.000 3.129 300 V HA -0.020 4.103 4.120 0.005 0.000 0.259 300 V C 2.190 178.327 176.094 0.072 0.000 1.116 300 V CA 1.149 63.498 62.300 0.082 0.000 1.127 300 V CB -0.180 31.680 31.823 0.062 0.000 0.742 300 V HN 0.427 nan 8.190 nan 0.000 0.474 301 A N -0.851 121.989 122.820 0.032 0.000 2.235 301 A HA 0.019 4.342 4.320 0.005 0.000 0.208 301 A C 2.089 179.635 177.584 -0.062 0.000 1.172 301 A CA 1.648 53.686 52.037 0.002 0.000 0.786 301 A CB -0.229 18.805 19.000 0.055 0.000 0.804 301 A HN 0.449 nan 8.150 nan 0.000 0.479 302 T N -3.447 111.067 114.554 -0.068 0.000 3.051 302 T HA 0.027 4.380 4.350 0.005 0.000 0.254 302 T C 1.235 175.928 174.700 -0.012 0.000 0.916 302 T CA 0.544 62.577 62.100 -0.111 0.000 0.894 302 T CB -0.325 68.347 68.868 -0.326 0.000 1.251 302 T HN 0.482 nan 8.240 nan 0.000 0.517 303 Y N 1.538 121.788 120.300 -0.083 0.000 2.616 303 Y HA 0.352 4.904 4.550 0.005 0.000 0.296 303 Y C 1.162 177.043 175.900 -0.032 0.000 1.154 303 Y CA 0.613 58.684 58.100 -0.047 0.000 1.325 303 Y CB -0.219 38.222 38.460 -0.032 0.000 1.007 303 Y HN 0.215 nan 8.280 nan 0.000 0.542 304 M N -0.634 118.930 119.600 -0.061 0.000 2.291 304 M HA 0.124 4.607 4.480 0.005 0.000 0.209 304 M C 0.046 176.298 176.300 -0.080 0.000 1.513 304 M CA -0.367 54.852 55.300 -0.135 0.000 1.855 304 M CB -0.478 32.056 32.600 -0.111 0.000 1.094 304 M HN -0.087 nan 8.290 nan 0.000 0.893 305 D N 1.953 122.340 120.400 -0.022 0.000 2.423 305 D HA 0.051 4.694 4.640 0.005 0.000 0.238 305 D C -0.919 175.362 176.300 -0.031 0.000 1.142 305 D CA 0.406 54.402 54.000 -0.006 0.000 0.884 305 D CB 0.234 41.062 40.800 0.047 0.000 1.199 305 D HN 0.549 nan 8.370 nan 0.000 0.438 306 N N 1.566 120.249 118.700 -0.029 0.000 2.732 306 N HA 0.240 4.983 4.740 0.005 0.000 0.247 306 N C -1.172 174.335 175.510 -0.004 0.000 1.305 306 N CA -0.526 52.510 53.050 -0.023 0.000 0.762 306 N CB 1.356 39.815 38.487 -0.046 0.000 1.361 306 N HN 0.126 nan 8.380 nan 0.000 0.545 307 D N 1.082 121.486 120.400 0.006 0.000 2.760 307 D HA 0.104 4.747 4.640 0.005 0.000 0.285 307 D C 0.333 176.650 176.300 0.028 0.000 1.178 307 D CA 0.402 54.411 54.000 0.014 0.000 1.031 307 D CB 0.464 41.265 40.800 0.000 0.000 1.544 307 D HN 0.536 nan 8.370 nan 0.000 0.468 308 I N 1.898 122.483 120.570 0.026 0.000 2.755 308 I HA -0.233 3.940 4.170 0.005 0.000 0.126 308 I C 0.354 176.498 176.117 0.045 0.000 0.885 308 I CA -0.213 61.108 61.300 0.035 0.000 2.786 308 I CB -1.974 36.052 38.000 0.045 0.000 0.577 308 I HN 0.032 nan 8.210 nan 0.000 0.352 309 A N 3.984 126.824 122.820 0.033 0.000 2.488 309 A HA 0.341 4.664 4.320 0.005 0.000 0.285 309 A C 1.274 178.884 177.584 0.043 0.000 1.059 309 A CA 1.177 53.234 52.037 0.034 0.000 0.977 309 A CB -1.025 17.989 19.000 0.024 0.000 0.908 309 A HN 1.420 nan 8.150 nan 0.000 0.514 310 G N 1.071 109.905 108.800 0.056 0.000 3.394 310 G HA2 0.449 4.412 3.960 0.005 0.000 0.132 310 G HA3 0.449 4.412 3.960 0.005 0.000 0.132 310 G C -0.366 174.578 174.900 0.074 0.000 1.220 310 G CA 0.296 45.436 45.100 0.066 0.000 1.421 310 G HN 0.755 nan 8.290 nan 0.000 0.711 311 Q N 0.488 120.365 119.800 0.128 0.000 2.378 311 Q HA 0.494 4.836 4.340 0.005 0.000 0.262 311 Q C -2.649 173.486 176.000 0.224 0.000 0.978 311 Q CA -1.104 54.783 55.803 0.139 0.000 0.918 311 Q CB 3.484 32.278 28.738 0.094 0.000 1.415 311 Q HN 0.388 nan 8.270 nan 0.000 0.409 312 P HA 0.316 nan 4.420 nan 0.000 0.333 312 P C -0.702 176.706 177.300 0.180 0.000 1.315 312 P CA -0.245 62.938 63.100 0.138 0.000 0.746 312 P CB 0.784 32.528 31.700 0.074 0.000 1.575 313 Q N -1.522 118.353 119.800 0.125 0.000 3.138 313 Q HA 0.757 5.099 4.340 0.005 0.000 0.205 313 Q C -0.257 175.803 176.000 0.100 0.000 1.131 313 Q CA -0.627 55.260 55.803 0.140 0.000 0.558 313 Q CB 0.412 29.223 28.738 0.122 0.000 4.484 313 Q HN 0.534 nan 8.270 nan 0.000 0.324 314 A N -0.980 121.893 122.820 0.088 0.000 4.504 314 A HA 0.510 4.833 4.320 0.005 0.000 0.202 314 A C -0.749 176.870 177.584 0.058 0.000 0.770 314 A CA -0.441 51.636 52.037 0.066 0.000 0.714 314 A CB -0.636 18.402 19.000 0.063 0.000 1.741 314 A HN 0.341 nan 8.150 nan 0.000 0.888 315 L N -0.365 120.881 121.223 0.037 0.000 2.050 315 L HA -0.023 4.320 4.340 0.005 0.000 0.169 315 L C 2.138 179.063 176.870 0.092 0.000 0.678 315 L CA 2.354 57.217 54.840 0.038 0.000 1.441 315 L CB -0.774 41.287 42.059 0.003 0.000 1.341 315 L HN 0.942 nan 8.230 nan 0.000 0.425 316 Q N -2.209 117.647 119.800 0.094 0.000 2.511 316 Q HA 0.060 4.402 4.340 0.005 0.000 0.236 316 Q C 1.600 177.636 176.000 0.060 0.000 0.893 316 Q CA 0.267 56.023 55.803 -0.079 0.000 0.947 316 Q CB 0.335 28.730 28.738 -0.573 0.000 1.110 316 Q HN 0.292 nan 8.270 nan 0.000 0.591 317 K N 0.359 120.906 120.400 0.246 0.000 2.365 317 K HA 0.127 4.450 4.320 0.005 0.000 0.197 317 K C 0.970 177.649 176.600 0.132 0.000 1.042 317 K CA 0.716 57.123 56.287 0.200 0.000 0.987 317 K CB 0.636 33.292 32.500 0.260 0.000 0.779 317 K HN 0.311 nan 8.250 nan 0.000 0.484 318 S N -1.397 114.386 115.700 0.137 0.000 2.721 318 S HA 0.565 5.038 4.470 0.005 0.000 0.296 318 S C 1.290 175.926 174.600 0.059 0.000 1.093 318 S CA -0.345 57.903 58.200 0.081 0.000 0.959 318 S CB 1.103 64.349 63.200 0.076 0.000 1.301 318 S HN 0.085 nan 8.310 nan 0.000 0.550 319 G N -0.199 108.627 108.800 0.044 0.000 2.760 319 G HA2 0.513 4.476 3.960 0.005 0.000 0.214 319 G HA3 0.513 4.476 3.960 0.005 0.000 0.214 319 G C -0.449 174.472 174.900 0.036 0.000 1.212 319 G CA 0.108 45.227 45.100 0.032 0.000 0.858 319 G HN 0.963 nan 8.290 nan 0.000 0.611 320 R N -0.551 119.970 120.500 0.035 0.000 3.321 320 R HA 0.356 4.699 4.340 0.005 0.000 0.271 320 R C -2.921 173.396 176.300 0.029 0.000 0.994 320 R CA -1.085 55.037 56.100 0.037 0.000 0.920 320 R CB -0.470 29.852 30.300 0.035 0.000 1.271 320 R HN 0.306 nan 8.270 nan 0.000 0.531 321 P HA 0.488 nan 4.420 nan 0.000 0.341 321 P C -0.085 177.241 177.300 0.043 0.000 1.368 321 P CA -0.483 62.641 63.100 0.040 0.000 0.835 321 P CB 0.188 31.908 31.700 0.033 0.000 2.010 322 V N -0.558 119.380 119.914 0.039 0.000 5.633 322 V HA 0.247 4.370 4.120 0.005 0.000 0.273 322 V C 1.326 177.434 176.094 0.023 0.000 1.423 322 V CA 0.257 62.581 62.300 0.040 0.000 0.638 322 V CB -0.827 31.012 31.823 0.026 0.000 1.323 322 V HN 0.628 nan 8.190 nan 0.000 0.370 323 K N 0.180 120.585 120.400 0.009 0.000 3.157 323 K HA 0.485 4.808 4.320 0.005 0.000 0.309 323 K C -0.076 176.503 176.600 -0.035 0.000 1.183 323 K CA 0.693 56.974 56.287 -0.011 0.000 1.198 323 K CB -0.048 32.450 32.500 -0.005 0.000 3.317 323 K HN 1.537 nan 8.250 nan 0.000 1.071 324 S N -0.472 115.193 115.700 -0.058 0.000 2.776 324 S HA -0.044 4.428 4.470 0.005 0.000 0.855 324 S C 0.625 175.141 174.600 -0.140 0.000 0.845 324 S CA -0.016 58.122 58.200 -0.104 0.000 1.517 324 S CB -1.804 61.349 63.200 -0.078 0.000 1.091 324 S HN 0.425 nan 8.310 nan 0.000 0.218 325 I N 1.747 122.180 120.570 -0.227 0.000 2.423 325 I HA -0.177 3.996 4.170 0.005 0.000 0.254 325 I C 2.882 178.916 176.117 -0.139 0.000 1.151 325 I CA 1.290 62.470 61.300 -0.200 0.000 1.421 325 I CB -0.467 37.370 38.000 -0.270 0.000 1.079 325 I HN 0.667 nan 8.210 nan 0.000 0.431 326 R N 1.659 122.084 120.500 -0.125 0.000 2.070 326 R HA -0.145 4.198 4.340 0.005 0.000 0.232 326 R C 2.277 178.508 176.300 -0.115 0.000 1.138 326 R CA 2.084 58.112 56.100 -0.119 0.000 0.936 326 R CB -0.600 29.650 30.300 -0.083 0.000 0.839 326 R HN 0.360 nan 8.270 nan 0.000 0.429 327 A N 0.944 123.709 122.820 -0.091 0.000 2.121 327 A HA -0.084 4.238 4.320 0.005 0.000 0.218 327 A C 2.145 179.684 177.584 -0.076 0.000 1.154 327 A CA 0.801 52.791 52.037 -0.079 0.000 0.679 327 A CB -0.402 18.562 19.000 -0.061 0.000 0.795 327 A HN 0.306 nan 8.150 nan 0.000 0.458 328 R N -0.634 119.818 120.500 -0.081 0.000 2.152 328 R HA -0.057 4.286 4.340 0.005 0.000 0.232 328 R C 0.973 177.231 176.300 -0.071 0.000 1.117 328 R CA 1.396 57.453 56.100 -0.071 0.000 0.981 328 R CB -0.239 30.017 30.300 -0.073 0.000 0.870 328 R HN 0.606 nan 8.270 nan 0.000 0.451 329 L N -0.898 120.271 121.223 -0.089 0.000 2.817 329 L HA 0.253 4.596 4.340 0.005 0.000 0.248 329 L C 0.519 177.329 176.870 -0.101 0.000 1.133 329 L CA -0.308 54.477 54.840 -0.092 0.000 0.935 329 L CB 0.141 42.134 42.059 -0.111 0.000 1.266 329 L HN -0.121 nan 8.230 nan 0.000 0.535 330 K N 2.495 122.833 120.400 -0.104 0.000 2.412 330 K HA 0.261 4.583 4.320 0.005 0.000 0.284 330 K C 0.551 177.099 176.600 -0.086 0.000 1.046 330 K CA -0.072 56.153 56.287 -0.104 0.000 0.999 330 K CB 0.954 33.394 32.500 -0.099 0.000 0.941 330 K HN 0.133 nan 8.250 nan 0.000 0.474 331 G N 2.631 111.378 108.800 -0.089 0.000 2.606 331 G HA2 0.168 4.131 3.960 0.005 0.000 0.252 331 G HA3 0.168 4.131 3.960 0.005 0.000 0.252 331 G C -0.664 174.197 174.900 -0.064 0.000 1.206 331 G CA -0.126 44.932 45.100 -0.071 0.000 0.861 331 G HN 0.728 nan 8.290 nan 0.000 0.561 332 K N 0.532 120.904 120.400 -0.046 0.000 6.074 332 K HA -0.185 4.138 4.320 0.005 0.000 0.850 332 K C 0.694 177.270 176.600 -0.040 0.000 2.043 332 K CA 1.433 57.697 56.287 -0.039 0.000 1.609 332 K CB -1.335 31.135 32.500 -0.049 0.000 2.376 332 K HN 0.967 nan 8.250 nan 0.000 0.262 333 E N -0.966 119.215 120.200 -0.031 0.000 4.584 333 E HA -0.234 4.119 4.350 0.005 0.000 0.282 333 E C 0.914 177.493 176.600 -0.035 0.000 0.747 333 E CA 2.075 58.457 56.400 -0.031 0.000 1.563 333 E CB -2.147 27.533 29.700 -0.033 0.000 1.779 333 E HN 1.173 nan 8.360 nan 0.000 0.408 334 G N 0.809 109.583 108.800 -0.042 0.000 2.720 334 G HA2 0.089 4.051 3.960 0.005 0.000 0.237 334 G HA3 0.089 4.051 3.960 0.005 0.000 0.237 334 G C 0.704 175.581 174.900 -0.038 0.000 1.239 334 G CA 0.549 45.620 45.100 -0.048 0.000 0.847 334 G HN 0.239 nan 8.290 nan 0.000 0.593 335 R N 0.246 120.722 120.500 -0.041 0.000 2.285 335 R HA 0.036 4.378 4.340 0.005 0.000 0.213 335 R C 1.786 178.073 176.300 -0.023 0.000 1.068 335 R CA 0.962 57.044 56.100 -0.030 0.000 1.004 335 R CB -0.168 30.113 30.300 -0.031 0.000 0.873 335 R HN 0.527 nan 8.270 nan 0.000 0.467 336 I N -0.657 119.897 120.570 -0.027 0.000 2.681 336 I HA 0.020 4.193 4.170 0.005 0.000 0.247 336 I C 2.188 178.302 176.117 -0.005 0.000 1.091 336 I CA 0.666 61.957 61.300 -0.014 0.000 1.442 336 I CB -0.167 37.823 38.000 -0.016 0.000 1.219 336 I HN -0.021 nan 8.210 nan 0.000 0.451 337 R N 0.265 120.760 120.500 -0.009 0.000 2.062 337 R HA -0.022 4.321 4.340 0.005 0.000 0.231 337 R C 1.887 178.186 176.300 -0.001 0.000 1.136 337 R CA 1.532 57.632 56.100 0.001 0.000 0.948 337 R CB -0.899 29.397 30.300 -0.006 0.000 0.845 337 R HN 0.423 nan 8.270 nan 0.000 0.430 338 G N -0.411 108.383 108.800 -0.011 0.000 3.088 338 G HA2 -0.065 3.898 3.960 0.005 0.000 0.212 338 G HA3 -0.065 3.898 3.960 0.005 0.000 0.212 338 G C 0.805 175.701 174.900 -0.007 0.000 1.173 338 G CA -0.040 45.054 45.100 -0.009 0.000 0.779 338 G HN 0.246 nan 8.290 nan 0.000 0.540 339 N N -0.994 117.703 118.700 -0.006 0.000 2.011 339 N HA 0.206 4.949 4.740 0.005 0.000 0.228 339 N C 1.154 176.665 175.510 0.001 0.000 1.378 339 N CA -0.006 53.042 53.050 -0.004 0.000 0.852 339 N CB 0.925 39.407 38.487 -0.009 0.000 1.111 339 N HN 0.237 nan 8.380 nan 0.000 0.497 340 L N -0.302 120.923 121.223 0.003 0.000 2.658 340 L HA 0.297 4.639 4.340 0.005 0.000 0.201 340 L C 1.419 178.294 176.870 0.009 0.000 1.050 340 L CA 0.101 54.945 54.840 0.007 0.000 0.893 340 L CB 0.044 42.108 42.059 0.008 0.000 1.503 340 L HN -0.067 nan 8.230 nan 0.000 0.485 341 M N 0.224 119.831 119.600 0.011 0.000 2.686 341 M HA 0.209 4.692 4.480 0.005 0.000 0.246 341 M C 0.510 176.816 176.300 0.011 0.000 1.096 341 M CA 0.465 55.773 55.300 0.014 0.000 1.076 341 M CB -0.677 31.937 32.600 0.023 0.000 1.504 341 M HN 0.229 nan 8.290 nan 0.000 0.524 342 G N 0.836 109.641 108.800 0.009 0.000 2.334 342 G HA2 0.418 4.381 3.960 0.005 0.000 0.290 342 G HA3 0.418 4.381 3.960 0.005 0.000 0.290 342 G C -1.154 173.753 174.900 0.012 0.000 1.310 342 G CA -0.746 44.361 45.100 0.010 0.000 1.308 342 G HN 0.118 nan 8.290 nan 0.000 0.612 343 K N 1.275 121.686 120.400 0.018 0.000 2.259 343 K HA 0.521 4.844 4.320 0.005 0.000 0.249 343 K C 0.324 176.942 176.600 0.031 0.000 0.942 343 K CA -0.934 55.365 56.287 0.020 0.000 0.816 343 K CB 2.510 35.024 32.500 0.023 0.000 1.155 343 K HN 0.447 nan 8.250 nan 0.000 0.428 344 R N 1.688 122.203 120.500 0.024 0.000 2.570 344 R HA 0.130 4.473 4.340 0.005 0.000 0.277 344 R C -0.392 175.930 176.300 0.036 0.000 1.039 344 R CA -0.125 55.991 56.100 0.027 0.000 1.065 344 R CB 0.308 30.614 30.300 0.010 0.000 0.964 344 R HN 0.506 nan 8.270 nan 0.000 0.428 345 V N 0.125 120.071 119.914 0.053 0.000 3.040 345 V HA 0.467 4.590 4.120 0.005 0.000 0.312 345 V C -0.566 175.553 176.094 0.042 0.000 1.115 345 V CA -1.207 61.135 62.300 0.070 0.000 0.998 345 V CB 2.118 34.020 31.823 0.132 0.000 1.042 345 V HN 0.635 nan 8.190 nan 0.000 0.433 346 D N 0.920 121.343 120.400 0.038 0.000 2.384 346 D HA 0.405 5.048 4.640 0.005 0.000 0.244 346 D C -0.029 176.301 176.300 0.050 0.000 1.251 346 D CA 0.379 54.322 54.000 -0.094 0.000 0.961 346 D CB 0.151 40.806 40.800 -0.241 0.000 1.116 346 D HN 0.734 nan 8.370 nan 0.000 0.484 347 F N -0.565 119.409 119.950 0.040 0.000 2.555 347 F HA -0.251 4.278 4.527 0.004 0.000 0.252 347 F C 0.449 176.260 175.800 0.018 0.000 1.036 347 F CA 0.122 58.153 58.000 0.052 0.000 0.963 347 F CB -1.823 37.225 39.000 0.081 0.000 1.076 347 F HN 0.205 nan 8.300 nan 0.000 0.832 348 S N -0.118 115.609 115.700 0.045 0.000 2.596 348 S HA 1.004 5.477 4.470 0.005 0.000 0.270 348 S C -0.731 173.841 174.600 -0.046 0.000 1.155 348 S CA -0.382 57.757 58.200 -0.103 0.000 0.827 348 S CB 2.536 65.623 63.200 -0.187 0.000 1.130 348 S HN 1.638 nan 8.310 nan 0.000 0.467 349 A N 1.016 123.805 122.820 -0.051 0.000 2.605 349 A HA 0.877 5.200 4.320 0.005 0.000 0.294 349 A C -1.155 176.503 177.584 0.124 0.000 1.062 349 A CA -0.748 51.334 52.037 0.073 0.000 0.682 349 A CB 1.679 20.801 19.000 0.204 0.000 1.278 349 A HN 0.939 nan 8.150 nan 0.000 0.410 350 R N 0.652 121.213 120.500 0.102 0.000 2.621 350 R HA 0.810 5.153 4.340 0.005 0.000 0.284 350 R C -1.360 174.938 176.300 -0.004 0.000 0.998 350 R CA -0.034 56.128 56.100 0.103 0.000 0.895 350 R CB 2.262 32.572 30.300 0.017 0.000 1.195 350 R HN 0.984 nan 8.270 nan 0.000 0.450 351 T N 0.194 114.727 114.554 -0.035 0.000 2.711 351 T HA 0.208 4.561 4.350 0.005 0.000 0.302 351 T C -0.550 174.108 174.700 -0.071 0.000 1.373 351 T CA -0.708 61.282 62.100 -0.184 0.000 1.000 351 T CB 1.019 69.590 68.868 -0.496 0.000 1.483 351 T HN 0.240 nan 8.240 nan 0.000 0.499 352 V N 1.534 121.402 119.914 -0.078 0.000 3.178 352 V HA 0.280 4.402 4.120 0.005 0.000 0.306 352 V C 0.197 176.318 176.094 0.046 0.000 1.107 352 V CA 0.192 62.489 62.300 -0.005 0.000 1.195 352 V CB -0.321 31.489 31.823 -0.021 0.000 0.993 352 V HN 0.756 nan 8.190 nan 0.000 0.493 353 I N 0.828 121.484 120.570 0.143 0.000 2.647 353 I HA 0.861 5.034 4.170 0.005 0.000 0.295 353 I C -0.201 176.031 176.117 0.192 0.000 1.078 353 I CA -0.392 61.046 61.300 0.231 0.000 1.048 353 I CB 2.264 40.481 38.000 0.361 0.000 1.239 353 I HN 0.624 nan 8.210 nan 0.000 0.421 354 S N 2.741 118.387 115.700 -0.090 0.000 2.667 354 S HA 0.933 5.405 4.470 0.005 0.000 0.292 354 S C -0.233 173.705 174.600 -1.104 0.000 1.126 354 S CA -0.604 57.204 58.200 -0.654 0.000 0.881 354 S CB 1.410 64.395 63.200 -0.359 0.000 1.132 354 S HN 1.083 nan 8.310 nan 0.000 0.492 355 G N -0.589 107.248 108.800 -1.604 0.000 2.437 355 G HA2 0.584 4.546 3.960 0.005 0.000 0.319 355 G HA3 0.584 4.546 3.960 0.005 0.000 0.319 355 G C -1.518 173.169 174.900 -0.356 0.000 1.158 355 G CA -0.349 44.184 45.100 -0.945 0.000 0.899 355 G HN 0.653 nan 8.290 nan 0.000 0.502 356 D N 0.753 121.065 120.400 -0.148 0.000 2.337 356 D HA 0.286 4.929 4.640 0.005 0.000 0.238 356 D C -1.957 174.333 176.300 -0.016 0.000 1.331 356 D CA -1.342 52.612 54.000 -0.077 0.000 0.967 356 D CB 2.037 42.800 40.800 -0.063 0.000 1.382 356 D HN -0.003 nan 8.370 nan 0.000 0.549 357 P HA -0.019 nan 4.420 nan 0.000 0.227 357 P C 0.470 177.777 177.300 0.012 0.000 1.145 357 P CA 0.787 63.888 63.100 0.002 0.000 0.769 357 P CB 0.308 31.994 31.700 -0.023 0.000 0.769 358 N N -1.623 117.093 118.700 0.027 0.000 2.200 358 N HA 0.144 4.887 4.740 0.005 0.000 0.224 358 N C 0.121 175.663 175.510 0.054 0.000 1.179 358 N CA -0.031 53.056 53.050 0.062 0.000 0.877 358 N CB 0.820 39.364 38.487 0.096 0.000 1.072 358 N HN 0.206 nan 8.380 nan 0.000 0.519 359 L N 0.966 122.210 121.223 0.035 0.000 2.399 359 L HA 0.269 4.612 4.340 0.005 0.000 0.265 359 L C 1.042 177.935 176.870 0.039 0.000 1.089 359 L CA -0.435 54.424 54.840 0.031 0.000 0.802 359 L CB 0.988 43.056 42.059 0.015 0.000 1.180 359 L HN -0.082 nan 8.230 nan 0.000 0.454 360 E N 0.382 120.602 120.200 0.033 0.000 2.397 360 E HA 0.003 4.356 4.350 0.005 0.000 0.254 360 E C 0.739 177.348 176.600 0.016 0.000 1.231 360 E CA -0.339 56.081 56.400 0.033 0.000 0.954 360 E CB 0.672 30.386 29.700 0.024 0.000 1.024 360 E HN 0.351 nan 8.360 nan 0.000 0.481 361 L N 1.780 122.998 121.223 -0.007 0.000 1.955 361 L HA -0.204 4.139 4.340 0.005 0.000 0.213 361 L C 1.370 178.179 176.870 -0.101 0.000 1.072 361 L CA 2.269 57.056 54.840 -0.089 0.000 0.755 361 L CB -0.769 41.183 42.059 -0.178 0.000 0.888 361 L HN 0.572 nan 8.230 nan 0.000 0.432 362 D N -0.993 119.329 120.400 -0.129 0.000 2.344 362 D HA -0.054 4.589 4.640 0.005 0.000 0.242 362 D C 0.395 176.637 176.300 -0.097 0.000 1.159 362 D CA -0.006 53.856 54.000 -0.231 0.000 0.859 362 D CB -0.218 40.470 40.800 -0.187 0.000 0.925 362 D HN 0.506 nan 8.370 nan 0.000 0.510 363 Q N -0.217 119.597 119.800 0.024 0.000 2.180 363 Q HA 0.532 4.874 4.340 0.005 0.000 0.241 363 Q C -1.009 175.056 176.000 0.109 0.000 0.970 363 Q CA -0.987 54.849 55.803 0.055 0.000 0.919 363 Q CB 3.026 31.774 28.738 0.015 0.000 1.222 363 Q HN 0.048 nan 8.270 nan 0.000 0.482 364 V N 0.330 120.201 119.914 -0.071 0.000 2.567 364 V HA 0.533 4.655 4.120 0.005 0.000 0.298 364 V C -0.755 175.232 176.094 -0.179 0.000 1.047 364 V CA -0.364 61.739 62.300 -0.329 0.000 0.880 364 V CB 1.517 32.901 31.823 -0.732 0.000 1.009 364 V HN 0.819 nan 8.190 nan 0.000 0.429 365 G N 5.690 114.431 108.800 -0.099 0.000 2.360 365 G HA2 0.504 4.467 3.960 0.005 0.000 0.279 365 G HA3 0.504 4.467 3.960 0.005 0.000 0.279 365 G C -0.679 174.305 174.900 0.139 0.000 1.189 365 G CA -0.158 44.949 45.100 0.010 0.000 0.941 365 G HN 0.851 nan 8.290 nan 0.000 0.445 366 V N 6.091 126.081 119.914 0.127 0.000 2.357 366 V HA 0.255 4.378 4.120 0.005 0.000 0.284 366 V C -1.952 174.193 176.094 0.085 0.000 1.018 366 V CA -1.685 60.759 62.300 0.241 0.000 0.841 366 V CB 2.186 34.114 31.823 0.176 0.000 0.991 366 V HN 0.553 nan 8.190 nan 0.000 0.437 367 P HA -0.042 nan 4.420 nan 0.000 0.263 367 P C 0.684 177.940 177.300 -0.073 0.000 1.175 367 P CA 0.330 63.401 63.100 -0.049 0.000 0.761 367 P CB 0.553 32.190 31.700 -0.105 0.000 0.794 368 K N 2.833 123.156 120.400 -0.128 0.000 2.280 368 K HA -0.151 4.172 4.320 0.005 0.000 0.202 368 K C 1.808 178.333 176.600 -0.125 0.000 1.047 368 K CA 1.737 57.904 56.287 -0.199 0.000 0.942 368 K CB -0.176 32.189 32.500 -0.224 0.000 0.739 368 K HN 0.465 nan 8.250 nan 0.000 0.457 369 S N 0.059 115.709 115.700 -0.082 0.000 2.395 369 S HA -0.060 4.412 4.470 0.005 0.000 0.225 369 S C 1.906 176.503 174.600 -0.005 0.000 1.027 369 S CA 0.719 58.891 58.200 -0.046 0.000 0.965 369 S CB -0.246 62.924 63.200 -0.051 0.000 0.812 369 S HN 0.354 nan 8.310 nan 0.000 0.482 370 I N 1.972 122.543 120.570 0.002 0.000 2.353 370 I HA 0.002 4.175 4.170 0.005 0.000 0.248 370 I C 3.045 179.229 176.117 0.112 0.000 1.119 370 I CA 0.862 62.198 61.300 0.060 0.000 1.417 370 I CB -0.583 37.468 38.000 0.086 0.000 1.078 370 I HN 0.435 nan 8.210 nan 0.000 0.421 371 A N 0.627 123.495 122.820 0.081 0.000 1.940 371 A HA -0.231 4.092 4.320 0.005 0.000 0.219 371 A C 2.290 180.005 177.584 0.220 0.000 1.176 371 A CA 1.629 53.739 52.037 0.121 0.000 0.631 371 A CB -0.409 18.566 19.000 -0.042 0.000 0.814 371 A HN 0.297 nan 8.150 nan 0.000 0.446 372 K N -1.115 119.363 120.400 0.131 0.000 2.366 372 K HA -0.025 4.298 4.320 0.005 0.000 0.198 372 K C 1.565 178.397 176.600 0.387 0.000 1.044 372 K CA 1.404 57.778 56.287 0.145 0.000 0.973 372 K CB 0.013 32.503 32.500 -0.017 0.000 0.767 372 K HN 0.630 nan 8.250 nan 0.000 0.475 373 T N 0.649 115.349 114.554 0.243 0.000 3.004 373 T HA 0.141 4.494 4.350 0.005 0.000 0.243 373 T C 0.945 175.769 174.700 0.207 0.000 1.020 373 T CA 0.032 62.244 62.100 0.187 0.000 1.145 373 T CB 0.111 69.043 68.868 0.108 0.000 0.876 373 T HN -0.028 nan 8.240 nan 0.000 0.449 374 L N 1.912 123.274 121.223 0.233 0.000 2.380 374 L HA 0.417 4.760 4.340 0.005 0.000 0.273 374 L C 0.379 177.442 176.870 0.322 0.000 1.138 374 L CA -0.078 54.935 54.840 0.288 0.000 0.832 374 L CB 0.793 43.011 42.059 0.265 0.000 1.124 374 L HN 0.110 nan 8.230 nan 0.000 0.454 375 T N 1.194 115.992 114.554 0.407 0.000 2.916 375 T HA 0.543 4.896 4.350 0.005 0.000 0.292 375 T C -1.732 173.107 174.700 0.232 0.000 1.064 375 T CA -0.394 61.887 62.100 0.301 0.000 1.011 375 T CB 1.472 70.527 68.868 0.312 0.000 1.152 375 T HN 0.399 nan 8.240 nan 0.000 0.510 376 Y N 3.173 123.489 120.300 0.027 0.000 2.433 376 Y HA 0.526 5.078 4.550 0.004 0.000 0.337 376 Y C -2.763 173.120 175.900 -0.028 0.000 1.026 376 Y CA -2.381 55.687 58.100 -0.053 0.000 1.037 376 Y CB 2.033 40.477 38.460 -0.027 0.000 1.245 376 Y HN 0.329 nan 8.280 nan 0.000 0.443 377 P HA 0.171 nan 4.420 nan 0.000 0.281 377 P C -1.245 175.615 177.300 -0.734 0.000 1.252 377 P CA 0.049 62.815 63.100 -0.557 0.000 0.778 377 P CB 1.507 32.938 31.700 -0.449 0.000 0.895 378 E N 2.235 122.281 120.200 -0.257 0.000 2.199 378 E HA 0.342 4.695 4.350 0.005 0.000 0.265 378 E C -0.891 175.701 176.600 -0.012 0.000 0.882 378 E CA -0.959 55.398 56.400 -0.072 0.000 0.759 378 E CB 1.518 31.281 29.700 0.104 0.000 1.148 378 E HN 0.070 nan 8.360 nan 0.000 0.412 379 V N 3.800 123.722 119.914 0.013 0.000 2.811 379 V HA 0.092 4.215 4.120 0.005 0.000 0.302 379 V C 0.193 176.322 176.094 0.060 0.000 1.063 379 V CA -0.438 61.887 62.300 0.042 0.000 1.088 379 V CB 1.451 33.297 31.823 0.039 0.000 0.982 379 V HN 0.524 nan 8.190 nan 0.000 0.485 380 V N 4.302 124.259 119.914 0.071 0.000 2.498 380 V HA 0.509 4.632 4.120 0.005 0.000 0.279 380 V C 0.324 176.478 176.094 0.101 0.000 1.048 380 V CA 0.511 62.850 62.300 0.064 0.000 0.967 380 V CB 1.592 33.428 31.823 0.022 0.000 0.988 380 V HN 1.075 nan 8.190 nan 0.000 0.473 381 T N 6.712 121.315 114.554 0.081 0.000 2.942 381 T HA 0.376 4.729 4.350 0.005 0.000 0.327 381 T C -2.371 172.231 174.700 -0.164 0.000 1.360 381 T CA -0.735 61.282 62.100 -0.137 0.000 1.055 381 T CB 2.209 70.918 68.868 -0.265 0.000 1.261 381 T HN 0.389 nan 8.240 nan 0.000 0.485 382 P HA 0.008 nan 4.420 nan 0.000 0.225 382 P C 0.609 177.869 177.300 -0.066 0.000 1.148 382 P CA 1.044 64.051 63.100 -0.155 0.000 0.779 382 P CB -0.112 31.397 31.700 -0.319 0.000 0.780 383 Y N -0.038 120.281 120.300 0.032 0.000 2.395 383 Y HA -0.053 4.500 4.550 0.005 0.000 0.293 383 Y C 1.990 177.914 175.900 0.040 0.000 1.123 383 Y CA 0.596 58.712 58.100 0.027 0.000 1.227 383 Y CB -0.983 37.485 38.460 0.014 0.000 1.012 383 Y HN 0.126 nan 8.280 nan 0.000 0.552 384 N N 0.166 118.951 118.700 0.141 0.000 2.273 384 N HA -0.040 4.703 4.740 0.005 0.000 0.192 384 N C 1.290 176.839 175.510 0.066 0.000 1.132 384 N CA 0.117 53.232 53.050 0.109 0.000 0.887 384 N CB -0.858 37.697 38.487 0.113 0.000 1.048 384 N HN 0.448 nan 8.380 nan 0.000 0.490 385 I N 1.177 121.780 120.570 0.054 0.000 2.236 385 I HA -0.337 3.836 4.170 0.005 0.000 0.249 385 I C 0.770 176.888 176.117 0.001 0.000 1.102 385 I CA 1.862 63.171 61.300 0.015 0.000 1.365 385 I CB 0.005 38.005 38.000 0.001 0.000 1.051 385 I HN 0.075 nan 8.210 nan 0.000 0.420 386 D N 0.193 120.605 120.400 0.020 0.000 2.097 386 D HA -0.229 4.414 4.640 0.005 0.000 0.197 386 D C 2.145 178.454 176.300 0.016 0.000 0.984 386 D CA 1.125 55.132 54.000 0.012 0.000 0.826 386 D CB -0.439 40.373 40.800 0.020 0.000 0.973 386 D HN 0.444 nan 8.370 nan 0.000 0.460 387 R N 0.788 121.306 120.500 0.030 0.000 2.096 387 R HA -0.058 4.285 4.340 0.005 0.000 0.235 387 R C 2.518 178.833 176.300 0.025 0.000 1.127 387 R CA 0.620 56.738 56.100 0.030 0.000 0.968 387 R CB -0.202 30.123 30.300 0.042 0.000 0.861 387 R HN 0.149 nan 8.270 nan 0.000 0.440 388 L N -0.086 121.153 121.223 0.027 0.000 2.044 388 L HA -0.122 4.221 4.340 0.005 0.000 0.205 388 L C 2.364 179.238 176.870 0.007 0.000 1.075 388 L CA 1.736 56.590 54.840 0.024 0.000 0.747 388 L CB -0.552 41.526 42.059 0.031 0.000 0.903 388 L HN 0.288 nan 8.230 nan 0.000 0.435 389 T N -1.246 113.303 114.554 -0.009 0.000 2.759 389 T HA -0.290 4.063 4.350 0.005 0.000 0.269 389 T C 1.747 176.442 174.700 -0.009 0.000 1.042 389 T CA 1.540 63.629 62.100 -0.018 0.000 1.140 389 T CB -0.239 68.605 68.868 -0.040 0.000 0.864 389 T HN 0.190 nan 8.240 nan 0.000 0.455 390 Q N 1.090 120.888 119.800 -0.004 0.000 2.124 390 Q HA 0.044 4.387 4.340 0.005 0.000 0.202 390 Q C 2.026 178.026 176.000 0.000 0.000 0.977 390 Q CA 1.413 57.215 55.803 -0.001 0.000 0.850 390 Q CB -0.751 27.988 28.738 0.003 0.000 0.901 390 Q HN 0.551 nan 8.270 nan 0.000 0.429 391 L N -0.827 120.398 121.223 0.003 0.000 2.217 391 L HA -0.081 4.262 4.340 0.005 0.000 0.211 391 L C 2.175 179.043 176.870 -0.003 0.000 1.107 391 L CA 0.373 55.214 54.840 0.003 0.000 0.783 391 L CB -0.242 41.822 42.059 0.008 0.000 0.919 391 L HN 0.106 nan 8.230 nan 0.000 0.442 392 V N -0.179 119.733 119.914 -0.004 0.000 2.453 392 V HA -0.243 3.880 4.120 0.005 0.000 0.247 392 V C 2.669 178.756 176.094 -0.011 0.000 1.048 392 V CA 1.516 63.810 62.300 -0.010 0.000 1.049 392 V CB -0.369 31.456 31.823 0.004 0.000 0.672 392 V HN 0.403 nan 8.190 nan 0.000 0.457 393 R N 0.623 121.120 120.500 -0.006 0.000 2.091 393 R HA -0.176 4.167 4.340 0.005 0.000 0.238 393 R C 2.170 178.467 176.300 -0.005 0.000 1.136 393 R CA 2.030 58.127 56.100 -0.005 0.000 0.959 393 R CB -0.298 30.000 30.300 -0.005 0.000 0.856 393 R HN 0.579 nan 8.270 nan 0.000 0.437 394 N N -0.175 118.524 118.700 -0.001 0.000 2.120 394 N HA -0.071 4.672 4.740 0.005 0.000 0.188 394 N C 1.166 176.681 175.510 0.009 0.000 1.024 394 N CA 1.400 54.453 53.050 0.005 0.000 0.852 394 N CB -0.400 38.093 38.487 0.010 0.000 1.003 394 N HN 0.436 nan 8.380 nan 0.000 0.424 395 G N 0.845 109.644 108.800 -0.002 0.000 2.645 395 G HA2 -0.216 3.747 3.960 0.005 0.000 0.239 395 G HA3 -0.216 3.747 3.960 0.005 0.000 0.239 395 G C -2.141 172.768 174.900 0.016 0.000 1.331 395 G CA 0.094 45.178 45.100 -0.027 0.000 0.890 395 G HN 0.216 nan 8.290 nan 0.000 0.572 396 P HA 0.181 nan 4.420 nan 0.000 0.257 396 P C 0.303 177.687 177.300 0.140 0.000 1.281 396 P CA 1.146 64.240 63.100 -0.010 0.000 0.826 396 P CB -0.184 31.423 31.700 -0.156 0.000 1.237 397 N N -1.176 117.597 118.700 0.122 0.000 2.600 397 N HA 0.091 4.834 4.740 0.005 0.000 0.246 397 N C -0.881 174.643 175.510 0.023 0.000 1.454 397 N CA -0.164 52.926 53.050 0.065 0.000 1.120 397 N CB -0.401 38.101 38.487 0.025 0.000 1.478 397 N HN -0.113 nan 8.380 nan 0.000 0.541 398 E N 0.264 120.477 120.200 0.021 0.000 2.294 398 E HA 0.093 4.446 4.350 0.005 0.000 0.272 398 E C -0.185 176.396 176.600 -0.031 0.000 0.896 398 E CA -0.368 56.031 56.400 -0.001 0.000 0.802 398 E CB 1.582 31.287 29.700 0.008 0.000 1.267 398 E HN 0.330 nan 8.360 nan 0.000 0.406 399 H N 4.934 123.929 119.070 -0.124 0.000 3.262 399 H HA -0.124 4.434 4.556 0.004 0.000 0.257 399 H C -1.697 173.557 175.328 -0.124 0.000 0.987 399 H CA 2.245 58.169 56.048 -0.206 0.000 1.260 399 H CB -1.063 28.608 29.762 -0.152 0.000 1.909 399 H HN 0.328 nan 8.280 nan 0.000 1.077 400 P HA 0.173 nan 4.420 nan 0.000 0.259 400 P C -0.457 176.751 177.300 -0.153 0.000 1.211 400 P CA 1.281 64.035 63.100 -0.577 0.000 0.810 400 P CB 0.579 32.135 31.700 -0.240 0.000 0.815 401 G N 1.690 110.561 108.800 0.118 0.000 2.753 401 G HA2 0.804 4.767 3.960 0.005 0.000 0.303 401 G HA3 0.804 4.767 3.960 0.005 0.000 0.303 401 G C -1.886 173.033 174.900 0.032 0.000 1.242 401 G CA -0.249 44.986 45.100 0.227 0.000 0.810 401 G HN 0.534 nan 8.290 nan 0.000 0.515 402 A N -0.600 122.096 122.820 -0.205 0.000 2.608 402 A HA 0.765 5.088 4.320 0.005 0.000 0.292 402 A C -1.433 175.966 177.584 -0.307 0.000 1.066 402 A CA -0.587 51.254 52.037 -0.326 0.000 0.676 402 A CB 1.830 20.752 19.000 -0.129 0.000 1.277 402 A HN 1.086 nan 8.150 nan 0.000 0.413 403 K N 0.660 120.875 120.400 -0.308 0.000 2.435 403 K HA 0.686 5.008 4.320 0.005 0.000 0.251 403 K C -1.351 175.055 176.600 -0.323 0.000 0.954 403 K CA -0.632 55.391 56.287 -0.441 0.000 0.820 403 K CB 1.347 33.471 32.500 -0.628 0.000 1.292 403 K HN 1.206 nan 8.250 nan 0.000 0.436 404 Y N -1.356 118.899 120.300 -0.074 0.000 2.630 404 Y HA -0.214 4.341 4.550 0.009 0.000 0.041 404 Y C -0.492 175.386 175.900 -0.036 0.000 1.819 404 Y CA -0.488 57.580 58.100 -0.054 0.000 1.325 404 Y CB -1.192 37.241 38.460 -0.045 0.000 1.976 404 Y HN 0.335 nan 8.280 nan 0.000 0.273 405 V N 5.628 125.607 119.914 0.108 0.000 2.472 405 V HA 0.581 4.704 4.120 0.005 0.000 0.290 405 V C 0.278 176.385 176.094 0.021 0.000 1.037 405 V CA -0.748 61.607 62.300 0.093 0.000 0.908 405 V CB 1.664 33.564 31.823 0.129 0.000 0.985 405 V HN 0.449 nan 8.190 nan 0.000 0.454 406 I N 4.863 125.425 120.570 -0.014 0.000 2.378 406 I HA 0.537 4.709 4.170 0.005 0.000 0.291 406 I C 0.433 176.361 176.117 -0.316 0.000 0.992 406 I CA -0.152 61.068 61.300 -0.132 0.000 1.154 406 I CB 1.482 39.432 38.000 -0.083 0.000 1.315 406 I HN 0.514 nan 8.210 nan 0.000 0.448 407 R N 2.717 122.887 120.500 -0.549 0.000 2.527 407 R HA 0.280 4.623 4.340 0.005 0.000 0.243 407 R C 0.575 176.531 176.300 -0.574 0.000 1.206 407 R CA -0.680 54.787 56.100 -1.055 0.000 1.134 407 R CB 0.456 30.122 30.300 -1.057 0.000 1.347 407 R HN 0.527 nan 8.270 nan 0.000 0.580 408 D N 0.205 120.318 120.400 -0.479 0.000 2.103 408 D HA -0.181 4.462 4.640 0.005 0.000 0.190 408 D C 1.800 178.049 176.300 -0.085 0.000 0.997 408 D CA 2.336 56.288 54.000 -0.080 0.000 0.833 408 D CB -0.434 40.406 40.800 0.067 0.000 0.961 408 D HN 0.507 nan 8.370 nan 0.000 0.447 409 S N -0.680 114.951 115.700 -0.115 0.000 2.440 409 S HA -0.009 4.464 4.470 0.005 0.000 0.238 409 S C 1.795 176.334 174.600 -0.103 0.000 1.010 409 S CA 1.200 59.348 58.200 -0.087 0.000 0.972 409 S CB -0.378 62.771 63.200 -0.085 0.000 0.774 409 S HN 0.471 nan 8.310 nan 0.000 0.501 410 G N 1.460 110.164 108.800 -0.159 0.000 2.171 410 G HA2 -0.161 3.802 3.960 0.005 0.000 0.238 410 G HA3 -0.161 3.802 3.960 0.005 0.000 0.238 410 G C -0.617 174.206 174.900 -0.129 0.000 1.039 410 G CA 0.016 45.034 45.100 -0.138 0.000 0.759 410 G HN 0.542 nan 8.290 nan 0.000 0.501 411 D N -0.774 119.533 120.400 -0.156 0.000 2.387 411 D HA 0.501 5.143 4.640 0.005 0.000 0.251 411 D C 0.861 177.089 176.300 -0.121 0.000 1.141 411 D CA -0.484 53.442 54.000 -0.123 0.000 0.987 411 D CB 0.651 41.381 40.800 -0.116 0.000 1.116 411 D HN 0.166 nan 8.370 nan 0.000 0.491 412 R N 1.003 121.462 120.500 -0.068 0.000 3.057 412 R HA 0.287 4.630 4.340 0.005 0.000 0.291 412 R C -0.322 176.017 176.300 0.065 0.000 1.394 412 R CA -0.489 55.601 56.100 -0.017 0.000 1.630 412 R CB -0.339 29.938 30.300 -0.039 0.000 1.268 412 R HN 0.420 nan 8.270 nan 0.000 0.621 413 I N 1.965 122.546 120.570 0.018 0.000 2.943 413 I HA -0.160 4.013 4.170 0.005 0.000 0.296 413 I C 0.442 176.609 176.117 0.084 0.000 1.220 413 I CA 0.831 62.150 61.300 0.032 0.000 1.409 413 I CB 0.032 38.032 38.000 -0.000 0.000 1.374 413 I HN 0.256 nan 8.210 nan 0.000 0.545 414 D N 7.900 128.333 120.400 0.056 0.000 2.485 414 D HA 0.217 4.860 4.640 0.005 0.000 0.229 414 D C 0.906 177.069 176.300 -0.228 0.000 1.101 414 D CA -0.434 53.526 54.000 -0.066 0.000 0.906 414 D CB 0.782 41.629 40.800 0.079 0.000 1.019 414 D HN 0.430 nan 8.370 nan 0.000 0.516 415 L N 3.118 124.161 121.223 -0.300 0.000 2.651 415 L HA -0.129 4.214 4.340 0.005 0.000 0.236 415 L C 2.373 179.081 176.870 -0.271 0.000 1.173 415 L CA 0.575 55.277 54.840 -0.230 0.000 0.843 415 L CB -0.477 41.461 42.059 -0.202 0.000 0.964 415 L HN 0.336 nan 8.230 nan 0.000 0.454 416 R N -0.540 119.687 120.500 -0.455 0.000 2.127 416 R HA 0.001 4.344 4.340 0.005 0.000 0.217 416 R C 0.673 176.718 176.300 -0.425 0.000 1.074 416 R CA 0.564 56.350 56.100 -0.524 0.000 0.991 416 R CB -0.306 29.545 30.300 -0.748 0.000 0.895 416 R HN 0.290 nan 8.270 nan 0.000 0.450 417 Y N 1.026 121.297 120.300 -0.047 0.000 3.211 417 Y HA 0.282 4.830 4.550 -0.004 0.000 0.345 417 Y C 0.447 176.334 175.900 -0.022 0.000 1.334 417 Y CA -0.775 57.310 58.100 -0.025 0.000 0.933 417 Y CB 0.212 38.664 38.460 -0.013 0.000 1.250 417 Y HN 0.072 nan 8.280 nan 0.000 0.831 418 S N 0.794 116.601 115.700 0.179 0.000 3.131 418 S HA -0.167 4.305 4.470 0.005 0.000 0.767 418 S C 0.363 174.996 174.600 0.055 0.000 0.744 418 S CA 0.330 58.581 58.200 0.084 0.000 1.466 418 S CB -0.658 62.569 63.200 0.045 0.000 1.035 418 S HN 0.810 nan 8.310 nan 0.000 0.730 419 K N 3.943 124.371 120.400 0.047 0.000 2.442 419 K HA -0.074 4.249 4.320 0.005 0.000 0.200 419 K C 1.143 177.759 176.600 0.026 0.000 1.045 419 K CA 1.418 57.725 56.287 0.033 0.000 0.937 419 K CB -0.133 32.383 32.500 0.026 0.000 0.757 419 K HN 0.650 nan 8.250 nan 0.000 0.474 420 R N -0.008 120.508 120.500 0.026 0.000 2.700 420 R HA 0.254 4.597 4.340 0.005 0.000 0.399 420 R C 0.917 177.231 176.300 0.022 0.000 1.115 420 R CA 0.184 56.299 56.100 0.025 0.000 1.058 420 R CB 0.953 31.273 30.300 0.032 0.000 1.389 420 R HN 0.239 nan 8.270 nan 0.000 0.582 421 A N 0.322 123.149 122.820 0.012 0.000 2.015 421 A HA -0.043 4.279 4.320 0.005 0.000 0.219 421 A C 2.026 179.612 177.584 0.003 0.000 1.163 421 A CA 1.737 53.774 52.037 -0.001 0.000 0.646 421 A CB -0.294 18.696 19.000 -0.017 0.000 0.806 421 A HN 0.457 nan 8.150 nan 0.000 0.448 422 G N -0.588 108.217 108.800 0.007 0.000 2.396 422 G HA2 -0.022 3.940 3.960 0.005 0.000 0.214 422 G HA3 -0.022 3.940 3.960 0.005 0.000 0.214 422 G C 0.749 175.654 174.900 0.008 0.000 1.166 422 G CA 0.716 45.820 45.100 0.006 0.000 0.793 422 G HN 0.454 nan 8.290 nan 0.000 0.533 423 D N -0.653 119.756 120.400 0.014 0.000 2.233 423 D HA 0.344 4.987 4.640 0.005 0.000 0.281 423 D C 0.364 176.679 176.300 0.025 0.000 1.175 423 D CA 0.118 54.128 54.000 0.017 0.000 1.034 423 D CB 0.627 41.442 40.800 0.024 0.000 1.133 423 D HN 0.051 nan 8.370 nan 0.000 0.519 424 I N 0.375 120.969 120.570 0.040 0.000 6.229 424 I HA -0.179 3.994 4.170 0.005 0.000 0.136 424 I C -0.989 175.131 176.117 0.004 0.000 1.823 424 I CA -0.213 61.124 61.300 0.063 0.000 2.037 424 I CB -0.183 37.856 38.000 0.065 0.000 3.457 424 I HN 0.182 nan 8.210 nan 0.000 0.169 425 Q N 6.724 126.508 119.800 -0.028 0.000 2.230 425 Q HA 0.586 4.929 4.340 0.005 0.000 0.248 425 Q C -0.229 175.586 176.000 -0.309 0.000 0.915 425 Q CA -0.482 55.232 55.803 -0.147 0.000 0.900 425 Q CB 2.221 30.865 28.738 -0.156 0.000 1.229 425 Q HN 0.553 nan 8.270 nan 0.000 0.439 426 L N 2.935 123.916 121.223 -0.403 0.000 2.504 426 L HA 0.182 4.525 4.340 0.005 0.000 0.249 426 L C -0.179 176.171 176.870 -0.867 0.000 1.120 426 L CA -0.658 53.832 54.840 -0.584 0.000 0.997 426 L CB 0.590 42.477 42.059 -0.287 0.000 1.349 426 L HN 0.426 nan 8.230 nan 0.000 0.439 427 Q N 1.098 120.126 119.800 -1.286 0.000 2.485 427 Q HA -0.117 4.226 4.340 0.005 0.000 0.348 427 Q C -0.735 174.784 176.000 -0.802 0.000 1.097 427 Q CA 1.047 56.195 55.803 -1.092 0.000 1.079 427 Q CB -0.048 28.027 28.738 -1.106 0.000 1.108 427 Q HN 0.225 nan 8.270 nan 0.000 0.400 428 Y N 1.144 121.234 120.300 -0.350 0.000 2.729 428 Y HA 0.123 4.676 4.550 0.006 0.000 0.331 428 Y C 1.698 177.522 175.900 -0.127 0.000 1.208 428 Y CA 0.980 58.955 58.100 -0.208 0.000 1.521 428 Y CB 0.265 38.632 38.460 -0.155 0.000 1.233 428 Y HN 0.866 nan 8.280 nan 0.000 0.539 429 G N 1.471 110.339 108.800 0.113 0.000 2.229 429 G HA2 -0.222 3.741 3.960 0.005 0.000 0.189 429 G HA3 -0.222 3.741 3.960 0.005 0.000 0.189 429 G C -0.546 174.535 174.900 0.302 0.000 1.000 429 G CA -0.861 44.343 45.100 0.172 0.000 0.663 429 G HN 0.485 nan 8.290 nan 0.000 0.493 430 W N 2.404 123.705 121.300 0.002 0.000 2.261 430 W HA 0.706 5.367 4.660 0.003 0.000 0.323 430 W C 0.703 177.211 176.519 -0.018 0.000 1.243 430 W CA -1.154 56.183 57.345 -0.013 0.000 1.210 430 W CB 0.564 30.012 29.460 -0.020 0.000 1.149 430 W HN 0.058 nan 8.180 nan 0.000 0.562 431 K N 1.135 121.636 120.400 0.167 0.000 2.154 431 K HA 0.525 4.847 4.320 0.005 0.000 0.264 431 K C -0.732 175.920 176.600 0.088 0.000 1.008 431 K CA -0.734 55.596 56.287 0.071 0.000 0.937 431 K CB 0.977 33.467 32.500 -0.016 0.000 1.002 431 K HN 0.096 nan 8.250 nan 0.000 0.469 432 V N 2.272 122.216 119.914 0.051 0.000 2.444 432 V HA 0.108 4.231 4.120 0.005 0.000 0.294 432 V C -0.546 175.560 176.094 0.021 0.000 1.022 432 V CA -0.742 61.591 62.300 0.055 0.000 0.850 432 V CB 1.464 33.320 31.823 0.056 0.000 0.992 432 V HN 0.707 nan 8.190 nan 0.000 0.426 433 E N 5.349 125.574 120.200 0.042 0.000 1.893 433 E HA 0.240 4.593 4.350 0.005 0.000 0.269 433 E C -0.008 176.599 176.600 0.012 0.000 1.129 433 E CA -0.369 56.056 56.400 0.042 0.000 0.904 433 E CB 0.508 30.286 29.700 0.130 0.000 1.077 433 E HN 0.607 nan 8.360 nan 0.000 0.407 434 R N 1.587 122.099 120.500 0.020 0.000 2.577 434 R HA 0.321 4.663 4.340 0.005 0.000 0.269 434 R C 0.307 176.606 176.300 -0.002 0.000 1.084 434 R CA -0.771 55.321 56.100 -0.014 0.000 1.163 434 R CB 0.642 30.978 30.300 0.059 0.000 1.100 434 R HN 0.382 nan 8.270 nan 0.000 0.547 435 H N 0.289 119.396 119.070 0.061 0.000 2.836 435 H HA -0.001 4.557 4.556 0.003 0.000 0.368 435 H C 0.526 175.934 175.328 0.134 0.000 1.164 435 H CA 0.008 56.115 56.048 0.098 0.000 1.425 435 H CB 0.510 30.300 29.762 0.048 0.000 1.414 435 H HN 0.304 nan 8.280 nan 0.000 0.614 436 I N 1.633 122.394 120.570 0.318 0.000 2.815 436 I HA -0.142 4.030 4.170 0.005 0.000 0.291 436 I C 0.764 177.032 176.117 0.251 0.000 1.209 436 I CA 1.100 62.543 61.300 0.237 0.000 1.431 436 I CB -0.029 38.098 38.000 0.212 0.000 1.351 436 I HN 0.400 nan 8.210 nan 0.000 0.585 437 M N 3.051 122.751 119.600 0.166 0.000 2.744 437 M HA 0.352 4.835 4.480 0.005 0.000 0.283 437 M C -0.897 175.466 176.300 0.106 0.000 1.275 437 M CA -1.170 54.233 55.300 0.173 0.000 0.796 437 M CB 1.027 33.701 32.600 0.123 0.000 1.739 437 M HN 0.222 nan 8.290 nan 0.000 0.454 438 D N 1.877 122.336 120.400 0.098 0.000 2.458 438 D HA 0.151 4.794 4.640 0.005 0.000 0.243 438 D C 0.107 176.426 176.300 0.031 0.000 1.146 438 D CA 1.112 55.144 54.000 0.055 0.000 0.877 438 D CB 0.199 41.029 40.800 0.049 0.000 1.176 438 D HN 0.577 nan 8.370 nan 0.000 0.461 439 N N 0.625 119.333 118.700 0.014 0.000 2.984 439 N HA -0.164 4.579 4.740 0.005 0.000 0.227 439 N C -0.899 174.599 175.510 -0.021 0.000 0.903 439 N CA 0.550 53.599 53.050 -0.003 0.000 0.995 439 N CB -1.011 37.475 38.487 -0.001 0.000 1.065 439 N HN 0.472 nan 8.380 nan 0.000 0.585 440 D N 1.909 122.295 120.400 -0.025 0.000 2.525 440 D HA 0.099 4.742 4.640 0.005 0.000 0.235 440 D C -2.096 174.176 176.300 -0.046 0.000 1.137 440 D CA -0.122 53.839 54.000 -0.065 0.000 0.868 440 D CB 0.366 41.129 40.800 -0.061 0.000 1.180 440 D HN 0.197 nan 8.370 nan 0.000 0.465 441 P HA 0.131 nan 4.420 nan 0.000 0.287 441 P C -0.518 176.778 177.300 -0.006 0.000 1.281 441 P CA -0.486 62.596 63.100 -0.030 0.000 0.781 441 P CB 1.084 32.760 31.700 -0.041 0.000 0.903 442 V N 1.617 121.551 119.914 0.034 0.000 3.074 442 V HA 0.547 4.670 4.120 0.005 0.000 0.314 442 V C -0.807 175.364 176.094 0.128 0.000 1.117 442 V CA -1.149 61.194 62.300 0.072 0.000 1.014 442 V CB 2.585 34.448 31.823 0.067 0.000 1.057 442 V HN 0.380 nan 8.190 nan 0.000 0.438 443 L N 2.638 123.963 121.223 0.170 0.000 2.280 443 L HA 0.592 4.935 4.340 0.005 0.000 0.287 443 L C -1.528 175.513 176.870 0.284 0.000 1.023 443 L CA -0.200 54.761 54.840 0.202 0.000 0.819 443 L CB 1.172 43.311 42.059 0.133 0.000 1.212 443 L HN 0.836 nan 8.230 nan 0.000 0.420 444 F N 5.889 125.893 119.950 0.089 0.000 2.492 444 F HA 0.497 5.026 4.527 0.004 0.000 0.327 444 F C -0.024 175.804 175.800 0.046 0.000 1.079 444 F CA -0.669 57.303 58.000 -0.047 0.000 0.967 444 F CB 1.505 40.366 39.000 -0.233 0.000 1.169 444 F HN 0.581 nan 8.300 nan 0.000 0.472 445 N N 4.136 122.524 118.700 -0.519 0.000 2.371 445 N HA 0.327 5.070 4.740 0.005 0.000 0.280 445 N C -1.968 173.325 175.510 -0.363 0.000 1.084 445 N CA -0.702 52.236 53.050 -0.188 0.000 0.892 445 N CB 1.893 40.362 38.487 -0.030 0.000 1.653 445 N HN 0.792 nan 8.380 nan 0.000 0.480 446 R N 2.585 123.011 120.500 -0.122 0.000 2.562 446 R HA 0.344 4.686 4.340 0.005 0.000 0.298 446 R C -1.022 175.269 176.300 -0.015 0.000 0.961 446 R CA -0.282 55.753 56.100 -0.107 0.000 0.881 446 R CB 1.578 31.844 30.300 -0.058 0.000 1.159 446 R HN 0.578 nan 8.270 nan 0.000 0.450 447 Q N 2.847 122.628 119.800 -0.032 0.000 2.193 447 Q HA 0.413 4.756 4.340 0.005 0.000 0.246 447 Q C -2.134 173.853 176.000 -0.021 0.000 0.959 447 Q CA -1.720 54.072 55.803 -0.019 0.000 0.904 447 Q CB 0.962 29.689 28.738 -0.017 0.000 1.238 447 Q HN 0.505 nan 8.270 nan 0.000 0.469 448 P HA -0.005 nan 4.420 nan 0.000 0.266 448 P C -0.935 176.339 177.300 -0.043 0.000 1.195 448 P CA 0.066 63.147 63.100 -0.031 0.000 0.768 448 P CB 0.617 32.294 31.700 -0.037 0.000 0.838 449 S N 2.730 118.408 115.700 -0.036 0.000 3.869 449 S HA 0.137 4.610 4.470 0.005 0.000 0.241 449 S C 1.545 176.099 174.600 -0.077 0.000 1.363 449 S CA -0.431 57.747 58.200 -0.037 0.000 0.894 449 S CB -0.779 62.413 63.200 -0.013 0.000 1.519 449 S HN 0.359 nan 8.310 nan 0.000 0.470 450 L N 1.362 122.486 121.223 -0.165 0.000 2.240 450 L HA 0.054 4.396 4.340 0.005 0.000 0.211 450 L C 0.809 177.545 176.870 -0.224 0.000 1.106 450 L CA 0.757 55.458 54.840 -0.231 0.000 0.793 450 L CB -0.434 41.437 42.059 -0.314 0.000 0.927 450 L HN 0.603 nan 8.230 nan 0.000 0.446 451 H N -3.610 115.425 119.070 -0.059 0.000 2.946 451 H HA 0.368 4.927 4.556 0.005 0.000 0.365 451 H C 0.512 175.793 175.328 -0.079 0.000 1.197 451 H CA -2.012 53.987 56.048 -0.082 0.000 1.131 451 H CB 0.366 30.068 29.762 -0.100 0.000 1.849 451 H HN -0.187 nan 8.280 nan 0.000 0.555 452 K N 0.143 120.583 120.400 0.066 0.000 2.144 452 K HA -0.234 4.089 4.320 0.005 0.000 0.209 452 K C 1.011 177.605 176.600 -0.010 0.000 1.047 452 K CA 2.483 58.768 56.287 -0.004 0.000 0.927 452 K CB -0.559 31.909 32.500 -0.053 0.000 0.716 452 K HN 0.422 nan 8.250 nan 0.000 0.454 453 M N 1.118 120.685 119.600 -0.055 0.000 2.700 453 M HA 0.009 4.492 4.480 0.005 0.000 0.249 453 M C 1.554 177.802 176.300 -0.087 0.000 1.082 453 M CA 0.774 55.987 55.300 -0.144 0.000 1.077 453 M CB 0.082 32.464 32.600 -0.363 0.000 1.477 453 M HN 0.168 nan 8.290 nan 0.000 0.529 454 S N -0.293 115.470 115.700 0.105 0.000 2.575 454 S HA 0.322 4.795 4.470 0.005 0.000 0.215 454 S C 0.379 175.113 174.600 0.225 0.000 0.966 454 S CA 0.154 58.432 58.200 0.129 0.000 0.911 454 S CB 0.131 63.392 63.200 0.102 0.000 0.780 454 S HN 0.346 nan 8.310 nan 0.000 0.514 455 M N 1.875 121.566 119.600 0.151 0.000 2.213 455 M HA 0.505 4.987 4.480 0.005 0.000 0.286 455 M C -1.227 175.173 176.300 0.167 0.000 1.008 455 M CA -0.021 55.400 55.300 0.201 0.000 0.937 455 M CB 2.141 34.791 32.600 0.083 0.000 1.600 455 M HN 0.003 nan 8.290 nan 0.000 0.450 456 M N 1.808 121.590 119.600 0.303 0.000 2.501 456 M HA 0.685 5.168 4.480 0.005 0.000 0.293 456 M C -0.655 175.821 176.300 0.292 0.000 1.192 456 M CA -0.874 54.562 55.300 0.226 0.000 0.886 456 M CB 2.461 35.174 32.600 0.189 0.000 1.710 456 M HN 0.768 nan 8.290 nan 0.000 0.457 457 A N 2.198 125.097 122.820 0.131 0.000 2.350 457 A HA 0.407 4.730 4.320 0.005 0.000 0.293 457 A C -0.503 177.119 177.584 0.063 0.000 1.231 457 A CA -0.186 51.917 52.037 0.111 0.000 0.883 457 A CB -0.307 18.712 19.000 0.031 0.000 1.133 457 A HN 0.829 nan 8.150 nan 0.000 0.533 458 H N 1.543 120.610 119.070 -0.005 0.000 2.495 458 H HA 0.317 4.876 4.556 0.005 0.000 0.350 458 H C -0.116 175.165 175.328 -0.078 0.000 1.202 458 H CA -0.499 55.502 56.048 -0.078 0.000 1.322 458 H CB 1.170 30.804 29.762 -0.212 0.000 1.544 458 H HN 0.633 nan 8.280 nan 0.000 0.565 459 R N 1.042 121.560 120.500 0.029 0.000 2.254 459 R HA 0.214 4.557 4.340 0.005 0.000 0.318 459 R C -0.599 175.698 176.300 -0.005 0.000 1.031 459 R CA -0.568 55.532 56.100 0.001 0.000 0.905 459 R CB 0.936 31.228 30.300 -0.012 0.000 1.050 459 R HN 0.278 nan 8.270 nan 0.000 0.456 460 V N 3.917 123.825 119.914 -0.010 0.000 2.655 460 V HA -0.002 4.121 4.120 0.005 0.000 0.300 460 V C 0.210 176.303 176.094 -0.002 0.000 1.044 460 V CA 0.373 62.666 62.300 -0.013 0.000 1.095 460 V CB 0.815 32.647 31.823 0.015 0.000 0.952 460 V HN 0.651 nan 8.190 nan 0.000 0.485 461 K N 4.675 125.070 120.400 -0.009 0.000 2.604 461 K HA 0.498 4.821 4.320 0.005 0.000 0.247 461 K C -1.262 175.333 176.600 -0.009 0.000 0.956 461 K CA -0.509 55.778 56.287 -0.001 0.000 0.896 461 K CB 1.609 34.109 32.500 0.000 0.000 1.131 461 K HN 0.362 nan 8.250 nan 0.000 0.440 462 V N 6.076 125.975 119.914 -0.025 0.000 2.585 462 V HA 0.221 4.344 4.120 0.005 0.000 0.296 462 V C 0.198 176.238 176.094 -0.089 0.000 1.035 462 V CA 0.152 62.395 62.300 -0.095 0.000 1.084 462 V CB -0.433 31.238 31.823 -0.254 0.000 0.953 462 V HN 0.777 nan 8.190 nan 0.000 0.483 463 I N 4.181 124.706 120.570 -0.075 0.000 2.994 463 I HA 0.722 4.895 4.170 0.005 0.000 0.306 463 I C -2.714 173.371 176.117 -0.055 0.000 1.195 463 I CA -2.538 58.737 61.300 -0.041 0.000 1.001 463 I CB 1.941 39.947 38.000 0.011 0.000 1.244 463 I HN 0.341 nan 8.210 nan 0.000 0.437 464 P HA 0.162 nan 4.420 nan 0.000 0.271 464 P C -1.080 176.179 177.300 -0.070 0.000 1.244 464 P CA 0.427 63.420 63.100 -0.177 0.000 0.793 464 P CB 0.119 31.659 31.700 -0.267 0.000 0.984 465 Y N -2.636 117.628 120.300 -0.061 0.000 2.508 465 Y HA -0.221 4.333 4.550 0.007 0.000 0.021 465 Y C 1.482 177.330 175.900 -0.088 0.000 1.704 465 Y CA 0.710 58.770 58.100 -0.067 0.000 1.418 465 Y CB -2.081 36.342 38.460 -0.061 0.000 2.063 465 Y HN 0.320 nan 8.280 nan 0.000 0.254 466 S N -1.501 114.242 115.700 0.072 0.000 2.556 466 S HA 0.085 4.558 4.470 0.005 0.000 0.216 466 S C 0.458 174.973 174.600 -0.141 0.000 0.970 466 S CA 0.274 58.440 58.200 -0.056 0.000 0.912 466 S CB -0.125 63.042 63.200 -0.056 0.000 0.790 466 S HN 0.755 nan 8.310 nan 0.000 0.504 467 T N 0.541 115.038 114.554 -0.095 0.000 2.904 467 T HA 0.546 4.899 4.350 0.005 0.000 0.290 467 T C -0.029 174.597 174.700 -0.124 0.000 1.018 467 T CA -0.602 61.418 62.100 -0.133 0.000 1.075 467 T CB 0.224 69.053 68.868 -0.066 0.000 0.986 467 T HN 0.113 nan 8.240 nan 0.000 0.523 468 F N 1.113 121.078 119.950 0.026 0.000 2.410 468 F HA 0.459 4.989 4.527 0.005 0.000 0.334 468 F C 1.491 177.271 175.800 -0.034 0.000 1.134 468 F CA -0.964 57.048 58.000 0.022 0.000 1.227 468 F CB 0.964 40.055 39.000 0.152 0.000 1.194 468 F HN 0.344 nan 8.300 nan 0.000 0.571 469 R N 3.267 123.844 120.500 0.129 0.000 2.532 469 R HA 0.640 4.982 4.340 0.005 0.000 0.297 469 R C -1.698 174.569 176.300 -0.055 0.000 0.984 469 R CA -0.989 55.108 56.100 -0.006 0.000 0.884 469 R CB 1.817 32.094 30.300 -0.038 0.000 1.182 469 R HN 0.479 nan 8.270 nan 0.000 0.442 470 L N -0.616 120.596 121.223 -0.017 0.000 2.301 470 L HA 0.557 4.900 4.340 0.005 0.000 0.264 470 L C 0.137 177.055 176.870 0.081 0.000 1.016 470 L CA -1.174 53.681 54.840 0.025 0.000 0.821 470 L CB 0.913 43.028 42.059 0.094 0.000 1.346 470 L HN 0.407 nan 8.230 nan 0.000 0.429 471 N N 0.240 118.999 118.700 0.098 0.000 2.441 471 N HA 0.102 4.845 4.740 0.005 0.000 0.251 471 N C 0.624 176.226 175.510 0.152 0.000 1.242 471 N CA 0.027 53.131 53.050 0.089 0.000 0.898 471 N CB 1.072 39.584 38.487 0.042 0.000 1.100 471 N HN 0.708 nan 8.380 nan 0.000 0.443 472 L N 1.783 123.100 121.223 0.158 0.000 2.275 472 L HA -0.058 4.285 4.340 0.005 0.000 0.215 472 L C 2.214 179.162 176.870 0.129 0.000 1.119 472 L CA 0.745 55.709 54.840 0.208 0.000 0.790 472 L CB -0.188 41.986 42.059 0.191 0.000 0.919 472 L HN 0.470 nan 8.230 nan 0.000 0.443 473 S N -1.276 114.459 115.700 0.059 0.000 2.522 473 S HA -0.017 4.456 4.470 0.005 0.000 0.227 473 S C 1.618 176.155 174.600 -0.105 0.000 0.986 473 S CA 0.364 58.545 58.200 -0.031 0.000 0.929 473 S CB 0.148 63.293 63.200 -0.092 0.000 0.769 473 S HN 0.221 nan 8.310 nan 0.000 0.529 474 V N 1.596 121.503 119.914 -0.013 0.000 3.646 474 V HA 0.020 4.143 4.120 0.005 0.000 0.277 474 V C 1.959 178.186 176.094 0.223 0.000 1.274 474 V CA 0.872 63.218 62.300 0.078 0.000 1.164 474 V CB -0.669 31.291 31.823 0.227 0.000 0.926 474 V HN 0.434 nan 8.190 nan 0.000 0.442 475 T N 0.370 115.019 114.554 0.158 0.000 2.746 475 T HA -0.158 4.195 4.350 0.005 0.000 0.267 475 T C 2.050 176.812 174.700 0.102 0.000 1.039 475 T CA 2.241 64.421 62.100 0.132 0.000 1.142 475 T CB -0.037 68.858 68.868 0.046 0.000 0.866 475 T HN 0.802 nan 8.240 nan 0.000 0.444 476 S N 1.510 117.241 115.700 0.052 0.000 2.362 476 S HA 0.027 4.500 4.470 0.005 0.000 0.221 476 S C -0.522 174.100 174.600 0.036 0.000 1.032 476 S CA 0.447 58.668 58.200 0.036 0.000 0.973 476 S CB -1.642 61.572 63.200 0.022 0.000 0.849 476 S HN 0.444 nan 8.310 nan 0.000 0.465 477 P HA -0.081 nan 4.420 nan 0.000 0.221 477 P C 0.658 177.950 177.300 -0.013 0.000 1.145 477 P CA 1.167 64.226 63.100 -0.069 0.000 0.795 477 P CB -0.299 31.223 31.700 -0.298 0.000 0.775 478 Y N -1.039 119.324 120.300 0.104 0.000 2.490 478 Y HA 0.055 4.608 4.550 0.005 0.000 0.285 478 Y C 0.898 176.810 175.900 0.020 0.000 1.117 478 Y CA -0.033 58.109 58.100 0.069 0.000 1.262 478 Y CB -0.558 37.949 38.460 0.077 0.000 1.043 478 Y HN -0.049 nan 8.280 nan 0.000 0.553 479 N N 0.473 119.261 118.700 0.146 0.000 2.667 479 N HA -0.197 4.546 4.740 0.005 0.000 0.263 479 N C -0.973 174.558 175.510 0.035 0.000 1.038 479 N CA 0.479 53.565 53.050 0.059 0.000 0.749 479 N CB -0.746 37.754 38.487 0.021 0.000 0.892 479 N HN 0.355 nan 8.380 nan 0.000 0.546 480 A N 1.030 123.864 122.820 0.023 0.000 2.330 480 A HA 0.760 5.083 4.320 0.005 0.000 0.329 480 A C -0.069 177.373 177.584 -0.236 0.000 1.135 480 A CA 0.124 52.120 52.037 -0.068 0.000 0.817 480 A CB 1.106 20.093 19.000 -0.020 0.000 1.269 480 A HN 0.664 nan 8.150 nan 0.000 0.469 481 D N -1.801 118.398 120.400 -0.335 0.000 2.759 481 D HA 0.422 5.065 4.640 0.005 0.000 0.321 481 D C -0.805 175.172 176.300 -0.538 0.000 1.267 481 D CA -0.436 53.183 54.000 -0.635 0.000 0.933 481 D CB 0.183 40.780 40.800 -0.337 0.000 1.431 481 D HN 0.240 nan 8.370 nan 0.000 0.504 482 F N -0.338 119.627 119.950 0.025 0.000 2.668 482 F HA 0.175 4.705 4.527 0.005 0.000 0.301 482 F C 0.909 176.712 175.800 0.006 0.000 1.106 482 F CA -0.704 57.306 58.000 0.017 0.000 1.289 482 F CB 0.369 39.380 39.000 0.017 0.000 1.006 482 F HN 0.222 nan 8.300 nan 0.000 0.535 483 D N -0.027 120.425 120.400 0.086 0.000 2.346 483 D HA 0.143 4.786 4.640 0.005 0.000 0.248 483 D C 1.632 177.958 176.300 0.044 0.000 1.173 483 D CA 0.655 54.687 54.000 0.054 0.000 0.878 483 D CB -0.044 40.766 40.800 0.016 0.000 0.919 483 D HN 0.400 nan 8.370 nan 0.000 0.513 484 G N -0.242 108.597 108.800 0.067 0.000 2.205 484 G HA2 -0.220 3.742 3.960 0.005 0.000 0.180 484 G HA3 -0.220 3.742 3.960 0.005 0.000 0.180 484 G C -0.238 174.686 174.900 0.039 0.000 1.004 484 G CA -0.262 44.865 45.100 0.046 0.000 0.670 484 G HN 0.391 nan 8.290 nan 0.000 0.496 485 D N 1.162 121.587 120.400 0.040 0.000 2.370 485 D HA 0.458 5.101 4.640 0.005 0.000 0.235 485 D C 0.772 177.098 176.300 0.044 0.000 1.228 485 D CA 0.830 54.845 54.000 0.025 0.000 0.884 485 D CB 0.487 41.292 40.800 0.008 0.000 1.201 485 D HN 0.568 nan 8.370 nan 0.000 0.456 486 E N -0.035 120.177 120.200 0.021 0.000 2.343 486 E HA 0.568 4.921 4.350 0.005 0.000 0.270 486 E C -0.557 176.037 176.600 -0.010 0.000 0.895 486 E CA -0.797 55.621 56.400 0.030 0.000 0.767 486 E CB 2.097 31.805 29.700 0.012 0.000 1.248 486 E HN 0.271 nan 8.360 nan 0.000 0.440 487 M N 1.292 120.899 119.600 0.011 0.000 2.619 487 M HA 0.443 4.926 4.480 0.005 0.000 0.297 487 M C -0.953 175.237 176.300 -0.183 0.000 1.229 487 M CA -1.116 54.054 55.300 -0.217 0.000 0.860 487 M CB 2.000 34.263 32.600 -0.561 0.000 1.741 487 M HN 0.378 nan 8.290 nan 0.000 0.462 488 N N 1.389 119.884 118.700 -0.342 0.000 2.477 488 N HA 0.806 5.549 4.740 0.005 0.000 0.284 488 N C -1.485 173.816 175.510 -0.349 0.000 1.182 488 N CA -0.540 52.381 53.050 -0.214 0.000 0.949 488 N CB 1.875 40.301 38.487 -0.102 0.000 1.204 488 N HN 0.627 nan 8.380 nan 0.000 0.526 489 L N 0.259 121.362 121.223 -0.199 0.000 2.455 489 L HA 0.433 4.776 4.340 0.005 0.000 0.264 489 L C -1.500 175.321 176.870 -0.082 0.000 0.968 489 L CA -0.571 54.240 54.840 -0.048 0.000 0.827 489 L CB 1.495 43.527 42.059 -0.046 0.000 1.317 489 L HN 0.538 nan 8.230 nan 0.000 0.407 490 H N 4.360 123.475 119.070 0.075 0.000 2.658 490 H HA 0.427 4.986 4.556 0.005 0.000 0.337 490 H C -1.121 174.272 175.328 0.108 0.000 1.009 490 H CA -0.699 55.409 56.048 0.100 0.000 1.231 490 H CB 2.376 32.184 29.762 0.076 0.000 1.508 490 H HN 0.329 nan 8.280 nan 0.000 0.517 491 V N 5.610 125.664 119.914 0.234 0.000 2.370 491 V HA 0.178 4.300 4.120 0.005 0.000 0.279 491 V C -1.900 174.257 176.094 0.104 0.000 1.029 491 V CA -1.730 60.666 62.300 0.160 0.000 0.870 491 V CB 1.180 33.108 31.823 0.174 0.000 0.984 491 V HN 0.615 nan 8.190 nan 0.000 0.451 492 P HA 0.153 nan 4.420 nan 0.000 0.271 492 P C -0.380 176.967 177.300 0.079 0.000 1.216 492 P CA -0.090 63.038 63.100 0.046 0.000 0.771 492 P CB 1.301 33.017 31.700 0.025 0.000 0.864 493 Q N 0.344 120.163 119.800 0.031 0.000 2.352 493 Q HA 0.108 4.451 4.340 0.005 0.000 0.212 493 Q C 0.896 176.935 176.000 0.066 0.000 0.888 493 Q CA 0.483 56.273 55.803 -0.022 0.000 0.934 493 Q CB 0.321 28.895 28.738 -0.274 0.000 1.093 493 Q HN 0.616 nan 8.270 nan 0.000 0.523 494 S N -0.973 114.809 115.700 0.135 0.000 2.689 494 S HA 0.407 4.880 4.470 0.005 0.000 0.306 494 S C 0.850 175.570 174.600 0.199 0.000 1.104 494 S CA -0.730 57.547 58.200 0.127 0.000 0.973 494 S CB 2.013 65.237 63.200 0.040 0.000 1.121 494 S HN -0.169 nan 8.310 nan 0.000 0.523 495 E N 1.273 121.571 120.200 0.163 0.000 2.110 495 E HA -0.159 4.194 4.350 0.005 0.000 0.193 495 E C 1.811 178.454 176.600 0.072 0.000 0.988 495 E CA 1.604 58.086 56.400 0.137 0.000 0.804 495 E CB -0.159 29.608 29.700 0.112 0.000 0.745 495 E HN 0.919 nan 8.360 nan 0.000 0.458 496 E N -0.649 119.584 120.200 0.055 0.000 2.442 496 E HA -0.020 4.333 4.350 0.005 0.000 0.195 496 E C 1.620 178.235 176.600 0.024 0.000 1.030 496 E CA 0.687 57.107 56.400 0.033 0.000 0.869 496 E CB 0.016 29.731 29.700 0.026 0.000 0.857 496 E HN -0.071 nan 8.360 nan 0.000 0.505 497 T N 1.222 115.795 114.554 0.031 0.000 3.010 497 T HA 0.018 4.371 4.350 0.005 0.000 0.252 497 T C 1.834 176.541 174.700 0.011 0.000 1.047 497 T CA 0.876 62.989 62.100 0.020 0.000 1.140 497 T CB 0.078 68.963 68.868 0.028 0.000 0.885 497 T HN 0.324 nan 8.240 nan 0.000 0.464 498 R N 1.232 121.734 120.500 0.004 0.000 2.115 498 R HA 0.253 4.596 4.340 0.005 0.000 0.230 498 R C 2.555 178.841 176.300 -0.022 0.000 1.111 498 R CA 1.183 57.265 56.100 -0.031 0.000 0.976 498 R CB -0.611 29.628 30.300 -0.101 0.000 0.870 498 R HN 0.245 nan 8.270 nan 0.000 0.445 499 A N 2.017 124.833 122.820 -0.006 0.000 1.865 499 A HA -0.247 4.076 4.320 0.005 0.000 0.217 499 A C 2.135 179.717 177.584 -0.003 0.000 1.191 499 A CA 1.757 53.793 52.037 -0.002 0.000 0.623 499 A CB -0.634 18.373 19.000 0.011 0.000 0.826 499 A HN 0.507 nan 8.150 nan 0.000 0.444 500 E N -0.614 119.586 120.200 0.000 0.000 2.209 500 E HA -0.164 4.189 4.350 0.005 0.000 0.196 500 E C 1.885 178.479 176.600 -0.009 0.000 0.993 500 E CA 0.968 57.366 56.400 -0.004 0.000 0.819 500 E CB -0.155 29.542 29.700 -0.005 0.000 0.745 500 E HN 0.656 nan 8.360 nan 0.000 0.477 501 L N -0.159 121.059 121.223 -0.008 0.000 2.102 501 L HA -0.085 4.258 4.340 0.005 0.000 0.202 501 L C 2.486 179.347 176.870 -0.014 0.000 1.076 501 L CA 1.218 56.054 54.840 -0.006 0.000 0.761 501 L CB -0.251 41.809 42.059 0.002 0.000 0.921 501 L HN 0.188 nan 8.230 nan 0.000 0.444 502 S N -1.629 114.060 115.700 -0.019 0.000 2.522 502 S HA -0.044 4.428 4.470 0.005 0.000 0.227 502 S C 1.616 176.201 174.600 -0.026 0.000 0.986 502 S CA 0.226 58.411 58.200 -0.025 0.000 0.929 502 S CB 0.095 63.279 63.200 -0.027 0.000 0.769 502 S HN 0.374 nan 8.310 nan 0.000 0.529 503 Q N -0.170 119.616 119.800 -0.023 0.000 2.402 503 Q HA 0.401 4.743 4.340 0.005 0.000 0.231 503 Q C 1.293 177.273 176.000 -0.034 0.000 0.888 503 Q CA 0.354 56.142 55.803 -0.024 0.000 0.938 503 Q CB -0.130 28.599 28.738 -0.014 0.000 1.086 503 Q HN 0.445 nan 8.270 nan 0.000 0.543 504 L N -1.290 119.914 121.223 -0.033 0.000 2.500 504 L HA 0.126 4.469 4.340 0.005 0.000 0.219 504 L C 1.565 178.407 176.870 -0.046 0.000 1.057 504 L CA 0.863 55.677 54.840 -0.043 0.000 0.854 504 L CB 0.231 42.268 42.059 -0.036 0.000 1.078 504 L HN 0.084 nan 8.230 nan 0.000 0.480 505 C N -0.479 118.800 119.300 -0.035 0.000 3.038 505 C HA 0.578 5.041 4.460 0.005 0.000 0.279 505 C C 1.321 176.289 174.990 -0.037 0.000 1.276 505 C CA -0.937 58.063 59.018 -0.030 0.000 1.697 505 C CB -0.808 26.927 27.740 -0.007 0.000 2.032 505 C HN 0.339 nan 8.230 nan 0.000 0.636 506 A N 0.970 123.761 122.820 -0.048 0.000 2.498 506 A HA 0.342 4.665 4.320 0.005 0.000 0.239 506 A C 1.394 178.914 177.584 -0.107 0.000 1.068 506 A CA 0.252 52.248 52.037 -0.069 0.000 0.766 506 A CB 0.334 19.297 19.000 -0.062 0.000 1.003 506 A HN 0.238 nan 8.150 nan 0.000 0.497 507 V N 3.650 123.461 119.914 -0.172 0.000 2.332 507 V HA -0.180 3.943 4.120 0.005 0.000 0.248 507 V C -0.384 175.607 176.094 -0.172 0.000 1.055 507 V CA 2.649 64.813 62.300 -0.227 0.000 1.038 507 V CB -1.629 29.939 31.823 -0.425 0.000 0.651 507 V HN 0.806 nan 8.190 nan 0.000 0.450 508 P HA -0.162 nan 4.420 nan 0.000 0.213 508 P C 1.601 178.860 177.300 -0.069 0.000 1.170 508 P CA 1.464 64.516 63.100 -0.080 0.000 0.902 508 P CB -0.281 31.388 31.700 -0.052 0.000 0.789 509 L N -2.785 118.396 121.223 -0.069 0.000 2.737 509 L HA 0.079 4.422 4.340 0.005 0.000 0.246 509 L C 1.446 178.264 176.870 -0.087 0.000 1.153 509 L CA 1.038 55.840 54.840 -0.064 0.000 0.920 509 L CB -0.956 41.070 42.059 -0.055 0.000 1.090 509 L HN -0.076 nan 8.230 nan 0.000 0.430 510 Q N -0.361 119.376 119.800 -0.105 0.000 2.211 510 Q HA 0.298 4.641 4.340 0.005 0.000 0.242 510 Q C 2.121 178.039 176.000 -0.137 0.000 0.825 510 Q CA 0.194 55.919 55.803 -0.130 0.000 0.951 510 Q CB 0.637 29.286 28.738 -0.147 0.000 1.130 510 Q HN 0.625 nan 8.270 nan 0.000 0.496 511 I N 0.263 120.767 120.570 -0.109 0.000 2.194 511 I HA -0.175 3.998 4.170 0.005 0.000 0.246 511 I C 1.118 177.171 176.117 -0.106 0.000 1.093 511 I CA 1.139 62.391 61.300 -0.080 0.000 1.355 511 I CB 0.067 38.070 38.000 0.005 0.000 1.046 511 I HN -0.121 nan 8.210 nan 0.000 0.413 512 V N 1.672 121.505 119.914 -0.135 0.000 2.294 512 V HA 0.248 4.370 4.120 0.005 0.000 0.272 512 V C 0.056 176.045 176.094 -0.176 0.000 1.027 512 V CA -0.287 61.893 62.300 -0.201 0.000 0.823 512 V CB 1.101 32.766 31.823 -0.262 0.000 1.030 512 V HN 0.291 nan 8.190 nan 0.000 0.457 513 S N 8.266 123.872 115.700 -0.157 0.000 2.489 513 S HA 0.576 5.049 4.470 0.005 0.000 0.291 513 S C -1.276 173.274 174.600 -0.083 0.000 1.151 513 S CA -1.370 56.746 58.200 -0.139 0.000 1.082 513 S CB 1.933 65.025 63.200 -0.180 0.000 1.019 513 S HN 0.603 nan 8.310 nan 0.000 0.492 514 P HA -0.166 nan 4.420 nan 0.000 0.223 514 P C 1.190 178.585 177.300 0.158 0.000 1.144 514 P CA 0.941 64.072 63.100 0.053 0.000 0.783 514 P CB 0.154 31.894 31.700 0.066 0.000 0.771 515 Q N 0.521 120.332 119.800 0.018 0.000 2.030 515 Q HA -0.093 4.250 4.340 0.005 0.000 0.204 515 Q C 1.204 177.241 176.000 0.061 0.000 0.986 515 Q CA 2.022 57.818 55.803 -0.011 0.000 0.843 515 Q CB -0.123 28.547 28.738 -0.113 0.000 0.904 515 Q HN 0.099 nan 8.270 nan 0.000 0.420 516 S N 0.134 115.841 115.700 0.012 0.000 2.846 516 S HA 0.112 4.585 4.470 0.005 0.000 0.249 516 S C -0.681 173.994 174.600 0.124 0.000 1.028 516 S CA 0.144 58.333 58.200 -0.018 0.000 1.043 516 S CB 0.256 63.465 63.200 0.015 0.000 0.990 516 S HN 0.718 nan 8.310 nan 0.000 0.564 517 N N 2.081 120.849 118.700 0.113 0.000 2.710 517 N HA -0.290 4.452 4.740 0.005 0.000 0.249 517 N C -0.446 175.197 175.510 0.221 0.000 1.059 517 N CA 1.532 54.679 53.050 0.161 0.000 0.720 517 N CB -1.893 36.721 38.487 0.213 0.000 0.983 517 N HN 0.701 nan 8.380 nan 0.000 0.544 518 K N -3.551 116.898 120.400 0.081 0.000 2.469 518 K HA 0.700 5.023 4.320 0.005 0.000 0.268 518 K C -3.259 173.228 176.600 -0.188 0.000 1.027 518 K CA -2.375 53.904 56.287 -0.012 0.000 0.893 518 K CB 1.836 34.433 32.500 0.162 0.000 1.460 518 K HN -0.175 nan 8.250 nan 0.000 0.449 519 P HA -0.013 nan 4.420 nan 0.000 0.269 519 P C 0.527 177.787 177.300 -0.066 0.000 1.209 519 P CA -0.472 62.541 63.100 -0.146 0.000 0.776 519 P CB 0.570 32.229 31.700 -0.069 0.000 0.876 520 C N 1.663 120.917 119.300 -0.077 0.000 3.038 520 C HA 0.510 4.973 4.460 0.005 0.000 0.279 520 C C 0.388 175.349 174.990 -0.048 0.000 1.276 520 C CA -0.372 58.598 59.018 -0.079 0.000 1.697 520 C CB -1.390 26.254 27.740 -0.159 0.000 2.032 520 C HN 0.388 nan 8.230 nan 0.000 0.636 521 M N 0.991 120.592 119.600 0.003 0.000 2.446 521 M HA 0.690 5.173 4.480 0.005 0.000 0.294 521 M C 0.055 176.489 176.300 0.223 0.000 1.158 521 M CA 0.196 55.517 55.300 0.035 0.000 0.899 521 M CB 2.387 34.917 32.600 -0.117 0.000 1.687 521 M HN 0.340 nan 8.290 nan 0.000 0.455 522 G N 1.141 110.098 108.800 0.262 0.000 2.782 522 G HA2 0.736 4.699 3.960 0.005 0.000 0.304 522 G HA3 0.736 4.699 3.960 0.005 0.000 0.304 522 G C -1.869 173.248 174.900 0.363 0.000 1.315 522 G CA -0.712 44.600 45.100 0.352 0.000 0.791 522 G HN 0.495 nan 8.290 nan 0.000 0.519 523 I N 0.696 121.388 120.570 0.204 0.000 2.474 523 I HA 0.460 4.632 4.170 0.005 0.000 0.287 523 I C 0.348 176.526 176.117 0.102 0.000 1.048 523 I CA 0.002 61.392 61.300 0.150 0.000 1.383 523 I CB 1.393 39.419 38.000 0.044 0.000 1.412 523 I HN 0.444 nan 8.210 nan 0.000 0.531 524 V N 3.871 123.844 119.914 0.098 0.000 3.049 524 V HA 0.613 4.736 4.120 0.005 0.000 0.309 524 V C -0.188 175.949 176.094 0.071 0.000 1.148 524 V CA -0.772 61.574 62.300 0.075 0.000 0.990 524 V CB 1.458 33.327 31.823 0.076 0.000 1.039 524 V HN 0.883 nan 8.190 nan 0.000 0.430 525 Q N 0.147 119.984 119.800 0.061 0.000 1.675 525 Q HA -0.332 4.011 4.340 0.005 0.000 0.365 525 Q C 0.998 177.037 176.000 0.065 0.000 0.856 525 Q CA 2.094 57.938 55.803 0.069 0.000 0.832 525 Q CB -1.287 27.500 28.738 0.082 0.000 3.604 525 Q HN 1.012 nan 8.270 nan 0.000 0.678 526 D N 0.001 120.448 120.400 0.078 0.000 2.154 526 D HA -0.148 4.495 4.640 0.005 0.000 0.190 526 D C 1.930 178.257 176.300 0.045 0.000 1.003 526 D CA 2.462 56.505 54.000 0.072 0.000 0.849 526 D CB -0.524 40.318 40.800 0.070 0.000 0.942 526 D HN 0.474 nan 8.370 nan 0.000 0.446 527 T N 0.460 115.042 114.554 0.046 0.000 2.708 527 T HA -0.136 4.216 4.350 0.005 0.000 0.266 527 T C 1.841 176.545 174.700 0.007 0.000 1.037 527 T CA 0.699 62.818 62.100 0.032 0.000 1.146 527 T CB -0.422 68.473 68.868 0.045 0.000 0.865 527 T HN 0.027 nan 8.240 nan 0.000 0.435 528 L N 0.901 122.131 121.223 0.012 0.000 2.083 528 L HA -0.021 4.322 4.340 0.005 0.000 0.209 528 L C 2.635 179.480 176.870 -0.040 0.000 1.083 528 L CA 1.346 56.181 54.840 -0.009 0.000 0.752 528 L CB -1.106 40.959 42.059 0.010 0.000 0.899 528 L HN 0.423 nan 8.230 nan 0.000 0.433 529 C N -0.468 118.804 119.300 -0.046 0.000 2.462 529 C HA -0.018 4.444 4.460 0.005 0.000 0.278 529 C C 2.777 177.678 174.990 -0.150 0.000 1.253 529 C CA 0.915 59.858 59.018 -0.125 0.000 1.713 529 C CB -1.513 26.130 27.740 -0.161 0.000 2.049 529 C HN 0.669 nan 8.230 nan 0.000 0.477 530 G N -0.446 108.309 108.800 -0.075 0.000 2.572 530 G HA2 -0.026 3.936 3.960 0.005 0.000 0.216 530 G HA3 -0.026 3.936 3.960 0.005 0.000 0.216 530 G C 1.569 176.420 174.900 -0.081 0.000 1.133 530 G CA 0.666 45.766 45.100 -0.000 0.000 0.791 530 G HN 0.643 nan 8.290 nan 0.000 0.538 531 I N 0.589 121.096 120.570 -0.104 0.000 2.286 531 I HA -0.066 4.107 4.170 0.005 0.000 0.245 531 I C 2.850 178.854 176.117 -0.187 0.000 1.104 531 I CA 1.241 62.447 61.300 -0.156 0.000 1.397 531 I CB 0.025 37.962 38.000 -0.105 0.000 1.072 531 I HN 0.236 nan 8.210 nan 0.000 0.417 532 R N 1.176 121.588 120.500 -0.146 0.000 2.096 532 R HA -0.168 4.175 4.340 0.005 0.000 0.235 532 R C 2.132 178.328 176.300 -0.173 0.000 1.127 532 R CA 1.401 57.416 56.100 -0.141 0.000 0.968 532 R CB -0.358 29.878 30.300 -0.107 0.000 0.861 532 R HN 0.105 nan 8.270 nan 0.000 0.440 533 K N 0.576 120.868 120.400 -0.180 0.000 2.057 533 K HA -0.119 4.203 4.320 0.005 0.000 0.207 533 K C 1.974 178.353 176.600 -0.369 0.000 1.049 533 K CA 1.361 57.558 56.287 -0.150 0.000 0.931 533 K CB -0.524 32.007 32.500 0.052 0.000 0.714 533 K HN 0.275 nan 8.250 nan 0.000 0.440 534 L N 1.317 122.142 121.223 -0.663 0.000 2.141 534 L HA -0.104 4.239 4.340 0.005 0.000 0.209 534 L C 1.806 178.330 176.870 -0.577 0.000 1.094 534 L CA 1.961 56.163 54.840 -1.063 0.000 0.763 534 L CB -0.656 40.784 42.059 -1.032 0.000 0.908 534 L HN 0.239 nan 8.230 nan 0.000 0.437 535 T N -2.767 111.567 114.554 -0.367 0.000 3.081 535 T HA 0.208 4.561 4.350 0.005 0.000 0.250 535 T C 0.912 175.489 174.700 -0.205 0.000 1.100 535 T CA -0.440 61.507 62.100 -0.255 0.000 1.038 535 T CB -0.658 68.095 68.868 -0.191 0.000 0.962 535 T HN 0.166 nan 8.240 nan 0.000 0.516 536 L N 1.770 122.876 121.223 -0.194 0.000 2.640 536 L HA 0.001 4.344 4.340 0.005 0.000 0.300 536 L C 2.025 178.774 176.870 -0.202 0.000 1.259 536 L CA -0.102 54.646 54.840 -0.153 0.000 0.879 536 L CB 0.352 42.339 42.059 -0.119 0.000 1.125 536 L HN 0.140 nan 8.230 nan 0.000 0.507 537 R N 1.164 121.565 120.500 -0.165 0.000 2.241 537 R HA -0.131 4.211 4.340 0.005 0.000 0.224 537 R C 0.946 177.012 176.300 -0.389 0.000 1.101 537 R CA 0.884 56.855 56.100 -0.215 0.000 0.995 537 R CB -0.091 30.152 30.300 -0.095 0.000 0.870 537 R HN 0.676 nan 8.270 nan 0.000 0.463 538 D N -0.037 120.190 120.400 -0.288 0.000 2.277 538 D HA -0.038 4.605 4.640 0.005 0.000 0.208 538 D C 0.134 176.187 176.300 -0.411 0.000 0.962 538 D CA 0.920 54.759 54.000 -0.268 0.000 0.865 538 D CB 0.165 40.928 40.800 -0.061 0.000 0.939 538 D HN -0.001 nan 8.370 nan 0.000 0.510 539 T N 1.515 115.828 114.554 -0.403 0.000 2.776 539 T HA 0.224 4.576 4.350 0.005 0.000 0.292 539 T C -0.049 174.452 174.700 -0.331 0.000 0.921 539 T CA -0.099 61.867 62.100 -0.224 0.000 1.038 539 T CB -0.385 68.371 68.868 -0.186 0.000 0.910 539 T HN -0.144 nan 8.240 nan 0.000 0.536 540 F N 2.985 123.010 119.950 0.125 0.000 2.443 540 F HA 0.600 5.130 4.527 0.005 0.000 0.335 540 F C 0.157 176.079 175.800 0.204 0.000 1.104 540 F CA -1.294 56.794 58.000 0.146 0.000 1.013 540 F CB 1.165 40.238 39.000 0.121 0.000 1.136 540 F HN 0.280 nan 8.300 nan 0.000 0.470 541 I N 2.188 123.015 120.570 0.429 0.000 2.441 541 I HA 0.290 4.463 4.170 0.005 0.000 0.295 541 I C -0.346 175.976 176.117 0.342 0.000 0.994 541 I CA -0.621 60.887 61.300 0.346 0.000 1.144 541 I CB 1.788 39.958 38.000 0.283 0.000 1.314 541 I HN 0.603 nan 8.210 nan 0.000 0.445 542 E N 4.656 125.000 120.200 0.239 0.000 2.243 542 E HA 0.407 4.760 4.350 0.005 0.000 0.260 542 E C 0.710 177.359 176.600 0.082 0.000 0.985 542 E CA -0.794 55.746 56.400 0.233 0.000 0.858 542 E CB 1.041 30.854 29.700 0.189 0.000 1.210 542 E HN 0.351 nan 8.360 nan 0.000 0.411 543 L N 1.532 122.810 121.223 0.092 0.000 1.991 543 L HA -0.327 4.016 4.340 0.005 0.000 0.221 543 L C 1.463 178.254 176.870 -0.131 0.000 1.079 543 L CA 3.023 57.807 54.840 -0.092 0.000 0.778 543 L CB -1.019 41.073 42.059 0.055 0.000 0.893 543 L HN 0.876 nan 8.230 nan 0.000 0.437 544 D N -1.482 118.893 120.400 -0.042 0.000 2.126 544 D HA -0.334 4.308 4.640 0.005 0.000 0.190 544 D C 2.032 178.310 176.300 -0.037 0.000 1.001 544 D CA 1.972 55.950 54.000 -0.036 0.000 0.841 544 D CB -0.753 40.041 40.800 -0.009 0.000 0.949 544 D HN 0.613 nan 8.370 nan 0.000 0.446 545 Q N -0.167 119.628 119.800 -0.008 0.000 2.297 545 Q HA -0.046 4.297 4.340 0.005 0.000 0.204 545 Q C 1.960 177.976 176.000 0.028 0.000 0.962 545 Q CA 0.514 56.356 55.803 0.066 0.000 0.879 545 Q CB 0.229 29.009 28.738 0.070 0.000 0.947 545 Q HN 0.273 nan 8.270 nan 0.000 0.462 546 V N 0.472 120.292 119.914 -0.156 0.000 2.488 546 V HA -0.217 3.905 4.120 0.005 0.000 0.246 546 V C 1.992 177.870 176.094 -0.360 0.000 1.046 546 V CA 1.194 63.279 62.300 -0.359 0.000 1.053 546 V CB -0.275 31.021 31.823 -0.877 0.000 0.679 546 V HN 0.343 nan 8.190 nan 0.000 0.458 547 L N -0.039 121.007 121.223 -0.295 0.000 2.313 547 L HA -0.019 4.324 4.340 0.005 0.000 0.214 547 L C 2.287 179.043 176.870 -0.190 0.000 1.119 547 L CA 0.891 55.577 54.840 -0.257 0.000 0.809 547 L CB -0.728 41.231 42.059 -0.166 0.000 0.933 547 L HN 0.281 nan 8.230 nan 0.000 0.449 548 N N 0.387 119.033 118.700 -0.091 0.000 2.109 548 N HA -0.086 4.657 4.740 0.005 0.000 0.188 548 N C 1.937 177.363 175.510 -0.140 0.000 1.034 548 N CA 1.420 54.435 53.050 -0.058 0.000 0.846 548 N CB -0.174 38.382 38.487 0.114 0.000 1.010 548 N HN 0.257 nan 8.380 nan 0.000 0.425 549 M N -0.005 119.555 119.600 -0.067 0.000 2.080 549 M HA -0.179 4.304 4.480 0.005 0.000 0.260 549 M C 1.842 178.035 176.300 -0.177 0.000 1.068 549 M CA 1.186 56.455 55.300 -0.053 0.000 1.109 549 M CB -0.277 32.369 32.600 0.075 0.000 1.342 549 M HN 0.070 nan 8.290 nan 0.000 0.405 550 L N -0.782 120.215 121.223 -0.377 0.000 2.012 550 L HA -0.233 4.110 4.340 0.005 0.000 0.210 550 L C 2.355 178.772 176.870 -0.756 0.000 1.073 550 L CA 1.928 56.279 54.840 -0.814 0.000 0.748 550 L CB -1.045 40.334 42.059 -1.134 0.000 0.891 550 L HN 0.271 nan 8.230 nan 0.000 0.431 551 Y N -1.939 118.016 120.300 -0.575 0.000 2.293 551 Y HA -0.257 4.296 4.550 0.004 0.000 0.291 551 Y C 2.153 177.934 175.900 -0.199 0.000 1.137 551 Y CA 0.979 58.893 58.100 -0.309 0.000 1.202 551 Y CB -0.684 37.622 38.460 -0.257 0.000 0.990 551 Y HN 0.192 nan 8.280 nan 0.000 0.537 552 W N -0.114 120.970 121.300 -0.361 0.000 2.363 552 W HA -0.088 4.575 4.660 0.004 0.000 0.296 552 W C 0.693 177.065 176.519 -0.246 0.000 1.212 552 W CA 1.140 58.261 57.345 -0.374 0.000 1.260 552 W CB -0.430 28.785 29.460 -0.407 0.000 1.131 552 W HN -0.372 nan 8.180 nan 0.000 0.530 553 V N 3.768 123.721 119.914 0.066 0.000 2.446 553 V HA -0.049 4.073 4.120 0.005 0.000 0.276 553 V C -0.962 175.197 176.094 0.108 0.000 1.030 553 V CA -0.502 61.844 62.300 0.077 0.000 1.033 553 V CB 0.817 32.672 31.823 0.054 0.000 0.993 553 V HN -0.052 nan 8.190 nan 0.000 0.477 554 P HA 0.062 nan 4.420 nan 0.000 0.245 554 P C 0.505 177.872 177.300 0.112 0.000 1.203 554 P CA 0.372 63.510 63.100 0.063 0.000 0.792 554 P CB 0.517 32.227 31.700 0.017 0.000 0.997 555 D N -1.276 119.200 120.400 0.128 0.000 2.349 555 D HA -0.023 4.619 4.640 0.005 0.000 0.224 555 D C 0.310 176.710 176.300 0.166 0.000 1.029 555 D CA -0.038 54.029 54.000 0.113 0.000 0.879 555 D CB -0.481 40.369 40.800 0.083 0.000 0.906 555 D HN 0.176 nan 8.370 nan 0.000 0.528 556 W N 3.282 124.595 121.300 0.022 0.000 2.264 556 W HA -0.004 4.659 4.660 0.004 0.000 0.331 556 W C 0.780 177.322 176.519 0.038 0.000 1.364 556 W CA -0.701 56.665 57.345 0.035 0.000 1.253 556 W CB 0.609 30.099 29.460 0.052 0.000 1.215 556 W HN -0.066 nan 8.180 nan 0.000 0.561 557 D N 2.833 122.937 120.400 -0.494 0.000 2.363 557 D HA 0.081 4.724 4.640 0.005 0.000 0.226 557 D C 1.553 177.350 176.300 -0.838 0.000 1.020 557 D CA 0.636 54.336 54.000 -0.500 0.000 0.892 557 D CB -0.448 40.192 40.800 -0.265 0.000 0.900 557 D HN 0.748 nan 8.370 nan 0.000 0.531 558 G N -0.616 107.048 108.800 -1.892 0.000 2.182 558 G HA2 -0.192 3.771 3.960 0.005 0.000 0.248 558 G HA3 -0.192 3.771 3.960 0.005 0.000 0.248 558 G C -0.162 174.158 174.900 -0.966 0.000 1.042 558 G CA 0.146 44.143 45.100 -1.838 0.000 0.775 558 G HN 0.407 nan 8.290 nan 0.000 0.501 559 V N 2.763 122.284 119.914 -0.655 0.000 2.357 559 V HA 0.352 4.475 4.120 0.005 0.000 0.281 559 V C 0.669 176.999 176.094 0.393 0.000 1.015 559 V CA -1.241 61.052 62.300 -0.013 0.000 0.827 559 V CB 1.282 33.087 31.823 -0.031 0.000 1.018 559 V HN 0.338 nan 8.190 nan 0.000 0.432 560 I N 7.234 128.065 120.570 0.434 0.000 2.668 560 I HA 0.175 4.348 4.170 0.005 0.000 0.285 560 I C -1.567 174.778 176.117 0.381 0.000 1.168 560 I CA -1.197 60.366 61.300 0.439 0.000 1.424 560 I CB 0.207 38.417 38.000 0.351 0.000 1.377 560 I HN 0.383 nan 8.210 nan 0.000 0.560 561 P HA 0.177 nan 4.420 nan 0.000 0.281 561 P C -0.447 177.088 177.300 0.392 0.000 1.249 561 P CA -0.374 62.939 63.100 0.355 0.000 0.810 561 P CB 0.623 32.525 31.700 0.337 0.000 1.008 562 T N 4.460 119.114 114.554 0.166 0.000 2.853 562 T HA 0.186 4.539 4.350 0.005 0.000 0.298 562 T C -1.929 172.630 174.700 -0.236 0.000 0.978 562 T CA -0.667 61.433 62.100 0.001 0.000 1.152 562 T CB -0.465 68.396 68.868 -0.010 0.000 0.914 562 T HN 0.402 nan 8.240 nan 0.000 0.539 563 P HA 0.130 nan 4.420 nan 0.000 0.266 563 P C 0.613 177.590 177.300 -0.539 0.000 1.195 563 P CA -0.203 62.154 63.100 -1.238 0.000 0.768 563 P CB 0.657 31.387 31.700 -1.617 0.000 0.838 564 A N 4.913 127.518 122.820 -0.359 0.000 1.865 564 A HA -0.117 4.206 4.320 0.005 0.000 0.217 564 A C 1.313 178.797 177.584 -0.165 0.000 1.191 564 A CA 1.198 53.149 52.037 -0.143 0.000 0.623 564 A CB -0.932 18.071 19.000 0.005 0.000 0.826 564 A HN 0.591 nan 8.150 nan 0.000 0.444 565 I N 0.049 120.491 120.570 -0.214 0.000 2.365 565 I HA 0.212 4.384 4.170 0.005 0.000 0.291 565 I C 0.614 176.577 176.117 -0.257 0.000 1.004 565 I CA -0.147 61.025 61.300 -0.214 0.000 1.311 565 I CB 1.387 39.236 38.000 -0.252 0.000 1.401 565 I HN 0.290 nan 8.210 nan 0.000 0.491 566 I N 4.968 125.425 120.570 -0.188 0.000 3.196 566 I HA -0.038 4.134 4.170 0.005 0.000 0.248 566 I C 1.748 177.799 176.117 -0.111 0.000 1.105 566 I CA -0.092 61.112 61.300 -0.160 0.000 1.482 566 I CB -0.356 37.571 38.000 -0.121 0.000 1.400 566 I HN 0.639 nan 8.210 nan 0.000 0.464 567 K N 2.411 122.756 120.400 -0.092 0.000 2.585 567 K HA -0.266 4.057 4.320 0.005 0.000 0.099 567 K C -1.247 175.317 176.600 -0.060 0.000 0.735 567 K CA 1.817 58.062 56.287 -0.070 0.000 0.825 567 K CB -2.851 29.605 32.500 -0.074 0.000 0.283 567 K HN 0.126 nan 8.250 nan 0.000 1.066 568 P HA -0.106 nan 4.420 nan 0.000 0.222 568 P C -0.126 177.153 177.300 -0.035 0.000 1.147 568 P CA 1.464 64.539 63.100 -0.042 0.000 0.790 568 P CB 0.111 31.786 31.700 -0.042 0.000 0.780 569 K N -0.010 120.361 120.400 -0.047 0.000 2.582 569 K HA 0.235 4.558 4.320 0.005 0.000 0.259 569 K C -3.195 173.382 176.600 -0.039 0.000 0.973 569 K CA -1.639 54.634 56.287 -0.023 0.000 0.880 569 K CB 2.192 34.684 32.500 -0.012 0.000 1.310 569 K HN -0.276 nan 8.250 nan 0.000 0.443 570 P HA 0.081 nan 4.420 nan 0.000 0.264 570 P C -0.602 176.709 177.300 0.019 0.000 1.236 570 P CA 0.003 63.056 63.100 -0.078 0.000 0.811 570 P CB 0.377 32.055 31.700 -0.037 0.000 0.840 571 L N 3.785 124.959 121.223 -0.081 0.000 2.344 571 L HA 0.519 4.862 4.340 0.005 0.000 0.272 571 L C 0.552 177.461 176.870 0.066 0.000 1.035 571 L CA -0.771 54.118 54.840 0.083 0.000 0.807 571 L CB 1.641 43.628 42.059 -0.119 0.000 1.237 571 L HN 0.311 nan 8.230 nan 0.000 0.442 572 W N 0.626 122.009 121.300 0.138 0.000 2.578 572 W HA 0.402 5.065 4.660 0.005 0.000 0.353 572 W C 0.053 176.737 176.519 0.275 0.000 1.088 572 W CA -0.536 56.906 57.345 0.162 0.000 1.235 572 W CB 2.220 31.749 29.460 0.115 0.000 1.362 572 W HN 0.436 nan 8.180 nan 0.000 0.592 573 S N -0.286 115.659 115.700 0.409 0.000 2.509 573 S HA 0.436 4.909 4.470 0.005 0.000 0.297 573 S C 0.888 175.539 174.600 0.085 0.000 1.118 573 S CA -0.015 58.325 58.200 0.233 0.000 1.074 573 S CB 1.692 64.974 63.200 0.137 0.000 1.038 573 S HN 0.658 nan 8.310 nan 0.000 0.498 574 G N 2.768 111.523 108.800 -0.075 0.000 2.574 574 G HA2 -0.275 3.688 3.960 0.005 0.000 0.220 574 G HA3 -0.275 3.688 3.960 0.005 0.000 0.220 574 G C 1.270 176.092 174.900 -0.131 0.000 1.173 574 G CA 1.124 46.113 45.100 -0.186 0.000 0.772 574 G HN 0.823 nan 8.290 nan 0.000 0.585 575 K N -0.047 120.288 120.400 -0.109 0.000 2.034 575 K HA -0.227 4.096 4.320 0.005 0.000 0.214 575 K C 2.609 179.198 176.600 -0.017 0.000 1.051 575 K CA 1.679 57.922 56.287 -0.073 0.000 0.931 575 K CB -0.403 32.063 32.500 -0.057 0.000 0.715 575 K HN 0.393 nan 8.250 nan 0.000 0.446 576 Q N 0.382 120.209 119.800 0.044 0.000 2.047 576 Q HA -0.251 4.092 4.340 0.005 0.000 0.211 576 Q C 2.221 178.285 176.000 0.106 0.000 1.005 576 Q CA 2.510 58.379 55.803 0.110 0.000 0.866 576 Q CB -0.406 28.461 28.738 0.215 0.000 0.938 576 Q HN 0.398 nan 8.270 nan 0.000 0.414 577 I N -0.853 119.771 120.570 0.090 0.000 2.202 577 I HA -0.187 3.986 4.170 0.005 0.000 0.242 577 I C 2.172 178.282 176.117 -0.012 0.000 1.091 577 I CA 0.851 62.169 61.300 0.029 0.000 1.368 577 I CB -1.058 36.932 38.000 -0.016 0.000 1.058 577 I HN 0.159 nan 8.210 nan 0.000 0.410 578 L N 1.292 122.491 121.223 -0.041 0.000 2.081 578 L HA -0.203 4.140 4.340 0.005 0.000 0.212 578 L C 2.286 179.138 176.870 -0.030 0.000 1.080 578 L CA 1.945 56.752 54.840 -0.055 0.000 0.754 578 L CB -1.166 40.834 42.059 -0.098 0.000 0.893 578 L HN 0.345 nan 8.230 nan 0.000 0.433 579 S N -1.372 114.321 115.700 -0.012 0.000 2.537 579 S HA -0.078 4.395 4.470 0.005 0.000 0.240 579 S C 1.881 176.501 174.600 0.033 0.000 0.981 579 S CA 0.910 59.112 58.200 0.004 0.000 0.948 579 S CB -0.479 62.731 63.200 0.017 0.000 0.759 579 S HN 0.381 nan 8.310 nan 0.000 0.531 580 V N 1.373 121.313 119.914 0.043 0.000 2.719 580 V HA -0.042 4.081 4.120 0.005 0.000 0.252 580 V C 2.543 178.679 176.094 0.070 0.000 1.065 580 V CA 1.381 63.731 62.300 0.083 0.000 1.086 580 V CB -0.935 30.927 31.823 0.064 0.000 0.700 580 V HN 0.564 nan 8.190 nan 0.000 0.467 581 A N -0.235 122.600 122.820 0.025 0.000 1.968 581 A HA 0.090 4.413 4.320 0.005 0.000 0.217 581 A C 1.177 178.763 177.584 0.004 0.000 1.169 581 A CA 0.643 52.690 52.037 0.016 0.000 0.638 581 A CB -0.319 18.674 19.000 -0.011 0.000 0.812 581 A HN 0.485 nan 8.150 nan 0.000 0.446 582 I N 1.170 121.735 120.570 -0.008 0.000 2.441 582 I HA 0.181 4.354 4.170 0.005 0.000 0.287 582 I C -1.953 174.158 176.117 -0.010 0.000 1.049 582 I CA -2.092 59.193 61.300 -0.025 0.000 1.381 582 I CB 1.153 39.129 38.000 -0.041 0.000 1.409 582 I HN 0.090 nan 8.210 nan 0.000 0.523 583 P HA 0.054 nan 4.420 nan 0.000 0.286 583 P C -1.087 176.195 177.300 -0.031 0.000 1.278 583 P CA -0.148 62.941 63.100 -0.018 0.000 0.785 583 P CB 0.404 32.087 31.700 -0.028 0.000 1.269 584 N N -1.769 116.908 118.700 -0.038 0.000 2.430 584 N HA 0.471 5.214 4.740 0.005 0.000 0.298 584 N C 0.536 175.982 175.510 -0.107 0.000 1.130 584 N CA 0.140 53.161 53.050 -0.049 0.000 0.894 584 N CB 0.394 38.866 38.487 -0.024 0.000 1.209 584 N HN 0.657 nan 8.380 nan 0.000 0.503 585 G N 0.111 108.816 108.800 -0.158 0.000 2.233 585 G HA2 -0.237 3.726 3.960 0.005 0.000 0.270 585 G HA3 -0.237 3.726 3.960 0.005 0.000 0.270 585 G C -0.418 174.108 174.900 -0.624 0.000 1.011 585 G CA -0.094 44.790 45.100 -0.360 0.000 0.762 585 G HN 0.444 nan 8.290 nan 0.000 0.511 586 I N 2.290 122.603 120.570 -0.428 0.000 2.291 586 I HA 0.292 4.465 4.170 0.005 0.000 0.292 586 I C 0.260 176.181 176.117 -0.325 0.000 1.064 586 I CA -0.839 60.271 61.300 -0.316 0.000 1.269 586 I CB 0.151 38.065 38.000 -0.145 0.000 1.418 586 I HN 0.129 nan 8.210 nan 0.000 0.485 587 H N 7.159 126.231 119.070 0.004 0.000 2.457 587 H HA 0.648 5.207 4.556 0.005 0.000 0.335 587 H C -0.528 174.789 175.328 -0.018 0.000 1.115 587 H CA -0.776 55.270 56.048 -0.004 0.000 1.219 587 H CB 2.880 32.654 29.762 0.019 0.000 1.471 587 H HN 0.474 nan 8.280 nan 0.000 0.491 588 L N 2.364 123.625 121.223 0.063 0.000 2.565 588 L HA 0.281 4.624 4.340 0.005 0.000 0.261 588 L C -1.371 175.466 176.870 -0.055 0.000 0.932 588 L CA -0.429 54.411 54.840 0.001 0.000 0.878 588 L CB 2.546 44.584 42.059 -0.036 0.000 1.333 588 L HN 0.693 nan 8.230 nan 0.000 0.409 589 Q N 5.018 124.796 119.800 -0.037 0.000 2.359 589 Q HA 0.576 4.919 4.340 0.005 0.000 0.274 589 Q C -1.154 174.820 176.000 -0.044 0.000 1.074 589 Q CA -0.658 55.099 55.803 -0.078 0.000 0.810 589 Q CB 2.621 31.382 28.738 0.038 0.000 1.342 589 Q HN 0.833 nan 8.270 nan 0.000 0.427 590 R N 1.808 122.209 120.500 -0.165 0.000 3.199 590 R HA 0.343 4.686 4.340 0.005 0.000 0.158 590 R C -0.830 175.562 176.300 0.154 0.000 1.302 590 R CA 0.251 56.337 56.100 -0.024 0.000 1.139 590 R CB 0.725 30.992 30.300 -0.055 0.000 1.304 590 R HN 0.791 nan 8.270 nan 0.000 0.483 591 F N 1.885 121.884 119.950 0.081 0.000 2.160 591 F HA -0.205 4.325 4.527 0.005 0.000 0.500 591 F C 0.001 175.827 175.800 0.043 0.000 1.264 591 F CA -0.062 57.987 58.000 0.082 0.000 1.610 591 F CB -0.720 38.320 39.000 0.066 0.000 2.559 591 F HN 0.253 nan 8.300 nan 0.000 0.729 592 D N 1.758 122.258 120.400 0.166 0.000 2.387 592 D HA 0.143 4.785 4.640 0.005 0.000 0.264 592 D C 1.614 177.975 176.300 0.103 0.000 1.216 592 D CA 0.182 54.244 54.000 0.103 0.000 1.138 592 D CB -0.006 40.828 40.800 0.058 0.000 1.176 592 D HN 0.591 nan 8.370 nan 0.000 0.522 593 E N 0.066 120.305 120.200 0.064 0.000 2.014 593 E HA -0.008 4.345 4.350 0.005 0.000 0.190 593 E C 1.952 178.582 176.600 0.050 0.000 0.980 593 E CA 1.451 57.879 56.400 0.046 0.000 0.807 593 E CB -0.741 28.973 29.700 0.024 0.000 0.770 593 E HN 0.396 nan 8.360 nan 0.000 0.451 594 G N -0.124 108.702 108.800 0.043 0.000 2.408 594 G HA2 -0.141 3.822 3.960 0.005 0.000 0.217 594 G HA3 -0.141 3.822 3.960 0.005 0.000 0.217 594 G C 0.473 175.410 174.900 0.061 0.000 1.150 594 G CA 0.858 45.979 45.100 0.036 0.000 0.776 594 G HN 0.366 nan 8.290 nan 0.000 0.542 595 T N 1.415 116.030 114.554 0.101 0.000 2.830 595 T HA 0.293 4.646 4.350 0.005 0.000 0.282 595 T C 0.499 175.352 174.700 0.255 0.000 1.024 595 T CA 1.023 63.210 62.100 0.145 0.000 1.144 595 T CB 0.272 69.271 68.868 0.218 0.000 1.035 595 T HN 0.449 nan 8.240 nan 0.000 0.507 596 T N -0.170 114.454 114.554 0.116 0.000 3.999 596 T HA 0.349 4.702 4.350 0.005 0.000 0.222 596 T C 0.579 175.282 174.700 0.004 0.000 0.996 596 T CA -0.921 61.257 62.100 0.129 0.000 1.598 596 T CB -0.789 68.093 68.868 0.024 0.000 0.762 596 T HN 0.579 nan 8.240 nan 0.000 0.632 597 L N 0.228 121.457 121.223 0.010 0.000 4.132 597 L HA -0.229 4.114 4.340 0.005 0.000 0.451 597 L C 1.025 177.737 176.870 -0.263 0.000 1.099 597 L CA 0.912 55.684 54.840 -0.114 0.000 0.977 597 L CB -0.938 41.175 42.059 0.091 0.000 1.852 597 L HN 0.648 nan 8.230 nan 0.000 1.069 598 L N -1.035 119.967 121.223 -0.368 0.000 3.500 598 L HA 0.101 4.444 4.340 0.005 0.000 0.320 598 L C 1.053 177.695 176.870 -0.381 0.000 1.205 598 L CA 0.810 55.475 54.840 -0.291 0.000 1.117 598 L CB 0.600 42.575 42.059 -0.141 0.000 1.542 598 L HN 0.495 nan 8.230 nan 0.000 0.622 599 S N 1.164 116.553 115.700 -0.519 0.000 3.298 599 S HA -0.120 4.353 4.470 0.005 0.000 0.273 599 S C -1.164 173.321 174.600 -0.193 0.000 0.804 599 S CA 0.188 58.157 58.200 -0.385 0.000 1.369 599 S CB -1.331 61.533 63.200 -0.559 0.000 0.993 599 S HN 0.366 nan 8.310 nan 0.000 0.449 600 P HA -0.038 nan 4.420 nan 0.000 0.225 600 P C 0.703 177.976 177.300 -0.046 0.000 1.148 600 P CA 1.073 64.130 63.100 -0.072 0.000 0.779 600 P CB 0.038 31.707 31.700 -0.051 0.000 0.780 601 K N -0.811 119.565 120.400 -0.040 0.000 2.372 601 K HA 0.069 4.392 4.320 0.005 0.000 0.200 601 K C -0.038 176.555 176.600 -0.012 0.000 1.022 601 K CA -0.152 56.124 56.287 -0.019 0.000 1.125 601 K CB -0.151 32.344 32.500 -0.008 0.000 0.855 601 K HN -0.195 nan 8.250 nan 0.000 0.524 602 D N 1.505 121.896 120.400 -0.016 0.000 2.803 602 D HA -0.202 4.441 4.640 0.005 0.000 0.233 602 D C -1.057 175.267 176.300 0.040 0.000 1.182 602 D CA 0.584 54.597 54.000 0.021 0.000 0.726 602 D CB -0.883 39.921 40.800 0.006 0.000 0.987 602 D HN 0.193 nan 8.370 nan 0.000 0.412 603 N N -0.116 118.616 118.700 0.052 0.000 2.477 603 N HA 0.685 5.428 4.740 0.005 0.000 0.284 603 N C 1.044 176.619 175.510 0.109 0.000 1.182 603 N CA 0.632 53.717 53.050 0.057 0.000 0.949 603 N CB 1.305 39.818 38.487 0.044 0.000 1.204 603 N HN 0.446 nan 8.380 nan 0.000 0.526 604 G N 0.457 109.291 108.800 0.058 0.000 2.601 604 G HA2 -0.199 3.764 3.960 0.005 0.000 0.252 604 G HA3 -0.199 3.764 3.960 0.005 0.000 0.252 604 G C -0.531 174.335 174.900 -0.057 0.000 1.294 604 G CA 0.547 45.657 45.100 0.015 0.000 0.912 604 G HN 0.703 nan 8.290 nan 0.000 0.574 605 M N -1.192 118.274 119.600 -0.224 0.000 2.307 605 M HA 0.712 5.194 4.480 0.005 0.000 0.279 605 M C -1.936 173.973 176.300 -0.652 0.000 1.080 605 M CA -0.658 54.410 55.300 -0.387 0.000 0.964 605 M CB 1.820 34.285 32.600 -0.225 0.000 1.825 605 M HN 1.599 nan 8.290 nan 0.000 0.489 606 L N 6.460 127.094 121.223 -0.982 0.000 2.406 606 L HA 0.774 5.117 4.340 0.005 0.000 0.272 606 L C -1.986 174.609 176.870 -0.458 0.000 0.980 606 L CA -0.169 54.204 54.840 -0.778 0.000 0.831 606 L CB 1.736 43.143 42.059 -1.087 0.000 1.253 606 L HN 0.826 nan 8.230 nan 0.000 0.406 607 I N 6.880 127.308 120.570 -0.236 0.000 2.537 607 I HA 0.309 4.482 4.170 0.005 0.000 0.276 607 I C -0.561 175.546 176.117 -0.016 0.000 1.063 607 I CA -0.374 60.852 61.300 -0.124 0.000 1.144 607 I CB 1.144 39.083 38.000 -0.101 0.000 1.252 607 I HN 0.444 nan 8.210 nan 0.000 0.480 608 I N 5.271 125.841 120.570 0.000 0.000 2.329 608 I HA 0.075 4.248 4.170 0.005 0.000 0.295 608 I C 0.250 176.451 176.117 0.140 0.000 1.109 608 I CA 0.349 61.702 61.300 0.087 0.000 1.297 608 I CB -0.316 37.710 38.000 0.044 0.000 1.433 608 I HN 0.643 nan 8.210 nan 0.000 0.509 609 D N 5.646 126.220 120.400 0.290 0.000 8.600 609 D HA -0.196 4.447 4.640 0.005 0.000 0.290 609 D C 1.376 177.696 176.300 0.034 0.000 2.341 609 D CA 1.256 55.339 54.000 0.138 0.000 2.146 609 D CB 0.182 41.102 40.800 0.199 0.000 0.949 609 D HN 1.002 nan 8.370 nan 0.000 0.665 610 G N 3.136 111.918 108.800 -0.030 0.000 2.464 610 G HA2 -0.278 3.685 3.960 0.005 0.000 0.333 610 G HA3 -0.278 3.685 3.960 0.005 0.000 0.333 610 G C 0.048 174.950 174.900 0.003 0.000 0.903 610 G CA 1.409 46.498 45.100 -0.018 0.000 0.795 610 G HN 0.640 nan 8.290 nan 0.000 0.510 611 Q N -0.899 118.903 119.800 0.003 0.000 2.284 611 Q HA 0.386 4.729 4.340 0.005 0.000 0.269 611 Q C -0.021 175.966 176.000 -0.021 0.000 1.026 611 Q CA -0.782 55.026 55.803 0.008 0.000 0.831 611 Q CB 1.923 30.679 28.738 0.030 0.000 1.322 611 Q HN 0.563 nan 8.270 nan 0.000 0.419 612 I N 2.454 123.002 120.570 -0.037 0.000 2.312 612 I HA 0.187 4.360 4.170 0.005 0.000 0.291 612 I C 0.084 176.157 176.117 -0.073 0.000 1.031 612 I CA -0.382 60.869 61.300 -0.082 0.000 1.293 612 I CB 0.451 38.390 38.000 -0.101 0.000 1.403 612 I HN 0.521 nan 8.210 nan 0.000 0.484 613 I N 7.336 127.835 120.570 -0.118 0.000 2.235 613 I HA 0.045 4.218 4.170 0.005 0.000 0.241 613 I C 0.635 176.774 176.117 0.038 0.000 1.085 613 I CA 1.399 62.671 61.300 -0.047 0.000 1.378 613 I CB -0.951 37.020 38.000 -0.047 0.000 1.076 613 I HN 0.727 nan 8.210 nan 0.000 0.415 614 F N -0.566 119.349 119.950 -0.060 0.000 2.654 614 F HA 0.720 5.250 4.527 0.005 0.000 0.308 614 F C -0.349 175.397 175.800 -0.091 0.000 1.108 614 F CA -1.097 56.861 58.000 -0.070 0.000 0.957 614 F CB 1.066 40.025 39.000 -0.069 0.000 1.309 614 F HN 0.129 nan 8.300 nan 0.000 0.446 615 G N 1.058 109.972 108.800 0.190 0.000 2.885 615 G HA2 0.249 4.212 3.960 0.005 0.000 0.685 615 G HA3 0.249 4.212 3.960 0.005 0.000 0.685 615 G C -1.571 173.319 174.900 -0.017 0.000 1.216 615 G CA -0.727 44.432 45.100 0.100 0.000 0.790 615 G HN 1.138 nan 8.290 nan 0.000 0.631 616 V N 1.984 121.886 119.914 -0.021 0.000 2.540 616 V HA 0.229 4.352 4.120 0.005 0.000 0.297 616 V C 1.275 177.326 176.094 -0.073 0.000 1.024 616 V CA -0.167 62.097 62.300 -0.060 0.000 1.105 616 V CB 1.338 33.130 31.823 -0.052 0.000 0.938 616 V HN 0.820 nan 8.190 nan 0.000 0.482 617 V N 6.551 126.407 119.914 -0.097 0.000 2.427 617 V HA 0.359 4.482 4.120 0.005 0.000 0.268 617 V C 0.237 176.280 176.094 -0.085 0.000 1.046 617 V CA -0.136 62.106 62.300 -0.096 0.000 0.970 617 V CB 0.629 32.385 31.823 -0.111 0.000 1.001 617 V HN 1.146 nan 8.190 nan 0.000 0.476 618 E N 3.712 123.873 120.200 -0.066 0.000 2.431 618 E HA 0.422 4.774 4.350 0.005 0.000 0.240 618 E C 0.918 177.497 176.600 -0.037 0.000 0.867 618 E CA -0.863 55.506 56.400 -0.051 0.000 0.888 618 E CB 0.533 30.208 29.700 -0.042 0.000 1.739 618 E HN 0.095 nan 8.360 nan 0.000 0.413 619 K N 0.380 120.767 120.400 -0.021 0.000 2.074 619 K HA -0.177 4.146 4.320 0.005 0.000 0.209 619 K C 1.411 178.008 176.600 -0.006 0.000 1.048 619 K CA 2.057 58.340 56.287 -0.007 0.000 0.926 619 K CB -0.176 32.328 32.500 0.005 0.000 0.713 619 K HN 0.401 nan 8.250 nan 0.000 0.444 620 K N -0.442 119.953 120.400 -0.008 0.000 2.362 620 K HA -0.117 4.205 4.320 0.005 0.000 0.202 620 K C 1.460 178.051 176.600 -0.014 0.000 1.045 620 K CA 1.639 57.922 56.287 -0.006 0.000 0.936 620 K CB -0.002 32.493 32.500 -0.008 0.000 0.747 620 K HN 0.374 nan 8.250 nan 0.000 0.467 621 T N -0.705 113.832 114.554 -0.028 0.000 3.151 621 T HA 0.009 4.362 4.350 0.005 0.000 0.239 621 T C 1.697 176.369 174.700 -0.046 0.000 0.979 621 T CA 0.016 62.090 62.100 -0.043 0.000 1.194 621 T CB 0.013 68.841 68.868 -0.066 0.000 0.982 621 T HN -0.029 nan 8.240 nan 0.000 0.428 622 V N 1.560 121.443 119.914 -0.051 0.000 3.650 622 V HA 0.419 4.542 4.120 0.005 0.000 0.271 622 V C 1.332 177.406 176.094 -0.034 0.000 1.281 622 V CA 0.396 62.656 62.300 -0.068 0.000 1.120 622 V CB -0.513 31.261 31.823 -0.081 0.000 0.856 622 V HN 0.528 nan 8.190 nan 0.000 0.443 623 G N 0.322 109.118 108.800 -0.006 0.000 2.570 623 G HA2 0.210 4.173 3.960 0.005 0.000 0.276 623 G HA3 0.210 4.173 3.960 0.005 0.000 0.276 623 G C 0.302 175.226 174.900 0.040 0.000 1.346 623 G CA 0.364 45.479 45.100 0.025 0.000 1.034 623 G HN 0.651 nan 8.290 nan 0.000 0.512 624 S N -0.672 115.061 115.700 0.055 0.000 3.489 624 S HA 0.526 4.999 4.470 0.005 0.000 0.227 624 S C 0.228 174.861 174.600 0.055 0.000 1.360 624 S CA -0.002 58.234 58.200 0.061 0.000 0.934 624 S CB -0.144 63.091 63.200 0.060 0.000 1.410 624 S HN 1.038 nan 8.310 nan 0.000 0.483 625 S N 1.557 117.294 115.700 0.061 0.000 2.709 625 S HA 0.488 4.960 4.470 0.005 0.000 0.302 625 S C 0.718 175.391 174.600 0.122 0.000 1.127 625 S CA -0.943 57.301 58.200 0.073 0.000 0.905 625 S CB 1.045 64.275 63.200 0.049 0.000 1.151 625 S HN 0.338 nan 8.310 nan 0.000 0.510 626 N N 0.743 119.514 118.700 0.119 0.000 2.062 626 N HA -0.045 4.697 4.740 0.005 0.000 0.191 626 N C 1.538 177.118 175.510 0.118 0.000 1.042 626 N CA 1.834 54.984 53.050 0.165 0.000 0.845 626 N CB -0.826 37.710 38.487 0.082 0.000 1.024 626 N HN 0.867 nan 8.380 nan 0.000 0.424 627 G N -0.325 108.498 108.800 0.037 0.000 3.042 627 G HA2 0.234 4.197 3.960 0.005 0.000 0.212 627 G HA3 0.234 4.197 3.960 0.005 0.000 0.212 627 G C 0.699 175.606 174.900 0.013 0.000 1.166 627 G CA 0.235 45.326 45.100 -0.014 0.000 0.767 627 G HN 0.408 nan 8.290 nan 0.000 0.546 628 G N -0.375 108.460 108.800 0.058 0.000 2.570 628 G HA2 0.262 4.225 3.960 0.005 0.000 0.276 628 G HA3 0.262 4.225 3.960 0.005 0.000 0.276 628 G C 1.042 175.957 174.900 0.026 0.000 1.346 628 G CA -0.588 44.531 45.100 0.031 0.000 1.034 628 G HN 0.094 nan 8.290 nan 0.000 0.512 629 L N -0.803 120.409 121.223 -0.019 0.000 2.017 629 L HA -0.109 4.234 4.340 0.005 0.000 0.208 629 L C 2.844 179.691 176.870 -0.038 0.000 1.073 629 L CA 1.389 56.200 54.840 -0.048 0.000 0.745 629 L CB -0.320 41.681 42.059 -0.096 0.000 0.894 629 L HN 0.448 nan 8.230 nan 0.000 0.432 630 I N -1.181 119.358 120.570 -0.052 0.000 2.315 630 I HA -0.269 3.903 4.170 0.005 0.000 0.248 630 I C 2.542 178.676 176.117 0.028 0.000 1.117 630 I CA 1.035 62.296 61.300 -0.065 0.000 1.404 630 I CB -1.002 36.948 38.000 -0.083 0.000 1.071 630 I HN 0.269 nan 8.210 nan 0.000 0.419 631 H N 1.098 120.162 119.070 -0.009 0.000 2.270 631 H HA -0.092 4.467 4.556 0.005 0.000 0.299 631 H C 2.369 177.701 175.328 0.006 0.000 1.077 631 H CA 2.036 58.090 56.048 0.010 0.000 1.294 631 H CB -0.238 29.535 29.762 0.017 0.000 1.371 631 H HN 0.111 nan 8.280 nan 0.000 0.491 632 V N 0.302 120.314 119.914 0.163 0.000 2.231 632 V HA -0.262 3.861 4.120 0.005 0.000 0.248 632 V C 2.993 179.121 176.094 0.056 0.000 1.054 632 V CA 1.837 64.183 62.300 0.077 0.000 1.015 632 V CB -0.981 30.856 31.823 0.024 0.000 0.638 632 V HN 0.221 nan 8.190 nan 0.000 0.444 633 V N -0.221 119.705 119.914 0.020 0.000 2.469 633 V HA -0.292 3.831 4.120 0.005 0.000 0.251 633 V C 2.535 178.642 176.094 0.022 0.000 1.064 633 V CA 2.614 64.912 62.300 -0.003 0.000 1.066 633 V CB -0.972 30.825 31.823 -0.043 0.000 0.667 633 V HN 0.650 nan 8.190 nan 0.000 0.461 634 T N -0.761 113.819 114.554 0.043 0.000 2.701 634 T HA -0.120 4.232 4.350 0.005 0.000 0.263 634 T C 2.154 176.894 174.700 0.067 0.000 1.040 634 T CA 1.014 63.143 62.100 0.048 0.000 1.147 634 T CB -0.198 68.691 68.868 0.035 0.000 0.865 634 T HN 0.262 nan 8.240 nan 0.000 0.426 635 R N 0.795 121.356 120.500 0.103 0.000 2.092 635 R HA 0.031 4.374 4.340 0.005 0.000 0.231 635 R C 2.307 178.651 176.300 0.073 0.000 1.119 635 R CA 1.061 57.228 56.100 0.113 0.000 0.970 635 R CB -0.330 30.062 30.300 0.153 0.000 0.864 635 R HN 0.317 nan 8.270 nan 0.000 0.440 636 E N 0.380 120.614 120.200 0.056 0.000 2.170 636 E HA -0.020 4.333 4.350 0.005 0.000 0.191 636 E C 0.959 177.576 176.600 0.027 0.000 0.981 636 E CA 1.174 57.596 56.400 0.037 0.000 0.830 636 E CB 0.360 30.070 29.700 0.016 0.000 0.775 636 E HN 0.119 nan 8.360 nan 0.000 0.470 637 K N -1.404 119.010 120.400 0.022 0.000 2.481 637 K HA 0.351 4.673 4.320 0.005 0.000 0.210 637 K C -0.080 176.532 176.600 0.021 0.000 1.161 637 K CA 0.458 56.755 56.287 0.016 0.000 1.023 637 K CB 1.882 34.383 32.500 0.002 0.000 0.971 637 K HN 0.118 nan 8.250 nan 0.000 0.577 638 G N 3.187 112.004 108.800 0.029 0.000 2.788 638 G HA2 -0.142 3.821 3.960 0.005 0.000 0.686 638 G HA3 -0.142 3.821 3.960 0.005 0.000 0.686 638 G C -2.155 172.762 174.900 0.029 0.000 1.147 638 G CA -0.642 44.476 45.100 0.030 0.000 0.755 638 G HN -0.184 nan 8.290 nan 0.000 0.634 639 P HA -0.255 nan 4.420 nan 0.000 0.216 639 P C 1.706 179.024 177.300 0.029 0.000 1.157 639 P CA 1.891 65.007 63.100 0.026 0.000 0.880 639 P CB 0.014 31.719 31.700 0.008 0.000 0.791 640 Q N -0.117 119.694 119.800 0.018 0.000 2.028 640 Q HA -0.160 4.183 4.340 0.005 0.000 0.213 640 Q C 2.356 178.374 176.000 0.030 0.000 1.017 640 Q CA 1.598 57.412 55.803 0.017 0.000 0.875 640 Q CB -1.851 26.894 28.738 0.011 0.000 0.962 640 Q HN 0.216 nan 8.270 nan 0.000 0.413 641 V N -0.049 119.881 119.914 0.027 0.000 2.759 641 V HA -0.184 3.939 4.120 0.005 0.000 0.256 641 V C 2.402 178.516 176.094 0.034 0.000 1.080 641 V CA 1.425 63.741 62.300 0.027 0.000 1.101 641 V CB -0.519 31.313 31.823 0.016 0.000 0.698 641 V HN 0.491 nan 8.190 nan 0.000 0.477 642 C N 0.269 119.596 119.300 0.046 0.000 2.492 642 C HA 0.183 4.646 4.460 0.005 0.000 0.279 642 C C 3.064 178.153 174.990 0.165 0.000 1.335 642 C CA 0.494 59.548 59.018 0.059 0.000 1.734 642 C CB -0.954 26.823 27.740 0.060 0.000 2.027 642 C HN 0.553 nan 8.230 nan 0.000 0.496 643 A N 0.700 123.617 122.820 0.162 0.000 1.883 643 A HA -0.214 4.109 4.320 0.005 0.000 0.217 643 A C 2.108 179.812 177.584 0.199 0.000 1.186 643 A CA 2.325 54.477 52.037 0.193 0.000 0.624 643 A CB -0.685 18.351 19.000 0.060 0.000 0.822 643 A HN 0.576 nan 8.150 nan 0.000 0.444 644 K N -0.545 119.924 120.400 0.115 0.000 2.097 644 K HA -0.092 4.230 4.320 0.005 0.000 0.206 644 K C 1.724 178.380 176.600 0.095 0.000 1.049 644 K CA 1.236 57.578 56.287 0.091 0.000 0.933 644 K CB -0.597 31.937 32.500 0.056 0.000 0.717 644 K HN 0.369 nan 8.250 nan 0.000 0.442 645 L N -0.013 121.250 121.223 0.068 0.000 2.013 645 L HA -0.141 4.202 4.340 0.005 0.000 0.212 645 L C 1.798 178.658 176.870 -0.017 0.000 1.073 645 L CA 1.779 56.612 54.840 -0.012 0.000 0.753 645 L CB -0.670 41.326 42.059 -0.105 0.000 0.890 645 L HN 0.177 nan 8.230 nan 0.000 0.432 646 F N 0.036 119.987 119.950 0.001 0.000 2.065 646 F HA -0.173 4.357 4.527 0.005 0.000 0.298 646 F C 2.498 178.303 175.800 0.008 0.000 1.112 646 F CA 1.837 59.839 58.000 0.003 0.000 1.212 646 F CB -1.408 37.595 39.000 0.005 0.000 0.975 646 F HN 0.230 nan 8.300 nan 0.000 0.476 647 G N 0.193 109.134 108.800 0.235 0.000 2.631 647 G HA2 -0.361 3.601 3.960 0.005 0.000 0.219 647 G HA3 -0.361 3.601 3.960 0.005 0.000 0.219 647 G C 1.558 176.512 174.900 0.090 0.000 1.214 647 G CA 1.498 46.678 45.100 0.133 0.000 0.785 647 G HN 0.283 nan 8.290 nan 0.000 0.596 648 N N 0.719 119.462 118.700 0.072 0.000 2.149 648 N HA -0.057 4.686 4.740 0.005 0.000 0.188 648 N C 2.182 177.704 175.510 0.021 0.000 1.019 648 N CA 0.923 54.002 53.050 0.049 0.000 0.857 648 N CB -0.320 38.192 38.487 0.041 0.000 0.997 648 N HN 0.433 nan 8.380 nan 0.000 0.426 649 I N 0.775 121.348 120.570 0.006 0.000 2.546 649 I HA -0.209 3.964 4.170 0.005 0.000 0.255 649 I C 1.976 178.090 176.117 -0.005 0.000 1.163 649 I CA 0.922 62.209 61.300 -0.022 0.000 1.457 649 I CB -0.073 37.886 38.000 -0.068 0.000 1.092 649 I HN 0.128 nan 8.210 nan 0.000 0.434 650 Q N 0.460 120.273 119.800 0.021 0.000 2.165 650 Q HA -0.050 4.292 4.340 0.005 0.000 0.197 650 Q C 2.136 178.107 176.000 -0.049 0.000 0.952 650 Q CA 0.690 56.500 55.803 0.011 0.000 0.848 650 Q CB 0.029 28.794 28.738 0.047 0.000 0.931 650 Q HN 0.349 nan 8.270 nan 0.000 0.470 651 K N 0.395 120.759 120.400 -0.059 0.000 2.044 651 K HA -0.170 4.153 4.320 0.005 0.000 0.210 651 K C 2.108 178.546 176.600 -0.270 0.000 1.049 651 K CA 1.669 57.845 56.287 -0.186 0.000 0.927 651 K CB -0.341 32.166 32.500 0.011 0.000 0.713 651 K HN 0.065 nan 8.250 nan 0.000 0.443 652 V N 1.171 121.032 119.914 -0.089 0.000 2.283 652 V HA -0.187 3.936 4.120 0.005 0.000 0.243 652 V C 2.436 178.575 176.094 0.074 0.000 1.039 652 V CA 1.407 63.699 62.300 -0.013 0.000 1.016 652 V CB -0.354 31.473 31.823 0.007 0.000 0.650 652 V HN 0.051 nan 8.190 nan 0.000 0.449 653 V N 0.547 120.483 119.914 0.035 0.000 2.358 653 V HA -0.217 3.906 4.120 0.005 0.000 0.246 653 V C 2.366 178.532 176.094 0.121 0.000 1.047 653 V CA 2.007 64.353 62.300 0.076 0.000 1.035 653 V CB -0.878 30.954 31.823 0.015 0.000 0.658 653 V HN 0.533 nan 8.190 nan 0.000 0.452 654 N N -0.377 118.339 118.700 0.028 0.000 2.149 654 N HA -0.169 4.573 4.740 0.005 0.000 0.188 654 N C 1.662 177.152 175.510 -0.034 0.000 1.019 654 N CA 1.592 54.633 53.050 -0.015 0.000 0.857 654 N CB -0.363 38.076 38.487 -0.080 0.000 0.997 654 N HN 0.548 nan 8.380 nan 0.000 0.426 655 F N 0.184 119.996 119.950 -0.229 0.000 2.022 655 F HA -0.152 4.378 4.527 0.004 0.000 0.293 655 F C 2.370 178.192 175.800 0.037 0.000 1.142 655 F CA 1.404 59.275 58.000 -0.216 0.000 1.177 655 F CB -1.026 37.693 39.000 -0.467 0.000 0.982 655 F HN 0.094 nan 8.300 nan 0.000 0.473 656 W N 0.944 122.200 121.300 -0.074 0.000 2.274 656 W HA -0.334 4.329 4.660 0.005 0.000 0.314 656 W C 2.122 178.559 176.519 -0.136 0.000 1.254 656 W CA 2.458 59.736 57.345 -0.111 0.000 1.265 656 W CB -0.655 28.803 29.460 -0.003 0.000 1.141 656 W HN 0.272 nan 8.180 nan 0.000 0.505 657 L N 0.136 121.394 121.223 0.059 0.000 2.072 657 L HA -0.114 4.229 4.340 0.005 0.000 0.205 657 L C 2.421 179.119 176.870 -0.287 0.000 1.079 657 L CA 1.882 56.665 54.840 -0.095 0.000 0.752 657 L CB -1.374 40.743 42.059 0.097 0.000 0.906 657 L HN 0.148 nan 8.230 nan 0.000 0.436 658 L N -0.730 120.295 121.223 -0.329 0.000 2.129 658 L HA -0.247 4.096 4.340 0.005 0.000 0.212 658 L C 2.005 178.477 176.870 -0.664 0.000 1.087 658 L CA 1.940 56.497 54.840 -0.472 0.000 0.757 658 L CB -0.893 40.834 42.059 -0.553 0.000 0.896 658 L HN 0.457 nan 8.230 nan 0.000 0.434 659 H N -2.124 116.657 119.070 -0.481 0.000 2.549 659 H HA 0.186 4.745 4.556 0.005 0.000 0.279 659 H C 1.152 176.144 175.328 -0.560 0.000 1.018 659 H CA 0.533 56.288 56.048 -0.489 0.000 1.175 659 H CB 0.205 29.628 29.762 -0.564 0.000 1.485 659 H HN 0.452 nan 8.280 nan 0.000 0.543 660 N N 0.207 118.546 118.700 -0.602 0.000 2.545 660 N HA 0.129 4.872 4.740 0.005 0.000 0.190 660 N C 0.499 175.839 175.510 -0.283 0.000 1.043 660 N CA 0.946 53.641 53.050 -0.591 0.000 0.879 660 N CB 1.103 38.960 38.487 -1.051 0.000 1.210 660 N HN 0.368 nan 8.380 nan 0.000 0.437 661 G N -0.338 108.333 108.800 -0.215 0.000 2.787 661 G HA2 -0.039 3.923 3.960 0.005 0.000 0.685 661 G HA3 -0.039 3.923 3.960 0.005 0.000 0.685 661 G C -0.898 174.063 174.900 0.101 0.000 1.437 661 G CA -0.132 44.925 45.100 -0.072 0.000 0.872 661 G HN 0.533 nan 8.290 nan 0.000 0.566 662 F N 0.168 120.077 119.950 -0.068 0.000 2.740 662 F HA 0.714 5.243 4.527 0.004 0.000 0.312 662 F C -0.423 175.363 175.800 -0.023 0.000 1.121 662 F CA 0.559 58.542 58.000 -0.028 0.000 0.977 662 F CB 1.188 40.189 39.000 0.002 0.000 1.265 662 F HN 2.007 nan 8.300 nan 0.000 0.443 663 S N 2.480 117.465 115.700 -1.191 0.000 2.636 663 S HA 0.878 5.351 4.470 0.005 0.000 0.266 663 S C -1.922 172.239 174.600 -0.733 0.000 1.147 663 S CA -0.060 57.674 58.200 -0.777 0.000 0.815 663 S CB 1.681 64.675 63.200 -0.344 0.000 1.119 663 S HN 1.031 nan 8.310 nan 0.000 0.470 664 T N 0.984 115.298 114.554 -0.399 0.000 2.909 664 T HA 0.852 5.205 4.350 0.005 0.000 0.299 664 T C 0.088 174.705 174.700 -0.139 0.000 1.073 664 T CA -0.356 61.606 62.100 -0.231 0.000 0.999 664 T CB 1.419 70.197 68.868 -0.150 0.000 1.098 664 T HN 1.213 nan 8.240 nan 0.000 0.477 665 G N 0.152 108.898 108.800 -0.090 0.000 2.866 665 G HA2 0.550 4.512 3.960 0.005 0.000 0.289 665 G HA3 0.550 4.512 3.960 0.005 0.000 0.289 665 G C 0.297 175.174 174.900 -0.039 0.000 1.396 665 G CA -1.041 44.022 45.100 -0.062 0.000 0.848 665 G HN 0.697 nan 8.290 nan 0.000 0.515 666 I N 0.033 120.585 120.570 -0.029 0.000 3.334 666 I HA 0.153 4.325 4.170 0.005 0.000 0.282 666 I C 2.373 178.484 176.117 -0.011 0.000 1.313 666 I CA 0.861 62.151 61.300 -0.017 0.000 1.396 666 I CB -0.727 37.264 38.000 -0.014 0.000 1.054 666 I HN 0.460 nan 8.210 nan 0.000 0.495 667 G N 1.451 110.242 108.800 -0.015 0.000 2.450 667 G HA2 -0.245 3.718 3.960 0.005 0.000 0.220 667 G HA3 -0.245 3.718 3.960 0.005 0.000 0.220 667 G C 0.719 175.620 174.900 0.001 0.000 1.130 667 G CA 1.098 46.193 45.100 -0.007 0.000 0.760 667 G HN 0.532 nan 8.290 nan 0.000 0.557 668 D N -0.506 119.894 120.400 0.000 0.000 2.427 668 D HA 0.211 4.854 4.640 0.005 0.000 0.224 668 D C 1.591 177.900 176.300 0.016 0.000 1.157 668 D CA 0.557 54.565 54.000 0.013 0.000 0.828 668 D CB 0.493 41.304 40.800 0.018 0.000 0.974 668 D HN 0.366 nan 8.370 nan 0.000 0.498 669 T N -2.605 111.956 114.554 0.011 0.000 3.040 669 T HA 0.225 4.578 4.350 0.005 0.000 0.266 669 T C 0.669 175.376 174.700 0.012 0.000 1.005 669 T CA -0.316 61.792 62.100 0.014 0.000 0.906 669 T CB 0.468 69.345 68.868 0.015 0.000 1.082 669 T HN 0.018 nan 8.240 nan 0.000 0.531 670 I N 2.998 123.575 120.570 0.011 0.000 2.322 670 I HA 0.564 4.736 4.170 0.005 0.000 0.292 670 I C 0.799 176.925 176.117 0.015 0.000 1.060 670 I CA -0.721 60.586 61.300 0.011 0.000 1.309 670 I CB 0.219 38.225 38.000 0.009 0.000 1.415 670 I HN 0.227 nan 8.210 nan 0.000 0.492 671 A N 5.490 128.319 122.820 0.016 0.000 2.246 671 A HA 0.303 4.626 4.320 0.005 0.000 0.291 671 A C 0.124 177.718 177.584 0.018 0.000 1.103 671 A CA -0.429 51.620 52.037 0.020 0.000 0.844 671 A CB 0.488 19.500 19.000 0.021 0.000 1.136 671 A HN 0.646 nan 8.150 nan 0.000 0.500 672 D N -0.696 119.716 120.400 0.020 0.000 2.352 672 D HA 0.348 4.990 4.640 0.005 0.000 0.238 672 D C 1.619 177.929 176.300 0.016 0.000 1.286 672 D CA 1.269 55.280 54.000 0.018 0.000 0.923 672 D CB 0.405 41.217 40.800 0.020 0.000 1.146 672 D HN 0.500 nan 8.370 nan 0.000 0.471 673 G N 0.363 109.172 108.800 0.014 0.000 2.808 673 G HA2 -0.153 3.809 3.960 0.005 0.000 0.211 673 G HA3 -0.153 3.809 3.960 0.005 0.000 0.211 673 G C -1.003 173.906 174.900 0.015 0.000 1.364 673 G CA 0.815 45.923 45.100 0.013 0.000 0.824 673 G HN 0.476 nan 8.290 nan 0.000 0.630 674 P HA -0.221 nan 4.420 nan 0.000 0.229 674 P C 1.982 179.292 177.300 0.018 0.000 1.152 674 P CA 2.590 65.699 63.100 0.016 0.000 0.915 674 P CB -0.417 31.292 31.700 0.015 0.000 0.784 675 T N -2.010 112.556 114.554 0.020 0.000 2.857 675 T HA -0.074 4.278 4.350 0.005 0.000 0.266 675 T C 1.712 176.426 174.700 0.023 0.000 1.048 675 T CA 1.190 63.304 62.100 0.024 0.000 1.139 675 T CB -0.459 68.424 68.868 0.026 0.000 0.874 675 T HN -0.026 nan 8.240 nan 0.000 0.455 676 M N 1.046 120.658 119.600 0.020 0.000 2.117 676 M HA 0.047 4.530 4.480 0.005 0.000 0.262 676 M C 2.251 178.563 176.300 0.020 0.000 1.065 676 M CA 1.310 56.621 55.300 0.018 0.000 1.114 676 M CB -0.997 31.612 32.600 0.015 0.000 1.361 676 M HN 0.108 nan 8.290 nan 0.000 0.408 677 R N -0.238 120.274 120.500 0.019 0.000 2.115 677 R HA -0.119 4.224 4.340 0.005 0.000 0.230 677 R C 2.093 178.405 176.300 0.020 0.000 1.111 677 R CA 1.142 57.253 56.100 0.019 0.000 0.976 677 R CB 0.055 30.364 30.300 0.016 0.000 0.870 677 R HN 0.492 nan 8.270 nan 0.000 0.445 678 E N 0.292 120.505 120.200 0.021 0.000 2.015 678 E HA -0.199 4.154 4.350 0.005 0.000 0.191 678 E C 2.044 178.661 176.600 0.028 0.000 0.991 678 E CA 1.317 57.730 56.400 0.023 0.000 0.802 678 E CB -0.157 29.557 29.700 0.024 0.000 0.759 678 E HN 0.284 nan 8.360 nan 0.000 0.447 679 I N 1.082 121.671 120.570 0.032 0.000 2.143 679 I HA -0.369 3.804 4.170 0.005 0.000 0.245 679 I C 2.586 178.728 176.117 0.042 0.000 1.068 679 I CA 1.441 62.764 61.300 0.038 0.000 1.326 679 I CB -0.424 37.596 38.000 0.033 0.000 1.028 679 I HN 0.146 nan 8.210 nan 0.000 0.412 680 T N 0.092 114.667 114.554 0.035 0.000 2.737 680 T HA -0.180 4.173 4.350 0.005 0.000 0.265 680 T C 1.767 176.489 174.700 0.036 0.000 1.038 680 T CA 1.605 63.728 62.100 0.039 0.000 1.144 680 T CB -0.238 68.650 68.868 0.033 0.000 0.866 680 T HN 0.591 nan 8.240 nan 0.000 0.434 681 E N 0.716 120.932 120.200 0.027 0.000 2.347 681 E HA -0.096 4.257 4.350 0.005 0.000 0.196 681 E C 1.586 178.195 176.600 0.015 0.000 1.008 681 E CA 1.125 57.537 56.400 0.019 0.000 0.852 681 E CB -0.366 29.342 29.700 0.014 0.000 0.783 681 E HN 0.436 nan 8.360 nan 0.000 0.505 682 T N 1.847 116.415 114.554 0.023 0.000 2.732 682 T HA -0.045 4.308 4.350 0.005 0.000 0.261 682 T C 2.006 176.718 174.700 0.020 0.000 1.040 682 T CA 0.763 62.875 62.100 0.020 0.000 1.145 682 T CB -0.079 68.810 68.868 0.035 0.000 0.866 682 T HN 0.055 nan 8.240 nan 0.000 0.427 683 I N 2.281 122.881 120.570 0.049 0.000 2.145 683 I HA -0.212 3.960 4.170 0.005 0.000 0.244 683 I C 2.930 179.059 176.117 0.020 0.000 1.075 683 I CA 1.509 62.850 61.300 0.069 0.000 1.332 683 I CB -1.569 36.513 38.000 0.136 0.000 1.033 683 I HN 0.240 nan 8.210 nan 0.000 0.410 684 A N 0.491 123.325 122.820 0.022 0.000 1.933 684 A HA -0.211 4.112 4.320 0.005 0.000 0.218 684 A C 2.239 179.810 177.584 -0.022 0.000 1.175 684 A CA 1.610 53.651 52.037 0.008 0.000 0.628 684 A CB -0.665 18.346 19.000 0.018 0.000 0.814 684 A HN 0.652 nan 8.150 nan 0.000 0.444 685 E N 0.052 120.233 120.200 -0.031 0.000 2.418 685 E HA 0.040 4.393 4.350 0.005 0.000 0.197 685 E C 1.694 178.233 176.600 -0.102 0.000 1.026 685 E CA 0.870 57.236 56.400 -0.058 0.000 0.862 685 E CB -0.185 29.484 29.700 -0.052 0.000 0.799 685 E HN 0.483 nan 8.360 nan 0.000 0.518 686 A N 1.771 124.532 122.820 -0.099 0.000 1.935 686 A HA -0.019 4.304 4.320 0.005 0.000 0.214 686 A C 2.106 179.606 177.584 -0.139 0.000 1.178 686 A CA 0.617 52.568 52.037 -0.143 0.000 0.640 686 A CB -0.075 18.849 19.000 -0.127 0.000 0.825 686 A HN 0.047 nan 8.150 nan 0.000 0.447 687 K N 0.121 120.452 120.400 -0.114 0.000 2.026 687 K HA -0.114 4.209 4.320 0.005 0.000 0.208 687 K C 1.704 178.278 176.600 -0.043 0.000 1.048 687 K CA 1.165 57.403 56.287 -0.082 0.000 0.929 687 K CB -0.182 32.298 32.500 -0.035 0.000 0.713 687 K HN 0.237 nan 8.250 nan 0.000 0.439 688 K N 1.805 122.179 120.400 -0.044 0.000 2.486 688 K HA -0.076 4.247 4.320 0.005 0.000 0.194 688 K C 1.733 178.300 176.600 -0.055 0.000 1.033 688 K CA 0.648 56.916 56.287 -0.031 0.000 1.004 688 K CB 0.206 32.691 32.500 -0.025 0.000 0.798 688 K HN 0.084 nan 8.250 nan 0.000 0.495 689 K N -0.085 120.251 120.400 -0.106 0.000 2.276 689 K HA 0.033 4.356 4.320 0.005 0.000 0.198 689 K C 1.652 178.220 176.600 -0.054 0.000 1.052 689 K CA 0.248 56.432 56.287 -0.171 0.000 0.984 689 K CB 0.392 32.643 32.500 -0.416 0.000 0.836 689 K HN -0.164 nan 8.250 nan 0.000 0.490 690 V N 2.429 122.355 119.914 0.020 0.000 2.626 690 V HA -0.214 3.909 4.120 0.005 0.000 0.252 690 V C 2.267 178.432 176.094 0.119 0.000 1.067 690 V CA 1.007 63.379 62.300 0.121 0.000 1.081 690 V CB -0.301 31.547 31.823 0.043 0.000 0.686 690 V HN 0.414 nan 8.190 nan 0.000 0.468 691 L N 0.382 121.651 121.223 0.077 0.000 1.994 691 L HA -0.160 4.183 4.340 0.005 0.000 0.208 691 L C 2.279 179.205 176.870 0.094 0.000 1.071 691 L CA 2.274 57.166 54.840 0.087 0.000 0.745 691 L CB -1.300 40.790 42.059 0.053 0.000 0.892 691 L HN 0.334 nan 8.230 nan 0.000 0.431 692 D N -0.391 120.049 120.400 0.066 0.000 2.133 692 D HA -0.173 4.469 4.640 0.005 0.000 0.195 692 D C 2.309 178.674 176.300 0.110 0.000 0.997 692 D CA 1.479 55.518 54.000 0.066 0.000 0.840 692 D CB -0.264 40.553 40.800 0.030 0.000 0.947 692 D HN 0.251 nan 8.370 nan 0.000 0.452 693 V N 0.992 121.005 119.914 0.165 0.000 2.261 693 V HA -0.239 3.883 4.120 0.005 0.000 0.246 693 V C 2.490 178.755 176.094 0.284 0.000 1.047 693 V CA 2.116 64.549 62.300 0.222 0.000 1.015 693 V CB -1.087 30.880 31.823 0.240 0.000 0.642 693 V HN 0.222 nan 8.190 nan 0.000 0.446 694 T N -0.535 114.239 114.554 0.366 0.000 2.803 694 T HA -0.274 4.079 4.350 0.005 0.000 0.269 694 T C 1.927 176.679 174.700 0.086 0.000 1.052 694 T CA 1.884 64.162 62.100 0.297 0.000 1.136 694 T CB -0.203 68.838 68.868 0.288 0.000 0.864 694 T HN 0.339 nan 8.240 nan 0.000 0.467 695 K N 1.163 121.618 120.400 0.091 0.000 2.007 695 K HA -0.061 4.262 4.320 0.005 0.000 0.206 695 K C 2.418 179.038 176.600 0.033 0.000 1.047 695 K CA 1.403 57.719 56.287 0.048 0.000 0.937 695 K CB -0.149 32.382 32.500 0.050 0.000 0.718 695 K HN 0.516 nan 8.250 nan 0.000 0.438 696 E N -0.194 120.038 120.200 0.054 0.000 2.077 696 E HA -0.205 4.148 4.350 0.005 0.000 0.193 696 E C 1.729 178.343 176.600 0.023 0.000 0.989 696 E CA 1.280 57.706 56.400 0.043 0.000 0.800 696 E CB -0.221 29.517 29.700 0.063 0.000 0.746 696 E HN 0.323 nan 8.360 nan 0.000 0.452 697 A N 0.574 123.409 122.820 0.025 0.000 2.015 697 A HA -0.178 4.145 4.320 0.005 0.000 0.219 697 A C 2.058 179.576 177.584 -0.110 0.000 1.163 697 A CA 1.453 53.467 52.037 -0.038 0.000 0.646 697 A CB -0.354 18.606 19.000 -0.067 0.000 0.806 697 A HN 0.379 nan 8.150 nan 0.000 0.448 698 Q N -1.093 118.642 119.800 -0.107 0.000 2.187 698 Q HA 0.114 4.456 4.340 0.005 0.000 0.199 698 Q C 2.069 178.034 176.000 -0.058 0.000 0.957 698 Q CA 0.905 56.643 55.803 -0.108 0.000 0.857 698 Q CB -0.169 28.515 28.738 -0.091 0.000 0.929 698 Q HN 0.649 nan 8.270 nan 0.000 0.453 699 A N 0.740 123.540 122.820 -0.032 0.000 2.238 699 A HA -0.035 4.288 4.320 0.005 0.000 0.208 699 A C 0.470 178.045 177.584 -0.015 0.000 1.177 699 A CA 0.159 52.186 52.037 -0.016 0.000 0.804 699 A CB 0.070 19.069 19.000 -0.002 0.000 0.823 699 A HN 0.415 nan 8.150 nan 0.000 0.482 700 N N -1.624 117.062 118.700 -0.023 0.000 2.816 700 N HA -0.128 4.614 4.740 0.005 0.000 0.247 700 N C -0.016 175.490 175.510 -0.006 0.000 1.100 700 N CA 0.963 54.002 53.050 -0.019 0.000 0.687 700 N CB -1.622 36.854 38.487 -0.019 0.000 1.003 700 N HN 0.497 nan 8.380 nan 0.000 0.554 701 L N -1.079 120.145 121.223 0.002 0.000 3.184 701 L HA 0.306 4.649 4.340 0.005 0.000 0.283 701 L C 0.323 177.205 176.870 0.020 0.000 1.218 701 L CA -0.456 54.390 54.840 0.011 0.000 1.028 701 L CB 0.357 42.425 42.059 0.015 0.000 1.400 701 L HN 0.080 nan 8.230 nan 0.000 0.591 702 L N 1.821 123.055 121.223 0.019 0.000 2.305 702 L HA 0.476 4.819 4.340 0.005 0.000 0.281 702 L C -0.072 176.810 176.870 0.020 0.000 1.085 702 L CA 0.755 55.614 54.840 0.031 0.000 0.813 702 L CB 1.019 43.103 42.059 0.042 0.000 1.157 702 L HN 0.039 nan 8.230 nan 0.000 0.436 703 T N 3.955 118.524 114.554 0.024 0.000 2.902 703 T HA 0.682 5.035 4.350 0.005 0.000 0.283 703 T C 0.198 174.909 174.700 0.018 0.000 1.009 703 T CA -0.453 61.658 62.100 0.018 0.000 1.051 703 T CB 1.328 70.208 68.868 0.020 0.000 0.999 703 T HN 0.864 nan 8.240 nan 0.000 0.474 704 A N 2.779 125.604 122.820 0.008 0.000 2.520 704 A HA 0.257 4.580 4.320 0.005 0.000 0.245 704 A C 0.423 178.016 177.584 0.016 0.000 1.072 704 A CA -0.193 51.845 52.037 0.002 0.000 0.761 704 A CB -0.219 18.768 19.000 -0.021 0.000 1.004 704 A HN 0.791 nan 8.150 nan 0.000 0.499 705 K N 1.583 121.994 120.400 0.019 0.000 2.412 705 K HA 0.042 4.365 4.320 0.005 0.000 0.281 705 K C 0.178 176.806 176.600 0.046 0.000 1.027 705 K CA 0.085 56.397 56.287 0.042 0.000 0.989 705 K CB 0.215 32.735 32.500 0.033 0.000 0.935 705 K HN 0.860 nan 8.250 nan 0.000 0.475 706 H N 1.626 120.700 119.070 0.006 0.000 3.192 706 H HA -0.001 4.558 4.556 0.005 0.000 0.295 706 H C 0.715 176.047 175.328 0.005 0.000 0.943 706 H CA 1.576 57.625 56.048 0.001 0.000 1.416 706 H CB 0.005 29.765 29.762 -0.004 0.000 1.434 706 H HN 0.799 nan 8.280 nan 0.000 0.565 707 G N 5.261 113.715 108.800 -0.576 0.000 2.415 707 G HA2 -0.156 3.807 3.960 0.005 0.000 0.283 707 G HA3 -0.156 3.807 3.960 0.005 0.000 0.283 707 G C -0.318 174.512 174.900 -0.116 0.000 1.014 707 G CA 0.387 45.288 45.100 -0.332 0.000 1.323 707 G HN 1.004 nan 8.290 nan 0.000 0.502 708 M N -1.866 117.676 119.600 -0.096 0.000 2.860 708 M HA 0.436 4.919 4.480 0.005 0.000 0.270 708 M C 0.032 176.309 176.300 -0.038 0.000 0.988 708 M CA -0.882 54.391 55.300 -0.045 0.000 0.807 708 M CB -0.037 32.552 32.600 -0.018 0.000 1.708 708 M HN 0.281 nan 8.290 nan 0.000 0.558 709 T N 1.138 115.679 114.554 -0.023 0.000 2.854 709 T HA 0.106 4.459 4.350 0.005 0.000 0.336 709 T C 1.134 175.827 174.700 -0.011 0.000 1.095 709 T CA -0.159 61.931 62.100 -0.017 0.000 1.118 709 T CB 0.516 69.380 68.868 -0.007 0.000 1.025 709 T HN 0.576 nan 8.240 nan 0.000 0.549 710 L N 1.339 122.554 121.223 -0.014 0.000 1.970 710 L HA -0.109 4.234 4.340 0.005 0.000 0.212 710 L C 2.926 179.804 176.870 0.015 0.000 1.071 710 L CA 1.796 56.633 54.840 -0.006 0.000 0.751 710 L CB -0.444 41.599 42.059 -0.027 0.000 0.889 710 L HN 0.576 nan 8.230 nan 0.000 0.432 711 R N -0.817 119.679 120.500 -0.006 0.000 2.170 711 R HA -0.228 4.115 4.340 0.005 0.000 0.242 711 R C 2.182 178.529 176.300 0.078 0.000 1.145 711 R CA 1.593 57.702 56.100 0.015 0.000 0.984 711 R CB -0.313 29.978 30.300 -0.015 0.000 0.869 711 R HN 0.496 nan 8.270 nan 0.000 0.455 712 E N -0.201 120.023 120.200 0.040 0.000 2.072 712 E HA -0.097 4.256 4.350 0.005 0.000 0.190 712 E C 1.957 178.570 176.600 0.020 0.000 0.982 712 E CA 1.205 57.621 56.400 0.027 0.000 0.803 712 E CB 0.196 29.900 29.700 0.007 0.000 0.755 712 E HN 0.187 nan 8.360 nan 0.000 0.453 713 S N 0.575 116.290 115.700 0.024 0.000 2.359 713 S HA -0.192 4.281 4.470 0.005 0.000 0.224 713 S C 1.602 176.201 174.600 -0.002 0.000 1.035 713 S CA 1.137 59.340 58.200 0.006 0.000 1.018 713 S CB -0.448 62.763 63.200 0.018 0.000 0.876 713 S HN 0.318 nan 8.310 nan 0.000 0.448 714 F N 2.897 122.795 119.950 -0.085 0.000 2.027 714 F HA -0.222 4.308 4.527 0.005 0.000 0.297 714 F C 2.453 178.189 175.800 -0.105 0.000 1.129 714 F CA 1.890 59.830 58.000 -0.099 0.000 1.195 714 F CB -0.439 38.495 39.000 -0.110 0.000 0.960 714 F HN 0.052 nan 8.300 nan 0.000 0.485 715 E N 0.484 120.647 120.200 -0.061 0.000 2.070 715 E HA -0.290 4.063 4.350 0.005 0.000 0.197 715 E C 2.123 178.592 176.600 -0.218 0.000 1.004 715 E CA 1.557 57.871 56.400 -0.143 0.000 0.805 715 E CB -1.023 28.679 29.700 0.003 0.000 0.744 715 E HN 0.623 nan 8.360 nan 0.000 0.451 716 D N 0.549 120.851 120.400 -0.163 0.000 2.092 716 D HA -0.185 4.458 4.640 0.005 0.000 0.193 716 D C 1.458 177.582 176.300 -0.293 0.000 0.994 716 D CA 1.095 54.993 54.000 -0.169 0.000 0.828 716 D CB 0.007 40.742 40.800 -0.108 0.000 0.963 716 D HN 0.028 nan 8.370 nan 0.000 0.450 717 N N 0.242 118.703 118.700 -0.399 0.000 2.104 717 N HA -0.134 4.608 4.740 0.005 0.000 0.190 717 N C 2.051 176.994 175.510 -0.946 0.000 1.024 717 N CA 0.713 53.334 53.050 -0.715 0.000 0.853 717 N CB -0.530 37.565 38.487 -0.654 0.000 1.008 717 N HN 0.171 nan 8.380 nan 0.000 0.424 718 V N 0.676 120.183 119.914 -0.677 0.000 2.358 718 V HA -0.128 3.995 4.120 0.005 0.000 0.246 718 V C 2.328 178.249 176.094 -0.289 0.000 1.047 718 V CA 1.034 63.039 62.300 -0.492 0.000 1.035 718 V CB -0.376 31.099 31.823 -0.579 0.000 0.658 718 V HN 0.069 nan 8.190 nan 0.000 0.452 719 V N -0.297 119.471 119.914 -0.244 0.000 2.515 719 V HA -0.209 3.914 4.120 0.005 0.000 0.250 719 V C 2.467 178.506 176.094 -0.090 0.000 1.058 719 V CA 1.897 64.124 62.300 -0.121 0.000 1.064 719 V CB -0.841 30.929 31.823 -0.087 0.000 0.675 719 V HN 0.427 nan 8.190 nan 0.000 0.461 720 R N -0.577 119.822 120.500 -0.168 0.000 2.090 720 R HA -0.020 4.323 4.340 0.005 0.000 0.228 720 R C 2.285 178.613 176.300 0.046 0.000 1.110 720 R CA 1.406 57.451 56.100 -0.091 0.000 0.973 720 R CB -0.238 29.963 30.300 -0.164 0.000 0.869 720 R HN 0.510 nan 8.270 nan 0.000 0.440 721 F N 0.144 120.043 119.950 -0.086 0.000 2.234 721 F HA -0.161 4.369 4.527 0.005 0.000 0.299 721 F C 1.794 177.528 175.800 -0.110 0.000 1.087 721 F CA 0.405 58.347 58.000 -0.095 0.000 1.340 721 F CB 0.135 39.060 39.000 -0.125 0.000 1.031 721 F HN 0.042 nan 8.300 nan 0.000 0.500 722 L N -0.908 120.345 121.223 0.051 0.000 2.416 722 L HA -0.013 4.330 4.340 0.005 0.000 0.216 722 L C 1.696 178.649 176.870 0.138 0.000 1.098 722 L CA 0.144 54.953 54.840 -0.051 0.000 0.840 722 L CB -0.428 41.505 42.059 -0.210 0.000 0.981 722 L HN 0.023 nan 8.230 nan 0.000 0.462 723 N N 0.367 119.135 118.700 0.113 0.000 2.250 723 N HA -0.109 4.634 4.740 0.005 0.000 0.181 723 N C 1.654 177.241 175.510 0.128 0.000 1.017 723 N CA 1.001 54.126 53.050 0.126 0.000 0.866 723 N CB 0.148 38.684 38.487 0.082 0.000 0.985 723 N HN 0.386 nan 8.380 nan 0.000 0.429 724 E N 0.859 121.128 120.200 0.115 0.000 2.107 724 E HA 0.013 4.365 4.350 0.005 0.000 0.191 724 E C 1.949 178.613 176.600 0.107 0.000 0.982 724 E CA 0.709 57.173 56.400 0.107 0.000 0.809 724 E CB -0.017 29.746 29.700 0.106 0.000 0.756 724 E HN 0.276 nan 8.360 nan 0.000 0.459 725 A N 2.131 125.013 122.820 0.103 0.000 1.869 725 A HA -0.284 4.039 4.320 0.005 0.000 0.218 725 A C 2.143 179.822 177.584 0.159 0.000 1.203 725 A CA 1.920 54.019 52.037 0.104 0.000 0.638 725 A CB -0.659 18.378 19.000 0.062 0.000 0.831 725 A HN 0.115 nan 8.150 nan 0.000 0.450 726 R N -0.746 119.881 120.500 0.211 0.000 2.159 726 R HA -0.181 4.162 4.340 0.005 0.000 0.237 726 R C 1.106 177.496 176.300 0.149 0.000 1.131 726 R CA 1.933 58.134 56.100 0.170 0.000 0.982 726 R CB -0.348 30.034 30.300 0.137 0.000 0.868 726 R HN 0.536 nan 8.270 nan 0.000 0.453 727 D N 0.032 120.542 120.400 0.184 0.000 2.144 727 D HA -0.096 4.546 4.640 0.005 0.000 0.207 727 D C 1.692 178.141 176.300 0.248 0.000 0.970 727 D CA 1.019 55.185 54.000 0.277 0.000 0.853 727 D CB -0.148 40.778 40.800 0.210 0.000 1.007 727 D HN 0.054 nan 8.370 nan 0.000 0.469 728 K N 1.070 121.556 120.400 0.145 0.000 2.074 728 K HA -0.109 4.214 4.320 0.005 0.000 0.209 728 K C 1.776 178.450 176.600 0.123 0.000 1.048 728 K CA 1.606 57.956 56.287 0.105 0.000 0.926 728 K CB -0.280 32.260 32.500 0.066 0.000 0.713 728 K HN 0.057 nan 8.250 nan 0.000 0.444 729 A N -0.284 122.611 122.820 0.125 0.000 2.016 729 A HA 0.092 4.415 4.320 0.005 0.000 0.217 729 A C 2.308 179.958 177.584 0.111 0.000 1.162 729 A CA 1.398 53.495 52.037 0.100 0.000 0.662 729 A CB -0.931 18.120 19.000 0.084 0.000 0.812 729 A HN 0.497 nan 8.150 nan 0.000 0.450 730 G N -0.300 108.598 108.800 0.163 0.000 2.414 730 G HA2 -0.195 3.768 3.960 0.005 0.000 0.215 730 G HA3 -0.195 3.768 3.960 0.005 0.000 0.215 730 G C 1.683 176.828 174.900 0.408 0.000 1.188 730 G CA 0.700 45.897 45.100 0.162 0.000 0.783 730 G HN 0.507 nan 8.290 nan 0.000 0.537 731 R N -0.454 120.359 120.500 0.521 0.000 2.241 731 R HA 0.134 4.477 4.340 0.005 0.000 0.224 731 R C 2.416 178.811 176.300 0.157 0.000 1.101 731 R CA 0.405 56.665 56.100 0.268 0.000 0.995 731 R CB -0.243 30.044 30.300 -0.021 0.000 0.870 731 R HN 0.331 nan 8.270 nan 0.000 0.463 732 L N -0.687 120.620 121.223 0.140 0.000 2.162 732 L HA 0.010 4.353 4.340 0.005 0.000 0.205 732 L C 2.237 179.157 176.870 0.083 0.000 1.086 732 L CA 0.656 55.547 54.840 0.086 0.000 0.778 732 L CB -0.112 41.989 42.059 0.070 0.000 0.928 732 L HN 0.173 nan 8.230 nan 0.000 0.446 733 A N -0.447 122.432 122.820 0.098 0.000 1.970 733 A HA -0.206 4.117 4.320 0.005 0.000 0.216 733 A C 2.105 179.743 177.584 0.091 0.000 1.170 733 A CA 1.290 53.371 52.037 0.074 0.000 0.645 733 A CB -0.345 18.683 19.000 0.047 0.000 0.816 733 A HN 0.505 nan 8.150 nan 0.000 0.447 734 E N -0.118 120.173 120.200 0.151 0.000 2.153 734 E HA -0.122 4.231 4.350 0.005 0.000 0.194 734 E C 1.484 178.145 176.600 0.101 0.000 0.988 734 E CA 1.342 57.836 56.400 0.158 0.000 0.811 734 E CB -0.167 29.703 29.700 0.283 0.000 0.746 734 E HN 0.222 nan 8.360 nan 0.000 0.466 735 V N 1.854 121.817 119.914 0.082 0.000 2.759 735 V HA -0.156 3.966 4.120 0.005 0.000 0.256 735 V C 2.095 178.216 176.094 0.045 0.000 1.080 735 V CA 1.786 64.118 62.300 0.053 0.000 1.101 735 V CB -0.522 31.325 31.823 0.040 0.000 0.698 735 V HN 0.477 nan 8.190 nan 0.000 0.477 736 N N -0.308 118.421 118.700 0.049 0.000 2.254 736 N HA 0.074 4.817 4.740 0.005 0.000 0.190 736 N C 0.506 176.039 175.510 0.040 0.000 1.107 736 N CA -0.141 52.932 53.050 0.040 0.000 0.869 736 N CB 0.339 38.848 38.487 0.037 0.000 0.983 736 N HN 0.372 nan 8.380 nan 0.000 0.487 737 L N 2.849 124.100 121.223 0.047 0.000 2.360 737 L HA 0.199 4.542 4.340 0.005 0.000 0.276 737 L C 0.631 177.528 176.870 0.045 0.000 1.121 737 L CA -0.222 54.646 54.840 0.046 0.000 0.845 737 L CB 0.897 42.988 42.059 0.054 0.000 1.143 737 L HN -0.020 nan 8.230 nan 0.000 0.452 738 K N 1.996 122.421 120.400 0.042 0.000 2.132 738 K HA 0.078 4.401 4.320 0.005 0.000 0.240 738 K C 0.239 176.867 176.600 0.045 0.000 1.036 738 K CA -0.858 55.453 56.287 0.040 0.000 0.888 738 K CB 0.793 33.316 32.500 0.038 0.000 1.071 738 K HN 0.453 nan 8.250 nan 0.000 0.502 739 D N 0.847 121.272 120.400 0.041 0.000 2.264 739 D HA -0.087 4.556 4.640 0.005 0.000 0.208 739 D C 1.606 177.939 176.300 0.055 0.000 0.966 739 D CA 1.158 55.183 54.000 0.042 0.000 0.864 739 D CB -0.032 40.787 40.800 0.032 0.000 0.933 739 D HN 0.394 nan 8.370 nan 0.000 0.499 740 L N -0.989 120.269 121.223 0.059 0.000 2.591 740 L HA 0.210 4.553 4.340 0.005 0.000 0.228 740 L C 0.601 177.524 176.870 0.089 0.000 1.133 740 L CA -0.238 54.647 54.840 0.075 0.000 0.880 740 L CB -0.790 41.307 42.059 0.063 0.000 1.033 740 L HN -0.274 nan 8.230 nan 0.000 0.450 741 N N 1.188 119.936 118.700 0.079 0.000 2.452 741 N HA 0.020 4.762 4.740 0.005 0.000 0.266 741 N C 0.942 176.525 175.510 0.121 0.000 1.175 741 N CA -0.097 53.002 53.050 0.081 0.000 0.945 741 N CB 0.490 39.016 38.487 0.065 0.000 1.063 741 N HN 0.146 nan 8.380 nan 0.000 0.472 742 N N 2.844 121.623 118.700 0.131 0.000 2.188 742 N HA -0.126 4.617 4.740 0.005 0.000 0.184 742 N C 1.363 176.999 175.510 0.210 0.000 1.018 742 N CA 0.878 54.064 53.050 0.226 0.000 0.858 742 N CB -0.223 38.298 38.487 0.057 0.000 0.989 742 N HN 0.324 nan 8.380 nan 0.000 0.426 743 V N 1.659 121.642 119.914 0.115 0.000 2.343 743 V HA -0.181 3.942 4.120 0.005 0.000 0.247 743 V C 2.426 178.585 176.094 0.108 0.000 1.051 743 V CA 1.455 63.815 62.300 0.101 0.000 1.036 743 V CB -0.498 31.361 31.823 0.060 0.000 0.654 743 V HN 0.312 nan 8.190 nan 0.000 0.451 744 K N -0.320 120.138 120.400 0.097 0.000 2.211 744 K HA -0.183 4.140 4.320 0.005 0.000 0.203 744 K C 2.182 178.829 176.600 0.078 0.000 1.050 744 K CA 1.269 57.606 56.287 0.083 0.000 0.945 744 K CB -0.044 32.500 32.500 0.073 0.000 0.732 744 K HN 0.514 nan 8.250 nan 0.000 0.451 745 Q N -0.403 119.457 119.800 0.100 0.000 2.311 745 Q HA -0.016 4.327 4.340 0.005 0.000 0.203 745 Q C 1.851 177.860 176.000 0.015 0.000 0.954 745 Q CA 0.927 56.762 55.803 0.052 0.000 0.885 745 Q CB 0.174 28.950 28.738 0.063 0.000 0.963 745 Q HN 0.372 nan 8.270 nan 0.000 0.471 746 M N -0.968 118.684 119.600 0.086 0.000 2.287 746 M HA -0.102 4.380 4.480 0.005 0.000 0.266 746 M C 2.057 178.387 176.300 0.050 0.000 1.079 746 M CA 0.682 56.026 55.300 0.074 0.000 1.146 746 M CB 0.230 32.921 32.600 0.151 0.000 1.374 746 M HN 0.034 nan 8.290 nan 0.000 0.435 747 V N 0.787 120.738 119.914 0.061 0.000 2.287 747 V HA -0.320 3.803 4.120 0.005 0.000 0.248 747 V C 2.314 178.429 176.094 0.036 0.000 1.053 747 V CA 1.947 64.281 62.300 0.055 0.000 1.027 747 V CB -0.468 31.398 31.823 0.071 0.000 0.646 747 V HN 0.477 nan 8.190 nan 0.000 0.447 748 M N -0.435 119.180 119.600 0.025 0.000 2.077 748 M HA -0.125 4.358 4.480 0.005 0.000 0.261 748 M C 2.340 178.635 176.300 -0.008 0.000 1.070 748 M CA 2.180 57.485 55.300 0.008 0.000 1.125 748 M CB -0.589 32.012 32.600 0.001 0.000 1.339 748 M HN 0.360 nan 8.290 nan 0.000 0.409 749 A N -0.250 122.555 122.820 -0.025 0.000 1.978 749 A HA 0.028 4.350 4.320 0.005 0.000 0.220 749 A C 1.815 179.390 177.584 -0.015 0.000 1.170 749 A CA 1.584 53.598 52.037 -0.038 0.000 0.636 749 A CB -1.250 17.709 19.000 -0.069 0.000 0.810 749 A HN 0.760 nan 8.150 nan 0.000 0.448 750 G N -1.520 107.282 108.800 0.004 0.000 2.132 750 G HA2 -0.248 3.715 3.960 0.005 0.000 0.228 750 G HA3 -0.248 3.715 3.960 0.005 0.000 0.228 750 G C 0.965 175.878 174.900 0.023 0.000 1.000 750 G CA 1.212 46.322 45.100 0.017 0.000 0.693 750 G HN 1.482 nan 8.290 nan 0.000 0.515 751 S N -1.402 114.313 115.700 0.025 0.000 2.421 751 S HA 0.427 4.900 4.470 0.005 0.000 0.224 751 S C 0.792 175.421 174.600 0.048 0.000 1.035 751 S CA 1.324 59.545 58.200 0.035 0.000 0.953 751 S CB 0.737 63.956 63.200 0.033 0.000 0.810 751 S HN 0.575 nan 8.310 nan 0.000 0.497 752 K N -0.301 120.132 120.400 0.056 0.000 2.578 752 K HA 0.520 4.843 4.320 0.005 0.000 0.269 752 K C -0.790 175.845 176.600 0.058 0.000 0.941 752 K CA 0.075 56.395 56.287 0.055 0.000 0.847 752 K CB 1.764 34.298 32.500 0.057 0.000 1.397 752 K HN 0.503 nan 8.250 nan 0.000 0.422 753 G N 0.793 109.623 108.800 0.051 0.000 2.541 753 G HA2 0.126 4.089 3.960 0.005 0.000 0.686 753 G HA3 0.126 4.089 3.960 0.005 0.000 0.686 753 G C -1.251 173.684 174.900 0.059 0.000 1.286 753 G CA -0.374 44.757 45.100 0.051 0.000 0.894 753 G HN 1.037 nan 8.290 nan 0.000 0.575 754 S N -1.560 114.178 115.700 0.063 0.000 2.636 754 S HA 0.618 5.090 4.470 0.005 0.000 0.266 754 S C 0.469 175.137 174.600 0.114 0.000 1.147 754 S CA 0.329 58.586 58.200 0.096 0.000 0.815 754 S CB 1.116 64.370 63.200 0.090 0.000 1.119 754 S HN 2.036 nan 8.310 nan 0.000 0.470 755 F N 1.311 121.277 119.950 0.027 0.000 2.087 755 F HA -0.123 4.406 4.527 0.005 0.000 0.299 755 F C 1.857 177.673 175.800 0.027 0.000 1.100 755 F CA 2.194 60.209 58.000 0.025 0.000 1.226 755 F CB -0.535 38.477 39.000 0.021 0.000 0.983 755 F HN 0.643 nan 8.300 nan 0.000 0.479 756 I N 0.824 121.263 120.570 -0.219 0.000 2.361 756 I HA -0.342 3.831 4.170 0.005 0.000 0.251 756 I C 2.143 178.123 176.117 -0.228 0.000 1.133 756 I CA 1.501 62.610 61.300 -0.319 0.000 1.413 756 I CB -0.646 37.302 38.000 -0.086 0.000 1.073 756 I HN 0.200 nan 8.210 nan 0.000 0.424 757 N N 0.943 119.580 118.700 -0.106 0.000 2.043 757 N HA -0.194 4.549 4.740 0.005 0.000 0.193 757 N C 1.937 177.406 175.510 -0.068 0.000 1.037 757 N CA 1.905 54.931 53.050 -0.041 0.000 0.851 757 N CB -0.415 38.074 38.487 0.004 0.000 1.027 757 N HN 0.313 nan 8.380 nan 0.000 0.422 758 I N 1.648 122.160 120.570 -0.097 0.000 2.151 758 I HA -0.248 3.924 4.170 0.005 0.000 0.243 758 I C 2.490 178.492 176.117 -0.191 0.000 1.080 758 I CA 1.069 62.308 61.300 -0.101 0.000 1.339 758 I CB -1.563 36.408 38.000 -0.048 0.000 1.039 758 I HN 0.032 nan 8.210 nan 0.000 0.409 759 A N 0.649 123.219 122.820 -0.416 0.000 1.873 759 A HA -0.262 4.061 4.320 0.005 0.000 0.218 759 A C 2.276 179.710 177.584 -0.249 0.000 1.193 759 A CA 1.945 53.723 52.037 -0.432 0.000 0.629 759 A CB -0.822 17.750 19.000 -0.713 0.000 0.826 759 A HN 0.577 nan 8.150 nan 0.000 0.447 760 Q N -1.401 118.263 119.800 -0.226 0.000 2.245 760 Q HA 0.054 4.397 4.340 0.005 0.000 0.201 760 Q C 2.154 178.053 176.000 -0.169 0.000 0.955 760 Q CA 1.065 56.717 55.803 -0.251 0.000 0.870 760 Q CB -0.149 28.467 28.738 -0.203 0.000 0.945 760 Q HN 0.701 nan 8.270 nan 0.000 0.461 761 M N -0.465 119.131 119.600 -0.007 0.000 2.254 761 M HA -0.091 4.392 4.480 0.005 0.000 0.265 761 M C 1.536 177.838 176.300 0.004 0.000 1.066 761 M CA 1.249 56.593 55.300 0.074 0.000 1.123 761 M CB 0.314 32.962 32.600 0.080 0.000 1.388 761 M HN 0.051 nan 8.290 nan 0.000 0.425 762 S N -1.065 114.612 115.700 -0.039 0.000 2.575 762 S HA 0.306 4.779 4.470 0.005 0.000 0.230 762 S C 1.528 176.104 174.600 -0.040 0.000 1.062 762 S CA 0.279 58.463 58.200 -0.027 0.000 0.913 762 S CB 0.539 63.733 63.200 -0.011 0.000 0.837 762 S HN 0.437 nan 8.310 nan 0.000 0.487 763 A N 0.287 123.066 122.820 -0.069 0.000 2.050 763 A HA 0.593 4.916 4.320 0.005 0.000 0.214 763 A C 0.772 178.309 177.584 -0.078 0.000 1.577 763 A CA 0.710 52.716 52.037 -0.052 0.000 0.752 763 A CB -0.196 18.781 19.000 -0.039 0.000 1.220 763 A HN 0.715 nan 8.150 nan 0.000 0.543 764 C N -0.737 118.481 119.300 -0.137 0.000 3.178 764 C HA 0.446 4.909 4.460 0.005 0.000 0.428 764 C C 1.224 176.035 174.990 -0.300 0.000 0.967 764 C CA -0.187 58.716 59.018 -0.192 0.000 1.205 764 C CB 0.603 28.288 27.740 -0.091 0.000 1.584 764 C HN 1.233 nan 8.230 nan 0.000 0.591 765 V N 4.951 124.602 119.914 -0.439 0.000 2.591 765 V HA 0.588 4.711 4.120 0.005 0.000 0.249 765 V C 1.422 177.270 176.094 -0.409 0.000 1.053 765 V CA 2.494 64.484 62.300 -0.517 0.000 1.068 765 V CB -0.618 30.718 31.823 -0.811 0.000 0.689 765 V HN 2.816 nan 8.190 nan 0.000 0.462 766 G N 0.304 108.795 108.800 -0.514 0.000 2.451 766 G HA2 -0.167 3.796 3.960 0.005 0.000 0.208 766 G HA3 -0.167 3.796 3.960 0.005 0.000 0.208 766 G C -0.568 174.079 174.900 -0.423 0.000 1.248 766 G CA 0.106 44.929 45.100 -0.460 0.000 0.989 766 G HN 1.016 nan 8.290 nan 0.000 0.559 767 Q N 0.197 119.952 119.800 -0.076 0.000 2.296 767 Q HA 0.639 4.982 4.340 0.005 0.000 0.257 767 Q C 0.051 176.053 176.000 0.004 0.000 0.942 767 Q CA -0.216 55.620 55.803 0.056 0.000 0.939 767 Q CB 1.118 29.975 28.738 0.198 0.000 1.198 767 Q HN 0.536 nan 8.270 nan 0.000 0.429 768 Q N 1.642 121.445 119.800 0.005 0.000 2.314 768 Q HA 0.426 4.768 4.340 0.005 0.000 0.258 768 Q C -1.058 174.957 176.000 0.024 0.000 0.954 768 Q CA 0.160 55.988 55.803 0.042 0.000 0.890 768 Q CB 1.331 30.123 28.738 0.091 0.000 1.210 768 Q HN 0.705 nan 8.270 nan 0.000 0.410 769 S N 1.062 116.782 115.700 0.033 0.000 2.540 769 S HA 0.814 5.287 4.470 0.005 0.000 0.275 769 S C -1.190 173.420 174.600 0.016 0.000 1.123 769 S CA -0.751 57.458 58.200 0.014 0.000 0.907 769 S CB 1.336 64.544 63.200 0.014 0.000 1.081 769 S HN 0.211 nan 8.310 nan 0.000 0.476 770 V N 2.469 122.386 119.914 0.004 0.000 2.656 770 V HA 0.572 4.695 4.120 0.005 0.000 0.307 770 V C -0.018 176.075 176.094 -0.001 0.000 1.051 770 V CA -0.709 61.593 62.300 0.004 0.000 0.893 770 V CB 1.063 32.888 31.823 0.004 0.000 0.999 770 V HN 1.160 nan 8.190 nan 0.000 0.426 771 E N 3.093 123.294 120.200 0.001 0.000 2.222 771 E HA -0.261 4.092 4.350 0.005 0.000 0.189 771 E C 1.331 177.931 176.600 -0.001 0.000 1.415 771 E CA 0.702 57.102 56.400 0.000 0.000 0.689 771 E CB -1.075 28.624 29.700 -0.002 0.000 1.107 771 E HN 1.515 nan 8.360 nan 0.000 0.350 772 G N 0.306 109.107 108.800 0.002 0.000 2.249 772 G HA2 -0.417 3.546 3.960 0.005 0.000 0.269 772 G HA3 -0.417 3.546 3.960 0.005 0.000 0.269 772 G C 0.267 175.164 174.900 -0.006 0.000 0.979 772 G CA 1.444 46.545 45.100 0.001 0.000 0.644 772 G HN 0.404 nan 8.290 nan 0.000 0.546 773 K N -0.069 120.324 120.400 -0.012 0.000 2.350 773 K HA 0.613 4.936 4.320 0.005 0.000 0.241 773 K C 0.641 177.223 176.600 -0.030 0.000 0.994 773 K CA -1.119 55.154 56.287 -0.023 0.000 0.839 773 K CB 1.372 33.853 32.500 -0.032 0.000 1.244 773 K HN 0.359 nan 8.250 nan 0.000 0.443 774 R N 0.885 121.360 120.500 -0.042 0.000 2.679 774 R HA 0.257 4.600 4.340 0.005 0.000 0.269 774 R C 0.203 176.452 176.300 -0.086 0.000 1.076 774 R CA -0.776 55.290 56.100 -0.057 0.000 1.160 774 R CB 0.003 30.270 30.300 -0.055 0.000 1.054 774 R HN 0.418 nan 8.270 nan 0.000 0.507 775 I N 1.315 121.817 120.570 -0.114 0.000 3.076 775 I HA -0.197 3.976 4.170 0.005 0.000 0.321 775 I C 0.973 177.038 176.117 -0.088 0.000 1.216 775 I CA 0.760 61.997 61.300 -0.106 0.000 1.460 775 I CB -0.698 37.149 38.000 -0.255 0.000 1.313 775 I HN 0.809 nan 8.210 nan 0.000 0.546 776 A N 7.890 130.698 122.820 -0.020 0.000 2.246 776 A HA 0.552 4.875 4.320 0.005 0.000 0.291 776 A C -0.186 177.495 177.584 0.161 0.000 1.103 776 A CA -0.558 51.452 52.037 -0.045 0.000 0.844 776 A CB 0.411 19.395 19.000 -0.027 0.000 1.136 776 A HN 0.584 nan 8.150 nan 0.000 0.500 777 F N 0.865 120.807 119.950 -0.012 0.000 2.439 777 F HA 0.292 4.822 4.527 0.005 0.000 0.356 777 F C 1.596 177.408 175.800 0.020 0.000 1.161 777 F CA -0.244 57.767 58.000 0.020 0.000 1.151 777 F CB 0.934 39.929 39.000 -0.009 0.000 1.222 777 F HN 0.778 nan 8.300 nan 0.000 0.558 778 G N 4.142 113.054 108.800 0.188 0.000 2.411 778 G HA2 -0.037 3.926 3.960 0.005 0.000 0.213 778 G HA3 -0.037 3.926 3.960 0.005 0.000 0.213 778 G C 0.309 175.065 174.900 -0.239 0.000 1.166 778 G CA 0.064 45.123 45.100 -0.067 0.000 0.802 778 G HN 0.333 nan 8.290 nan 0.000 0.533 779 F N 0.454 120.458 119.950 0.090 0.000 2.368 779 F HA 0.416 4.946 4.527 0.005 0.000 0.315 779 F C 0.783 176.591 175.800 0.014 0.000 1.145 779 F CA -1.299 56.721 58.000 0.033 0.000 1.095 779 F CB 0.830 39.829 39.000 -0.002 0.000 1.286 779 F HN -0.111 nan 8.300 nan 0.000 0.530 780 V N 0.330 120.356 119.914 0.185 0.000 2.458 780 V HA 0.039 4.162 4.120 0.005 0.000 0.287 780 V C 0.067 176.141 176.094 -0.032 0.000 1.009 780 V CA -0.713 61.639 62.300 0.087 0.000 1.091 780 V CB -0.388 31.474 31.823 0.064 0.000 0.960 780 V HN 0.875 nan 8.190 nan 0.000 0.476 781 D N 1.731 122.068 120.400 -0.105 0.000 3.006 781 D HA -0.207 4.435 4.640 0.005 0.000 0.208 781 D C 0.651 176.220 176.300 -1.219 0.000 1.116 781 D CA 2.087 55.778 54.000 -0.515 0.000 0.998 781 D CB -0.454 40.251 40.800 -0.158 0.000 1.124 781 D HN 0.997 nan 8.370 nan 0.000 0.413 782 R N -2.222 117.792 120.500 -0.809 0.000 2.885 782 R HA 0.723 5.065 4.340 0.005 0.000 0.260 782 R C 0.564 176.792 176.300 -0.120 0.000 1.107 782 R CA -0.724 55.005 56.100 -0.618 0.000 0.978 782 R CB 0.889 31.083 30.300 -0.176 0.000 1.227 782 R HN -0.158 nan 8.270 nan 0.000 0.473 783 T N -0.873 113.788 114.554 0.178 0.000 3.058 783 T HA 0.421 4.774 4.350 0.005 0.000 0.247 783 T C 0.066 175.172 174.700 0.677 0.000 0.987 783 T CA 0.126 62.494 62.100 0.447 0.000 1.062 783 T CB 0.232 69.285 68.868 0.309 0.000 1.048 783 T HN 0.320 nan 8.240 nan 0.000 0.468 784 L N 1.214 122.851 121.223 0.689 0.000 2.309 784 L HA 0.475 4.818 4.340 0.005 0.000 0.261 784 L C -2.104 174.796 176.870 0.050 0.000 1.021 784 L CA -2.449 52.680 54.840 0.481 0.000 0.823 784 L CB 2.154 44.536 42.059 0.539 0.000 1.366 784 L HN -0.158 nan 8.230 nan 0.000 0.423 785 P HA 0.014 nan 4.420 nan 0.000 0.256 785 P C 0.296 177.228 177.300 -0.614 0.000 1.335 785 P CA 0.661 63.347 63.100 -0.691 0.000 0.808 785 P CB -0.096 31.058 31.700 -0.911 0.000 1.305 786 H N -1.695 117.208 119.070 -0.277 0.000 2.520 786 H HA 0.287 4.846 4.556 0.005 0.000 0.284 786 H C 0.026 175.033 175.328 -0.535 0.000 1.037 786 H CA -0.064 55.746 56.048 -0.395 0.000 1.168 786 H CB 0.007 29.478 29.762 -0.485 0.000 1.497 786 H HN 0.183 nan 8.280 nan 0.000 0.547 787 F N 0.423 120.385 119.950 0.020 0.000 2.593 787 F HA 0.320 4.850 4.527 0.005 0.000 0.320 787 F C 0.615 176.385 175.800 -0.051 0.000 1.060 787 F CA -1.031 56.980 58.000 0.019 0.000 0.940 787 F CB 1.739 40.769 39.000 0.050 0.000 1.268 787 F HN -0.174 nan 8.300 nan 0.000 0.475 788 S N 0.515 116.322 115.700 0.178 0.000 2.645 788 S HA 0.328 4.801 4.470 0.005 0.000 0.266 788 S C -0.293 174.309 174.600 0.004 0.000 1.258 788 S CA -1.030 57.205 58.200 0.059 0.000 0.990 788 S CB 0.725 63.960 63.200 0.059 0.000 0.967 788 S HN 0.385 nan 8.310 nan 0.000 0.556 789 K N 1.122 121.496 120.400 -0.044 0.000 2.219 789 K HA 0.095 4.418 4.320 0.005 0.000 0.258 789 K C -0.457 176.097 176.600 -0.076 0.000 1.008 789 K CA -0.201 56.017 56.287 -0.115 0.000 0.928 789 K CB 0.108 32.562 32.500 -0.076 0.000 0.983 789 K HN 0.540 nan 8.250 nan 0.000 0.484 790 D N 1.860 122.183 120.400 -0.129 0.000 2.689 790 D HA -0.171 4.471 4.640 0.005 0.000 0.237 790 D C -0.835 175.579 176.300 0.190 0.000 1.148 790 D CA 1.174 55.236 54.000 0.104 0.000 0.656 790 D CB -0.757 40.146 40.800 0.172 0.000 1.050 790 D HN 0.569 nan 8.370 nan 0.000 0.426 791 D N -0.197 120.229 120.400 0.045 0.000 2.462 791 D HA 0.182 4.825 4.640 0.005 0.000 0.245 791 D C -0.099 176.271 176.300 0.115 0.000 1.122 791 D CA -0.653 53.428 54.000 0.135 0.000 0.864 791 D CB 0.264 41.105 40.800 0.068 0.000 1.098 791 D HN -0.010 nan 8.370 nan 0.000 0.541 792 Y N 1.468 121.866 120.300 0.163 0.000 2.532 792 Y HA 0.174 4.727 4.550 0.005 0.000 0.283 792 Y C 1.138 177.126 175.900 0.147 0.000 1.181 792 Y CA -0.469 57.744 58.100 0.188 0.000 1.256 792 Y CB -0.197 38.410 38.460 0.245 0.000 1.112 792 Y HN 0.268 nan 8.280 nan 0.000 0.521 793 S N -0.236 115.593 115.700 0.214 0.000 2.592 793 S HA 0.172 4.644 4.470 0.005 0.000 0.271 793 S C -1.625 173.027 174.600 0.087 0.000 1.326 793 S CA -1.281 57.012 58.200 0.155 0.000 1.024 793 S CB 1.510 64.792 63.200 0.136 0.000 0.921 793 S HN -0.060 nan 8.310 nan 0.000 0.527 794 P HA -0.321 nan 4.420 nan 0.000 0.222 794 P C 1.773 179.151 177.300 0.131 0.000 1.147 794 P CA 2.162 65.283 63.100 0.035 0.000 0.958 794 P CB -0.187 31.477 31.700 -0.060 0.000 0.788 795 E N -0.013 120.294 120.200 0.178 0.000 2.038 795 E HA -0.193 4.160 4.350 0.005 0.000 0.195 795 E C 2.173 178.843 176.600 0.117 0.000 1.000 795 E CA 2.035 58.581 56.400 0.243 0.000 0.803 795 E CB -1.564 28.326 29.700 0.316 0.000 0.750 795 E HN 0.229 nan 8.360 nan 0.000 0.448 796 S N 0.523 116.151 115.700 -0.119 0.000 2.387 796 S HA -0.133 4.340 4.470 0.005 0.000 0.230 796 S C 1.678 175.999 174.600 -0.465 0.000 1.035 796 S CA 1.425 59.205 58.200 -0.700 0.000 1.014 796 S CB -0.021 62.820 63.200 -0.598 0.000 0.836 796 S HN 0.128 nan 8.310 nan 0.000 0.466 797 K N -0.452 119.784 120.400 -0.273 0.000 2.358 797 K HA 0.318 4.641 4.320 0.005 0.000 0.200 797 K C 1.085 177.448 176.600 -0.395 0.000 1.030 797 K CA 0.749 56.863 56.287 -0.288 0.000 1.097 797 K CB 0.810 33.241 32.500 -0.114 0.000 0.862 797 K HN 0.472 nan 8.250 nan 0.000 0.534 798 G N 1.091 109.661 108.800 -0.383 0.000 2.456 798 G HA2 -0.168 3.795 3.960 0.005 0.000 0.208 798 G HA3 -0.168 3.795 3.960 0.005 0.000 0.208 798 G C -0.598 174.308 174.900 0.009 0.000 1.004 798 G CA -0.725 44.160 45.100 -0.358 0.000 0.791 798 G HN 0.147 nan 8.290 nan 0.000 0.537 799 F N 2.444 122.371 119.950 -0.038 0.000 2.445 799 F HA 0.548 5.078 4.527 0.005 0.000 0.359 799 F C 0.570 176.410 175.800 0.067 0.000 1.101 799 F CA -0.486 57.522 58.000 0.014 0.000 1.177 799 F CB 1.378 40.388 39.000 0.017 0.000 1.110 799 F HN -0.055 nan 8.300 nan 0.000 0.522 800 V N 7.754 127.358 119.914 -0.516 0.000 2.258 800 V HA 0.062 4.185 4.120 0.005 0.000 0.258 800 V C 1.196 176.927 176.094 -0.604 0.000 1.121 800 V CA -0.258 61.834 62.300 -0.348 0.000 0.942 800 V CB 0.588 32.232 31.823 -0.300 0.000 1.170 800 V HN 0.819 nan 8.190 nan 0.000 0.487 801 E N 2.932 122.957 120.200 -0.292 0.000 2.265 801 E HA -0.108 4.245 4.350 0.005 0.000 0.196 801 E C 0.776 177.315 176.600 -0.102 0.000 0.996 801 E CA 0.595 56.943 56.400 -0.087 0.000 0.832 801 E CB 0.347 30.172 29.700 0.208 0.000 0.756 801 E HN 0.665 nan 8.360 nan 0.000 0.491 802 N N 0.225 118.849 118.700 -0.127 0.000 2.413 802 N HA 0.091 4.834 4.740 0.005 0.000 0.266 802 N C -0.293 175.097 175.510 -0.200 0.000 1.238 802 N CA -0.024 52.961 53.050 -0.109 0.000 0.972 802 N CB 1.385 39.838 38.487 -0.058 0.000 1.210 802 N HN -0.071 nan 8.380 nan 0.000 0.547 803 S N -0.712 114.891 115.700 -0.161 0.000 2.681 803 S HA 0.333 4.806 4.470 0.005 0.000 0.299 803 S C 0.956 175.449 174.600 -0.179 0.000 1.113 803 S CA -0.703 57.366 58.200 -0.218 0.000 1.013 803 S CB 0.557 63.690 63.200 -0.112 0.000 1.076 803 S HN 0.536 nan 8.310 nan 0.000 0.534 804 Y N 0.152 120.411 120.300 -0.069 0.000 2.274 804 Y HA -0.109 4.444 4.550 0.005 0.000 0.290 804 Y C 2.322 178.196 175.900 -0.045 0.000 1.145 804 Y CA 0.685 58.753 58.100 -0.053 0.000 1.203 804 Y CB -0.076 38.358 38.460 -0.044 0.000 0.984 804 Y HN 0.503 nan 8.280 nan 0.000 0.533 805 L N 0.599 121.878 121.223 0.093 0.000 2.017 805 L HA -0.227 4.116 4.340 0.005 0.000 0.208 805 L C 2.215 179.098 176.870 0.023 0.000 1.073 805 L CA 1.971 56.838 54.840 0.045 0.000 0.745 805 L CB -0.471 41.602 42.059 0.024 0.000 0.894 805 L HN 0.243 nan 8.230 nan 0.000 0.432 806 R N -0.557 119.948 120.500 0.008 0.000 2.093 806 R HA 0.104 4.447 4.340 0.005 0.000 0.224 806 R C 0.359 176.661 176.300 0.003 0.000 1.101 806 R CA 0.656 56.756 56.100 0.000 0.000 0.979 806 R CB -0.007 30.287 30.300 -0.010 0.000 0.877 806 R HN 0.587 nan 8.270 nan 0.000 0.441 807 G N 0.624 109.429 108.800 0.008 0.000 3.067 807 G HA2 -0.144 3.819 3.960 0.005 0.000 0.686 807 G HA3 -0.144 3.819 3.960 0.005 0.000 0.686 807 G C -1.031 173.873 174.900 0.007 0.000 1.119 807 G CA -1.064 44.044 45.100 0.014 0.000 0.790 807 G HN 0.015 nan 8.290 nan 0.000 0.605 808 L N 1.872 123.110 121.223 0.025 0.000 2.506 808 L HA 0.453 4.796 4.340 0.005 0.000 0.281 808 L C 1.936 178.838 176.870 0.053 0.000 1.228 808 L CA 0.916 55.788 54.840 0.053 0.000 0.850 808 L CB 0.267 42.405 42.059 0.132 0.000 1.110 808 L HN 0.960 nan 8.230 nan 0.000 0.496 809 T N -0.174 114.431 114.554 0.085 0.000 2.810 809 T HA 0.365 4.718 4.350 0.005 0.000 0.277 809 T C -1.858 172.908 174.700 0.110 0.000 0.973 809 T CA -1.485 60.658 62.100 0.072 0.000 0.949 809 T CB 0.540 69.448 68.868 0.068 0.000 1.075 809 T HN 0.394 nan 8.240 nan 0.000 0.537 810 P HA -0.096 nan 4.420 nan 0.000 0.213 810 P C 1.734 179.053 177.300 0.031 0.000 1.170 810 P CA 1.158 64.294 63.100 0.060 0.000 0.898 810 P CB -0.058 31.602 31.700 -0.067 0.000 0.787 811 Q N 0.004 119.763 119.800 -0.069 0.000 2.029 811 Q HA -0.231 4.112 4.340 0.005 0.000 0.209 811 Q C 2.220 178.188 176.000 -0.053 0.000 0.999 811 Q CA 1.962 57.681 55.803 -0.141 0.000 0.857 811 Q CB -0.928 27.855 28.738 0.075 0.000 0.926 811 Q HN 0.375 nan 8.270 nan 0.000 0.415 812 E N -0.620 119.701 120.200 0.202 0.000 2.085 812 E HA -0.208 4.145 4.350 0.005 0.000 0.194 812 E C 1.656 178.471 176.600 0.359 0.000 0.994 812 E CA 0.945 57.540 56.400 0.325 0.000 0.801 812 E CB -0.219 29.618 29.700 0.229 0.000 0.743 812 E HN 0.229 nan 8.360 nan 0.000 0.453 813 F N 0.996 121.021 119.950 0.125 0.000 2.026 813 F HA -0.253 4.277 4.527 0.005 0.000 0.296 813 F C 2.009 177.889 175.800 0.133 0.000 1.133 813 F CA 1.325 59.409 58.000 0.140 0.000 1.188 813 F CB -1.032 38.028 39.000 0.099 0.000 0.968 813 F HN -0.011 nan 8.300 nan 0.000 0.476 814 F N 0.366 120.173 119.950 -0.237 0.000 2.063 814 F HA -0.312 4.218 4.527 0.005 0.000 0.298 814 F C 2.378 178.088 175.800 -0.151 0.000 1.109 814 F CA 2.073 59.847 58.000 -0.378 0.000 1.212 814 F CB -1.160 37.611 39.000 -0.383 0.000 0.973 814 F HN 0.053 nan 8.300 nan 0.000 0.480 815 F N -1.191 118.851 119.950 0.154 0.000 2.065 815 F HA -0.338 4.191 4.527 0.005 0.000 0.298 815 F C 2.698 178.527 175.800 0.048 0.000 1.112 815 F CA 1.476 59.533 58.000 0.096 0.000 1.212 815 F CB -0.930 38.181 39.000 0.186 0.000 0.975 815 F HN 0.096 nan 8.300 nan 0.000 0.476 816 H N 0.510 119.708 119.070 0.213 0.000 2.421 816 H HA -0.076 4.483 4.556 0.005 0.000 0.298 816 H C 1.960 177.313 175.328 0.041 0.000 1.087 816 H CA 1.129 57.262 56.048 0.141 0.000 1.330 816 H CB -0.415 29.477 29.762 0.216 0.000 1.388 816 H HN 0.169 nan 8.280 nan 0.000 0.526 817 A N 0.338 123.032 122.820 -0.211 0.000 1.933 817 A HA -0.158 4.164 4.320 0.005 0.000 0.218 817 A C 2.570 179.947 177.584 -0.345 0.000 1.175 817 A CA 1.668 53.458 52.037 -0.412 0.000 0.628 817 A CB -0.659 17.938 19.000 -0.671 0.000 0.814 817 A HN 0.508 nan 8.150 nan 0.000 0.444 818 M N -0.822 118.591 119.600 -0.311 0.000 2.099 818 M HA -0.084 4.399 4.480 0.005 0.000 0.262 818 M C 2.313 178.561 176.300 -0.087 0.000 1.067 818 M CA 1.493 56.666 55.300 -0.212 0.000 1.124 818 M CB -0.504 32.031 32.600 -0.109 0.000 1.353 818 M HN 0.504 nan 8.290 nan 0.000 0.410 819 G N -0.638 108.154 108.800 -0.013 0.000 2.432 819 G HA2 -0.128 3.835 3.960 0.005 0.000 0.219 819 G HA3 -0.128 3.835 3.960 0.005 0.000 0.219 819 G C 1.458 176.362 174.900 0.006 0.000 1.135 819 G CA 0.936 46.056 45.100 0.033 0.000 0.767 819 G HN 0.582 nan 8.290 nan 0.000 0.550 820 G N 0.325 109.091 108.800 -0.056 0.000 2.430 820 G HA2 -0.086 3.877 3.960 0.005 0.000 0.216 820 G HA3 -0.086 3.877 3.960 0.005 0.000 0.216 820 G C 1.780 176.639 174.900 -0.069 0.000 1.146 820 G CA 0.834 45.889 45.100 -0.074 0.000 0.793 820 G HN 0.474 nan 8.290 nan 0.000 0.537 821 R N 0.691 121.136 120.500 -0.091 0.000 2.115 821 R HA 0.061 4.404 4.340 0.005 0.000 0.226 821 R C 2.187 178.459 176.300 -0.046 0.000 1.100 821 R CA 1.482 57.536 56.100 -0.076 0.000 0.980 821 R CB -0.375 29.865 30.300 -0.099 0.000 0.875 821 R HN 0.417 nan 8.270 nan 0.000 0.445 822 E N -0.866 119.313 120.200 -0.035 0.000 2.106 822 E HA -0.120 4.233 4.350 0.005 0.000 0.192 822 E C 1.610 178.204 176.600 -0.010 0.000 0.984 822 E CA 1.269 57.659 56.400 -0.018 0.000 0.806 822 E CB -0.193 29.502 29.700 -0.008 0.000 0.750 822 E HN 0.577 nan 8.360 nan 0.000 0.458 823 G N 0.929 109.725 108.800 -0.007 0.000 2.421 823 G HA2 -0.172 3.791 3.960 0.005 0.000 0.217 823 G HA3 -0.172 3.791 3.960 0.005 0.000 0.217 823 G C 1.584 176.481 174.900 -0.006 0.000 1.143 823 G CA 0.112 45.212 45.100 0.000 0.000 0.784 823 G HN 0.149 nan 8.290 nan 0.000 0.541 824 L N 0.595 121.808 121.223 -0.016 0.000 2.056 824 L HA -0.049 4.293 4.340 0.005 0.000 0.207 824 L C 2.840 179.701 176.870 -0.016 0.000 1.078 824 L CA 0.516 55.345 54.840 -0.019 0.000 0.749 824 L CB -0.397 41.645 42.059 -0.029 0.000 0.901 824 L HN 0.143 nan 8.230 nan 0.000 0.433 825 I N 0.703 121.263 120.570 -0.017 0.000 2.058 825 I HA -0.308 3.864 4.170 0.005 0.000 0.235 825 I C 1.824 177.936 176.117 -0.008 0.000 1.053 825 I CA 1.831 63.123 61.300 -0.014 0.000 1.313 825 I CB -1.479 36.513 38.000 -0.014 0.000 1.039 825 I HN 0.493 nan 8.210 nan 0.000 0.396 826 D N 0.047 120.444 120.400 -0.005 0.000 2.400 826 D HA -0.043 4.600 4.640 0.005 0.000 0.243 826 D C 1.150 177.450 176.300 0.001 0.000 1.184 826 D CA 0.364 54.364 54.000 -0.000 0.000 0.853 826 D CB 0.091 40.893 40.800 0.004 0.000 0.944 826 D HN 0.276 nan 8.370 nan 0.000 0.501 827 T N -0.281 114.271 114.554 -0.003 0.000 3.042 827 T HA 0.182 4.534 4.350 0.005 0.000 0.245 827 T C 2.023 176.720 174.700 -0.005 0.000 1.029 827 T CA 0.674 62.773 62.100 -0.003 0.000 1.120 827 T CB 0.318 69.184 68.868 -0.004 0.000 0.917 827 T HN 0.333 nan 8.240 nan 0.000 0.467 828 A N 0.664 123.480 122.820 -0.008 0.000 1.969 828 A HA 0.061 4.384 4.320 0.005 0.000 0.218 828 A C 2.350 179.930 177.584 -0.007 0.000 1.169 828 A CA 0.995 53.026 52.037 -0.009 0.000 0.635 828 A CB -0.728 18.265 19.000 -0.012 0.000 0.810 828 A HN 0.331 nan 8.150 nan 0.000 0.445 829 V N -0.873 119.038 119.914 -0.004 0.000 2.725 829 V HA -0.084 4.039 4.120 0.005 0.000 0.247 829 V C 2.391 178.489 176.094 0.006 0.000 1.058 829 V CA 2.015 64.315 62.300 -0.000 0.000 1.080 829 V CB -0.156 31.667 31.823 0.001 0.000 0.713 829 V HN 0.520 nan 8.190 nan 0.000 0.465 830 K N 0.733 121.137 120.400 0.006 0.000 1.991 830 K HA -0.180 4.143 4.320 0.005 0.000 0.212 830 K C 2.215 178.821 176.600 0.011 0.000 1.049 830 K CA 2.261 58.554 56.287 0.010 0.000 0.932 830 K CB -0.792 31.711 32.500 0.005 0.000 0.717 830 K HN 0.652 nan 8.250 nan 0.000 0.441 831 T N -1.621 112.936 114.554 0.004 0.000 2.822 831 T HA -0.149 4.204 4.350 0.005 0.000 0.270 831 T C 1.878 176.584 174.700 0.011 0.000 1.064 831 T CA 1.250 63.352 62.100 0.003 0.000 1.131 831 T CB -0.426 68.439 68.868 -0.005 0.000 0.858 831 T HN 0.194 nan 8.240 nan 0.000 0.483 832 A N 1.926 124.753 122.820 0.011 0.000 1.874 832 A HA 0.010 4.333 4.320 0.005 0.000 0.214 832 A C 2.411 180.021 177.584 0.044 0.000 1.189 832 A CA 1.128 53.172 52.037 0.011 0.000 0.615 832 A CB -0.370 18.626 19.000 -0.007 0.000 0.830 832 A HN 0.627 nan 8.150 nan 0.000 0.443 833 E N -0.228 120.005 120.200 0.055 0.000 2.028 833 E HA -0.123 4.230 4.350 0.005 0.000 0.191 833 E C 2.051 178.722 176.600 0.119 0.000 0.988 833 E CA 1.659 58.121 56.400 0.102 0.000 0.799 833 E CB -0.656 29.089 29.700 0.075 0.000 0.755 833 E HN 0.590 nan 8.360 nan 0.000 0.447 834 T N 0.841 115.434 114.554 0.065 0.000 2.803 834 T HA -0.139 4.214 4.350 0.005 0.000 0.269 834 T C 1.981 176.716 174.700 0.057 0.000 1.052 834 T CA 1.248 63.374 62.100 0.043 0.000 1.136 834 T CB -0.565 68.312 68.868 0.015 0.000 0.864 834 T HN 0.371 nan 8.240 nan 0.000 0.467 835 G N -0.602 108.242 108.800 0.074 0.000 2.509 835 G HA2 -0.153 3.810 3.960 0.005 0.000 0.218 835 G HA3 -0.153 3.810 3.960 0.005 0.000 0.218 835 G C 1.251 176.246 174.900 0.157 0.000 1.124 835 G CA 0.300 45.446 45.100 0.077 0.000 0.776 835 G HN 0.483 nan 8.290 nan 0.000 0.547 836 Y N 0.817 121.124 120.300 0.011 0.000 2.239 836 Y HA 0.172 4.725 4.550 0.005 0.000 0.293 836 Y C 2.530 178.459 175.900 0.048 0.000 1.126 836 Y CA -0.584 57.536 58.100 0.034 0.000 1.128 836 Y CB -0.355 38.123 38.460 0.030 0.000 1.066 836 Y HN -0.003 nan 8.280 nan 0.000 0.516 837 I N 0.981 121.539 120.570 -0.021 0.000 2.253 837 I HA -0.494 3.679 4.170 0.005 0.000 0.234 837 I C 2.448 178.503 176.117 -0.103 0.000 0.978 837 I CA 2.085 63.323 61.300 -0.104 0.000 1.271 837 I CB -1.564 36.416 38.000 -0.033 0.000 0.978 837 I HN 0.382 nan 8.210 nan 0.000 0.394 838 Q N -0.072 119.700 119.800 -0.047 0.000 2.065 838 Q HA -0.298 4.045 4.340 0.005 0.000 0.213 838 Q C 2.435 178.409 176.000 -0.043 0.000 1.012 838 Q CA 2.519 58.294 55.803 -0.047 0.000 0.876 838 Q CB -0.425 28.300 28.738 -0.022 0.000 0.954 838 Q HN 0.460 nan 8.270 nan 0.000 0.413 839 R N 0.008 120.519 120.500 0.020 0.000 2.105 839 R HA -0.153 4.190 4.340 0.005 0.000 0.239 839 R C 2.359 178.684 176.300 0.042 0.000 1.135 839 R CA 1.561 57.708 56.100 0.078 0.000 0.967 839 R CB 0.059 30.489 30.300 0.216 0.000 0.861 839 R HN 0.194 nan 8.270 nan 0.000 0.442 840 R N 0.063 120.534 120.500 -0.048 0.000 2.055 840 R HA -0.055 4.288 4.340 0.005 0.000 0.228 840 R C 2.438 178.520 176.300 -0.364 0.000 1.143 840 R CA 1.380 57.379 56.100 -0.169 0.000 0.945 840 R CB -0.612 29.579 30.300 -0.182 0.000 0.841 840 R HN 0.144 nan 8.270 nan 0.000 0.429 841 L N 0.518 121.580 121.223 -0.269 0.000 2.030 841 L HA -0.322 4.020 4.340 0.005 0.000 0.222 841 L C 2.422 179.126 176.870 -0.278 0.000 1.082 841 L CA 1.574 56.255 54.840 -0.264 0.000 0.785 841 L CB -0.762 41.195 42.059 -0.170 0.000 0.895 841 L HN 0.098 nan 8.230 nan 0.000 0.439 842 V N -0.803 118.991 119.914 -0.201 0.000 2.261 842 V HA -0.266 3.857 4.120 0.005 0.000 0.246 842 V C 2.516 178.482 176.094 -0.214 0.000 1.047 842 V CA 1.658 63.859 62.300 -0.166 0.000 1.015 842 V CB -0.582 31.185 31.823 -0.093 0.000 0.642 842 V HN 0.372 nan 8.190 nan 0.000 0.446 843 K N 0.192 120.448 120.400 -0.240 0.000 2.209 843 K HA -0.044 4.279 4.320 0.005 0.000 0.204 843 K C 2.075 178.360 176.600 -0.526 0.000 1.048 843 K CA 1.441 57.571 56.287 -0.261 0.000 0.940 843 K CB -0.485 31.914 32.500 -0.168 0.000 0.729 843 K HN 0.519 nan 8.250 nan 0.000 0.451 844 A N -0.078 122.185 122.820 -0.929 0.000 2.081 844 A HA 0.072 4.395 4.320 0.005 0.000 0.214 844 A C 1.919 179.175 177.584 -0.546 0.000 1.158 844 A CA 0.576 51.840 52.037 -1.289 0.000 0.724 844 A CB 0.040 18.064 19.000 -1.626 0.000 0.826 844 A HN 0.175 nan 8.150 nan 0.000 0.463 845 L N -1.788 119.219 121.223 -0.359 0.000 2.672 845 L HA 0.128 4.471 4.340 0.005 0.000 0.236 845 L C 1.838 178.624 176.870 -0.140 0.000 1.092 845 L CA 0.595 55.312 54.840 -0.205 0.000 0.887 845 L CB -0.036 41.922 42.059 -0.169 0.000 1.168 845 L HN 0.528 nan 8.230 nan 0.000 0.502 846 E N 1.659 121.771 120.200 -0.147 0.000 2.446 846 E HA -0.373 3.979 4.350 0.005 0.000 0.248 846 E C 0.798 177.357 176.600 -0.068 0.000 1.081 846 E CA 2.554 58.897 56.400 -0.094 0.000 1.143 846 E CB -0.151 29.502 29.700 -0.078 0.000 1.012 846 E HN 0.645 nan 8.360 nan 0.000 0.487 847 D N -0.338 120.030 120.400 -0.054 0.000 2.358 847 D HA 0.038 4.681 4.640 0.005 0.000 0.224 847 D C 0.386 176.672 176.300 -0.024 0.000 1.123 847 D CA -0.049 53.931 54.000 -0.033 0.000 0.833 847 D CB -0.306 40.489 40.800 -0.009 0.000 0.946 847 D HN 0.249 nan 8.370 nan 0.000 0.505 848 I N 1.913 122.461 120.570 -0.037 0.000 2.322 848 I HA 0.177 4.349 4.170 0.005 0.000 0.292 848 I C 0.604 176.694 176.117 -0.044 0.000 1.060 848 I CA -0.294 60.993 61.300 -0.022 0.000 1.309 848 I CB 0.555 38.540 38.000 -0.026 0.000 1.415 848 I HN 0.023 nan 8.210 nan 0.000 0.492 849 M N 5.724 125.304 119.600 -0.034 0.000 2.755 849 M HA 0.652 5.135 4.480 0.005 0.000 0.298 849 M C -1.474 174.778 176.300 -0.079 0.000 1.251 849 M CA -0.855 54.378 55.300 -0.112 0.000 0.817 849 M CB 2.211 34.698 32.600 -0.187 0.000 1.760 849 M HN 0.041 nan 8.290 nan 0.000 0.473 850 V N 2.366 122.178 119.914 -0.170 0.000 2.318 850 V HA 0.342 4.465 4.120 0.005 0.000 0.271 850 V C -0.020 175.996 176.094 -0.130 0.000 1.030 850 V CA -0.411 61.819 62.300 -0.116 0.000 0.844 850 V CB 0.159 31.856 31.823 -0.209 0.000 1.015 850 V HN 0.732 nan 8.190 nan 0.000 0.460 851 H N 3.403 122.398 119.070 -0.126 0.000 2.597 851 H HA 0.124 4.683 4.556 0.005 0.000 0.370 851 H C 0.109 175.378 175.328 -0.100 0.000 1.281 851 H CA -0.060 55.916 56.048 -0.120 0.000 1.422 851 H CB 1.155 30.902 29.762 -0.026 0.000 1.524 851 H HN 0.586 nan 8.280 nan 0.000 0.607 852 Y N 0.738 121.126 120.300 0.147 0.000 2.621 852 Y HA -0.117 4.435 4.550 0.005 0.000 0.330 852 Y C 0.740 176.683 175.900 0.072 0.000 1.219 852 Y CA 0.259 58.407 58.100 0.081 0.000 1.286 852 Y CB -0.144 38.353 38.460 0.063 0.000 1.053 852 Y HN 0.557 nan 8.280 nan 0.000 0.498 853 D N -3.406 117.108 120.400 0.190 0.000 2.535 853 D HA 0.036 4.679 4.640 0.005 0.000 0.229 853 D C 0.370 176.736 176.300 0.110 0.000 1.238 853 D CA -0.209 53.873 54.000 0.137 0.000 0.824 853 D CB -0.508 40.362 40.800 0.116 0.000 1.045 853 D HN 0.026 nan 8.370 nan 0.000 0.500 854 N N -0.684 118.075 118.700 0.098 0.000 2.857 854 N HA -0.162 4.580 4.740 0.005 0.000 0.242 854 N C -0.588 174.982 175.510 0.100 0.000 0.983 854 N CA 1.248 54.351 53.050 0.088 0.000 0.934 854 N CB -1.284 37.257 38.487 0.090 0.000 1.115 854 N HN 0.307 nan 8.380 nan 0.000 0.593 855 T N 0.911 115.516 114.554 0.086 0.000 2.884 855 T HA 0.151 4.504 4.350 0.005 0.000 0.298 855 T C 0.348 175.067 174.700 0.032 0.000 0.998 855 T CA 0.496 62.620 62.100 0.040 0.000 1.124 855 T CB 1.129 69.993 68.868 -0.006 0.000 0.931 855 T HN -0.035 nan 8.240 nan 0.000 0.531 856 T N 5.975 120.529 114.554 -0.000 0.000 2.733 856 T HA 0.411 4.764 4.350 0.005 0.000 0.294 856 T C 0.466 175.139 174.700 -0.045 0.000 0.956 856 T CA -0.483 61.631 62.100 0.023 0.000 0.987 856 T CB 0.349 69.259 68.868 0.070 0.000 0.920 856 T HN 0.432 nan 8.240 nan 0.000 0.470 857 R N 2.804 123.310 120.500 0.011 0.000 3.412 857 R HA 0.637 4.980 4.340 0.005 0.000 0.216 857 R C -0.099 176.209 176.300 0.014 0.000 1.677 857 R CA -0.906 55.154 56.100 -0.067 0.000 0.931 857 R CB 0.865 30.976 30.300 -0.315 0.000 2.019 857 R HN 0.836 nan 8.270 nan 0.000 0.537 858 N N -2.207 116.509 118.700 0.026 0.000 3.356 858 N HA -0.062 4.680 4.740 0.005 0.000 0.246 858 N C 0.121 175.663 175.510 0.053 0.000 1.480 858 N CA -0.151 52.928 53.050 0.048 0.000 0.877 858 N CB 0.796 39.289 38.487 0.009 0.000 1.431 858 N HN 0.367 nan 8.380 nan 0.000 0.500 859 S N -0.189 115.537 115.700 0.044 0.000 2.441 859 S HA -0.159 4.314 4.470 0.005 0.000 0.242 859 S C 1.410 176.030 174.600 0.033 0.000 1.018 859 S CA 1.026 59.252 58.200 0.044 0.000 0.988 859 S CB -0.642 62.578 63.200 0.034 0.000 0.778 859 S HN 0.503 nan 8.310 nan 0.000 0.498 860 L N 0.750 121.984 121.223 0.018 0.000 2.607 860 L HA 0.331 4.674 4.340 0.005 0.000 0.228 860 L C 1.766 178.626 176.870 -0.016 0.000 1.123 860 L CA 0.189 55.034 54.840 0.008 0.000 0.890 860 L CB -0.744 41.321 42.059 0.009 0.000 1.103 860 L HN 0.529 nan 8.230 nan 0.000 0.468 861 G N 0.745 109.522 108.800 -0.039 0.000 2.233 861 G HA2 -0.310 3.653 3.960 0.005 0.000 0.270 861 G HA3 -0.310 3.653 3.960 0.005 0.000 0.270 861 G C 0.154 174.988 174.900 -0.109 0.000 1.011 861 G CA 0.165 45.197 45.100 -0.113 0.000 0.762 861 G HN 0.407 nan 8.290 nan 0.000 0.511 862 N N -0.451 118.204 118.700 -0.075 0.000 2.492 862 N HA 0.346 5.089 4.740 0.005 0.000 0.262 862 N C 0.518 175.950 175.510 -0.130 0.000 1.202 862 N CA -0.113 52.892 53.050 -0.075 0.000 0.926 862 N CB 1.302 39.765 38.487 -0.040 0.000 1.078 862 N HN 0.096 nan 8.380 nan 0.000 0.454 863 V N 4.601 124.407 119.914 -0.180 0.000 2.488 863 V HA 0.105 4.228 4.120 0.005 0.000 0.277 863 V C 1.355 177.282 176.094 -0.277 0.000 1.046 863 V CA -0.190 61.913 62.300 -0.329 0.000 0.986 863 V CB 0.693 32.142 31.823 -0.623 0.000 0.989 863 V HN 0.530 nan 8.190 nan 0.000 0.475 864 I N 2.875 123.308 120.570 -0.229 0.000 2.899 864 I HA 0.210 4.383 4.170 0.005 0.000 0.257 864 I C 0.741 176.776 176.117 -0.137 0.000 1.115 864 I CA 0.786 62.007 61.300 -0.132 0.000 1.451 864 I CB -0.313 37.651 38.000 -0.059 0.000 1.251 864 I HN 0.570 nan 8.210 nan 0.000 0.456 865 Q N -0.290 119.421 119.800 -0.147 0.000 2.356 865 Q HA 0.379 4.722 4.340 0.005 0.000 0.270 865 Q C -0.111 175.815 176.000 -0.123 0.000 1.058 865 Q CA -0.518 55.246 55.803 -0.065 0.000 0.802 865 Q CB 2.765 31.530 28.738 0.045 0.000 1.303 865 Q HN 0.006 nan 8.270 nan 0.000 0.444 866 F N 0.865 120.838 119.950 0.039 0.000 2.259 866 F HA 0.076 4.606 4.527 0.005 0.000 0.298 866 F C 0.715 176.546 175.800 0.051 0.000 1.088 866 F CA 0.796 58.818 58.000 0.036 0.000 1.358 866 F CB 0.495 39.510 39.000 0.024 0.000 1.040 866 F HN 0.362 nan 8.300 nan 0.000 0.505 867 I N -1.460 119.231 120.570 0.202 0.000 2.499 867 I HA 0.143 4.316 4.170 0.005 0.000 0.288 867 I C -0.836 175.368 176.117 0.146 0.000 1.048 867 I CA -1.343 60.049 61.300 0.154 0.000 1.062 867 I CB 1.221 39.297 38.000 0.127 0.000 1.238 867 I HN -0.203 nan 8.210 nan 0.000 0.426 868 Y N 5.796 126.120 120.300 0.040 0.000 2.810 868 Y HA 0.270 4.823 4.550 0.005 0.000 0.332 868 Y C 1.380 177.304 175.900 0.040 0.000 1.243 868 Y CA 1.014 59.131 58.100 0.028 0.000 1.537 868 Y CB 0.458 38.927 38.460 0.015 0.000 1.265 868 Y HN 0.883 nan 8.280 nan 0.000 0.572 869 G N 4.040 112.525 108.800 -0.526 0.000 2.187 869 G HA2 -0.383 3.580 3.960 0.005 0.000 0.261 869 G HA3 -0.383 3.580 3.960 0.005 0.000 0.261 869 G C 0.577 175.401 174.900 -0.126 0.000 1.000 869 G CA 0.825 45.629 45.100 -0.493 0.000 0.718 869 G HN 0.975 nan 8.290 nan 0.000 0.519 870 E N -2.393 117.781 120.200 -0.043 0.000 4.278 870 E HA -0.312 4.041 4.350 0.005 0.000 0.339 870 E C 1.115 177.718 176.600 0.004 0.000 0.624 870 E CA 1.977 58.382 56.400 0.009 0.000 1.405 870 E CB -1.140 28.567 29.700 0.012 0.000 1.797 870 E HN 0.790 nan 8.360 nan 0.000 0.400 871 D N -1.004 119.384 120.400 -0.021 0.000 2.500 871 D HA 0.210 4.852 4.640 0.005 0.000 0.217 871 D C 1.320 177.630 176.300 0.016 0.000 1.159 871 D CA 0.964 54.968 54.000 0.007 0.000 0.828 871 D CB 0.394 41.194 40.800 0.000 0.000 1.039 871 D HN 0.378 nan 8.370 nan 0.000 0.512 872 G N 0.432 109.249 108.800 0.029 0.000 2.234 872 G HA2 -0.289 3.674 3.960 0.005 0.000 0.260 872 G HA3 -0.289 3.674 3.960 0.005 0.000 0.260 872 G C 0.354 175.296 174.900 0.071 0.000 0.987 872 G CA 0.627 45.775 45.100 0.079 0.000 0.625 872 G HN 0.256 nan 8.290 nan 0.000 0.532 873 M N 0.734 120.340 119.600 0.009 0.000 2.202 873 M HA 0.467 4.950 4.480 0.005 0.000 0.316 873 M C 0.129 176.520 176.300 0.152 0.000 1.138 873 M CA -0.542 54.755 55.300 -0.006 0.000 1.151 873 M CB 0.546 33.097 32.600 -0.081 0.000 1.422 873 M HN 0.245 nan 8.290 nan 0.000 0.471 874 D N 0.230 120.729 120.400 0.165 0.000 2.233 874 D HA 0.506 5.149 4.640 0.005 0.000 0.240 874 D C 0.668 177.051 176.300 0.137 0.000 1.074 874 D CA -0.247 53.887 54.000 0.224 0.000 0.838 874 D CB 1.318 42.259 40.800 0.234 0.000 1.124 874 D HN 0.623 nan 8.370 nan 0.000 0.475 875 A N 3.664 126.564 122.820 0.132 0.000 2.076 875 A HA -0.022 4.301 4.320 0.005 0.000 0.220 875 A C 2.054 179.659 177.584 0.035 0.000 1.160 875 A CA 1.702 53.785 52.037 0.078 0.000 0.653 875 A CB -0.707 18.343 19.000 0.084 0.000 0.801 875 A HN 0.672 nan 8.150 nan 0.000 0.455 876 A N -1.097 121.681 122.820 -0.070 0.000 1.969 876 A HA -0.114 4.208 4.320 0.005 0.000 0.218 876 A C 1.377 178.847 177.584 -0.189 0.000 1.169 876 A CA 1.040 52.957 52.037 -0.201 0.000 0.635 876 A CB -0.579 18.194 19.000 -0.378 0.000 0.810 876 A HN 0.617 nan 8.150 nan 0.000 0.445 877 H N -0.907 118.196 119.070 0.055 0.000 2.638 877 H HA 0.529 5.088 4.556 0.005 0.000 0.293 877 H C -0.971 174.370 175.328 0.021 0.000 1.316 877 H CA -0.081 55.988 56.048 0.035 0.000 1.099 877 H CB -0.467 29.283 29.762 -0.020 0.000 1.515 877 H HN 0.318 nan 8.280 nan 0.000 0.505 878 I N 1.390 122.051 120.570 0.151 0.000 2.607 878 I HA 0.179 4.352 4.170 0.005 0.000 0.290 878 I C -0.691 175.504 176.117 0.130 0.000 1.129 878 I CA -0.496 60.874 61.300 0.115 0.000 1.042 878 I CB 2.627 40.691 38.000 0.107 0.000 1.242 878 I HN 0.122 nan 8.210 nan 0.000 0.421 879 E N 4.941 125.192 120.200 0.084 0.000 2.340 879 E HA 0.336 4.689 4.350 0.005 0.000 0.273 879 E C -1.282 175.341 176.600 0.039 0.000 0.891 879 E CA -1.225 55.189 56.400 0.025 0.000 0.757 879 E CB 2.740 32.385 29.700 -0.092 0.000 1.231 879 E HN 0.328 nan 8.360 nan 0.000 0.439 880 K N 2.203 122.607 120.400 0.007 0.000 2.447 880 K HA -0.014 4.309 4.320 0.005 0.000 0.281 880 K C -0.693 175.901 176.600 -0.010 0.000 1.031 880 K CA 0.780 57.057 56.287 -0.017 0.000 1.019 880 K CB 0.389 32.840 32.500 -0.083 0.000 0.918 880 K HN 0.409 nan 8.250 nan 0.000 0.476 881 Q N 2.127 121.941 119.800 0.022 0.000 2.379 881 Q HA 0.214 4.557 4.340 0.005 0.000 0.278 881 Q C -1.236 174.784 176.000 0.032 0.000 1.068 881 Q CA -1.034 54.792 55.803 0.038 0.000 0.816 881 Q CB 2.130 30.922 28.738 0.091 0.000 1.387 881 Q HN 0.735 nan 8.270 nan 0.000 0.413 882 S N 1.336 117.049 115.700 0.021 0.000 2.480 882 S HA 0.538 5.011 4.470 0.005 0.000 0.286 882 S C -0.167 174.469 174.600 0.060 0.000 1.180 882 S CA -0.774 57.433 58.200 0.012 0.000 1.075 882 S CB 0.270 63.461 63.200 -0.014 0.000 0.996 882 S HN 0.508 nan 8.310 nan 0.000 0.487 883 L N 3.181 124.447 121.223 0.072 0.000 2.302 883 L HA 0.318 4.661 4.340 0.005 0.000 0.285 883 L C -0.143 176.783 176.870 0.093 0.000 1.090 883 L CA -0.617 54.277 54.840 0.090 0.000 0.866 883 L CB -0.246 41.871 42.059 0.096 0.000 1.244 883 L HN 0.720 nan 8.230 nan 0.000 0.435 884 D N -1.054 119.420 120.400 0.124 0.000 2.434 884 D HA -0.025 4.618 4.640 0.005 0.000 0.232 884 D C 1.242 177.677 176.300 0.225 0.000 1.166 884 D CA -0.205 53.889 54.000 0.155 0.000 0.830 884 D CB -0.018 40.877 40.800 0.159 0.000 0.960 884 D HN 0.378 nan 8.370 nan 0.000 0.497 885 T N -0.670 113.983 114.554 0.164 0.000 3.023 885 T HA 0.044 4.397 4.350 0.005 0.000 0.266 885 T C 1.757 176.519 174.700 0.103 0.000 1.093 885 T CA 0.150 62.342 62.100 0.152 0.000 1.129 885 T CB 0.186 69.088 68.868 0.057 0.000 0.899 885 T HN 0.241 nan 8.240 nan 0.000 0.491 886 I N 0.873 121.499 120.570 0.093 0.000 2.716 886 I HA 0.162 4.335 4.170 0.005 0.000 0.259 886 I C 1.549 177.723 176.117 0.095 0.000 1.172 886 I CA 0.394 61.736 61.300 0.070 0.000 1.478 886 I CB -0.263 37.767 38.000 0.051 0.000 1.104 886 I HN 0.278 nan 8.210 nan 0.000 0.439 887 G N -0.602 108.259 108.800 0.102 0.000 2.887 887 G HA2 0.552 4.515 3.960 0.005 0.000 0.277 887 G HA3 0.552 4.515 3.960 0.005 0.000 0.277 887 G C -0.213 174.786 174.900 0.165 0.000 1.346 887 G CA 0.083 45.266 45.100 0.138 0.000 1.058 887 G HN 0.395 nan 8.290 nan 0.000 0.535 888 G N -1.169 107.728 108.800 0.161 0.000 2.787 888 G HA2 0.266 4.228 3.960 0.005 0.000 0.685 888 G HA3 0.266 4.228 3.960 0.005 0.000 0.685 888 G C 0.348 175.323 174.900 0.125 0.000 1.437 888 G CA 0.359 45.543 45.100 0.139 0.000 0.872 888 G HN 2.094 nan 8.290 nan 0.000 0.566 889 S N 0.105 115.870 115.700 0.109 0.000 2.566 889 S HA 0.234 4.707 4.470 0.005 0.000 0.280 889 S C 1.115 175.788 174.600 0.121 0.000 1.343 889 S CA 0.840 59.093 58.200 0.089 0.000 1.036 889 S CB 1.133 64.381 63.200 0.080 0.000 0.866 889 S HN 0.615 nan 8.310 nan 0.000 0.526 890 D N 2.052 122.499 120.400 0.077 0.000 2.221 890 D HA -0.067 4.575 4.640 0.005 0.000 0.204 890 D C 2.111 178.537 176.300 0.211 0.000 0.982 890 D CA 1.670 55.733 54.000 0.104 0.000 0.857 890 D CB -0.775 40.052 40.800 0.045 0.000 0.934 890 D HN 0.704 nan 8.370 nan 0.000 0.475 891 A N 1.261 124.174 122.820 0.156 0.000 1.841 891 A HA 0.008 4.331 4.320 0.005 0.000 0.214 891 A C 2.331 180.023 177.584 0.180 0.000 1.195 891 A CA 2.064 54.193 52.037 0.152 0.000 0.611 891 A CB -0.892 18.167 19.000 0.098 0.000 0.835 891 A HN 0.220 nan 8.150 nan 0.000 0.443 892 A N -1.611 121.307 122.820 0.164 0.000 2.125 892 A HA -0.012 4.311 4.320 0.005 0.000 0.219 892 A C 1.933 179.647 177.584 0.218 0.000 1.156 892 A CA 1.532 53.660 52.037 0.151 0.000 0.671 892 A CB -0.701 18.370 19.000 0.118 0.000 0.794 892 A HN 0.748 nan 8.150 nan 0.000 0.459 893 F N 0.721 120.763 119.950 0.154 0.000 2.149 893 F HA -0.046 4.484 4.527 0.005 0.000 0.294 893 F C 2.139 178.136 175.800 0.328 0.000 1.095 893 F CA 1.811 59.958 58.000 0.246 0.000 1.276 893 F CB -0.228 38.876 39.000 0.173 0.000 1.023 893 F HN 0.397 nan 8.300 nan 0.000 0.480 894 E N 0.547 120.940 120.200 0.321 0.000 2.072 894 E HA -0.268 4.084 4.350 0.005 0.000 0.191 894 E C 2.077 178.735 176.600 0.098 0.000 0.985 894 E CA 1.154 57.693 56.400 0.230 0.000 0.801 894 E CB -0.263 29.619 29.700 0.305 0.000 0.750 894 E HN 0.165 nan 8.360 nan 0.000 0.452 895 K N 0.918 121.378 120.400 0.100 0.000 2.442 895 K HA -0.109 4.213 4.320 0.005 0.000 0.199 895 K C 1.894 178.472 176.600 -0.037 0.000 1.044 895 K CA 1.069 57.383 56.287 0.046 0.000 0.941 895 K CB -0.032 32.497 32.500 0.048 0.000 0.759 895 K HN 0.056 nan 8.250 nan 0.000 0.472 896 R N -1.609 118.841 120.500 -0.082 0.000 2.221 896 R HA 0.100 4.443 4.340 0.005 0.000 0.195 896 R C 0.797 176.815 176.300 -0.469 0.000 0.956 896 R CA 0.696 56.621 56.100 -0.292 0.000 1.064 896 R CB 0.334 30.430 30.300 -0.340 0.000 1.049 896 R HN 0.266 nan 8.270 nan 0.000 0.534 897 Y N -0.963 119.220 120.300 -0.194 0.000 2.432 897 Y HA 0.277 4.830 4.550 0.005 0.000 0.252 897 Y C 0.291 176.167 175.900 -0.040 0.000 1.097 897 Y CA -0.491 57.513 58.100 -0.160 0.000 1.250 897 Y CB 0.678 38.938 38.460 -0.334 0.000 1.245 897 Y HN -0.225 nan 8.280 nan 0.000 0.522 898 R N 1.592 122.125 120.500 0.054 0.000 2.234 898 R HA 0.472 4.815 4.340 0.005 0.000 0.324 898 R C -1.527 174.706 176.300 -0.112 0.000 1.054 898 R CA -0.191 55.806 56.100 -0.172 0.000 0.912 898 R CB 0.370 30.442 30.300 -0.380 0.000 1.030 898 R HN -0.094 nan 8.270 nan 0.000 0.455 899 V N 5.223 125.070 119.914 -0.111 0.000 2.376 899 V HA 0.260 4.383 4.120 0.005 0.000 0.287 899 V C -0.744 175.298 176.094 -0.086 0.000 1.015 899 V CA -0.812 61.447 62.300 -0.069 0.000 0.834 899 V CB 1.528 33.324 31.823 -0.045 0.000 1.001 899 V HN 0.706 nan 8.190 nan 0.000 0.428 900 D N 4.029 124.391 120.400 -0.065 0.000 2.373 900 D HA 0.388 5.031 4.640 0.005 0.000 0.227 900 D C 0.768 177.048 176.300 -0.033 0.000 1.091 900 D CA -0.197 53.763 54.000 -0.067 0.000 0.840 900 D CB 1.916 42.673 40.800 -0.072 0.000 1.060 900 D HN 0.364 nan 8.370 nan 0.000 0.502 901 L N 2.880 124.081 121.223 -0.036 0.000 2.131 901 L HA 0.007 4.350 4.340 0.005 0.000 0.206 901 L C 0.899 177.756 176.870 -0.022 0.000 1.087 901 L CA 0.535 55.359 54.840 -0.028 0.000 0.767 901 L CB -0.145 41.897 42.059 -0.029 0.000 0.917 901 L HN 0.300 nan 8.230 nan 0.000 0.441 902 L N -0.702 120.507 121.223 -0.024 0.000 2.468 902 L HA 0.094 4.437 4.340 0.005 0.000 0.253 902 L C 0.579 177.442 176.870 -0.012 0.000 1.237 902 L CA -0.251 54.578 54.840 -0.019 0.000 0.823 902 L CB -0.291 41.754 42.059 -0.024 0.000 1.124 902 L HN 0.163 nan 8.230 nan 0.000 0.504 903 N N -0.704 117.993 118.700 -0.004 0.000 2.407 903 N HA -0.166 4.577 4.740 0.005 0.000 0.284 903 N C 0.613 176.141 175.510 0.030 0.000 1.508 903 N CA 0.791 53.852 53.050 0.019 0.000 0.779 903 N CB -0.218 38.284 38.487 0.024 0.000 0.916 903 N HN 0.874 nan 8.380 nan 0.000 0.474 904 T N 0.899 115.464 114.554 0.017 0.000 2.803 904 T HA -0.154 4.199 4.350 0.005 0.000 0.269 904 T C 1.027 175.722 174.700 -0.008 0.000 1.052 904 T CA 1.744 63.844 62.100 0.001 0.000 1.136 904 T CB -0.079 68.785 68.868 -0.006 0.000 0.864 904 T HN 0.499 nan 8.240 nan 0.000 0.467 905 D N 0.512 120.920 120.400 0.014 0.000 2.137 905 D HA -0.026 4.617 4.640 0.005 0.000 0.202 905 D C 1.428 177.620 176.300 -0.181 0.000 0.970 905 D CA 0.895 54.850 54.000 -0.075 0.000 0.837 905 D CB -0.190 40.573 40.800 -0.062 0.000 0.981 905 D HN 0.538 nan 8.370 nan 0.000 0.475 906 H N -0.069 118.970 119.070 -0.051 0.000 2.550 906 H HA 0.261 4.820 4.556 0.005 0.000 0.304 906 H C 0.002 175.288 175.328 -0.070 0.000 1.086 906 H CA 0.064 56.073 56.048 -0.064 0.000 1.089 906 H CB 0.071 29.788 29.762 -0.076 0.000 1.528 906 H HN -0.011 nan 8.280 nan 0.000 0.539 907 T N 0.856 115.413 114.554 0.005 0.000 2.881 907 T HA 0.272 4.625 4.350 0.005 0.000 0.278 907 T C 0.850 175.525 174.700 -0.041 0.000 0.982 907 T CA -0.790 61.300 62.100 -0.018 0.000 0.989 907 T CB 1.662 70.516 68.868 -0.023 0.000 1.058 907 T HN 0.158 nan 8.240 nan 0.000 0.529 908 L N 2.309 123.505 121.223 -0.045 0.000 2.515 908 L HA 0.157 4.500 4.340 0.005 0.000 0.281 908 L C 0.490 177.329 176.870 -0.052 0.000 1.131 908 L CA -0.445 54.362 54.840 -0.056 0.000 0.905 908 L CB -0.328 41.696 42.059 -0.058 0.000 1.246 908 L HN 0.646 nan 8.230 nan 0.000 0.463 909 D N 6.320 126.686 120.400 -0.056 0.000 2.583 909 D HA -0.056 4.587 4.640 0.005 0.000 0.232 909 D C -1.061 175.212 176.300 -0.045 0.000 1.128 909 D CA -0.795 53.175 54.000 -0.050 0.000 0.859 909 D CB 0.990 41.759 40.800 -0.052 0.000 1.169 909 D HN 0.289 nan 8.370 nan 0.000 0.481 910 P HA -0.229 nan 4.420 nan 0.000 0.220 910 P C 1.290 178.570 177.300 -0.034 0.000 1.144 910 P CA 0.843 63.922 63.100 -0.035 0.000 0.800 910 P CB 0.095 31.778 31.700 -0.029 0.000 0.772 911 S N 0.588 116.268 115.700 -0.033 0.000 2.359 911 S HA -0.178 4.294 4.470 0.005 0.000 0.223 911 S C 1.996 176.575 174.600 -0.035 0.000 1.039 911 S CA 1.404 59.586 58.200 -0.030 0.000 1.042 911 S CB -1.248 61.935 63.200 -0.028 0.000 0.915 911 S HN 0.114 nan 8.310 nan 0.000 0.439 912 L N -0.183 121.013 121.223 -0.044 0.000 2.275 912 L HA 0.232 4.575 4.340 0.005 0.000 0.215 912 L C 0.366 177.201 176.870 -0.058 0.000 1.119 912 L CA 0.174 54.981 54.840 -0.055 0.000 0.790 912 L CB -0.341 41.678 42.059 -0.067 0.000 0.919 912 L HN 0.317 nan 8.230 nan 0.000 0.443 913 L N -1.100 120.092 121.223 -0.052 0.000 2.455 913 L HA 0.242 4.585 4.340 0.005 0.000 0.264 913 L C 0.733 177.576 176.870 -0.044 0.000 0.968 913 L CA -0.195 54.612 54.840 -0.055 0.000 0.827 913 L CB 1.903 43.926 42.059 -0.060 0.000 1.317 913 L HN -0.147 nan 8.230 nan 0.000 0.407 914 E N 0.625 120.799 120.200 -0.044 0.000 2.077 914 E HA -0.156 4.197 4.350 0.005 0.000 0.193 914 E C 1.109 177.689 176.600 -0.034 0.000 0.989 914 E CA 1.670 58.049 56.400 -0.035 0.000 0.800 914 E CB 0.297 29.976 29.700 -0.034 0.000 0.746 914 E HN 0.704 nan 8.360 nan 0.000 0.452 915 S N -0.894 114.783 115.700 -0.039 0.000 2.743 915 S HA 0.160 4.633 4.470 0.005 0.000 0.230 915 S C 1.588 176.166 174.600 -0.037 0.000 0.950 915 S CA 0.028 58.206 58.200 -0.036 0.000 0.976 915 S CB 0.513 63.689 63.200 -0.039 0.000 0.779 915 S HN 0.314 nan 8.310 nan 0.000 0.487 916 G N 2.639 111.417 108.800 -0.037 0.000 2.418 916 G HA2 -0.194 3.769 3.960 0.005 0.000 0.217 916 G HA3 -0.194 3.769 3.960 0.005 0.000 0.217 916 G C 1.589 176.469 174.900 -0.032 0.000 1.158 916 G CA 1.046 46.123 45.100 -0.037 0.000 0.771 916 G HN 0.805 nan 8.290 nan 0.000 0.545 917 S N 0.437 116.120 115.700 -0.028 0.000 2.511 917 S HA 0.079 4.552 4.470 0.005 0.000 0.214 917 S C 1.623 176.210 174.600 -0.022 0.000 0.997 917 S CA 0.766 58.951 58.200 -0.024 0.000 0.908 917 S CB 0.107 63.294 63.200 -0.022 0.000 0.803 917 S HN 0.672 nan 8.310 nan 0.000 0.504 918 E N 0.232 120.419 120.200 -0.023 0.000 2.445 918 E HA 0.230 4.583 4.350 0.005 0.000 0.189 918 E C 0.953 177.539 176.600 -0.023 0.000 1.069 918 E CA -0.124 56.263 56.400 -0.021 0.000 0.871 918 E CB -0.045 29.643 29.700 -0.020 0.000 0.991 918 E HN 0.363 nan 8.360 nan 0.000 0.481 919 I N 0.756 121.311 120.570 -0.025 0.000 3.445 919 I HA 0.145 4.318 4.170 0.005 0.000 0.288 919 I C 0.897 176.999 176.117 -0.025 0.000 1.198 919 I CA -0.700 60.583 61.300 -0.027 0.000 1.417 919 I CB -0.100 37.880 38.000 -0.033 0.000 1.205 919 I HN 0.278 nan 8.210 nan 0.000 0.448 920 L N 1.325 122.533 121.223 -0.024 0.000 2.615 920 L HA 0.219 4.562 4.340 0.005 0.000 0.284 920 L C 1.265 178.123 176.870 -0.019 0.000 1.237 920 L CA 1.196 56.023 54.840 -0.022 0.000 0.905 920 L CB -0.246 41.800 42.059 -0.020 0.000 1.149 920 L HN 0.608 nan 8.230 nan 0.000 0.499 921 G N 3.311 112.101 108.800 -0.018 0.000 2.972 921 G HA2 -0.291 3.672 3.960 0.005 0.000 0.265 921 G HA3 -0.291 3.672 3.960 0.005 0.000 0.265 921 G C 0.136 175.025 174.900 -0.018 0.000 1.506 921 G CA 0.134 45.224 45.100 -0.017 0.000 1.016 921 G HN 0.915 nan 8.290 nan 0.000 0.563 922 D N -1.398 118.992 120.400 -0.017 0.000 3.555 922 D HA -0.165 4.478 4.640 0.005 0.000 0.255 922 D C 1.265 177.555 176.300 -0.017 0.000 1.942 922 D CA 2.152 56.142 54.000 -0.017 0.000 1.112 922 D CB -0.820 39.968 40.800 -0.020 0.000 0.856 922 D HN 1.191 nan 8.370 nan 0.000 1.027 923 L N -1.499 119.715 121.223 -0.016 0.000 1.240 923 L HA -0.040 4.303 4.340 0.005 0.000 0.052 923 L C 1.933 178.795 176.870 -0.013 0.000 1.525 923 L CA 0.095 54.926 54.840 -0.015 0.000 1.118 923 L CB -0.683 41.368 42.059 -0.013 0.000 2.255 923 L HN 0.229 nan 8.230 nan 0.000 0.438 924 K N 0.965 121.358 120.400 -0.012 0.000 2.228 924 K HA -0.121 4.202 4.320 0.005 0.000 0.205 924 K C 1.730 178.322 176.600 -0.012 0.000 1.045 924 K CA 1.621 57.901 56.287 -0.011 0.000 0.931 924 K CB -0.028 32.465 32.500 -0.011 0.000 0.727 924 K HN 0.302 nan 8.250 nan 0.000 0.458 925 L N -0.320 120.894 121.223 -0.015 0.000 2.221 925 L HA -0.054 4.289 4.340 0.005 0.000 0.202 925 L C 2.466 179.326 176.870 -0.016 0.000 1.074 925 L CA 0.238 55.068 54.840 -0.017 0.000 0.795 925 L CB -0.283 41.763 42.059 -0.022 0.000 0.960 925 L HN 0.070 nan 8.230 nan 0.000 0.458 926 Q N 0.384 120.174 119.800 -0.018 0.000 2.217 926 Q HA -0.190 4.153 4.340 0.005 0.000 0.209 926 Q C 2.283 178.277 176.000 -0.011 0.000 0.988 926 Q CA 1.509 57.300 55.803 -0.019 0.000 0.878 926 Q CB -0.419 28.306 28.738 -0.023 0.000 0.909 926 Q HN 0.343 nan 8.270 nan 0.000 0.424 927 V N 0.660 120.569 119.914 -0.008 0.000 2.287 927 V HA -0.272 3.851 4.120 0.005 0.000 0.248 927 V C 2.447 178.543 176.094 0.003 0.000 1.053 927 V CA 1.538 63.837 62.300 -0.002 0.000 1.027 927 V CB -0.535 31.286 31.823 -0.004 0.000 0.646 927 V HN 0.305 nan 8.190 nan 0.000 0.447 928 L N -0.892 120.331 121.223 -0.000 0.000 2.141 928 L HA -0.140 4.203 4.340 0.005 0.000 0.209 928 L C 2.283 179.160 176.870 0.013 0.000 1.094 928 L CA 1.298 56.140 54.840 0.004 0.000 0.763 928 L CB -0.290 41.767 42.059 -0.003 0.000 0.908 928 L HN 0.326 nan 8.230 nan 0.000 0.437 929 L N -1.170 120.058 121.223 0.009 0.000 2.179 929 L HA -0.149 4.194 4.340 0.005 0.000 0.208 929 L C 2.060 178.961 176.870 0.052 0.000 1.096 929 L CA 0.666 55.520 54.840 0.022 0.000 0.779 929 L CB -0.636 41.422 42.059 -0.001 0.000 0.922 929 L HN 0.219 nan 8.230 nan 0.000 0.443 930 D N 0.268 120.689 120.400 0.036 0.000 2.123 930 D HA -0.215 4.428 4.640 0.005 0.000 0.196 930 D C 1.994 178.348 176.300 0.090 0.000 0.992 930 D CA 1.118 55.156 54.000 0.064 0.000 0.833 930 D CB 0.038 40.857 40.800 0.032 0.000 0.954 930 D HN 0.183 nan 8.370 nan 0.000 0.455 931 E N 1.141 121.372 120.200 0.052 0.000 2.065 931 E HA -0.254 4.098 4.350 0.005 0.000 0.201 931 E C 1.897 178.525 176.600 0.048 0.000 1.016 931 E CA 1.962 58.386 56.400 0.039 0.000 0.818 931 E CB -0.289 29.423 29.700 0.020 0.000 0.749 931 E HN 0.494 nan 8.360 nan 0.000 0.453 932 E N -1.388 118.847 120.200 0.060 0.000 2.058 932 E HA -0.270 4.082 4.350 0.005 0.000 0.194 932 E C 2.228 178.883 176.600 0.092 0.000 0.997 932 E CA 1.328 57.765 56.400 0.062 0.000 0.801 932 E CB -0.630 29.110 29.700 0.068 0.000 0.746 932 E HN 0.458 nan 8.360 nan 0.000 0.450 933 Y N 1.411 121.711 120.300 0.001 0.000 2.200 933 Y HA -0.145 4.408 4.550 0.005 0.000 0.290 933 Y C 2.357 178.276 175.900 0.032 0.000 1.137 933 Y CA 2.079 60.187 58.100 0.013 0.000 1.163 933 Y CB -0.117 38.352 38.460 0.015 0.000 0.988 933 Y HN -0.013 nan 8.280 nan 0.000 0.518 934 K N -0.178 120.284 120.400 0.104 0.000 2.001 934 K HA -0.354 3.969 4.320 0.005 0.000 0.214 934 K C 2.251 178.819 176.600 -0.053 0.000 1.050 934 K CA 2.112 58.412 56.287 0.021 0.000 0.934 934 K CB -0.318 32.204 32.500 0.037 0.000 0.718 934 K HN 0.244 nan 8.250 nan 0.000 0.443 935 Q N 0.893 120.669 119.800 -0.040 0.000 2.152 935 Q HA -0.128 4.215 4.340 0.005 0.000 0.206 935 Q C 1.775 177.720 176.000 -0.091 0.000 0.985 935 Q CA 1.745 57.511 55.803 -0.063 0.000 0.863 935 Q CB -0.177 28.531 28.738 -0.050 0.000 0.904 935 Q HN 0.485 nan 8.270 nan 0.000 0.422 936 L N -1.082 120.071 121.223 -0.117 0.000 2.554 936 L HA 0.023 4.366 4.340 0.005 0.000 0.226 936 L C 1.723 178.539 176.870 -0.090 0.000 1.137 936 L CA 0.031 54.794 54.840 -0.129 0.000 0.863 936 L CB -0.162 41.764 42.059 -0.221 0.000 0.985 936 L HN 0.039 nan 8.230 nan 0.000 0.451 937 V N -0.204 119.608 119.914 -0.170 0.000 2.426 937 V HA -0.135 3.988 4.120 0.005 0.000 0.242 937 V C 2.487 178.507 176.094 -0.122 0.000 1.036 937 V CA 1.154 63.343 62.300 -0.184 0.000 1.044 937 V CB -0.358 31.346 31.823 -0.199 0.000 0.688 937 V HN 0.335 nan 8.190 nan 0.000 0.462 938 K N 0.301 120.649 120.400 -0.087 0.000 2.173 938 K HA -0.280 4.042 4.320 0.005 0.000 0.207 938 K C 1.718 178.304 176.600 -0.023 0.000 1.046 938 K CA 2.171 58.427 56.287 -0.052 0.000 0.929 938 K CB -0.177 32.286 32.500 -0.061 0.000 0.720 938 K HN 0.450 nan 8.250 nan 0.000 0.453 939 D N -0.314 120.059 120.400 -0.046 0.000 2.085 939 D HA -0.134 4.508 4.640 0.005 0.000 0.199 939 D C 1.887 178.220 176.300 0.056 0.000 0.981 939 D CA 1.003 55.000 54.000 -0.004 0.000 0.834 939 D CB -0.163 40.612 40.800 -0.042 0.000 0.992 939 D HN 0.204 nan 8.370 nan 0.000 0.457 940 R N 0.732 121.207 120.500 -0.041 0.000 2.127 940 R HA -0.118 4.224 4.340 0.005 0.000 0.238 940 R C 1.870 178.138 176.300 -0.053 0.000 1.134 940 R CA 1.184 57.231 56.100 -0.088 0.000 0.975 940 R CB 0.119 30.223 30.300 -0.326 0.000 0.865 940 R HN 0.017 nan 8.270 nan 0.000 0.447 941 K N -0.319 120.056 120.400 -0.042 0.000 2.166 941 K HA -0.086 4.237 4.320 0.005 0.000 0.201 941 K C 1.827 178.437 176.600 0.018 0.000 1.052 941 K CA 0.746 57.015 56.287 -0.030 0.000 0.969 941 K CB -0.174 32.297 32.500 -0.049 0.000 0.761 941 K HN 0.151 nan 8.250 nan 0.000 0.459 942 F N 1.927 121.830 119.950 -0.078 0.000 2.202 942 F HA -0.205 4.325 4.527 0.005 0.000 0.301 942 F C 1.660 177.412 175.800 -0.081 0.000 1.082 942 F CA 1.148 59.099 58.000 -0.081 0.000 1.313 942 F CB -0.022 38.930 39.000 -0.080 0.000 1.024 942 F HN -0.076 nan 8.300 nan 0.000 0.495 943 L N 0.157 121.388 121.223 0.014 0.000 2.034 943 L HA -0.103 4.240 4.340 0.005 0.000 0.203 943 L C 2.614 179.433 176.870 -0.084 0.000 1.074 943 L CA 1.164 55.983 54.840 -0.035 0.000 0.748 943 L CB -0.654 41.503 42.059 0.164 0.000 0.905 943 L HN -0.095 nan 8.230 nan 0.000 0.439 944 R N 0.008 120.507 120.500 -0.001 0.000 2.261 944 R HA -0.213 4.130 4.340 0.005 0.000 0.236 944 R C 1.895 178.166 176.300 -0.047 0.000 1.141 944 R CA 1.142 57.274 56.100 0.055 0.000 1.001 944 R CB -0.285 30.078 30.300 0.104 0.000 0.866 944 R HN 0.486 nan 8.270 nan 0.000 0.468 945 E N -0.243 119.848 120.200 -0.182 0.000 2.170 945 E HA -0.057 4.295 4.350 0.005 0.000 0.191 945 E C 1.797 178.161 176.600 -0.394 0.000 0.981 945 E CA 0.462 56.708 56.400 -0.257 0.000 0.830 945 E CB 0.393 29.923 29.700 -0.283 0.000 0.775 945 E HN 0.053 nan 8.360 nan 0.000 0.470 946 V N 0.126 119.680 119.914 -0.599 0.000 2.300 946 V HA -0.084 4.039 4.120 0.005 0.000 0.241 946 V C 0.538 176.180 176.094 -0.754 0.000 1.034 946 V CA 1.130 62.928 62.300 -0.836 0.000 1.021 946 V CB -0.118 30.958 31.823 -1.245 0.000 0.662 946 V HN 0.134 nan 8.190 nan 0.000 0.458 947 F N 1.005 120.789 119.950 -0.278 0.000 2.425 947 F HA 0.295 4.824 4.527 0.005 0.000 0.354 947 F C 1.270 177.028 175.800 -0.070 0.000 1.162 947 F CA -0.387 57.512 58.000 -0.169 0.000 1.250 947 F CB 0.338 39.264 39.000 -0.124 0.000 1.579 947 F HN -0.018 nan 8.300 nan 0.000 0.589 948 V N -1.613 118.332 119.914 0.052 0.000 2.490 948 V HA -0.255 3.868 4.120 0.005 0.000 0.250 948 V C 1.787 177.974 176.094 0.155 0.000 1.061 948 V CA 1.946 64.291 62.300 0.075 0.000 1.064 948 V CB -0.469 31.358 31.823 0.006 0.000 0.670 948 V HN 0.602 nan 8.190 nan 0.000 0.461 949 D N 1.260 121.727 120.400 0.112 0.000 2.350 949 D HA 0.058 4.701 4.640 0.005 0.000 0.216 949 D C 1.804 178.023 176.300 -0.134 0.000 0.968 949 D CA 1.070 55.112 54.000 0.071 0.000 0.894 949 D CB -0.477 40.359 40.800 0.061 0.000 0.909 949 D HN 0.993 nan 8.370 nan 0.000 0.520 950 G N 0.755 109.373 108.800 -0.304 0.000 2.148 950 G HA2 -0.335 3.628 3.960 0.005 0.000 0.254 950 G HA3 -0.335 3.628 3.960 0.005 0.000 0.254 950 G C 0.054 174.705 174.900 -0.414 0.000 0.981 950 G CA 0.277 44.834 45.100 -0.905 0.000 0.670 950 G HN 0.530 nan 8.290 nan 0.000 0.528 951 E N 0.472 120.600 120.200 -0.121 0.000 2.480 951 E HA 0.553 4.906 4.350 0.005 0.000 0.258 951 E C 1.331 177.894 176.600 -0.061 0.000 0.984 951 E CA 1.017 57.353 56.400 -0.106 0.000 0.930 951 E CB 0.586 30.247 29.700 -0.065 0.000 0.936 951 E HN 0.682 nan 8.360 nan 0.000 0.466 952 A N 5.277 127.982 122.820 -0.191 0.000 1.924 952 A HA 0.046 4.369 4.320 0.005 0.000 0.211 952 A C 0.420 177.898 177.584 -0.176 0.000 1.198 952 A CA 0.156 52.123 52.037 -0.117 0.000 0.657 952 A CB -0.044 18.899 19.000 -0.094 0.000 0.852 952 A HN 0.636 nan 8.150 nan 0.000 0.454 953 N N -0.171 118.262 118.700 -0.444 0.000 2.430 953 N HA 0.333 5.076 4.740 0.005 0.000 0.265 953 N C -1.708 173.335 175.510 -0.779 0.000 1.100 953 N CA 0.388 53.171 53.050 -0.446 0.000 0.961 953 N CB 0.445 38.708 38.487 -0.373 0.000 1.075 953 N HN 0.483 nan 8.380 nan 0.000 0.478 954 W N 2.057 123.248 121.300 -0.182 0.000 3.211 954 W HA 0.265 4.928 4.660 0.005 0.000 0.335 954 W C -2.169 174.318 176.519 -0.054 0.000 1.113 954 W CA -1.670 55.576 57.345 -0.165 0.000 1.235 954 W CB 1.380 30.668 29.460 -0.288 0.000 1.365 954 W HN 0.325 nan 8.180 nan 0.000 0.476 955 P HA -0.036 nan 4.420 nan 0.000 0.255 955 P C -0.652 176.763 177.300 0.191 0.000 1.161 955 P CA 1.045 64.262 63.100 0.195 0.000 0.768 955 P CB 0.674 32.525 31.700 0.251 0.000 0.746 956 L N 5.901 127.219 121.223 0.158 0.000 2.393 956 L HA 0.549 4.892 4.340 0.005 0.000 0.260 956 L C -2.318 174.607 176.870 0.092 0.000 1.002 956 L CA -2.610 52.325 54.840 0.159 0.000 0.818 956 L CB 3.150 45.365 42.059 0.259 0.000 1.369 956 L HN 0.146 nan 8.230 nan 0.000 0.412 957 P HA 0.215 nan 4.420 nan 0.000 0.276 957 P C -0.885 176.345 177.300 -0.118 0.000 1.244 957 P CA -0.096 62.922 63.100 -0.136 0.000 0.801 957 P CB 1.244 32.725 31.700 -0.366 0.000 1.006 958 V N -0.479 119.399 119.914 -0.059 0.000 3.683 958 V HA -0.218 3.905 4.120 0.005 0.000 0.493 958 V C 0.533 176.707 176.094 0.133 0.000 0.682 958 V CA 0.133 62.461 62.300 0.047 0.000 2.008 958 V CB -1.794 30.101 31.823 0.121 0.000 2.427 958 V HN 0.907 nan 8.190 nan 0.000 0.505 959 N N 4.215 122.967 118.700 0.087 0.000 2.420 959 N HA 0.279 5.022 4.740 0.005 0.000 0.262 959 N C 0.803 176.370 175.510 0.095 0.000 1.144 959 N CA 0.023 53.124 53.050 0.085 0.000 0.952 959 N CB 1.178 39.687 38.487 0.037 0.000 1.081 959 N HN 0.685 nan 8.380 nan 0.000 0.480 960 I N 3.666 124.305 120.570 0.115 0.000 2.277 960 I HA -0.098 4.075 4.170 0.005 0.000 0.243 960 I C 2.508 178.647 176.117 0.036 0.000 1.094 960 I CA 0.500 61.849 61.300 0.082 0.000 1.393 960 I CB -0.094 37.959 38.000 0.089 0.000 1.078 960 I HN 0.560 nan 8.210 nan 0.000 0.417 961 R N 0.439 120.963 120.500 0.040 0.000 2.117 961 R HA -0.198 4.145 4.340 0.005 0.000 0.243 961 R C 2.429 178.740 176.300 0.018 0.000 1.143 961 R CA 1.525 57.634 56.100 0.014 0.000 0.968 961 R CB -0.097 30.227 30.300 0.040 0.000 0.863 961 R HN 0.258 nan 8.270 nan 0.000 0.444 962 R N 0.101 120.632 120.500 0.051 0.000 2.061 962 R HA -0.066 4.277 4.340 0.005 0.000 0.230 962 R C 2.303 178.670 176.300 0.112 0.000 1.140 962 R CA 1.660 57.814 56.100 0.090 0.000 0.940 962 R CB -0.367 29.986 30.300 0.089 0.000 0.839 962 R HN 0.236 nan 8.270 nan 0.000 0.429 963 I N 1.093 121.714 120.570 0.084 0.000 2.367 963 I HA -0.333 3.839 4.170 0.005 0.000 0.256 963 I C 2.041 178.251 176.117 0.156 0.000 1.132 963 I CA 1.082 62.439 61.300 0.096 0.000 1.397 963 I CB -0.259 37.741 38.000 -0.000 0.000 1.074 963 I HN 0.263 nan 8.210 nan 0.000 0.435 964 I N 0.627 121.218 120.570 0.035 0.000 2.270 964 I HA -0.220 3.953 4.170 0.005 0.000 0.239 964 I C 2.532 178.644 176.117 -0.009 0.000 1.080 964 I CA 1.460 62.718 61.300 -0.070 0.000 1.383 964 I CB -1.039 36.723 38.000 -0.398 0.000 1.097 964 I HN 0.369 nan 8.210 nan 0.000 0.420 965 Q N -0.031 119.761 119.800 -0.012 0.000 2.436 965 Q HA -0.072 4.271 4.340 0.005 0.000 0.209 965 Q C 1.532 177.514 176.000 -0.030 0.000 0.965 965 Q CA 0.850 56.628 55.803 -0.042 0.000 0.910 965 Q CB -0.418 28.270 28.738 -0.085 0.000 0.980 965 Q HN 0.320 nan 8.270 nan 0.000 0.491 966 N N -0.043 118.763 118.700 0.177 0.000 2.461 966 N HA 0.093 4.836 4.740 0.005 0.000 0.188 966 N C 0.729 176.390 175.510 0.252 0.000 1.134 966 N CA 0.803 54.045 53.050 0.319 0.000 0.878 966 N CB 0.375 39.108 38.487 0.412 0.000 0.972 966 N HN 0.438 nan 8.380 nan 0.000 0.456 967 A N 0.474 123.433 122.820 0.231 0.000 1.984 967 A HA -0.008 4.314 4.320 0.005 0.000 0.203 967 A C 1.793 179.465 177.584 0.147 0.000 1.292 967 A CA 0.071 52.212 52.037 0.172 0.000 0.782 967 A CB -0.251 18.972 19.000 0.371 0.000 0.924 967 A HN 0.377 nan 8.150 nan 0.000 0.475 968 Q N -0.252 119.612 119.800 0.106 0.000 2.541 968 Q HA -0.156 4.187 4.340 0.005 0.000 0.215 968 Q C 1.601 177.665 176.000 0.108 0.000 0.977 968 Q CA 1.447 57.319 55.803 0.115 0.000 0.934 968 Q CB -0.163 28.652 28.738 0.128 0.000 0.988 968 Q HN 0.661 nan 8.270 nan 0.000 0.521 969 Q N 2.087 121.907 119.800 0.034 0.000 2.123 969 Q HA -0.048 4.295 4.340 0.005 0.000 0.193 969 Q C 1.539 177.427 176.000 -0.186 0.000 0.981 969 Q CA 1.983 57.790 55.803 0.007 0.000 0.833 969 Q CB -0.259 28.521 28.738 0.069 0.000 0.914 969 Q HN 0.410 nan 8.270 nan 0.000 0.484 970 T N -1.543 112.825 114.554 -0.310 0.000 3.584 970 T HA 0.115 4.468 4.350 0.005 0.000 0.252 970 T C 0.051 174.150 174.700 -1.001 0.000 1.103 970 T CA 0.246 61.955 62.100 -0.652 0.000 0.977 970 T CB -0.585 67.796 68.868 -0.811 0.000 1.044 970 T HN 0.303 nan 8.240 nan 0.000 0.589 971 F N -0.994 118.777 119.950 -0.298 0.000 3.051 971 F HA 0.226 4.756 4.527 0.005 0.000 0.341 971 F C 0.076 175.848 175.800 -0.047 0.000 1.227 971 F CA -1.159 56.725 58.000 -0.193 0.000 1.030 971 F CB 0.075 38.963 39.000 -0.186 0.000 1.381 971 F HN 0.124 nan 8.300 nan 0.000 0.507 972 H N 1.804 120.911 119.070 0.061 0.000 1.771 972 H HA -0.169 4.389 4.556 0.005 0.000 0.296 972 H C -0.388 174.990 175.328 0.083 0.000 0.739 972 H CA 0.413 56.495 56.048 0.058 0.000 0.999 972 H CB -0.422 29.358 29.762 0.030 0.000 1.440 972 H HN 0.133 nan 8.280 nan 0.000 0.235 973 I N 4.446 125.148 120.570 0.221 0.000 2.406 973 I HA 0.169 4.342 4.170 0.005 0.000 0.290 973 I C -0.378 175.852 176.117 0.187 0.000 0.999 973 I CA -1.190 60.198 61.300 0.147 0.000 1.124 973 I CB 1.206 39.246 38.000 0.066 0.000 1.289 973 I HN 0.460 nan 8.210 nan 0.000 0.441 974 D N 5.493 125.974 120.400 0.135 0.000 2.312 974 D HA 0.086 4.729 4.640 0.005 0.000 0.252 974 D C 0.318 176.713 176.300 0.159 0.000 1.150 974 D CA 0.194 54.291 54.000 0.162 0.000 0.870 974 D CB 0.320 41.170 40.800 0.084 0.000 1.153 974 D HN 0.580 nan 8.370 nan 0.000 0.457 975 H N 1.446 120.527 119.070 0.019 0.000 2.566 975 H HA 0.073 4.632 4.556 0.005 0.000 0.280 975 H C 0.065 175.396 175.328 0.004 0.000 1.042 975 H CA 0.072 56.130 56.048 0.016 0.000 1.168 975 H CB 0.139 29.913 29.762 0.020 0.000 1.340 975 H HN 0.429 nan 8.280 nan 0.000 0.597 976 T N -0.130 114.484 114.554 0.100 0.000 3.339 976 T HA 0.162 4.514 4.350 0.005 0.000 0.292 976 T C 0.155 174.871 174.700 0.026 0.000 1.012 976 T CA -0.307 61.823 62.100 0.050 0.000 0.937 976 T CB 0.500 69.392 68.868 0.040 0.000 1.164 976 T HN 0.067 nan 8.240 nan 0.000 0.509 977 K N 2.783 123.193 120.400 0.017 0.000 2.464 977 K HA 0.536 4.859 4.320 0.005 0.000 0.253 977 K C -2.883 173.707 176.600 -0.017 0.000 0.933 977 K CA -2.099 54.188 56.287 0.000 0.000 0.801 977 K CB 1.886 34.388 32.500 0.003 0.000 1.271 977 K HN -0.147 nan 8.250 nan 0.000 0.430 978 P HA 0.017 nan 4.420 nan 0.000 0.271 978 P C -0.409 176.867 177.300 -0.041 0.000 1.216 978 P CA -0.227 62.853 63.100 -0.033 0.000 0.776 978 P CB 1.340 33.022 31.700 -0.030 0.000 0.881 979 S N 1.110 116.778 115.700 -0.055 0.000 2.606 979 S HA 0.025 4.498 4.470 0.005 0.000 0.257 979 S C 0.854 175.419 174.600 -0.059 0.000 1.327 979 S CA -0.163 57.999 58.200 -0.063 0.000 0.984 979 S CB -0.069 63.082 63.200 -0.083 0.000 0.941 979 S HN 0.641 nan 8.310 nan 0.000 0.576 980 D N 1.596 121.959 120.400 -0.062 0.000 2.559 980 D HA 0.158 4.801 4.640 0.005 0.000 0.234 980 D C -0.148 176.110 176.300 -0.070 0.000 1.226 980 D CA -0.183 53.784 54.000 -0.055 0.000 0.830 980 D CB -0.325 40.452 40.800 -0.039 0.000 1.028 980 D HN 0.301 nan 8.370 nan 0.000 0.492 981 L N 0.800 121.962 121.223 -0.101 0.000 2.379 981 L HA 0.349 4.692 4.340 0.005 0.000 0.269 981 L C 0.643 177.444 176.870 -0.116 0.000 1.084 981 L CA -0.453 54.306 54.840 -0.136 0.000 0.802 981 L CB 1.652 43.572 42.059 -0.231 0.000 1.175 981 L HN -0.143 nan 8.230 nan 0.000 0.448 982 T N 0.722 115.210 114.554 -0.109 0.000 2.922 982 T HA 0.275 4.628 4.350 0.005 0.000 0.285 982 T C 1.682 176.317 174.700 -0.108 0.000 1.005 982 T CA -0.772 61.275 62.100 -0.088 0.000 1.061 982 T CB 1.451 70.282 68.868 -0.062 0.000 1.007 982 T HN 0.290 nan 8.240 nan 0.000 0.502 983 I N 1.042 121.561 120.570 -0.086 0.000 2.143 983 I HA -0.247 3.926 4.170 0.005 0.000 0.245 983 I C 2.301 178.373 176.117 -0.075 0.000 1.068 983 I CA 1.837 63.090 61.300 -0.079 0.000 1.326 983 I CB -1.025 36.942 38.000 -0.054 0.000 1.028 983 I HN 0.728 nan 8.210 nan 0.000 0.412 984 K N 0.430 120.795 120.400 -0.057 0.000 2.209 984 K HA -0.185 4.138 4.320 0.005 0.000 0.204 984 K C 1.576 178.150 176.600 -0.044 0.000 1.048 984 K CA 1.390 57.654 56.287 -0.040 0.000 0.940 984 K CB -0.067 32.416 32.500 -0.027 0.000 0.729 984 K HN 0.355 nan 8.250 nan 0.000 0.451 985 D N 0.293 120.644 120.400 -0.082 0.000 2.123 985 D HA -0.093 4.550 4.640 0.005 0.000 0.200 985 D C 1.699 177.911 176.300 -0.146 0.000 0.976 985 D CA 0.967 54.911 54.000 -0.093 0.000 0.831 985 D CB -0.017 40.697 40.800 -0.144 0.000 0.974 985 D HN 0.150 nan 8.370 nan 0.000 0.469 986 I N 0.147 120.551 120.570 -0.276 0.000 2.141 986 I HA -0.203 3.970 4.170 0.005 0.000 0.236 986 I C 2.361 178.477 176.117 -0.002 0.000 1.071 986 I CA 0.654 61.781 61.300 -0.289 0.000 1.345 986 I CB -0.345 37.478 38.000 -0.295 0.000 1.066 986 I HN -0.115 nan 8.210 nan 0.000 0.406 987 V N 0.912 120.814 119.914 -0.020 0.000 2.295 987 V HA -0.268 3.855 4.120 0.005 0.000 0.246 987 V C 2.270 178.384 176.094 0.034 0.000 1.049 987 V CA 1.954 64.264 62.300 0.017 0.000 1.024 987 V CB -0.401 31.422 31.823 -0.000 0.000 0.648 987 V HN 0.412 nan 8.190 nan 0.000 0.447 988 L N -0.319 120.918 121.223 0.024 0.000 2.554 988 L HA 0.213 4.556 4.340 0.005 0.000 0.226 988 L C 1.995 178.896 176.870 0.051 0.000 1.137 988 L CA 1.052 55.908 54.840 0.026 0.000 0.863 988 L CB -0.300 41.766 42.059 0.012 0.000 0.985 988 L HN 0.302 nan 8.230 nan 0.000 0.451 989 G N -0.827 108.032 108.800 0.098 0.000 2.499 989 G HA2 -0.147 3.816 3.960 0.005 0.000 0.213 989 G HA3 -0.147 3.816 3.960 0.005 0.000 0.213 989 G C 1.377 176.349 174.900 0.119 0.000 1.230 989 G CA 0.673 45.866 45.100 0.155 0.000 0.813 989 G HN 0.119 nan 8.290 nan 0.000 0.542 990 V N 1.205 121.218 119.914 0.165 0.000 2.280 990 V HA -0.341 3.782 4.120 0.005 0.000 0.258 990 V C 2.742 178.848 176.094 0.019 0.000 1.081 990 V CA 2.639 64.989 62.300 0.084 0.000 1.070 990 V CB -0.444 31.446 31.823 0.111 0.000 0.666 990 V HN 0.435 nan 8.190 nan 0.000 0.450 991 K N -1.003 119.411 120.400 0.023 0.000 2.280 991 K HA -0.180 4.142 4.320 0.005 0.000 0.202 991 K C 1.124 177.716 176.600 -0.013 0.000 1.047 991 K CA 1.518 57.803 56.287 -0.003 0.000 0.942 991 K CB -0.054 32.447 32.500 0.001 0.000 0.739 991 K HN 0.525 nan 8.250 nan 0.000 0.457 992 D N -0.244 120.154 120.400 -0.004 0.000 2.433 992 D HA -0.025 4.618 4.640 0.005 0.000 0.211 992 D C 1.233 177.516 176.300 -0.028 0.000 1.114 992 D CA -0.000 53.992 54.000 -0.013 0.000 0.837 992 D CB 0.510 41.310 40.800 0.001 0.000 0.984 992 D HN 0.101 nan 8.370 nan 0.000 0.505 993 L N 0.929 122.128 121.223 -0.039 0.000 2.022 993 L HA -0.040 4.303 4.340 0.005 0.000 0.204 993 L C 2.144 178.958 176.870 -0.093 0.000 1.076 993 L CA 1.856 56.655 54.840 -0.067 0.000 0.749 993 L CB -0.691 41.320 42.059 -0.079 0.000 0.903 993 L HN -0.164 nan 8.230 nan 0.000 0.439 994 Q N -0.478 119.264 119.800 -0.097 0.000 2.318 994 Q HA -0.327 4.016 4.340 0.005 0.000 0.216 994 Q C 2.053 177.998 176.000 -0.090 0.000 1.004 994 Q CA 2.371 58.111 55.803 -0.105 0.000 0.932 994 Q CB -0.117 28.572 28.738 -0.082 0.000 0.946 994 Q HN 0.535 nan 8.270 nan 0.000 0.419 995 E N -0.133 120.027 120.200 -0.067 0.000 2.106 995 E HA -0.116 4.236 4.350 0.005 0.000 0.192 995 E C 0.654 177.223 176.600 -0.053 0.000 0.984 995 E CA 1.372 57.742 56.400 -0.050 0.000 0.806 995 E CB -0.082 29.598 29.700 -0.034 0.000 0.750 995 E HN 0.710 nan 8.360 nan 0.000 0.458 996 N N 0.036 118.695 118.700 -0.068 0.000 2.291 996 N HA 0.088 4.831 4.740 0.005 0.000 0.244 996 N C -0.070 175.383 175.510 -0.095 0.000 1.216 996 N CA -0.070 52.945 53.050 -0.058 0.000 0.879 996 N CB 0.523 38.990 38.487 -0.033 0.000 1.167 996 N HN -0.009 nan 8.380 nan 0.000 0.515 997 L N 1.992 123.090 121.223 -0.208 0.000 2.400 997 L HA 0.242 4.584 4.340 0.005 0.000 0.262 997 L C 0.069 176.846 176.870 -0.154 0.000 1.309 997 L CA 0.173 54.731 54.840 -0.471 0.000 1.186 997 L CB -0.312 41.196 42.059 -0.918 0.000 1.375 997 L HN 0.105 nan 8.230 nan 0.000 0.433 998 L N 1.967 123.226 121.223 0.060 0.000 2.292 998 L HA 0.260 4.603 4.340 0.005 0.000 0.284 998 L C 0.828 177.830 176.870 0.221 0.000 1.065 998 L CA -0.192 54.718 54.840 0.117 0.000 0.806 998 L CB 2.106 44.203 42.059 0.063 0.000 1.175 998 L HN 0.279 nan 8.230 nan 0.000 0.431 999 V N 3.941 123.957 119.914 0.170 0.000 3.058 999 V HA 0.213 4.336 4.120 0.005 0.000 0.233 999 V C 0.349 176.494 176.094 0.085 0.000 1.255 999 V CA 0.345 62.726 62.300 0.136 0.000 1.267 999 V CB 1.026 32.944 31.823 0.158 0.000 1.049 999 V HN 0.459 nan 8.190 nan 0.000 0.486 1000 L N -0.705 120.565 121.223 0.079 0.000 2.319 1000 L HA 0.536 4.878 4.340 0.005 0.000 0.267 1000 L C 0.868 177.768 176.870 0.051 0.000 1.011 1000 L CA -0.044 54.835 54.840 0.065 0.000 0.818 1000 L CB 2.124 44.223 42.059 0.066 0.000 1.316 1000 L HN -0.072 nan 8.230 nan 0.000 0.432 1001 R N 0.085 120.611 120.500 0.045 0.000 2.435 1001 R HA 0.217 4.560 4.340 0.005 0.000 0.221 1001 R C 0.596 176.912 176.300 0.026 0.000 0.885 1001 R CA 0.035 56.154 56.100 0.033 0.000 1.018 1001 R CB 0.802 31.119 30.300 0.029 0.000 1.259 1001 R HN 0.810 nan 8.270 nan 0.000 0.597 1002 G N 1.129 109.947 108.800 0.030 0.000 2.349 1002 G HA2 -0.176 3.787 3.960 0.005 0.000 0.232 1002 G HA3 -0.176 3.787 3.960 0.005 0.000 0.232 1002 G C 0.010 174.920 174.900 0.017 0.000 1.240 1002 G CA 0.058 45.173 45.100 0.025 0.000 0.870 1002 G HN 0.168 nan 8.290 nan 0.000 0.528 1003 K N 0.530 120.937 120.400 0.013 0.000 2.476 1003 K HA 0.066 4.389 4.320 0.005 0.000 0.196 1003 K C 0.715 177.319 176.600 0.006 0.000 1.025 1003 K CA 0.061 56.353 56.287 0.008 0.000 1.138 1003 K CB 0.010 32.514 32.500 0.006 0.000 0.860 1003 K HN 0.763 nan 8.250 nan 0.000 0.515 1004 N N -1.672 117.032 118.700 0.007 0.000 2.525 1004 N HA 0.088 4.830 4.740 0.005 0.000 0.288 1004 N C 0.540 176.050 175.510 0.001 0.000 1.242 1004 N CA -0.743 52.310 53.050 0.004 0.000 0.905 1004 N CB 0.724 39.216 38.487 0.007 0.000 1.258 1004 N HN -0.264 nan 8.380 nan 0.000 0.551 1005 E N -0.362 119.836 120.200 -0.003 0.000 2.106 1005 E HA -0.023 4.330 4.350 0.005 0.000 0.192 1005 E C 1.434 178.027 176.600 -0.012 0.000 0.984 1005 E CA 1.105 57.500 56.400 -0.008 0.000 0.806 1005 E CB -0.139 29.555 29.700 -0.011 0.000 0.750 1005 E HN 0.621 nan 8.360 nan 0.000 0.458 1006 I N 0.771 121.335 120.570 -0.011 0.000 2.113 1006 I HA -0.251 3.922 4.170 0.005 0.000 0.238 1006 I C 2.178 178.289 176.117 -0.011 0.000 1.070 1006 I CA 0.955 62.243 61.300 -0.019 0.000 1.332 1006 I CB -1.188 36.801 38.000 -0.019 0.000 1.044 1006 I HN 0.172 nan 8.210 nan 0.000 0.402 1007 I N 0.851 121.424 120.570 0.005 0.000 2.127 1007 I HA -0.261 3.912 4.170 0.005 0.000 0.241 1007 I C 2.651 178.775 176.117 0.013 0.000 1.075 1007 I CA 1.470 62.780 61.300 0.018 0.000 1.334 1007 I CB -1.441 36.576 38.000 0.027 0.000 1.040 1007 I HN 0.348 nan 8.210 nan 0.000 0.405 1008 Q N 0.563 120.367 119.800 0.006 0.000 2.248 1008 Q HA -0.194 4.148 4.340 0.005 0.000 0.208 1008 Q C 1.862 177.858 176.000 -0.007 0.000 0.984 1008 Q CA 1.178 56.982 55.803 0.001 0.000 0.875 1008 Q CB -0.493 28.243 28.738 -0.004 0.000 0.910 1008 Q HN 0.571 nan 8.270 nan 0.000 0.433 1009 N N -0.038 118.654 118.700 -0.013 0.000 2.290 1009 N HA -0.014 4.729 4.740 0.005 0.000 0.179 1009 N C 1.508 177.008 175.510 -0.017 0.000 1.016 1009 N CA 1.108 54.145 53.050 -0.021 0.000 0.871 1009 N CB -0.265 38.203 38.487 -0.031 0.000 0.987 1009 N HN 0.206 nan 8.380 nan 0.000 0.431 1010 A N 0.794 123.609 122.820 -0.008 0.000 1.969 1010 A HA -0.181 4.142 4.320 0.005 0.000 0.218 1010 A C 2.208 179.806 177.584 0.024 0.000 1.169 1010 A CA 1.538 53.578 52.037 0.006 0.000 0.635 1010 A CB -0.473 18.540 19.000 0.022 0.000 0.810 1010 A HN 0.279 nan 8.150 nan 0.000 0.445 1011 Q N 0.137 119.951 119.800 0.024 0.000 2.079 1011 Q HA -0.078 4.264 4.340 0.005 0.000 0.200 1011 Q C 2.102 178.115 176.000 0.021 0.000 0.974 1011 Q CA 1.857 57.680 55.803 0.033 0.000 0.840 1011 Q CB -0.315 28.440 28.738 0.028 0.000 0.898 1011 Q HN 0.623 nan 8.270 nan 0.000 0.430 1012 R N 0.217 120.716 120.500 -0.002 0.000 2.115 1012 R HA -0.081 4.262 4.340 0.005 0.000 0.230 1012 R C 1.531 177.817 176.300 -0.025 0.000 1.111 1012 R CA 1.137 57.224 56.100 -0.021 0.000 0.976 1012 R CB -0.123 30.155 30.300 -0.038 0.000 0.870 1012 R HN 0.402 nan 8.270 nan 0.000 0.445 1013 D N 0.831 121.222 120.400 -0.015 0.000 2.096 1013 D HA -0.112 4.531 4.640 0.005 0.000 0.200 1013 D C 1.868 178.177 176.300 0.016 0.000 0.980 1013 D CA 1.649 55.642 54.000 -0.012 0.000 0.860 1013 D CB -0.654 40.141 40.800 -0.009 0.000 1.005 1013 D HN 0.099 nan 8.370 nan 0.000 0.449 1014 A N 0.228 123.071 122.820 0.038 0.000 2.054 1014 A HA -0.261 4.062 4.320 0.005 0.000 0.225 1014 A C 2.295 179.943 177.584 0.106 0.000 1.209 1014 A CA 2.132 54.210 52.037 0.067 0.000 0.678 1014 A CB -0.781 18.268 19.000 0.082 0.000 0.823 1014 A HN 0.241 nan 8.150 nan 0.000 0.484 1015 V N -1.499 118.475 119.914 0.100 0.000 3.660 1015 V HA -0.056 4.067 4.120 0.005 0.000 0.276 1015 V C 2.261 178.422 176.094 0.113 0.000 1.317 1015 V CA 1.369 63.759 62.300 0.150 0.000 1.097 1015 V CB -0.250 31.632 31.823 0.098 0.000 0.863 1015 V HN 0.644 nan 8.190 nan 0.000 0.438 1016 T N 0.992 115.566 114.554 0.034 0.000 2.597 1016 T HA -0.251 4.102 4.350 0.005 0.000 0.267 1016 T C 1.892 176.601 174.700 0.014 0.000 1.053 1016 T CA 1.864 63.936 62.100 -0.047 0.000 1.165 1016 T CB -0.270 68.527 68.868 -0.119 0.000 0.863 1016 T HN 0.246 nan 8.240 nan 0.000 0.427 1017 L N -0.108 121.181 121.223 0.109 0.000 2.093 1017 L HA -0.013 4.330 4.340 0.005 0.000 0.208 1017 L C 2.285 179.272 176.870 0.194 0.000 1.085 1017 L CA 1.663 56.605 54.840 0.170 0.000 0.755 1017 L CB -0.641 41.524 42.059 0.177 0.000 0.904 1017 L HN 0.245 nan 8.230 nan 0.000 0.435 1018 F N 0.489 120.489 119.950 0.084 0.000 2.102 1018 F HA -0.237 4.293 4.527 0.005 0.000 0.298 1018 F C 2.626 178.455 175.800 0.048 0.000 1.105 1018 F CA 1.641 59.700 58.000 0.098 0.000 1.239 1018 F CB -0.766 38.339 39.000 0.175 0.000 0.991 1018 F HN 0.139 nan 8.300 nan 0.000 0.474 1019 C N -0.278 118.936 119.300 -0.145 0.000 2.413 1019 C HA -0.244 4.219 4.460 0.005 0.000 0.276 1019 C C 3.091 177.962 174.990 -0.199 0.000 1.236 1019 C CA 1.088 59.953 59.018 -0.255 0.000 1.735 1019 C CB -1.840 25.814 27.740 -0.142 0.000 2.031 1019 C HN 0.716 nan 8.230 nan 0.000 0.474 1020 C N 0.277 119.516 119.300 -0.101 0.000 2.385 1020 C HA -0.202 4.261 4.460 0.005 0.000 0.275 1020 C C 2.573 177.534 174.990 -0.050 0.000 1.199 1020 C CA 1.831 60.819 59.018 -0.049 0.000 1.782 1020 C CB -1.629 26.138 27.740 0.045 0.000 2.068 1020 C HN 0.712 nan 8.230 nan 0.000 0.471 1021 L N 0.136 121.312 121.223 -0.078 0.000 2.007 1021 L HA -0.018 4.325 4.340 0.005 0.000 0.205 1021 L C 2.296 179.080 176.870 -0.143 0.000 1.073 1021 L CA 1.698 56.496 54.840 -0.070 0.000 0.744 1021 L CB -1.003 41.034 42.059 -0.037 0.000 0.898 1021 L HN 0.252 nan 8.230 nan 0.000 0.435 1022 L N 0.399 121.403 121.223 -0.366 0.000 1.963 1022 L HA -0.291 4.051 4.340 0.005 0.000 0.220 1022 L C 2.703 179.496 176.870 -0.127 0.000 1.076 1022 L CA 2.105 56.748 54.840 -0.328 0.000 0.772 1022 L CB -1.022 40.712 42.059 -0.540 0.000 0.892 1022 L HN 0.333 nan 8.230 nan 0.000 0.435 1023 R N -0.700 119.726 120.500 -0.123 0.000 2.185 1023 R HA -0.172 4.170 4.340 0.005 0.000 0.247 1023 R C 2.333 178.638 176.300 0.008 0.000 1.159 1023 R CA 1.579 57.649 56.100 -0.050 0.000 0.988 1023 R CB -0.366 29.891 30.300 -0.072 0.000 0.871 1023 R HN 0.774 nan 8.270 nan 0.000 0.458 1024 S N -0.767 114.944 115.700 0.018 0.000 2.458 1024 S HA 0.030 4.503 4.470 0.005 0.000 0.223 1024 S C 1.839 176.599 174.600 0.266 0.000 1.019 1024 S CA 0.140 58.398 58.200 0.097 0.000 0.937 1024 S CB 0.193 63.430 63.200 0.062 0.000 0.788 1024 S HN 0.113 nan 8.310 nan 0.000 0.511 1025 R N 0.948 121.555 120.500 0.179 0.000 2.080 1025 R HA 0.396 4.739 4.340 0.005 0.000 0.222 1025 R C 1.245 177.710 176.300 0.275 0.000 1.107 1025 R CA 0.776 57.019 56.100 0.238 0.000 0.980 1025 R CB -0.361 30.047 30.300 0.180 0.000 0.879 1025 R HN 0.371 nan 8.270 nan 0.000 0.439 1026 L N 0.944 122.285 121.223 0.197 0.000 2.888 1026 L HA 0.377 4.720 4.340 0.005 0.000 0.237 1026 L C -0.104 176.881 176.870 0.192 0.000 1.288 1026 L CA -0.582 54.396 54.840 0.230 0.000 1.110 1026 L CB -0.104 42.063 42.059 0.180 0.000 1.441 1026 L HN 0.085 nan 8.230 nan 0.000 0.474 1027 A N -0.555 122.373 122.820 0.179 0.000 2.310 1027 A HA 0.433 4.756 4.320 0.005 0.000 0.299 1027 A C 1.294 178.922 177.584 0.072 0.000 1.147 1027 A CA -0.311 51.821 52.037 0.158 0.000 0.818 1027 A CB 0.803 19.980 19.000 0.295 0.000 1.096 1027 A HN 0.283 nan 8.150 nan 0.000 0.495 1028 T N 1.481 116.058 114.554 0.039 0.000 2.607 1028 T HA -0.175 4.178 4.350 0.005 0.000 0.267 1028 T C 2.184 176.835 174.700 -0.082 0.000 1.049 1028 T CA 1.616 63.697 62.100 -0.032 0.000 1.162 1028 T CB -0.242 68.606 68.868 -0.033 0.000 0.863 1028 T HN 0.615 nan 8.240 nan 0.000 0.424 1029 R N 0.899 121.352 120.500 -0.079 0.000 2.140 1029 R HA -0.103 4.240 4.340 0.005 0.000 0.250 1029 R C 2.520 178.692 176.300 -0.213 0.000 1.150 1029 R CA 1.726 57.744 56.100 -0.136 0.000 0.966 1029 R CB -0.487 29.725 30.300 -0.147 0.000 0.869 1029 R HN 0.384 nan 8.270 nan 0.000 0.445 1030 R N -0.510 119.835 120.500 -0.259 0.000 2.052 1030 R HA -0.044 4.299 4.340 0.005 0.000 0.226 1030 R C 2.361 178.341 176.300 -0.534 0.000 1.145 1030 R CA 1.271 57.124 56.100 -0.412 0.000 0.952 1030 R CB -0.269 29.796 30.300 -0.391 0.000 0.847 1030 R HN 0.020 nan 8.270 nan 0.000 0.431 1031 V N 1.823 121.556 119.914 -0.303 0.000 2.250 1031 V HA -0.337 3.785 4.120 0.005 0.000 0.253 1031 V C 2.335 178.338 176.094 -0.151 0.000 1.065 1031 V CA 2.069 64.294 62.300 -0.125 0.000 1.039 1031 V CB -0.498 31.367 31.823 0.069 0.000 0.647 1031 V HN 0.359 nan 8.190 nan 0.000 0.446 1032 L N -1.318 119.810 121.223 -0.158 0.000 2.156 1032 L HA -0.121 4.222 4.340 0.005 0.000 0.208 1032 L C 2.547 179.330 176.870 -0.146 0.000 1.095 1032 L CA 1.399 56.159 54.840 -0.133 0.000 0.770 1032 L CB -0.413 41.572 42.059 -0.123 0.000 0.914 1032 L HN 0.381 nan 8.230 nan 0.000 0.439 1033 Q N -0.428 119.254 119.800 -0.196 0.000 2.274 1033 Q HA -0.090 4.253 4.340 0.005 0.000 0.198 1033 Q C 1.975 177.877 176.000 -0.163 0.000 0.955 1033 Q CA 0.641 56.345 55.803 -0.164 0.000 0.859 1033 Q CB 0.505 29.146 28.738 -0.161 0.000 0.956 1033 Q HN 0.393 nan 8.270 nan 0.000 0.516 1034 E N -0.174 119.858 120.200 -0.280 0.000 2.028 1034 E HA -0.142 4.211 4.350 0.005 0.000 0.191 1034 E C -0.186 176.383 176.600 -0.052 0.000 0.988 1034 E CA 1.173 57.443 56.400 -0.216 0.000 0.799 1034 E CB 0.217 29.700 29.700 -0.362 0.000 0.755 1034 E HN 0.296 nan 8.360 nan 0.000 0.447 1035 Y N -1.656 118.641 120.300 -0.005 0.000 2.562 1035 Y HA 0.455 5.007 4.550 0.005 0.000 0.363 1035 Y C -0.723 175.118 175.900 -0.099 0.000 0.991 1035 Y CA -0.958 57.128 58.100 -0.023 0.000 1.121 1035 Y CB -0.361 38.120 38.460 0.036 0.000 1.159 1035 Y HN -0.274 nan 8.280 nan 0.000 0.651 1036 R N 2.436 122.886 120.500 -0.084 0.000 3.717 1036 R HA -0.101 4.242 4.340 0.005 0.000 0.139 1036 R C -0.172 176.091 176.300 -0.063 0.000 0.515 1036 R CA 0.434 56.461 56.100 -0.121 0.000 0.747 1036 R CB -0.598 29.570 30.300 -0.220 0.000 1.364 1036 R HN 0.684 nan 8.270 nan 0.000 0.466 1037 L N 0.736 121.990 121.223 0.052 0.000 2.483 1037 L HA 0.020 4.362 4.340 0.005 0.000 0.276 1037 L C 1.472 178.338 176.870 -0.007 0.000 1.213 1037 L CA 0.406 55.285 54.840 0.066 0.000 0.843 1037 L CB 0.418 42.605 42.059 0.214 0.000 1.107 1037 L HN 0.355 nan 8.230 nan 0.000 0.487 1038 T N -1.332 113.198 114.554 -0.040 0.000 2.927 1038 T HA 0.206 4.559 4.350 0.005 0.000 0.281 1038 T C 0.763 175.433 174.700 -0.050 0.000 0.998 1038 T CA -0.822 61.238 62.100 -0.067 0.000 1.019 1038 T CB 1.916 70.726 68.868 -0.096 0.000 1.061 1038 T HN 0.601 nan 8.240 nan 0.000 0.518 1039 K N 0.645 121.014 120.400 -0.053 0.000 2.044 1039 K HA -0.233 4.090 4.320 0.005 0.000 0.210 1039 K C 2.316 178.919 176.600 0.005 0.000 1.049 1039 K CA 2.257 58.535 56.287 -0.014 0.000 0.927 1039 K CB -0.680 31.804 32.500 -0.028 0.000 0.713 1039 K HN 0.791 nan 8.250 nan 0.000 0.443 1040 Q N -0.473 119.275 119.800 -0.086 0.000 2.124 1040 Q HA -0.154 4.188 4.340 0.005 0.000 0.202 1040 Q C 1.864 177.648 176.000 -0.360 0.000 0.977 1040 Q CA 1.691 57.405 55.803 -0.148 0.000 0.850 1040 Q CB -0.271 28.383 28.738 -0.140 0.000 0.901 1040 Q HN 0.436 nan 8.270 nan 0.000 0.429 1041 A N 0.532 122.992 122.820 -0.601 0.000 1.855 1041 A HA -0.160 4.162 4.320 0.005 0.000 0.215 1041 A C 1.851 179.389 177.584 -0.077 0.000 1.191 1041 A CA 1.116 52.683 52.037 -0.783 0.000 0.613 1041 A CB -1.125 17.482 19.000 -0.654 0.000 0.829 1041 A HN 0.587 nan 8.150 nan 0.000 0.442 1042 F N 1.657 121.550 119.950 -0.096 0.000 2.085 1042 F HA -0.306 4.224 4.527 0.005 0.000 0.299 1042 F C 1.699 177.532 175.800 0.055 0.000 1.096 1042 F CA 2.475 60.483 58.000 0.014 0.000 1.227 1042 F CB -0.188 38.810 39.000 -0.003 0.000 0.983 1042 F HN 0.293 nan 8.300 nan 0.000 0.482 1043 D N -1.276 119.201 120.400 0.129 0.000 2.219 1043 D HA -0.212 4.430 4.640 0.005 0.000 0.205 1043 D C 1.781 178.125 176.300 0.073 0.000 0.970 1043 D CA 1.159 55.202 54.000 0.071 0.000 0.851 1043 D CB -0.746 40.126 40.800 0.121 0.000 0.943 1043 D HN 0.553 nan 8.370 nan 0.000 0.488 1044 W N 1.457 122.720 121.300 -0.062 0.000 2.408 1044 W HA -0.158 4.505 4.660 0.005 0.000 0.311 1044 W C 2.148 178.641 176.519 -0.043 0.000 1.190 1044 W CA 0.919 58.274 57.345 0.018 0.000 1.321 1044 W CB -0.445 29.121 29.460 0.176 0.000 1.143 1044 W HN -0.273 nan 8.180 nan 0.000 0.501 1045 V N 1.206 121.201 119.914 0.135 0.000 2.453 1045 V HA -0.331 3.791 4.120 0.005 0.000 0.252 1045 V C 2.164 178.101 176.094 -0.262 0.000 1.068 1045 V CA 1.738 63.989 62.300 -0.081 0.000 1.070 1045 V CB -1.016 30.770 31.823 -0.061 0.000 0.664 1045 V HN 0.168 nan 8.190 nan 0.000 0.461 1046 L N -0.747 120.274 121.223 -0.337 0.000 2.023 1046 L HA -0.065 4.278 4.340 0.005 0.000 0.205 1046 L C 2.673 179.422 176.870 -0.202 0.000 1.073 1046 L CA 2.044 56.712 54.840 -0.286 0.000 0.745 1046 L CB -1.061 40.825 42.059 -0.289 0.000 0.900 1046 L HN 0.246 nan 8.230 nan 0.000 0.435 1047 S N -0.651 114.936 115.700 -0.188 0.000 2.365 1047 S HA -0.225 4.248 4.470 0.005 0.000 0.225 1047 S C 1.950 176.415 174.600 -0.226 0.000 1.039 1047 S CA 1.418 59.520 58.200 -0.164 0.000 1.033 1047 S CB -0.327 62.802 63.200 -0.118 0.000 0.887 1047 S HN 0.443 nan 8.310 nan 0.000 0.447 1048 N N 0.822 119.285 118.700 -0.394 0.000 2.002 1048 N HA -0.139 4.603 4.740 0.005 0.000 0.199 1048 N C 1.830 177.220 175.510 -0.200 0.000 1.060 1048 N CA 1.953 54.758 53.050 -0.409 0.000 0.867 1048 N CB -0.592 37.509 38.487 -0.643 0.000 1.069 1048 N HN 0.374 nan 8.380 nan 0.000 0.430 1049 I N 1.535 122.015 120.570 -0.151 0.000 2.143 1049 I HA -0.349 3.824 4.170 0.005 0.000 0.245 1049 I C 2.609 178.752 176.117 0.043 0.000 1.068 1049 I CA 1.694 62.988 61.300 -0.011 0.000 1.326 1049 I CB -0.324 37.681 38.000 0.008 0.000 1.028 1049 I HN 0.410 nan 8.210 nan 0.000 0.412 1050 E N 1.046 121.235 120.200 -0.018 0.000 2.110 1050 E HA -0.238 4.114 4.350 0.005 0.000 0.193 1050 E C 2.132 178.758 176.600 0.043 0.000 0.988 1050 E CA 1.388 57.791 56.400 0.004 0.000 0.804 1050 E CB -0.118 29.558 29.700 -0.041 0.000 0.745 1050 E HN 0.503 nan 8.360 nan 0.000 0.458 1051 A N 0.933 123.742 122.820 -0.018 0.000 1.854 1051 A HA -0.175 4.147 4.320 0.005 0.000 0.214 1051 A C 2.208 179.775 177.584 -0.028 0.000 1.192 1051 A CA 1.505 53.524 52.037 -0.031 0.000 0.611 1051 A CB -0.586 18.371 19.000 -0.072 0.000 0.832 1051 A HN 0.342 nan 8.150 nan 0.000 0.442 1052 Q N -1.830 117.947 119.800 -0.039 0.000 2.170 1052 Q HA -0.164 4.179 4.340 0.005 0.000 0.203 1052 Q C 1.831 177.790 176.000 -0.068 0.000 0.976 1052 Q CA 1.523 57.290 55.803 -0.059 0.000 0.858 1052 Q CB -0.247 28.463 28.738 -0.046 0.000 0.907 1052 Q HN 0.748 nan 8.270 nan 0.000 0.433 1053 F N 1.115 120.978 119.950 -0.146 0.000 2.009 1053 F HA -0.232 4.298 4.527 0.005 0.000 0.293 1053 F C 2.021 177.716 175.800 -0.175 0.000 1.156 1053 F CA 1.279 59.161 58.000 -0.197 0.000 1.168 1053 F CB -0.488 38.413 39.000 -0.165 0.000 0.981 1053 F HN -0.070 nan 8.300 nan 0.000 0.475 1054 L N 0.403 121.711 121.223 0.142 0.000 2.082 1054 L HA -0.399 3.944 4.340 0.005 0.000 0.223 1054 L C 2.695 179.461 176.870 -0.174 0.000 1.086 1054 L CA 1.971 56.804 54.840 -0.012 0.000 0.793 1054 L CB -0.763 41.324 42.059 0.046 0.000 0.896 1054 L HN 0.231 nan 8.230 nan 0.000 0.441 1055 R N -0.822 119.570 120.500 -0.180 0.000 2.139 1055 R HA -0.146 4.197 4.340 0.005 0.000 0.243 1055 R C 2.180 178.213 176.300 -0.446 0.000 1.145 1055 R CA 1.614 57.560 56.100 -0.255 0.000 0.976 1055 R CB -0.193 29.958 30.300 -0.249 0.000 0.866 1055 R HN 0.302 nan 8.270 nan 0.000 0.449 1056 S N -0.083 115.327 115.700 -0.483 0.000 2.603 1056 S HA 0.062 4.535 4.470 0.005 0.000 0.220 1056 S C 0.434 174.853 174.600 -0.301 0.000 0.967 1056 S CA -0.118 57.808 58.200 -0.457 0.000 0.920 1056 S CB 0.374 63.321 63.200 -0.421 0.000 0.773 1056 S HN -0.027 nan 8.310 nan 0.000 0.529 1057 V N 1.959 121.667 119.914 -0.344 0.000 2.811 1057 V HA 0.139 4.262 4.120 0.005 0.000 0.302 1057 V C 0.720 176.732 176.094 -0.136 0.000 1.063 1057 V CA -0.355 61.798 62.300 -0.244 0.000 1.088 1057 V CB 1.168 32.853 31.823 -0.230 0.000 0.982 1057 V HN 0.125 nan 8.190 nan 0.000 0.485 1058 V N 4.487 124.386 119.914 -0.024 0.000 2.811 1058 V HA 0.167 4.290 4.120 0.005 0.000 0.302 1058 V C 0.254 176.311 176.094 -0.061 0.000 1.063 1058 V CA -0.242 62.088 62.300 0.049 0.000 1.088 1058 V CB 0.787 32.684 31.823 0.123 0.000 0.982 1058 V HN 0.824 nan 8.190 nan 0.000 0.485 1059 H N 5.874 124.923 119.070 -0.035 0.000 2.552 1059 H HA 0.325 4.884 4.556 0.005 0.000 0.311 1059 H C -2.307 172.946 175.328 -0.125 0.000 1.071 1059 H CA -1.694 54.327 56.048 -0.046 0.000 1.307 1059 H CB 1.560 31.308 29.762 -0.024 0.000 1.416 1059 H HN 0.521 nan 8.280 nan 0.000 0.464 1060 P HA 0.037 nan 4.420 nan 0.000 0.267 1060 P C 0.942 178.005 177.300 -0.395 0.000 1.205 1060 P CA 0.827 63.712 63.100 -0.359 0.000 0.765 1060 P CB 0.833 32.127 31.700 -0.676 0.000 0.828 1061 G N 2.000 110.587 108.800 -0.356 0.000 2.541 1061 G HA2 -0.170 3.793 3.960 0.005 0.000 0.201 1061 G HA3 -0.170 3.793 3.960 0.005 0.000 0.201 1061 G C 0.028 174.825 174.900 -0.172 0.000 1.026 1061 G CA -0.537 44.430 45.100 -0.221 0.000 0.687 1061 G HN 0.494 nan 8.290 nan 0.000 0.492 1062 E N 2.599 122.704 120.200 -0.158 0.000 2.734 1062 E HA 0.050 4.403 4.350 0.005 0.000 0.235 1062 E C 0.738 177.227 176.600 -0.186 0.000 1.107 1062 E CA 0.408 56.712 56.400 -0.161 0.000 0.951 1062 E CB 0.025 29.603 29.700 -0.203 0.000 0.955 1062 E HN 0.303 nan 8.360 nan 0.000 0.515 1063 M N 4.161 123.676 119.600 -0.143 0.000 2.922 1063 M HA -0.037 4.446 4.480 0.005 0.000 0.294 1063 M C 1.218 177.443 176.300 -0.126 0.000 1.556 1063 M CA 0.125 55.349 55.300 -0.128 0.000 1.568 1063 M CB -0.408 32.131 32.600 -0.101 0.000 1.462 1063 M HN 0.186 nan 8.290 nan 0.000 0.489 1064 V N 2.839 122.656 119.914 -0.162 0.000 3.129 1064 V HA -0.019 4.104 4.120 0.005 0.000 0.259 1064 V C 1.940 178.014 176.094 -0.032 0.000 1.116 1064 V CA 1.816 64.019 62.300 -0.162 0.000 1.127 1064 V CB -0.095 31.472 31.823 -0.427 0.000 0.742 1064 V HN 0.909 nan 8.190 nan 0.000 0.474 1065 G N -0.159 108.610 108.800 -0.051 0.000 2.556 1065 G HA2 -0.185 3.778 3.960 0.005 0.000 0.215 1065 G HA3 -0.185 3.778 3.960 0.005 0.000 0.215 1065 G C 1.626 176.490 174.900 -0.061 0.000 1.258 1065 G CA 1.160 46.234 45.100 -0.043 0.000 0.811 1065 G HN 0.285 nan 8.290 nan 0.000 0.557 1066 V N 1.163 121.031 119.914 -0.076 0.000 2.277 1066 V HA -0.231 3.892 4.120 0.005 0.000 0.253 1066 V C 2.780 178.822 176.094 -0.086 0.000 1.067 1066 V CA 1.951 64.201 62.300 -0.082 0.000 1.047 1066 V CB -0.710 31.068 31.823 -0.075 0.000 0.649 1066 V HN 0.339 nan 8.190 nan 0.000 0.447 1067 L N 0.470 121.644 121.223 -0.081 0.000 2.263 1067 L HA -0.154 4.189 4.340 0.005 0.000 0.216 1067 L C 2.209 178.965 176.870 -0.190 0.000 1.111 1067 L CA 2.371 57.146 54.840 -0.109 0.000 0.773 1067 L CB -1.053 40.967 42.059 -0.065 0.000 0.906 1067 L HN 0.283 nan 8.230 nan 0.000 0.439 1068 A N -1.153 121.610 122.820 -0.095 0.000 1.911 1068 A HA 0.229 4.552 4.320 0.005 0.000 0.212 1068 A C 2.432 179.946 177.584 -0.117 0.000 1.189 1068 A CA 0.988 52.974 52.037 -0.085 0.000 0.639 1068 A CB -0.913 18.132 19.000 0.076 0.000 0.839 1068 A HN 0.468 nan 8.150 nan 0.000 0.449 1069 A N -0.113 122.644 122.820 -0.105 0.000 1.892 1069 A HA -0.272 4.051 4.320 0.005 0.000 0.218 1069 A C 2.125 179.642 177.584 -0.110 0.000 1.188 1069 A CA 1.886 53.854 52.037 -0.114 0.000 0.631 1069 A CB -0.672 18.252 19.000 -0.127 0.000 0.822 1069 A HN 0.645 nan 8.150 nan 0.000 0.447 1070 Q N -0.763 118.970 119.800 -0.111 0.000 2.119 1070 Q HA -0.078 4.265 4.340 0.005 0.000 0.201 1070 Q C 2.348 178.290 176.000 -0.097 0.000 0.972 1070 Q CA 1.533 57.283 55.803 -0.088 0.000 0.847 1070 Q CB -0.158 28.544 28.738 -0.060 0.000 0.903 1070 Q HN 0.618 nan 8.270 nan 0.000 0.433 1071 S N 0.379 115.970 115.700 -0.181 0.000 2.453 1071 S HA -0.007 4.466 4.470 0.005 0.000 0.231 1071 S C 1.822 176.344 174.600 -0.131 0.000 1.005 1071 S CA 0.684 58.750 58.200 -0.224 0.000 0.949 1071 S CB 0.045 62.886 63.200 -0.599 0.000 0.774 1071 S HN 0.274 nan 8.310 nan 0.000 0.510 1072 I N 0.648 121.154 120.570 -0.108 0.000 2.429 1072 I HA 0.063 4.236 4.170 0.005 0.000 0.247 1072 I C 2.685 178.761 176.117 -0.069 0.000 1.099 1072 I CA 0.710 61.966 61.300 -0.074 0.000 1.422 1072 I CB -0.944 37.014 38.000 -0.070 0.000 1.112 1072 I HN 0.300 nan 8.210 nan 0.000 0.430 1073 G N 0.914 109.669 108.800 -0.076 0.000 2.545 1073 G HA2 -0.321 3.642 3.960 0.005 0.000 0.217 1073 G HA3 -0.321 3.642 3.960 0.005 0.000 0.217 1073 G C 1.528 176.391 174.900 -0.063 0.000 1.218 1073 G CA 0.958 46.017 45.100 -0.068 0.000 0.787 1073 G HN 0.340 nan 8.290 nan 0.000 0.571 1074 E N 1.010 121.169 120.200 -0.068 0.000 2.065 1074 E HA -0.161 4.192 4.350 0.005 0.000 0.201 1074 E C 0.263 176.837 176.600 -0.044 0.000 1.016 1074 E CA 1.977 58.330 56.400 -0.078 0.000 0.818 1074 E CB -0.850 28.814 29.700 -0.060 0.000 0.749 1074 E HN 0.383 nan 8.360 nan 0.000 0.453 1075 P HA -0.012 nan 4.420 nan 0.000 0.225 1075 P C 1.082 178.367 177.300 -0.025 0.000 1.156 1075 P CA 1.374 64.465 63.100 -0.016 0.000 0.787 1075 P CB -0.132 31.559 31.700 -0.014 0.000 0.802 1076 A N 0.306 123.107 122.820 -0.033 0.000 2.084 1076 A HA -0.148 4.175 4.320 0.005 0.000 0.221 1076 A C 2.044 179.614 177.584 -0.022 0.000 1.161 1076 A CA 2.176 54.195 52.037 -0.029 0.000 0.653 1076 A CB -1.739 17.241 19.000 -0.033 0.000 0.802 1076 A HN 0.254 nan 8.150 nan 0.000 0.457 1077 T N -0.420 114.117 114.554 -0.028 0.000 3.067 1077 T HA -0.002 4.351 4.350 0.005 0.000 0.257 1077 T C 1.123 175.811 174.700 -0.019 0.000 1.105 1077 T CA 0.758 62.843 62.100 -0.026 0.000 1.104 1077 T CB 0.025 68.869 68.868 -0.041 0.000 0.925 1077 T HN 0.469 nan 8.240 nan 0.000 0.498 1078 Q N 0.720 120.511 119.800 -0.015 0.000 2.225 1078 Q HA 0.354 4.697 4.340 0.005 0.000 0.222 1078 Q C -0.142 175.855 176.000 -0.004 0.000 0.887 1078 Q CA 0.089 55.888 55.803 -0.007 0.000 0.958 1078 Q CB -0.357 28.380 28.738 -0.000 0.000 1.058 1078 Q HN 0.550 nan 8.270 nan 0.000 0.459 1079 M N 0.954 120.550 119.600 -0.006 0.000 2.149 1079 M HA 0.401 4.884 4.480 0.005 0.000 0.342 1079 M C -0.647 175.653 176.300 0.001 0.000 1.068 1079 M CA 0.151 55.449 55.300 -0.004 0.000 0.991 1079 M CB 1.766 34.361 32.600 -0.008 0.000 1.596 1079 M HN -0.109 nan 8.290 nan 0.000 0.439 1080 T N 2.147 116.703 114.554 0.004 0.000 2.893 1080 T HA 0.397 4.749 4.350 0.005 0.000 0.337 1080 T C -0.888 173.819 174.700 0.011 0.000 1.587 1080 T CA -0.837 61.268 62.100 0.008 0.000 1.066 1080 T CB 1.608 70.481 68.868 0.008 0.000 1.414 1080 T HN 0.552 nan 8.240 nan 0.000 0.488 1093 K N 0.212 120.635 120.400 0.038 0.000 1.995 1093 K HA 0.075 4.398 4.320 0.005 0.000 0.217 1093 K C 0.928 177.554 176.600 0.043 0.000 1.030 1093 K CA 1.127 57.441 56.287 0.046 0.000 0.971 1093 K CB -0.097 32.441 32.500 0.062 0.000 0.775 1093 K HN 0.447 nan 8.250 nan 0.000 0.446 1094 V N 0.545 120.489 119.914 0.050 0.000 2.785 1094 V HA 0.261 4.384 4.120 0.005 0.000 0.300 1094 V C -0.147 175.974 176.094 0.045 0.000 1.062 1094 V CA -1.048 61.284 62.300 0.054 0.000 1.029 1094 V CB 0.952 32.818 31.823 0.072 0.000 1.024 1094 V HN 0.556 nan 8.190 nan 0.000 0.477 1095 T N 2.195 116.776 114.554 0.046 0.000 2.831 1095 T HA 0.401 4.754 4.350 0.005 0.000 0.291 1095 T C 0.375 175.101 174.700 0.043 0.000 0.981 1095 T CA 0.255 62.380 62.100 0.042 0.000 1.174 1095 T CB -0.273 68.621 68.868 0.044 0.000 0.929 1095 T HN 1.506 nan 8.240 nan 0.000 0.532 1096 S N 2.006 117.725 115.700 0.033 0.000 2.740 1096 S HA 0.941 5.413 4.470 0.005 0.000 0.300 1096 S C 0.554 175.166 174.600 0.018 0.000 1.147 1096 S CA -0.277 57.939 58.200 0.026 0.000 0.871 1096 S CB 1.461 64.672 63.200 0.019 0.000 1.173 1096 S HN 2.024 nan 8.310 nan 0.000 0.510 1097 G N 0.133 108.938 108.800 0.008 0.000 2.553 1097 G HA2 -0.215 3.747 3.960 0.005 0.000 0.242 1097 G HA3 -0.215 3.747 3.960 0.005 0.000 0.242 1097 G C 0.624 175.529 174.900 0.007 0.000 1.277 1097 G CA -0.021 45.081 45.100 0.004 0.000 0.910 1097 G HN 1.514 nan 8.290 nan 0.000 0.576 1098 V N 3.466 123.385 119.914 0.009 0.000 2.332 1098 V HA -0.116 4.007 4.120 0.005 0.000 0.248 1098 V C 0.829 176.937 176.094 0.025 0.000 1.055 1098 V CA 3.270 65.579 62.300 0.014 0.000 1.038 1098 V CB -1.241 30.591 31.823 0.016 0.000 0.651 1098 V HN 0.718 nan 8.190 nan 0.000 0.450 1099 P HA -0.195 nan 4.420 nan 0.000 0.217 1099 P C 1.555 178.881 177.300 0.043 0.000 1.150 1099 P CA 1.380 64.502 63.100 0.036 0.000 0.832 1099 P CB -0.103 31.616 31.700 0.032 0.000 0.787 1100 R N 0.488 121.012 120.500 0.040 0.000 2.080 1100 R HA -0.104 4.239 4.340 0.005 0.000 0.236 1100 R C 2.350 178.680 176.300 0.050 0.000 1.137 1100 R CA 1.340 57.470 56.100 0.050 0.000 0.943 1100 R CB -1.905 28.422 30.300 0.044 0.000 0.846 1100 R HN 0.137 nan 8.270 nan 0.000 0.431 1101 L N 0.780 122.020 121.223 0.029 0.000 2.265 1101 L HA -0.063 4.279 4.340 0.005 0.000 0.215 1101 L C 2.234 179.122 176.870 0.030 0.000 1.117 1101 L CA 1.616 56.466 54.840 0.017 0.000 0.782 1101 L CB -0.278 41.778 42.059 -0.005 0.000 0.914 1101 L HN 0.186 nan 8.230 nan 0.000 0.441 1102 K N -0.642 119.784 120.400 0.043 0.000 2.062 1102 K HA -0.176 4.147 4.320 0.005 0.000 0.205 1102 K C 1.973 178.616 176.600 0.072 0.000 1.051 1102 K CA 1.365 57.684 56.287 0.054 0.000 0.941 1102 K CB 0.031 32.570 32.500 0.064 0.000 0.719 1102 K HN 0.371 nan 8.250 nan 0.000 0.440 1103 E N 0.560 120.809 120.200 0.081 0.000 2.031 1103 E HA -0.195 4.158 4.350 0.005 0.000 0.193 1103 E C 2.024 178.721 176.600 0.162 0.000 0.994 1103 E CA 1.470 57.934 56.400 0.106 0.000 0.800 1103 E CB -0.052 29.709 29.700 0.101 0.000 0.752 1103 E HN 0.270 nan 8.360 nan 0.000 0.447 1104 I N 0.525 121.193 120.570 0.164 0.000 2.099 1104 I HA -0.310 3.863 4.170 0.005 0.000 0.239 1104 I C 2.160 178.382 176.117 0.174 0.000 1.066 1104 I CA 1.017 62.442 61.300 0.208 0.000 1.324 1104 I CB -0.205 37.824 38.000 0.050 0.000 1.037 1104 I HN 0.133 nan 8.210 nan 0.000 0.401 1105 L N 0.523 121.796 121.223 0.083 0.000 2.265 1105 L HA -0.154 4.189 4.340 0.005 0.000 0.215 1105 L C 1.760 178.691 176.870 0.103 0.000 1.117 1105 L CA 1.385 56.263 54.840 0.064 0.000 0.782 1105 L CB -0.851 41.211 42.059 0.005 0.000 0.914 1105 L HN 0.253 nan 8.230 nan 0.000 0.441 1106 N N -0.645 118.126 118.700 0.119 0.000 2.398 1106 N HA 0.025 4.768 4.740 0.005 0.000 0.188 1106 N C 0.252 175.848 175.510 0.143 0.000 1.122 1106 N CA 0.127 53.253 53.050 0.126 0.000 0.866 1106 N CB 0.263 38.816 38.487 0.111 0.000 0.970 1106 N HN -0.041 nan 8.380 nan 0.000 0.462 1107 V N 0.772 120.797 119.914 0.185 0.000 5.746 1107 V HA -0.292 3.831 4.120 0.005 0.000 0.220 1107 V C 0.638 176.765 176.094 0.055 0.000 0.688 1107 V CA 0.449 62.843 62.300 0.158 0.000 0.550 1107 V CB -2.571 29.341 31.823 0.149 0.000 0.219 1107 V HN 0.378 nan 8.190 nan 0.000 0.512 1108 A N 2.897 125.749 122.820 0.054 0.000 2.454 1108 A HA 0.414 4.736 4.320 0.005 0.000 0.260 1108 A C 1.311 178.874 177.584 -0.035 0.000 1.106 1108 A CA -0.106 51.947 52.037 0.025 0.000 0.780 1108 A CB 0.344 19.371 19.000 0.046 0.000 1.044 1108 A HN 0.566 nan 8.150 nan 0.000 0.498 1109 K N 1.431 121.815 120.400 -0.028 0.000 2.243 1109 K HA -0.033 4.290 4.320 0.005 0.000 0.201 1109 K C -0.020 176.550 176.600 -0.050 0.000 1.051 1109 K CA 1.068 57.324 56.287 -0.051 0.000 0.970 1109 K CB 0.040 32.522 32.500 -0.032 0.000 0.755 1109 K HN 0.934 nan 8.250 nan 0.000 0.465 1110 N N 1.391 120.074 118.700 -0.029 0.000 2.790 1110 N HA 0.235 4.977 4.740 0.005 0.000 0.256 1110 N C -0.368 175.136 175.510 -0.011 0.000 1.409 1110 N CA -0.303 52.733 53.050 -0.022 0.000 0.799 1110 N CB 0.600 39.080 38.487 -0.012 0.000 1.170 1110 N HN -0.080 nan 8.380 nan 0.000 0.507 1111 M N -0.378 119.211 119.600 -0.017 0.000 2.226 1111 M HA 0.260 4.743 4.480 0.005 0.000 0.324 1111 M C 0.889 177.195 176.300 0.009 0.000 1.112 1111 M CA -0.198 55.105 55.300 0.003 0.000 1.176 1111 M CB 0.923 33.525 32.600 0.003 0.000 1.430 1111 M HN 0.055 nan 8.290 nan 0.000 0.462 1112 K N -0.362 120.051 120.400 0.021 0.000 2.305 1112 K HA 0.091 4.413 4.320 0.005 0.000 0.199 1112 K C -0.158 176.455 176.600 0.020 0.000 1.047 1112 K CA 0.759 57.057 56.287 0.020 0.000 0.976 1112 K CB 0.361 32.876 32.500 0.024 0.000 0.765 1112 K HN 0.777 nan 8.250 nan 0.000 0.474 1113 T N 2.387 116.956 114.554 0.026 0.000 3.418 1113 T HA 0.260 4.613 4.350 0.005 0.000 0.315 1113 T C -2.811 171.905 174.700 0.026 0.000 1.447 1113 T CA -1.500 60.618 62.100 0.029 0.000 1.641 1113 T CB 1.372 70.264 68.868 0.040 0.000 0.904 1113 T HN -0.170 nan 8.240 nan 0.000 0.640 1114 P HA 0.513 nan 4.420 nan 0.000 0.279 1114 P C -0.527 176.776 177.300 0.004 0.000 1.239 1114 P CA -0.300 62.798 63.100 -0.002 0.000 0.789 1114 P CB 0.971 32.658 31.700 -0.023 0.000 0.933 1115 S N 2.825 118.526 115.700 0.003 0.000 2.543 1115 S HA 0.492 4.965 4.470 0.005 0.000 0.273 1115 S C -1.573 173.027 174.600 -0.001 0.000 1.152 1115 S CA -0.656 57.553 58.200 0.015 0.000 0.910 1115 S CB 0.336 63.565 63.200 0.048 0.000 1.105 1115 S HN 0.115 nan 8.310 nan 0.000 0.465 1116 L N 3.247 124.467 121.223 -0.005 0.000 2.343 1116 L HA 0.652 4.995 4.340 0.005 0.000 0.275 1116 L C 0.185 177.047 176.870 -0.013 0.000 1.056 1116 L CA 0.128 54.957 54.840 -0.018 0.000 0.804 1116 L CB 1.496 43.539 42.059 -0.027 0.000 1.203 1116 L HN 0.882 nan 8.230 nan 0.000 0.440 1117 T N 2.947 117.489 114.554 -0.020 0.000 2.815 1117 T HA 0.580 4.933 4.350 0.005 0.000 0.289 1117 T C -0.418 174.100 174.700 -0.304 0.000 1.000 1117 T CA -0.387 61.635 62.100 -0.130 0.000 0.958 1117 T CB 1.492 70.357 68.868 -0.004 0.000 0.944 1117 T HN 0.226 nan 8.240 nan 0.000 0.442 1118 V N 4.212 123.884 119.914 -0.403 0.000 2.495 1118 V HA 0.537 4.660 4.120 0.005 0.000 0.298 1118 V C -1.133 174.705 176.094 -0.426 0.000 1.031 1118 V CA -1.008 61.109 62.300 -0.306 0.000 0.871 1118 V CB 1.092 32.837 31.823 -0.130 0.000 0.988 1118 V HN 0.823 nan 8.190 nan 0.000 0.432 1119 Y N 3.251 123.561 120.300 0.018 0.000 2.429 1119 Y HA 0.598 5.151 4.550 0.005 0.000 0.342 1119 Y C 0.042 175.963 175.900 0.036 0.000 1.004 1119 Y CA -0.994 57.116 58.100 0.017 0.000 1.075 1119 Y CB 1.800 40.277 38.460 0.027 0.000 1.214 1119 Y HN 0.420 nan 8.280 nan 0.000 0.455 1120 L N 2.034 123.388 121.223 0.217 0.000 2.467 1120 L HA 0.045 4.388 4.340 0.005 0.000 0.270 1120 L C 0.492 177.449 176.870 0.144 0.000 1.205 1120 L CA 0.092 55.028 54.840 0.161 0.000 0.828 1120 L CB 0.265 42.428 42.059 0.173 0.000 1.101 1120 L HN 0.622 nan 8.230 nan 0.000 0.479 1121 E N 3.717 123.998 120.200 0.135 0.000 2.708 1121 E HA -0.135 4.218 4.350 0.005 0.000 0.260 1121 E C -1.635 175.004 176.600 0.065 0.000 0.937 1121 E CA -0.641 55.823 56.400 0.107 0.000 0.953 1121 E CB 0.649 30.445 29.700 0.160 0.000 0.915 1121 E HN 0.371 nan 8.360 nan 0.000 0.487 1122 P HA -0.207 nan 4.420 nan 0.000 0.216 1122 P C 0.918 178.197 177.300 -0.035 0.000 1.154 1122 P CA 1.696 64.795 63.100 -0.002 0.000 0.865 1122 P CB -0.009 31.682 31.700 -0.016 0.000 0.789 1123 G N 0.395 109.136 108.800 -0.099 0.000 2.981 1123 G HA2 -0.192 3.771 3.960 0.005 0.000 0.199 1123 G HA3 -0.192 3.771 3.960 0.005 0.000 0.199 1123 G C 0.247 175.048 174.900 -0.166 0.000 1.434 1123 G CA 0.397 45.366 45.100 -0.218 0.000 0.800 1123 G HN 0.290 nan 8.290 nan 0.000 0.702 1124 H N 0.738 119.829 119.070 0.035 0.000 3.070 1124 H HA 0.342 4.901 4.556 0.005 0.000 0.313 1124 H C 0.782 176.153 175.328 0.071 0.000 0.997 1124 H CA 0.527 56.604 56.048 0.049 0.000 1.438 1124 H CB 0.739 30.524 29.762 0.039 0.000 1.455 1124 H HN 0.464 nan 8.280 nan 0.000 0.575 1125 A N 2.249 125.187 122.820 0.197 0.000 1.996 1125 A HA 0.376 4.698 4.320 0.005 0.000 0.185 1125 A C 1.649 179.377 177.584 0.240 0.000 1.803 1125 A CA 0.477 52.622 52.037 0.180 0.000 1.335 1125 A CB -0.120 18.945 19.000 0.109 0.000 1.486 1125 A HN 0.623 nan 8.150 nan 0.000 0.408 1126 A N -0.343 122.618 122.820 0.235 0.000 2.343 1126 A HA 0.313 4.636 4.320 0.005 0.000 0.223 1126 A C 0.466 178.263 177.584 0.355 0.000 1.214 1126 A CA 0.593 52.825 52.037 0.325 0.000 0.900 1126 A CB -0.197 18.912 19.000 0.182 0.000 0.942 1126 A HN 0.194 nan 8.150 nan 0.000 0.507 1127 D N 1.124 121.661 120.400 0.227 0.000 2.542 1127 D HA 0.048 4.691 4.640 0.005 0.000 0.242 1127 D C 1.493 177.788 176.300 -0.008 0.000 1.207 1127 D CA 0.220 54.287 54.000 0.112 0.000 1.172 1127 D CB 0.205 41.062 40.800 0.094 0.000 1.126 1127 D HN 0.571 nan 8.370 nan 0.000 0.500 1128 Q N 1.722 121.482 119.800 -0.066 0.000 2.170 1128 Q HA -0.178 4.164 4.340 0.005 0.000 0.203 1128 Q C 1.485 177.237 176.000 -0.414 0.000 0.976 1128 Q CA 1.367 56.863 55.803 -0.512 0.000 0.858 1128 Q CB -0.119 28.313 28.738 -0.510 0.000 0.907 1128 Q HN 0.364 nan 8.270 nan 0.000 0.433 1129 E N -0.164 119.907 120.200 -0.215 0.000 2.511 1129 E HA -0.152 4.200 4.350 0.005 0.000 0.196 1129 E C 1.481 177.984 176.600 -0.162 0.000 1.066 1129 E CA 0.509 56.804 56.400 -0.175 0.000 0.871 1129 E CB 0.158 29.794 29.700 -0.106 0.000 0.863 1129 E HN 0.681 nan 8.360 nan 0.000 0.520 1130 Q N -0.395 119.306 119.800 -0.165 0.000 2.324 1130 Q HA 0.081 4.424 4.340 0.005 0.000 0.207 1130 Q C 1.947 177.849 176.000 -0.162 0.000 0.928 1130 Q CA 0.689 56.396 55.803 -0.160 0.000 0.890 1130 Q CB 0.084 28.715 28.738 -0.179 0.000 1.001 1130 Q HN 0.242 nan 8.270 nan 0.000 0.517 1131 A N 1.945 124.647 122.820 -0.196 0.000 1.958 1131 A HA -0.250 4.073 4.320 0.005 0.000 0.221 1131 A C 1.981 179.441 177.584 -0.207 0.000 1.178 1131 A CA 1.884 53.800 52.037 -0.202 0.000 0.642 1131 A CB -0.422 18.358 19.000 -0.366 0.000 0.816 1131 A HN 0.371 nan 8.150 nan 0.000 0.453 1132 K N -0.672 119.583 120.400 -0.242 0.000 2.097 1132 K HA -0.034 4.289 4.320 0.005 0.000 0.206 1132 K C 1.720 178.231 176.600 -0.149 0.000 1.049 1132 K CA 1.348 57.510 56.287 -0.209 0.000 0.933 1132 K CB -0.317 32.062 32.500 -0.201 0.000 0.717 1132 K HN 0.507 nan 8.250 nan 0.000 0.442 1133 L N 0.301 121.446 121.223 -0.130 0.000 2.240 1133 L HA -0.105 4.238 4.340 0.005 0.000 0.211 1133 L C 1.950 178.772 176.870 -0.081 0.000 1.106 1133 L CA 0.470 55.250 54.840 -0.100 0.000 0.793 1133 L CB -0.196 41.804 42.059 -0.099 0.000 0.927 1133 L HN 0.095 nan 8.230 nan 0.000 0.446 1134 I N -0.480 120.042 120.570 -0.080 0.000 2.193 1134 I HA -0.226 3.947 4.170 0.005 0.000 0.240 1134 I C 2.672 178.755 176.117 -0.056 0.000 1.084 1134 I CA 1.123 62.390 61.300 -0.055 0.000 1.365 1134 I CB -0.526 37.449 38.000 -0.041 0.000 1.064 1134 I HN 0.116 nan 8.210 nan 0.000 0.410 1135 R N 0.769 121.222 120.500 -0.078 0.000 2.136 1135 R HA -0.315 4.027 4.340 0.005 0.000 0.242 1135 R C 2.527 178.792 176.300 -0.058 0.000 1.131 1135 R CA 2.575 58.626 56.100 -0.080 0.000 0.937 1135 R CB -0.709 29.506 30.300 -0.142 0.000 0.863 1135 R HN 0.402 nan 8.270 nan 0.000 0.435 1136 S N -0.443 115.214 115.700 -0.071 0.000 2.368 1136 S HA -0.226 4.247 4.470 0.005 0.000 0.226 1136 S C 1.899 176.478 174.600 -0.034 0.000 1.044 1136 S CA 1.791 59.960 58.200 -0.051 0.000 1.062 1136 S CB -0.441 62.722 63.200 -0.061 0.000 0.931 1136 S HN 0.605 nan 8.310 nan 0.000 0.440 1137 A N 0.109 122.908 122.820 -0.035 0.000 2.235 1137 A HA 0.266 4.589 4.320 0.005 0.000 0.208 1137 A C 1.701 179.279 177.584 -0.009 0.000 1.172 1137 A CA 0.739 52.761 52.037 -0.024 0.000 0.786 1137 A CB -0.286 18.698 19.000 -0.027 0.000 0.804 1137 A HN 0.623 nan 8.150 nan 0.000 0.479 1138 I N -1.254 119.314 120.570 -0.004 0.000 3.718 1138 I HA 0.111 4.283 4.170 0.005 0.000 0.297 1138 I C 0.883 177.023 176.117 0.038 0.000 1.220 1138 I CA 0.156 61.463 61.300 0.013 0.000 1.381 1138 I CB -1.284 36.718 38.000 0.003 0.000 1.238 1138 I HN 0.366 nan 8.210 nan 0.000 0.448 1139 E N 2.838 123.060 120.200 0.037 0.000 2.328 1139 E HA -0.109 4.244 4.350 0.005 0.000 0.265 1139 E C -0.207 176.437 176.600 0.073 0.000 1.057 1139 E CA 0.034 56.474 56.400 0.067 0.000 0.916 1139 E CB 0.109 29.855 29.700 0.077 0.000 0.993 1139 E HN 0.249 nan 8.360 nan 0.000 0.446 1140 H N 3.179 122.250 119.070 0.002 0.000 2.878 1140 H HA 0.163 4.722 4.556 0.005 0.000 0.290 1140 H C -1.119 174.205 175.328 -0.008 0.000 1.065 1140 H CA -0.016 56.028 56.048 -0.006 0.000 1.477 1140 H CB 0.718 30.474 29.762 -0.009 0.000 1.484 1140 H HN 0.261 nan 8.280 nan 0.000 0.504 1141 T N 5.932 120.198 114.554 -0.480 0.000 2.809 1141 T HA 0.234 4.587 4.350 0.005 0.000 0.296 1141 T C -0.155 174.290 174.700 -0.426 0.000 1.015 1141 T CA -0.753 61.141 62.100 -0.344 0.000 0.954 1141 T CB 0.595 69.360 68.868 -0.171 0.000 0.950 1141 T HN 0.775 nan 8.240 nan 0.000 0.450 1142 T N 1.128 115.489 114.554 -0.322 0.000 2.874 1142 T HA 0.387 4.740 4.350 0.005 0.000 0.281 1142 T C 1.370 176.012 174.700 -0.098 0.000 0.994 1142 T CA -0.938 61.057 62.100 -0.175 0.000 1.015 1142 T CB 0.878 69.721 68.868 -0.041 0.000 1.028 1142 T HN 0.242 nan 8.240 nan 0.000 0.523 1143 L N 0.703 121.889 121.223 -0.061 0.000 2.093 1143 L HA 0.086 4.429 4.340 0.005 0.000 0.208 1143 L C 2.573 179.428 176.870 -0.024 0.000 1.085 1143 L CA 1.809 56.624 54.840 -0.041 0.000 0.755 1143 L CB -1.028 41.020 42.059 -0.018 0.000 0.904 1143 L HN 0.900 nan 8.230 nan 0.000 0.435 1144 K N -0.142 120.252 120.400 -0.010 0.000 2.034 1144 K HA -0.229 4.093 4.320 0.005 0.000 0.214 1144 K C 1.749 178.343 176.600 -0.009 0.000 1.051 1144 K CA 2.023 58.309 56.287 -0.000 0.000 0.931 1144 K CB -0.455 32.051 32.500 0.010 0.000 0.715 1144 K HN 0.576 nan 8.250 nan 0.000 0.446 1145 S N -0.458 115.230 115.700 -0.019 0.000 2.881 1145 S HA 0.019 4.491 4.470 0.005 0.000 0.228 1145 S C 0.917 175.499 174.600 -0.031 0.000 0.965 1145 S CA 0.463 58.648 58.200 -0.024 0.000 0.998 1145 S CB -0.021 63.161 63.200 -0.029 0.000 0.795 1145 S HN 0.267 nan 8.310 nan 0.000 0.518 1146 V N -3.911 115.986 119.914 -0.029 0.000 3.400 1146 V HA 0.274 4.397 4.120 0.005 0.000 0.281 1146 V C 0.191 176.272 176.094 -0.021 0.000 1.617 1146 V CA -0.268 62.014 62.300 -0.030 0.000 1.044 1146 V CB -0.594 31.203 31.823 -0.044 0.000 0.858 1146 V HN 0.346 nan 8.190 nan 0.000 0.425 1147 T N 3.262 117.808 114.554 -0.013 0.000 2.749 1147 T HA 0.482 4.835 4.350 0.005 0.000 0.295 1147 T C 1.323 176.025 174.700 0.003 0.000 0.936 1147 T CA -0.135 61.964 62.100 -0.003 0.000 1.060 1147 T CB 1.774 70.644 68.868 0.004 0.000 0.904 1147 T HN 0.000 nan 8.240 nan 0.000 0.500 1148 I N 1.721 122.295 120.570 0.007 0.000 2.086 1148 I HA 0.064 4.237 4.170 0.005 0.000 0.233 1148 I C 1.412 177.540 176.117 0.018 0.000 1.060 1148 I CA 1.108 62.415 61.300 0.012 0.000 1.326 1148 I CB -0.901 37.108 38.000 0.015 0.000 1.067 1148 I HN 0.640 nan 8.210 nan 0.000 0.398 1149 A N -0.088 122.748 122.820 0.027 0.000 2.498 1149 A HA 0.593 4.916 4.320 0.005 0.000 0.298 1149 A C -0.085 177.525 177.584 0.043 0.000 1.075 1149 A CA -0.204 51.854 52.037 0.035 0.000 0.714 1149 A CB 1.605 20.630 19.000 0.042 0.000 1.299 1149 A HN 0.351 nan 8.150 nan 0.000 0.407 1150 S N 0.287 116.014 115.700 0.045 0.000 2.767 1150 S HA 0.874 5.347 4.470 0.005 0.000 0.300 1150 S C -0.522 174.124 174.600 0.077 0.000 1.123 1150 S CA -0.344 57.890 58.200 0.056 0.000 0.992 1150 S CB 1.637 64.862 63.200 0.043 0.000 1.138 1150 S HN 0.759 nan 8.310 nan 0.000 0.550 1151 E N -0.016 120.246 120.200 0.103 0.000 3.397 1151 E HA 0.228 4.581 4.350 0.005 0.000 0.380 1151 E C -1.623 175.104 176.600 0.212 0.000 0.989 1151 E CA -0.149 56.340 56.400 0.149 0.000 0.783 1151 E CB 1.004 30.865 29.700 0.269 0.000 1.334 1151 E HN 0.679 nan 8.360 nan 0.000 0.457 1152 I N 3.492 124.144 120.570 0.137 0.000 2.365 1152 I HA 0.364 4.536 4.170 0.005 0.000 0.291 1152 I C -0.573 175.665 176.117 0.202 0.000 1.004 1152 I CA -0.304 61.114 61.300 0.197 0.000 1.311 1152 I CB 0.482 38.551 38.000 0.115 0.000 1.401 1152 I HN 0.398 nan 8.210 nan 0.000 0.491 1153 Y N 4.337 124.766 120.300 0.216 0.000 2.602 1153 Y HA 0.356 4.909 4.550 0.005 0.000 0.342 1153 Y C -0.733 175.348 175.900 0.303 0.000 1.029 1153 Y CA -0.688 57.543 58.100 0.217 0.000 1.080 1153 Y CB 1.723 40.255 38.460 0.119 0.000 1.284 1153 Y HN 0.343 nan 8.280 nan 0.000 0.485 1154 Y N 2.070 122.516 120.300 0.243 0.000 2.434 1154 Y HA 0.371 4.924 4.550 0.005 0.000 0.341 1154 Y C -0.981 174.932 175.900 0.022 0.000 0.965 1154 Y CA -0.566 57.520 58.100 -0.023 0.000 1.205 1154 Y CB 0.508 38.862 38.460 -0.176 0.000 1.121 1154 Y HN 0.492 nan 8.280 nan 0.000 0.507 1155 D N 8.345 128.572 120.400 -0.289 0.000 2.358 1155 D HA 0.315 4.958 4.640 0.005 0.000 0.253 1155 D C -2.313 173.741 176.300 -0.410 0.000 1.288 1155 D CA -2.062 51.803 54.000 -0.226 0.000 0.950 1155 D CB 1.861 42.597 40.800 -0.105 0.000 1.197 1155 D HN 0.258 nan 8.370 nan 0.000 0.550 1156 P HA 0.088 nan 4.420 nan 0.000 0.220 1156 P C 0.091 177.233 177.300 -0.263 0.000 1.154 1156 P CA 0.157 62.947 63.100 -0.516 0.000 0.837 1156 P CB 0.481 31.943 31.700 -0.397 0.000 0.815 1157 D N 0.426 120.722 120.400 -0.174 0.000 2.393 1157 D HA 0.126 4.769 4.640 0.005 0.000 0.232 1157 D C -1.530 174.701 176.300 -0.115 0.000 1.192 1157 D CA -2.317 51.612 54.000 -0.119 0.000 0.882 1157 D CB 0.769 41.520 40.800 -0.081 0.000 1.038 1157 D HN -0.125 nan 8.370 nan 0.000 0.499 1158 P HA -0.232 nan 4.420 nan 0.000 0.219 1158 P C 1.259 178.512 177.300 -0.079 0.000 1.158 1158 P CA 1.616 64.648 63.100 -0.113 0.000 0.895 1158 P CB 0.027 31.641 31.700 -0.144 0.000 0.792 1159 R N -0.341 120.115 120.500 -0.073 0.000 2.280 1159 R HA 0.036 4.379 4.340 0.005 0.000 0.207 1159 R C -0.093 176.180 176.300 -0.045 0.000 1.043 1159 R CA 0.851 56.920 56.100 -0.052 0.000 1.006 1159 R CB -0.374 29.889 30.300 -0.062 0.000 0.885 1159 R HN 0.222 nan 8.270 nan 0.000 0.467 1160 S N -0.129 115.539 115.700 -0.052 0.000 2.547 1160 S HA 0.425 4.898 4.470 0.005 0.000 0.281 1160 S C -0.748 173.822 174.600 -0.050 0.000 1.118 1160 S CA -0.906 57.268 58.200 -0.044 0.000 0.947 1160 S CB 2.284 65.461 63.200 -0.039 0.000 1.053 1160 S HN 0.079 nan 8.310 nan 0.000 0.482 1161 T N 1.855 116.383 114.554 -0.044 0.000 2.902 1161 T HA 0.394 4.746 4.350 0.005 0.000 0.283 1161 T C 1.338 176.017 174.700 -0.033 0.000 1.009 1161 T CA -0.771 61.296 62.100 -0.055 0.000 1.051 1161 T CB 1.459 70.287 68.868 -0.067 0.000 0.999 1161 T HN 0.500 nan 8.240 nan 0.000 0.474 1162 V N 1.513 121.414 119.914 -0.022 0.000 3.041 1162 V HA 0.082 4.205 4.120 0.005 0.000 0.260 1162 V C 0.809 176.913 176.094 0.016 0.000 1.105 1162 V CA 0.902 63.216 62.300 0.023 0.000 1.125 1162 V CB -0.774 31.101 31.823 0.086 0.000 0.730 1162 V HN 0.701 nan 8.190 nan 0.000 0.479 1163 I N 2.159 122.702 120.570 -0.045 0.000 2.365 1163 I HA 0.217 4.390 4.170 0.005 0.000 0.291 1163 I C -1.133 174.962 176.117 -0.036 0.000 1.004 1163 I CA -1.611 59.655 61.300 -0.057 0.000 1.311 1163 I CB 1.375 39.264 38.000 -0.184 0.000 1.401 1163 I HN 0.023 nan 8.210 nan 0.000 0.491 1164 P HA 0.032 nan 4.420 nan 0.000 0.235 1164 P C 0.774 178.070 177.300 -0.007 0.000 1.177 1164 P CA 0.820 63.917 63.100 -0.004 0.000 0.785 1164 P CB 0.381 32.086 31.700 0.008 0.000 0.885 1165 E N 0.440 120.633 120.200 -0.011 0.000 2.076 1165 E HA -0.098 4.254 4.350 0.005 0.000 0.190 1165 E C 1.033 177.624 176.600 -0.014 0.000 0.979 1165 E CA 0.942 57.337 56.400 -0.008 0.000 0.807 1165 E CB -0.634 29.063 29.700 -0.004 0.000 0.761 1165 E HN 0.156 nan 8.360 nan 0.000 0.454 1166 D N 0.937 121.316 120.400 -0.034 0.000 2.379 1166 D HA -0.101 4.542 4.640 0.005 0.000 0.243 1166 D C 1.305 177.590 176.300 -0.024 0.000 1.088 1166 D CA 0.284 54.262 54.000 -0.038 0.000 0.925 1166 D CB -0.061 40.694 40.800 -0.075 0.000 0.888 1166 D HN 0.206 nan 8.370 nan 0.000 0.529 1167 E N 0.924 121.115 120.200 -0.015 0.000 2.012 1167 E HA -0.251 4.101 4.350 0.005 0.000 0.197 1167 E C 1.698 178.302 176.600 0.006 0.000 1.007 1167 E CA 1.022 57.419 56.400 -0.006 0.000 0.816 1167 E CB 0.105 29.803 29.700 -0.003 0.000 0.762 1167 E HN 0.339 nan 8.360 nan 0.000 0.451 1168 E N -0.112 120.095 120.200 0.011 0.000 2.110 1168 E HA -0.177 4.176 4.350 0.005 0.000 0.193 1168 E C 2.139 178.757 176.600 0.029 0.000 0.988 1168 E CA 0.837 57.250 56.400 0.023 0.000 0.804 1168 E CB -0.085 29.629 29.700 0.022 0.000 0.745 1168 E HN 0.234 nan 8.360 nan 0.000 0.458 1169 I N 1.113 121.694 120.570 0.017 0.000 2.800 1169 I HA -0.266 3.907 4.170 0.005 0.000 0.266 1169 I C 1.721 177.848 176.117 0.017 0.000 1.249 1169 I CA 0.792 62.097 61.300 0.009 0.000 1.458 1169 I CB -0.053 37.945 38.000 -0.004 0.000 1.093 1169 I HN 0.256 nan 8.210 nan 0.000 0.466 1170 I N -1.116 119.475 120.570 0.035 0.000 3.790 1170 I HA -0.027 4.146 4.170 0.005 0.000 0.305 1170 I C 2.163 178.349 176.117 0.116 0.000 1.253 1170 I CA 0.456 61.797 61.300 0.069 0.000 1.355 1170 I CB -0.905 37.115 38.000 0.033 0.000 1.137 1170 I HN 0.266 nan 8.210 nan 0.000 0.435 1171 Q N 1.589 121.442 119.800 0.089 0.000 2.152 1171 Q HA -0.129 4.214 4.340 0.005 0.000 0.206 1171 Q C 0.876 177.004 176.000 0.215 0.000 0.985 1171 Q CA 1.248 57.119 55.803 0.114 0.000 0.863 1171 Q CB -0.212 28.572 28.738 0.075 0.000 0.904 1171 Q HN 0.526 nan 8.270 nan 0.000 0.422 1172 L N -1.139 120.179 121.223 0.159 0.000 2.475 1172 L HA 0.480 4.823 4.340 0.005 0.000 0.253 1172 L C -0.424 176.550 176.870 0.172 0.000 1.137 1172 L CA -0.299 54.616 54.840 0.125 0.000 1.058 1172 L CB 0.469 42.538 42.059 0.017 0.000 1.382 1172 L HN -0.041 nan 8.230 nan 0.000 0.416 1173 H N 3.967 123.150 119.070 0.188 0.000 3.099 1173 H HA 0.294 4.853 4.556 0.005 0.000 0.342 1173 H C -0.431 175.123 175.328 0.376 0.000 1.054 1173 H CA -0.028 56.106 56.048 0.144 0.000 1.328 1173 H CB 2.054 31.881 29.762 0.109 0.000 1.876 1173 H HN 0.717 nan 8.280 nan 0.000 0.495 1174 F N 0.877 120.693 119.950 -0.223 0.000 1.393 1174 F HA -0.144 4.385 4.527 0.005 0.000 0.416 1174 F C -1.182 174.525 175.800 -0.156 0.000 0.506 1174 F CA 0.097 58.023 58.000 -0.125 0.000 2.495 1174 F CB -1.145 37.827 39.000 -0.047 0.000 3.384 1174 F HN 0.253 nan 8.300 nan 0.000 0.216 1175 S N 4.086 119.181 115.700 -1.007 0.000 2.465 1175 S HA 0.473 4.946 4.470 0.005 0.000 0.280 1175 S C 0.349 174.631 174.600 -0.529 0.000 1.232 1175 S CA -0.252 57.311 58.200 -1.062 0.000 1.066 1175 S CB 0.921 63.620 63.200 -0.836 0.000 0.929 1175 S HN 0.472 nan 8.310 nan 0.000 0.494 1188 Q N 1.294 121.035 119.800 -0.098 0.000 2.259 1188 Q HA 0.593 4.936 4.340 0.005 0.000 0.246 1188 Q C -0.656 175.309 176.000 -0.059 0.000 0.920 1188 Q CA -0.293 55.455 55.803 -0.091 0.000 0.895 1188 Q CB 1.701 30.340 28.738 -0.165 0.000 1.220 1188 Q HN 0.174 nan 8.270 nan 0.000 0.439 1189 S N 1.675 117.368 115.700 -0.013 0.000 2.580 1189 S HA 0.199 4.672 4.470 0.005 0.000 0.274 1189 S C -1.616 172.941 174.600 -0.071 0.000 1.329 1189 S CA -1.490 56.717 58.200 0.012 0.000 1.036 1189 S CB 0.544 63.816 63.200 0.120 0.000 0.919 1189 S HN 0.488 nan 8.310 nan 0.000 0.515 1190 P HA 0.036 nan 4.420 nan 0.000 0.233 1190 P C -0.518 176.445 177.300 -0.563 0.000 1.167 1190 P CA 0.439 63.227 63.100 -0.520 0.000 0.770 1190 P CB -0.015 31.205 31.700 -0.799 0.000 0.837 1191 W N 1.492 122.721 121.300 -0.118 0.000 2.357 1191 W HA 0.388 5.051 4.660 0.005 0.000 0.317 1191 W C 0.348 176.858 176.519 -0.015 0.000 1.101 1191 W CA -0.954 56.373 57.345 -0.031 0.000 1.380 1191 W CB 0.360 29.835 29.460 0.025 0.000 1.266 1191 W HN -0.128 nan 8.180 nan 0.000 0.419 1192 L N 6.001 127.356 121.223 0.220 0.000 2.312 1192 L HA 0.592 4.935 4.340 0.005 0.000 0.281 1192 L C -0.845 176.140 176.870 0.193 0.000 1.070 1192 L CA -0.747 54.180 54.840 0.145 0.000 0.805 1192 L CB 0.633 42.731 42.059 0.066 0.000 1.174 1192 L HN 0.318 nan 8.230 nan 0.000 0.434 1193 L N 5.658 126.952 121.223 0.118 0.000 2.287 1193 L HA 0.591 4.934 4.340 0.005 0.000 0.287 1193 L C -0.782 176.137 176.870 0.081 0.000 1.022 1193 L CA -0.309 54.595 54.840 0.107 0.000 0.814 1193 L CB 1.070 43.154 42.059 0.042 0.000 1.217 1193 L HN 0.873 nan 8.230 nan 0.000 0.420 1194 R N 5.775 126.345 120.500 0.116 0.000 2.409 1194 R HA 0.633 4.976 4.340 0.005 0.000 0.313 1194 R C -1.665 174.680 176.300 0.074 0.000 0.953 1194 R CA -0.601 55.540 56.100 0.068 0.000 0.849 1194 R CB 0.922 31.234 30.300 0.021 0.000 1.171 1194 R HN 0.798 nan 8.270 nan 0.000 0.458 1195 L N 3.163 124.414 121.223 0.047 0.000 2.307 1195 L HA 0.444 4.787 4.340 0.005 0.000 0.282 1195 L C 0.072 176.962 176.870 0.034 0.000 1.051 1195 L CA -0.569 54.295 54.840 0.040 0.000 0.804 1195 L CB 1.712 43.786 42.059 0.026 0.000 1.197 1195 L HN 0.621 nan 8.230 nan 0.000 0.431 1196 E N 3.175 123.395 120.200 0.035 0.000 2.156 1196 E HA 0.492 4.845 4.350 0.005 0.000 0.279 1196 E C -1.228 175.381 176.600 0.015 0.000 0.965 1196 E CA -0.585 55.832 56.400 0.027 0.000 0.789 1196 E CB 1.349 31.070 29.700 0.035 0.000 1.098 1196 E HN 0.453 nan 8.360 nan 0.000 0.397 1197 L N 2.887 124.114 121.223 0.006 0.000 2.334 1197 L HA 0.307 4.650 4.340 0.005 0.000 0.275 1197 L C 0.037 176.904 176.870 -0.005 0.000 1.036 1197 L CA -0.988 53.848 54.840 -0.006 0.000 0.807 1197 L CB 1.259 43.305 42.059 -0.022 0.000 1.231 1197 L HN 0.565 nan 8.230 nan 0.000 0.438 1198 D N 1.022 121.416 120.400 -0.010 0.000 2.371 1198 D HA 0.024 4.667 4.640 0.005 0.000 0.256 1198 D C 0.957 177.250 176.300 -0.011 0.000 1.193 1198 D CA -0.120 53.875 54.000 -0.008 0.000 0.881 1198 D CB 1.078 41.871 40.800 -0.011 0.000 1.143 1198 D HN 0.316 nan 8.370 nan 0.000 0.473 1199 R N 4.116 124.612 120.500 -0.006 0.000 2.105 1199 R HA -0.128 4.214 4.340 0.005 0.000 0.239 1199 R C 1.571 177.866 176.300 -0.009 0.000 1.135 1199 R CA 2.102 58.198 56.100 -0.006 0.000 0.967 1199 R CB -0.669 29.630 30.300 -0.001 0.000 0.861 1199 R HN 0.495 nan 8.270 nan 0.000 0.442 1200 A N 0.235 123.050 122.820 -0.009 0.000 1.821 1200 A HA 0.042 4.365 4.320 0.005 0.000 0.215 1200 A C 2.322 179.897 177.584 -0.014 0.000 1.214 1200 A CA 1.719 53.749 52.037 -0.010 0.000 0.608 1200 A CB -1.451 17.544 19.000 -0.010 0.000 0.862 1200 A HN 0.448 nan 8.150 nan 0.000 0.448 1201 A N -1.338 121.471 122.820 -0.018 0.000 2.186 1201 A HA -0.090 4.233 4.320 0.005 0.000 0.219 1201 A C 1.926 179.494 177.584 -0.026 0.000 1.159 1201 A CA 1.727 53.750 52.037 -0.023 0.000 0.680 1201 A CB -0.576 18.407 19.000 -0.028 0.000 0.787 1201 A HN 0.463 nan 8.150 nan 0.000 0.467 1202 M N -0.064 119.519 119.600 -0.027 0.000 2.549 1202 M HA -0.046 4.437 4.480 0.005 0.000 0.260 1202 M C 1.093 177.377 176.300 -0.028 0.000 1.076 1202 M CA 0.880 56.160 55.300 -0.033 0.000 1.090 1202 M CB -1.134 31.445 32.600 -0.035 0.000 1.418 1202 M HN 0.533 nan 8.290 nan 0.000 0.486 1203 N N -0.559 118.130 118.700 -0.018 0.000 2.348 1203 N HA -0.064 4.679 4.740 0.005 0.000 0.183 1203 N C 1.068 176.577 175.510 -0.002 0.000 1.094 1203 N CA 0.306 53.348 53.050 -0.012 0.000 0.885 1203 N CB 0.335 38.816 38.487 -0.009 0.000 1.065 1203 N HN 0.282 nan 8.380 nan 0.000 0.472 1204 D N 1.714 122.116 120.400 0.004 0.000 2.117 1204 D HA -0.096 4.546 4.640 0.005 0.000 0.197 1204 D C 0.450 176.777 176.300 0.045 0.000 0.987 1204 D CA 1.327 55.346 54.000 0.032 0.000 0.829 1204 D CB 0.280 41.087 40.800 0.012 0.000 0.961 1204 D HN 0.089 nan 8.370 nan 0.000 0.460 1205 K N 0.305 120.712 120.400 0.012 0.000 2.132 1205 K HA 0.270 4.593 4.320 0.005 0.000 0.241 1205 K C -0.674 175.913 176.600 -0.021 0.000 1.000 1205 K CA -0.595 55.692 56.287 -0.001 0.000 0.911 1205 K CB 0.507 32.996 32.500 -0.019 0.000 1.093 1205 K HN -0.132 nan 8.250 nan 0.000 0.460 1206 D N 1.337 121.718 120.400 -0.032 0.000 3.110 1206 D HA 0.237 4.880 4.640 0.005 0.000 0.254 1206 D C -0.515 175.757 176.300 -0.047 0.000 1.283 1206 D CA -0.045 53.931 54.000 -0.039 0.000 0.944 1206 D CB -0.270 40.503 40.800 -0.044 0.000 1.066 1206 D HN 0.180 nan 8.370 nan 0.000 0.496 1207 L N 1.072 122.265 121.223 -0.050 0.000 2.298 1207 L HA 0.320 4.663 4.340 0.005 0.000 0.284 1207 L C 0.449 177.276 176.870 -0.071 0.000 1.013 1207 L CA -0.603 54.197 54.840 -0.065 0.000 0.824 1207 L CB 1.418 43.434 42.059 -0.072 0.000 1.221 1207 L HN 0.052 nan 8.230 nan 0.000 0.418 1208 T N 1.020 115.524 114.554 -0.082 0.000 2.860 1208 T HA 0.133 4.486 4.350 0.005 0.000 0.299 1208 T C 1.355 175.971 174.700 -0.141 0.000 1.045 1208 T CA -0.725 61.321 62.100 -0.089 0.000 1.071 1208 T CB 1.269 70.085 68.868 -0.087 0.000 0.985 1208 T HN 0.434 nan 8.240 nan 0.000 0.537 1209 M N 1.329 120.842 119.600 -0.145 0.000 2.132 1209 M HA 0.000 4.483 4.480 0.005 0.000 0.263 1209 M C 2.704 178.688 176.300 -0.527 0.000 1.065 1209 M CA 1.737 56.883 55.300 -0.257 0.000 1.122 1209 M CB -1.917 30.596 32.600 -0.145 0.000 1.365 1209 M HN 0.959 nan 8.290 nan 0.000 0.411 1210 G N -0.389 108.181 108.800 -0.384 0.000 2.491 1210 G HA2 -0.305 3.658 3.960 0.005 0.000 0.218 1210 G HA3 -0.305 3.658 3.960 0.005 0.000 0.218 1210 G C 1.435 176.087 174.900 -0.413 0.000 1.180 1210 G CA 1.123 45.982 45.100 -0.401 0.000 0.774 1210 G HN 0.557 nan 8.290 nan 0.000 0.562 1211 Q N -0.233 119.417 119.800 -0.250 0.000 2.152 1211 Q HA -0.124 4.218 4.340 0.005 0.000 0.206 1211 Q C 2.729 178.583 176.000 -0.243 0.000 0.985 1211 Q CA 1.739 57.426 55.803 -0.192 0.000 0.863 1211 Q CB -0.132 28.527 28.738 -0.131 0.000 0.904 1211 Q HN 0.392 nan 8.270 nan 0.000 0.422 1212 V N -0.190 119.536 119.914 -0.312 0.000 2.358 1212 V HA -0.163 3.960 4.120 0.005 0.000 0.246 1212 V C 2.258 178.130 176.094 -0.369 0.000 1.047 1212 V CA 1.759 63.887 62.300 -0.287 0.000 1.035 1212 V CB -1.138 30.528 31.823 -0.262 0.000 0.658 1212 V HN 0.580 nan 8.190 nan 0.000 0.452 1213 G N -0.064 108.300 108.800 -0.726 0.000 2.433 1213 G HA2 -0.207 3.755 3.960 0.005 0.000 0.216 1213 G HA3 -0.207 3.755 3.960 0.005 0.000 0.216 1213 G C 1.430 176.106 174.900 -0.374 0.000 1.186 1213 G CA 0.667 45.208 45.100 -0.931 0.000 0.779 1213 G HN 0.493 nan 8.290 nan 0.000 0.543 1214 E N 0.243 120.260 120.200 -0.306 0.000 2.265 1214 E HA -0.106 4.247 4.350 0.005 0.000 0.196 1214 E C 2.481 179.059 176.600 -0.036 0.000 0.996 1214 E CA 0.694 57.068 56.400 -0.044 0.000 0.832 1214 E CB -0.056 29.638 29.700 -0.010 0.000 0.756 1214 E HN 0.372 nan 8.360 nan 0.000 0.491 1215 R N 0.916 121.363 120.500 -0.089 0.000 2.119 1215 R HA 0.034 4.376 4.340 0.005 0.000 0.222 1215 R C 2.208 178.495 176.300 -0.022 0.000 1.088 1215 R CA 0.616 56.680 56.100 -0.061 0.000 0.984 1215 R CB -0.239 30.009 30.300 -0.086 0.000 0.884 1215 R HN 0.099 nan 8.270 nan 0.000 0.447 1216 I N 0.427 120.999 120.570 0.003 0.000 2.163 1216 I HA -0.246 3.927 4.170 0.005 0.000 0.240 1216 I C 2.160 178.396 176.117 0.199 0.000 1.081 1216 I CA 1.328 62.707 61.300 0.131 0.000 1.353 1216 I CB -0.307 37.782 38.000 0.149 0.000 1.054 1216 I HN 0.155 nan 8.210 nan 0.000 0.407 1217 K N 0.601 121.092 120.400 0.153 0.000 2.034 1217 K HA -0.300 4.023 4.320 0.005 0.000 0.214 1217 K C 2.152 178.823 176.600 0.119 0.000 1.051 1217 K CA 1.891 58.279 56.287 0.167 0.000 0.931 1217 K CB -0.270 32.323 32.500 0.156 0.000 0.715 1217 K HN 0.364 nan 8.250 nan 0.000 0.446 1218 Q N -0.412 119.421 119.800 0.055 0.000 2.248 1218 Q HA -0.153 4.190 4.340 0.005 0.000 0.208 1218 Q C 1.796 177.772 176.000 -0.040 0.000 0.984 1218 Q CA 1.881 57.690 55.803 0.010 0.000 0.875 1218 Q CB 0.009 28.740 28.738 -0.011 0.000 0.910 1218 Q HN 0.420 nan 8.270 nan 0.000 0.433 1219 T N -0.802 113.693 114.554 -0.098 0.000 2.852 1219 T HA -0.008 4.345 4.350 0.005 0.000 0.256 1219 T C 1.119 175.593 174.700 -0.377 0.000 1.038 1219 T CA 0.784 62.692 62.100 -0.320 0.000 1.141 1219 T CB -0.150 68.359 68.868 -0.598 0.000 0.869 1219 T HN 0.197 nan 8.240 nan 0.000 0.439 1220 F N 1.157 121.119 119.950 0.020 0.000 2.754 1220 F HA 0.369 4.899 4.527 0.005 0.000 0.297 1220 F C 1.424 177.244 175.800 0.034 0.000 1.122 1220 F CA -0.491 57.525 58.000 0.027 0.000 1.400 1220 F CB -0.231 38.787 39.000 0.031 0.000 1.117 1220 F HN -0.008 nan 8.300 nan 0.000 0.587 1221 K N 0.373 120.872 120.400 0.164 0.000 2.554 1221 K HA -0.380 3.943 4.320 0.005 0.000 0.167 1221 K C 0.087 176.768 176.600 0.134 0.000 0.814 1221 K CA 2.308 58.664 56.287 0.115 0.000 0.416 1221 K CB -1.175 31.368 32.500 0.071 0.000 0.752 1221 K HN 0.191 nan 8.250 nan 0.000 0.770 1222 N N 1.472 120.242 118.700 0.116 0.000 2.380 1222 N HA 0.167 4.910 4.740 0.005 0.000 0.255 1222 N C -1.217 174.359 175.510 0.110 0.000 1.158 1222 N CA 0.462 53.577 53.050 0.108 0.000 0.878 1222 N CB 0.502 39.038 38.487 0.082 0.000 1.138 1222 N HN 0.446 nan 8.380 nan 0.000 0.509 1223 D N -0.975 119.505 120.400 0.134 0.000 2.785 1223 D HA 0.193 4.836 4.640 0.005 0.000 0.324 1223 D C -0.720 175.637 176.300 0.095 0.000 1.523 1223 D CA -0.362 53.706 54.000 0.113 0.000 0.789 1223 D CB 0.231 41.094 40.800 0.105 0.000 1.171 1223 D HN -0.079 nan 8.370 nan 0.000 0.447 1224 L N 0.994 122.283 121.223 0.110 0.000 2.611 1224 L HA 0.447 4.790 4.340 0.005 0.000 0.263 1224 L C -1.796 175.142 176.870 0.112 0.000 0.969 1224 L CA -0.895 53.974 54.840 0.048 0.000 0.894 1224 L CB 1.508 43.504 42.059 -0.105 0.000 1.229 1224 L HN 0.130 nan 8.230 nan 0.000 0.416 1225 F N 5.946 125.890 119.950 -0.010 0.000 2.472 1225 F HA 0.609 5.139 4.527 0.005 0.000 0.364 1225 F C -0.618 175.164 175.800 -0.029 0.000 1.090 1225 F CA -0.096 57.895 58.000 -0.014 0.000 1.188 1225 F CB 0.698 39.677 39.000 -0.035 0.000 1.105 1225 F HN 0.156 nan 8.300 nan 0.000 0.536 1226 V N 8.245 127.746 119.914 -0.688 0.000 2.487 1226 V HA 0.447 4.570 4.120 0.005 0.000 0.298 1226 V C 0.108 175.759 176.094 -0.738 0.000 1.028 1226 V CA -0.727 61.310 62.300 -0.437 0.000 0.860 1226 V CB 1.359 33.184 31.823 0.003 0.000 0.991 1226 V HN 0.645 nan 8.190 nan 0.000 0.427 1227 I N 3.665 123.889 120.570 -0.577 0.000 3.100 1227 I HA 0.851 5.024 4.170 0.005 0.000 0.312 1227 I C -0.585 175.413 176.117 -0.199 0.000 1.063 1227 I CA -0.608 60.290 61.300 -0.670 0.000 1.031 1227 I CB 2.066 39.757 38.000 -0.515 0.000 1.243 1227 I HN 0.840 nan 8.210 nan 0.000 0.483 1228 W N 0.171 121.392 121.300 -0.131 0.000 2.986 1228 W HA 0.605 5.268 4.660 0.005 0.000 0.345 1228 W C -1.700 174.796 176.519 -0.038 0.000 1.191 1228 W CA -1.116 56.184 57.345 -0.076 0.000 1.170 1228 W CB -0.030 29.390 29.460 -0.067 0.000 1.438 1228 W HN 0.460 nan 8.180 nan 0.000 0.567 1229 S N 0.184 116.057 115.700 0.289 0.000 2.525 1229 S HA 0.444 4.917 4.470 0.005 0.000 0.278 1229 S C -0.196 174.545 174.600 0.235 0.000 1.234 1229 S CA -0.687 57.620 58.200 0.179 0.000 1.058 1229 S CB 2.024 65.285 63.200 0.101 0.000 0.983 1229 S HN 0.623 nan 8.310 nan 0.000 0.495 1230 E N 0.543 120.846 120.200 0.171 0.000 2.428 1230 E HA 0.026 4.378 4.350 0.005 0.000 0.257 1230 E C -0.007 176.647 176.600 0.090 0.000 1.197 1230 E CA -0.146 56.344 56.400 0.150 0.000 0.974 1230 E CB 0.383 30.145 29.700 0.102 0.000 0.976 1230 E HN 0.730 nan 8.360 nan 0.000 0.463 1231 D N 0.417 120.854 120.400 0.063 0.000 2.149 1231 D HA -0.159 4.484 4.640 0.005 0.000 0.201 1231 D C 1.177 177.491 176.300 0.023 0.000 0.972 1231 D CA 0.937 54.955 54.000 0.030 0.000 0.835 1231 D CB -0.102 40.706 40.800 0.013 0.000 0.966 1231 D HN 0.417 nan 8.370 nan 0.000 0.476 1232 N N 0.926 119.642 118.700 0.026 0.000 2.521 1232 N HA -0.077 4.665 4.740 0.005 0.000 0.188 1232 N C -0.112 175.412 175.510 0.023 0.000 1.146 1232 N CA 0.260 53.322 53.050 0.020 0.000 0.893 1232 N CB -0.188 38.309 38.487 0.017 0.000 0.975 1232 N HN 0.042 nan 8.380 nan 0.000 0.451 1233 D N 0.980 121.399 120.400 0.031 0.000 2.349 1233 D HA -0.011 4.632 4.640 0.005 0.000 0.239 1233 D C 1.172 177.487 176.300 0.024 0.000 1.315 1233 D CA -0.067 53.952 54.000 0.031 0.000 0.937 1233 D CB 0.682 41.508 40.800 0.044 0.000 1.133 1233 D HN 0.060 nan 8.370 nan 0.000 0.489 1234 E N 0.248 120.462 120.200 0.023 0.000 1.999 1234 E HA 0.012 4.365 4.350 0.005 0.000 0.198 1234 E C -0.081 176.530 176.600 0.018 0.000 0.960 1234 E CA 1.112 57.523 56.400 0.018 0.000 0.870 1234 E CB 0.083 29.794 29.700 0.017 0.000 0.827 1234 E HN 0.218 nan 8.360 nan 0.000 0.511 1235 K N 0.321 120.732 120.400 0.019 0.000 2.202 1235 K HA 0.252 4.575 4.320 0.005 0.000 0.264 1235 K C -0.480 176.134 176.600 0.024 0.000 1.010 1235 K CA -0.230 56.069 56.287 0.019 0.000 0.940 1235 K CB 0.597 33.109 32.500 0.019 0.000 0.983 1235 K HN 0.240 nan 8.250 nan 0.000 0.475 1236 L N 5.077 126.312 121.223 0.021 0.000 2.255 1236 L HA 0.402 4.744 4.340 0.005 0.000 0.289 1236 L C -0.367 176.519 176.870 0.027 0.000 1.046 1236 L CA -0.343 54.511 54.840 0.023 0.000 0.816 1236 L CB 0.252 42.315 42.059 0.006 0.000 1.197 1236 L HN 0.480 nan 8.230 nan 0.000 0.427 1237 I N 4.200 124.798 120.570 0.047 0.000 2.533 1237 I HA 0.433 4.606 4.170 0.005 0.000 0.290 1237 I C -0.458 175.710 176.117 0.085 0.000 1.056 1237 I CA -0.355 60.973 61.300 0.048 0.000 1.057 1237 I CB 2.702 40.719 38.000 0.029 0.000 1.240 1237 I HN 0.369 nan 8.210 nan 0.000 0.423 1238 I N 5.723 126.334 120.570 0.068 0.000 2.441 1238 I HA 0.521 4.693 4.170 0.005 0.000 0.295 1238 I C -0.378 175.770 176.117 0.053 0.000 0.994 1238 I CA -0.752 60.608 61.300 0.100 0.000 1.144 1238 I CB 1.787 39.824 38.000 0.062 0.000 1.314 1238 I HN 0.499 nan 8.210 nan 0.000 0.445 1239 R N 4.334 124.856 120.500 0.038 0.000 2.534 1239 R HA 0.733 5.076 4.340 0.005 0.000 0.301 1239 R C -1.438 174.850 176.300 -0.019 0.000 0.961 1239 R CA -0.501 55.595 56.100 -0.005 0.000 0.871 1239 R CB 2.107 32.386 30.300 -0.034 0.000 1.170 1239 R HN 0.618 nan 8.270 nan 0.000 0.446 1240 C N 1.887 121.185 119.300 -0.004 0.000 2.698 1240 C HA 0.618 5.081 4.460 0.005 0.000 0.309 1240 C C -0.460 174.544 174.990 0.025 0.000 1.186 1240 C CA -1.135 57.873 59.018 -0.017 0.000 1.474 1240 C CB 1.795 29.495 27.740 -0.067 0.000 2.020 1240 C HN 0.839 nan 8.230 nan 0.000 0.474 1241 R N 1.388 121.926 120.500 0.063 0.000 2.725 1241 R HA 0.713 5.056 4.340 0.005 0.000 0.277 1241 R C -1.196 175.140 176.300 0.059 0.000 0.987 1241 R CA -0.666 55.482 56.100 0.079 0.000 0.901 1241 R CB 1.612 31.977 30.300 0.108 0.000 1.207 1241 R HN 0.502 nan 8.270 nan 0.000 0.463 1242 V N 1.910 121.851 119.914 0.046 0.000 2.924 1242 V HA 0.179 4.302 4.120 0.005 0.000 0.305 1242 V C 0.491 176.618 176.094 0.054 0.000 1.073 1242 V CA -0.149 62.172 62.300 0.034 0.000 1.098 1242 V CB 1.289 33.129 31.823 0.028 0.000 1.000 1242 V HN 0.464 nan 8.190 nan 0.000 0.484 1255 E N -0.647 119.615 120.200 0.105 0.000 2.267 1255 E HA -0.142 4.211 4.350 0.005 0.000 0.229 1255 E C 0.107 176.704 176.600 -0.005 0.000 1.193 1255 E CA 1.157 57.632 56.400 0.126 0.000 0.695 1255 E CB -1.153 28.661 29.700 0.190 0.000 1.219 1255 E HN 0.628 nan 8.360 nan 0.000 0.391 1256 E N -0.094 120.066 120.200 -0.067 0.000 2.399 1256 E HA -0.059 4.293 4.350 0.005 0.000 0.205 1256 E C 0.931 177.123 176.600 -0.679 0.000 0.906 1256 E CA 0.819 57.066 56.400 -0.254 0.000 0.998 1256 E CB 0.342 30.020 29.700 -0.036 0.000 1.002 1256 E HN 0.438 nan 8.360 nan 0.000 0.501 1257 D N 0.058 119.909 120.400 -0.915 0.000 2.263 1257 D HA -0.288 4.354 4.640 0.005 0.000 0.193 1257 D C 1.536 177.445 176.300 -0.652 0.000 1.013 1257 D CA 2.217 55.436 54.000 -1.302 0.000 0.892 1257 D CB -0.583 39.876 40.800 -0.567 0.000 0.909 1257 D HN 0.553 nan 8.370 nan 0.000 0.449 1258 H N -3.752 115.060 119.070 -0.430 0.000 3.170 1258 H HA 0.380 4.938 4.556 0.005 0.000 0.264 1258 H C 1.530 176.752 175.328 -0.176 0.000 1.113 1258 H CA -0.400 55.498 56.048 -0.249 0.000 1.194 1258 H CB 0.121 29.784 29.762 -0.165 0.000 1.553 1258 H HN -0.095 nan 8.280 nan 0.000 0.538 1259 M N 0.925 120.098 119.600 -0.712 0.000 2.193 1259 M HA 0.060 4.543 4.480 0.005 0.000 0.265 1259 M C 1.974 178.112 176.300 -0.270 0.000 1.071 1259 M CA 0.687 55.670 55.300 -0.528 0.000 1.140 1259 M CB -0.624 31.742 32.600 -0.390 0.000 1.369 1259 M HN 0.492 nan 8.290 nan 0.000 0.423 1260 L N 0.580 121.661 121.223 -0.237 0.000 2.197 1260 L HA -0.247 4.096 4.340 0.005 0.000 0.215 1260 L C 2.199 179.001 176.870 -0.114 0.000 1.095 1260 L CA 2.008 56.761 54.840 -0.146 0.000 0.764 1260 L CB -0.704 41.288 42.059 -0.113 0.000 0.897 1260 L HN 0.338 nan 8.230 nan 0.000 0.436 1261 K N -0.421 119.903 120.400 -0.126 0.000 2.057 1261 K HA -0.227 4.096 4.320 0.005 0.000 0.207 1261 K C 1.973 178.549 176.600 -0.039 0.000 1.049 1261 K CA 1.623 57.871 56.287 -0.065 0.000 0.931 1261 K CB -0.059 32.415 32.500 -0.043 0.000 0.714 1261 K HN 0.107 nan 8.250 nan 0.000 0.440 1262 K N 0.557 120.925 120.400 -0.055 0.000 2.504 1262 K HA 0.070 4.393 4.320 0.005 0.000 0.195 1262 K C 1.531 178.141 176.600 0.016 0.000 1.036 1262 K CA 0.555 56.833 56.287 -0.015 0.000 0.984 1262 K CB 0.038 32.525 32.500 -0.021 0.000 0.788 1262 K HN 0.242 nan 8.250 nan 0.000 0.488 1263 I N 0.376 120.941 120.570 -0.007 0.000 2.193 1263 I HA -0.260 3.913 4.170 0.005 0.000 0.240 1263 I C 2.146 178.288 176.117 0.043 0.000 1.084 1263 I CA 1.222 62.532 61.300 0.017 0.000 1.365 1263 I CB -0.198 37.720 38.000 -0.136 0.000 1.064 1263 I HN 0.224 nan 8.210 nan 0.000 0.410 1264 E N 1.352 121.554 120.200 0.003 0.000 2.233 1264 E HA -0.303 4.050 4.350 0.005 0.000 0.199 1264 E C 1.581 178.207 176.600 0.045 0.000 1.004 1264 E CA 2.075 58.488 56.400 0.023 0.000 0.819 1264 E CB -0.486 29.221 29.700 0.011 0.000 0.738 1264 E HN 0.478 nan 8.360 nan 0.000 0.478 1265 N N -0.326 118.400 118.700 0.045 0.000 2.022 1265 N HA -0.180 4.563 4.740 0.005 0.000 0.194 1265 N C 1.704 177.256 175.510 0.070 0.000 1.057 1265 N CA 2.999 56.078 53.050 0.049 0.000 0.849 1265 N CB -0.368 38.142 38.487 0.039 0.000 1.044 1265 N HN 0.418 nan 8.380 nan 0.000 0.424 1266 T N -0.831 113.782 114.554 0.099 0.000 2.737 1266 T HA -0.220 4.133 4.350 0.005 0.000 0.269 1266 T C 2.000 176.785 174.700 0.141 0.000 1.040 1266 T CA 1.185 63.353 62.100 0.113 0.000 1.142 1266 T CB -0.445 68.506 68.868 0.139 0.000 0.861 1266 T HN 0.185 nan 8.240 nan 0.000 0.456 1267 M N 0.509 120.229 119.600 0.201 0.000 2.106 1267 M HA -0.031 4.452 4.480 0.005 0.000 0.259 1267 M C 2.261 178.620 176.300 0.099 0.000 1.068 1267 M CA 1.661 57.077 55.300 0.193 0.000 1.100 1267 M CB -0.516 32.169 32.600 0.143 0.000 1.351 1267 M HN 0.361 nan 8.290 nan 0.000 0.404 1268 L N -1.736 119.528 121.223 0.069 0.000 2.168 1268 L HA -0.086 4.256 4.340 0.005 0.000 0.203 1268 L C 2.220 179.114 176.870 0.039 0.000 1.078 1268 L CA 0.558 55.424 54.840 0.043 0.000 0.780 1268 L CB -0.487 41.593 42.059 0.035 0.000 0.939 1268 L HN 0.102 nan 8.230 nan 0.000 0.451 1269 E N 0.371 120.598 120.200 0.044 0.000 2.051 1269 E HA -0.071 4.282 4.350 0.005 0.000 0.189 1269 E C 1.648 178.274 176.600 0.043 0.000 0.979 1269 E CA 0.938 57.363 56.400 0.041 0.000 0.803 1269 E CB 0.000 29.721 29.700 0.035 0.000 0.761 1269 E HN 0.236 nan 8.360 nan 0.000 0.451 1270 N N 0.074 118.795 118.700 0.035 0.000 2.280 1270 N HA 0.038 4.781 4.740 0.005 0.000 0.192 1270 N C -0.441 175.072 175.510 0.005 0.000 1.109 1270 N CA 0.087 53.148 53.050 0.018 0.000 0.855 1270 N CB 0.689 39.173 38.487 -0.005 0.000 0.974 1270 N HN 0.091 nan 8.380 nan 0.000 0.482 1271 I N 2.025 122.601 120.570 0.010 0.000 2.294 1271 I HA 0.076 4.249 4.170 0.005 0.000 0.295 1271 I C 0.331 176.435 176.117 -0.021 0.000 1.098 1271 I CA 0.082 61.374 61.300 -0.013 0.000 1.277 1271 I CB -0.165 37.835 38.000 -0.001 0.000 1.434 1271 I HN -0.293 nan 8.210 nan 0.000 0.498 1272 T N 7.336 121.885 114.554 -0.009 0.000 2.752 1272 T HA 0.162 4.515 4.350 0.005 0.000 0.295 1272 T C 1.373 176.026 174.700 -0.078 0.000 0.923 1272 T CA -0.332 61.748 62.100 -0.034 0.000 1.112 1272 T CB 1.184 70.088 68.868 0.059 0.000 0.884 1272 T HN 0.263 nan 8.240 nan 0.000 0.525 1273 L N 3.235 124.380 121.223 -0.130 0.000 1.971 1273 L HA 0.190 4.533 4.340 0.005 0.000 0.208 1273 L C 1.580 178.393 176.870 -0.095 0.000 1.083 1273 L CA 1.575 56.348 54.840 -0.111 0.000 0.753 1273 L CB -0.320 41.665 42.059 -0.122 0.000 0.893 1273 L HN 0.640 nan 8.230 nan 0.000 0.436 1274 R N -1.397 119.038 120.500 -0.108 0.000 2.922 1274 R HA 0.609 4.952 4.340 0.005 0.000 0.256 1274 R C -0.502 175.760 176.300 -0.064 0.000 1.138 1274 R CA -0.099 55.958 56.100 -0.071 0.000 0.995 1274 R CB 1.273 31.536 30.300 -0.062 0.000 1.226 1274 R HN 0.306 nan 8.270 nan 0.000 0.481 1275 G N -0.142 108.651 108.800 -0.012 0.000 2.663 1275 G HA2 -0.084 3.878 3.960 0.005 0.000 0.686 1275 G HA3 -0.084 3.878 3.960 0.005 0.000 0.686 1275 G C -1.317 173.642 174.900 0.100 0.000 1.288 1275 G CA -0.389 44.734 45.100 0.038 0.000 0.836 1275 G HN 0.515 nan 8.290 nan 0.000 0.584 1276 V N 0.860 120.837 119.914 0.106 0.000 2.472 1276 V HA 0.563 4.686 4.120 0.005 0.000 0.290 1276 V C 0.746 176.885 176.094 0.075 0.000 1.037 1276 V CA 0.131 62.478 62.300 0.079 0.000 0.908 1276 V CB 1.503 33.343 31.823 0.028 0.000 0.985 1276 V HN 1.146 nan 8.190 nan 0.000 0.454 1277 E N 4.507 124.694 120.200 -0.021 0.000 2.360 1277 E HA 0.297 4.649 4.350 0.005 0.000 0.269 1277 E C 0.357 176.817 176.600 -0.234 0.000 1.022 1277 E CA -0.140 56.077 56.400 -0.304 0.000 0.887 1277 E CB 0.340 29.892 29.700 -0.247 0.000 0.990 1277 E HN 0.613 nan 8.360 nan 0.000 0.426 1278 N N 0.851 119.364 118.700 -0.312 0.000 2.928 1278 N HA -0.148 4.595 4.740 0.005 0.000 0.186 1278 N C -0.574 174.885 175.510 -0.084 0.000 1.280 1278 N CA 0.983 53.938 53.050 -0.159 0.000 1.285 1278 N CB -1.190 37.236 38.487 -0.103 0.000 0.961 1278 N HN 0.471 nan 8.380 nan 0.000 0.549 1279 I N 3.513 124.056 120.570 -0.046 0.000 2.357 1279 I HA 0.129 4.302 4.170 0.005 0.000 0.300 1279 I C 1.206 177.357 176.117 0.057 0.000 1.159 1279 I CA 0.158 61.466 61.300 0.014 0.000 1.339 1279 I CB -0.432 37.587 38.000 0.032 0.000 1.458 1279 I HN 0.073 nan 8.210 nan 0.000 0.577 1280 E N 5.070 125.293 120.200 0.038 0.000 4.068 1280 E HA 0.204 4.557 4.350 0.005 0.000 0.355 1280 E C 0.459 177.095 176.600 0.059 0.000 1.511 1280 E CA -0.428 56.004 56.400 0.054 0.000 1.957 1280 E CB 0.209 29.927 29.700 0.030 0.000 1.345 1280 E HN 0.489 nan 8.360 nan 0.000 0.796 1281 R N -0.280 120.249 120.500 0.047 0.000 2.474 1281 R HA -0.048 4.295 4.340 0.005 0.000 0.275 1281 R C -1.024 175.339 176.300 0.105 0.000 0.945 1281 R CA 0.139 56.281 56.100 0.071 0.000 1.115 1281 R CB -0.391 29.926 30.300 0.028 0.000 0.874 1281 R HN 0.080 nan 8.270 nan 0.000 0.421 1282 V N 4.933 124.948 119.914 0.168 0.000 2.531 1282 V HA 0.328 4.451 4.120 0.005 0.000 0.301 1282 V C -0.357 175.790 176.094 0.088 0.000 1.034 1282 V CA -0.821 61.537 62.300 0.097 0.000 0.865 1282 V CB 2.007 33.859 31.823 0.048 0.000 0.995 1282 V HN 0.651 nan 8.190 nan 0.000 0.424 1283 V N 5.657 125.612 119.914 0.067 0.000 2.459 1283 V HA 0.496 4.619 4.120 0.005 0.000 0.295 1283 V C 0.004 176.126 176.094 0.046 0.000 1.029 1283 V CA -0.668 61.673 62.300 0.069 0.000 0.874 1283 V CB 1.818 33.706 31.823 0.109 0.000 0.985 1283 V HN 0.842 nan 8.190 nan 0.000 0.438 1284 M N 5.348 124.971 119.600 0.039 0.000 2.108 1284 M HA 0.497 4.980 4.480 0.005 0.000 0.347 1284 M C -0.473 176.018 176.300 0.317 0.000 1.326 1284 M CA 0.146 55.525 55.300 0.132 0.000 1.126 1284 M CB 0.783 33.373 32.600 -0.016 0.000 1.606 1284 M HN 0.609 nan 8.290 nan 0.000 0.462 1285 M N 2.651 122.429 119.600 0.297 0.000 2.578 1285 M HA 0.336 4.819 4.480 0.005 0.000 0.321 1285 M C -0.091 176.338 176.300 0.214 0.000 1.182 1285 M CA -0.206 55.276 55.300 0.303 0.000 0.965 1285 M CB 1.659 34.453 32.600 0.323 0.000 1.694 1285 M HN 0.442 nan 8.290 nan 0.000 0.461 1286 K N 3.243 123.633 120.400 -0.017 0.000 2.805 1286 K HA 0.231 4.554 4.320 0.005 0.000 0.227 1286 K C -1.372 175.178 176.600 -0.084 0.000 1.207 1286 K CA -0.236 55.778 56.287 -0.454 0.000 1.153 1286 K CB -0.024 31.833 32.500 -1.071 0.000 1.688 1286 K HN 0.736 nan 8.250 nan 0.000 0.467 1287 Y N 1.917 122.143 120.300 -0.123 0.000 2.996 1287 Y HA -0.228 4.325 4.550 0.005 0.000 0.347 1287 Y C 0.845 176.701 175.900 -0.073 0.000 1.276 1287 Y CA -0.489 57.584 58.100 -0.044 0.000 1.601 1287 Y CB 0.148 38.647 38.460 0.064 0.000 1.193 1287 Y HN 0.515 nan 8.280 nan 0.000 0.582 1288 D N 3.535 123.970 120.400 0.059 0.000 2.362 1288 D HA 0.338 4.981 4.640 0.005 0.000 0.242 1288 D C -0.236 176.095 176.300 0.053 0.000 1.132 1288 D CA -0.528 53.484 54.000 0.019 0.000 0.907 1288 D CB 0.913 41.705 40.800 -0.014 0.000 1.195 1288 D HN 0.470 nan 8.370 nan 0.000 0.429 1289 R N 0.265 120.787 120.500 0.038 0.000 2.535 1289 R HA 0.179 4.522 4.340 0.005 0.000 0.274 1289 R C -1.226 175.103 176.300 0.048 0.000 1.090 1289 R CA -0.900 55.228 56.100 0.047 0.000 0.930 1289 R CB 1.196 31.522 30.300 0.043 0.000 1.223 1289 R HN 0.291 nan 8.270 nan 0.000 0.441 1290 K N 2.884 123.329 120.400 0.074 0.000 2.234 1290 K HA 0.404 4.726 4.320 0.005 0.000 0.282 1290 K C -0.811 175.888 176.600 0.165 0.000 1.039 1290 K CA -0.458 55.910 56.287 0.135 0.000 0.928 1290 K CB 1.858 34.458 32.500 0.165 0.000 1.039 1290 K HN 0.322 nan 8.250 nan 0.000 0.470 1291 V N 4.503 124.479 119.914 0.102 0.000 3.012 1291 V HA 0.294 4.417 4.120 0.005 0.000 0.307 1291 V C -2.515 173.404 176.094 -0.293 0.000 1.166 1291 V CA -2.393 59.886 62.300 -0.035 0.000 0.974 1291 V CB 2.674 34.473 31.823 -0.040 0.000 1.040 1291 V HN 0.524 nan 8.190 nan 0.000 0.428 1292 P HA 0.115 nan 4.420 nan 0.000 0.265 1292 P C -0.681 176.442 177.300 -0.294 0.000 1.187 1292 P CA 0.590 63.322 63.100 -0.615 0.000 0.766 1292 P CB 0.486 31.891 31.700 -0.492 0.000 0.820 1293 S N 3.890 119.451 115.700 -0.232 0.000 2.646 1293 S HA 0.349 4.822 4.470 0.005 0.000 0.276 1293 S C -1.238 173.301 174.600 -0.102 0.000 1.222 1293 S CA -1.603 56.522 58.200 -0.125 0.000 1.014 1293 S CB -0.079 63.072 63.200 -0.082 0.000 0.991 1293 S HN 0.264 nan 8.310 nan 0.000 0.533 1294 P HA -0.106 nan 4.420 nan 0.000 0.218 1294 P C 1.060 178.334 177.300 -0.043 0.000 1.146 1294 P CA 1.498 64.567 63.100 -0.051 0.000 0.820 1294 P CB -0.196 31.483 31.700 -0.034 0.000 0.778 1295 T N -4.163 110.366 114.554 -0.041 0.000 3.044 1295 T HA 0.455 4.807 4.350 0.005 0.000 0.260 1295 T C 1.243 175.928 174.700 -0.025 0.000 1.019 1295 T CA 0.941 63.028 62.100 -0.022 0.000 0.921 1295 T CB -0.057 68.807 68.868 -0.006 0.000 1.053 1295 T HN 0.255 nan 8.240 nan 0.000 0.533 1296 G N 1.483 110.247 108.800 -0.060 0.000 2.659 1296 G HA2 -0.165 3.798 3.960 0.005 0.000 0.202 1296 G HA3 -0.165 3.798 3.960 0.005 0.000 0.202 1296 G C -0.383 174.473 174.900 -0.074 0.000 1.186 1296 G CA -0.163 44.895 45.100 -0.071 0.000 0.783 1296 G HN 0.628 nan 8.290 nan 0.000 0.521 1297 E N 1.252 121.442 120.200 -0.016 0.000 2.452 1297 E HA 0.407 4.760 4.350 0.005 0.000 0.261 1297 E C -0.397 176.199 176.600 -0.006 0.000 0.987 1297 E CA -0.212 56.211 56.400 0.038 0.000 0.926 1297 E CB 0.109 29.838 29.700 0.047 0.000 0.934 1297 E HN 0.434 nan 8.360 nan 0.000 0.452 1298 Y N 1.659 121.958 120.300 -0.002 0.000 2.569 1298 Y HA 0.146 4.698 4.550 0.005 0.000 0.332 1298 Y C 0.235 176.133 175.900 -0.004 0.000 1.120 1298 Y CA -0.107 57.990 58.100 -0.004 0.000 1.416 1298 Y CB 0.264 38.724 38.460 -0.000 0.000 1.210 1298 Y HN 0.220 nan 8.280 nan 0.000 0.528 1299 V N 3.256 123.202 119.914 0.053 0.000 2.815 1299 V HA 0.361 4.484 4.120 0.005 0.000 0.314 1299 V C -0.335 175.785 176.094 0.045 0.000 1.064 1299 V CA -1.975 60.350 62.300 0.043 0.000 0.952 1299 V CB 1.852 33.679 31.823 0.007 0.000 1.020 1299 V HN 0.441 nan 8.190 nan 0.000 0.439 1300 K N 2.502 122.923 120.400 0.034 0.000 2.382 1300 K HA 0.193 4.516 4.320 0.005 0.000 0.286 1300 K C -0.045 176.560 176.600 0.008 0.000 1.062 1300 K CA 0.471 56.771 56.287 0.022 0.000 1.000 1300 K CB 0.120 32.627 32.500 0.011 0.000 0.954 1300 K HN 0.757 nan 8.250 nan 0.000 0.470 1301 E N 5.914 126.118 120.200 0.007 0.000 2.373 1301 E HA 0.233 4.586 4.350 0.005 0.000 0.251 1301 E C -2.626 173.970 176.600 -0.006 0.000 0.923 1301 E CA -2.169 54.230 56.400 -0.002 0.000 0.798 1301 E CB 1.177 30.874 29.700 -0.005 0.000 1.303 1301 E HN 0.313 nan 8.360 nan 0.000 0.412 1302 P HA 0.250 nan 4.420 nan 0.000 0.287 1302 P C -1.117 176.136 177.300 -0.079 0.000 1.270 1302 P CA -0.344 62.725 63.100 -0.052 0.000 0.844 1302 P CB 1.290 32.933 31.700 -0.094 0.000 1.068 1303 E N 0.375 120.525 120.200 -0.084 0.000 2.392 1303 E HA 0.436 4.789 4.350 0.005 0.000 0.269 1303 E C -1.452 175.065 176.600 -0.138 0.000 0.924 1303 E CA -0.992 55.383 56.400 -0.042 0.000 0.784 1303 E CB 1.090 30.832 29.700 0.070 0.000 1.292 1303 E HN 0.294 nan 8.360 nan 0.000 0.447 1304 W N 1.453 122.786 121.300 0.055 0.000 2.335 1304 W HA 0.448 5.110 4.660 0.005 0.000 0.307 1304 W C -0.804 175.690 176.519 -0.041 0.000 1.117 1304 W CA -0.435 56.918 57.345 0.013 0.000 1.228 1304 W CB 1.645 31.109 29.460 0.006 0.000 1.240 1304 W HN 0.224 nan 8.180 nan 0.000 0.468 1305 V N 5.228 125.196 119.914 0.089 0.000 2.769 1305 V HA 0.493 4.616 4.120 0.005 0.000 0.312 1305 V C -0.075 175.925 176.094 -0.156 0.000 1.058 1305 V CA -1.209 60.967 62.300 -0.207 0.000 0.952 1305 V CB 1.720 33.069 31.823 -0.790 0.000 1.019 1305 V HN 0.270 nan 8.190 nan 0.000 0.445 1306 L N 2.904 124.000 121.223 -0.211 0.000 2.322 1306 L HA 0.659 5.001 4.340 0.005 0.000 0.281 1306 L C -0.359 176.432 176.870 -0.131 0.000 1.014 1306 L CA -0.429 54.339 54.840 -0.120 0.000 0.815 1306 L CB 1.870 43.878 42.059 -0.084 0.000 1.247 1306 L HN 0.635 nan 8.230 nan 0.000 0.421 1307 E N 1.264 121.437 120.200 -0.045 0.000 2.222 1307 E HA 0.486 4.839 4.350 0.005 0.000 0.267 1307 E C -1.176 175.439 176.600 0.026 0.000 0.884 1307 E CA -0.542 55.858 56.400 0.001 0.000 0.764 1307 E CB 2.657 32.393 29.700 0.060 0.000 1.169 1307 E HN 0.443 nan 8.360 nan 0.000 0.413 1308 T N 1.774 116.343 114.554 0.024 0.000 2.856 1308 T HA 0.255 4.608 4.350 0.005 0.000 0.283 1308 T C -0.946 173.773 174.700 0.031 0.000 1.008 1308 T CA -0.810 61.305 62.100 0.025 0.000 0.997 1308 T CB 0.989 69.861 68.868 0.007 0.000 0.992 1308 T HN 0.251 nan 8.240 nan 0.000 0.454 1309 D N 2.022 122.441 120.400 0.031 0.000 2.347 1309 D HA 0.544 5.187 4.640 0.005 0.000 0.235 1309 D C 0.607 176.912 176.300 0.009 0.000 1.149 1309 D CA 0.811 54.825 54.000 0.022 0.000 0.850 1309 D CB 0.723 41.536 40.800 0.023 0.000 1.061 1309 D HN 0.959 nan 8.370 nan 0.000 0.487 1310 G N 0.554 109.354 108.800 -0.000 0.000 2.629 1310 G HA2 -0.008 3.955 3.960 0.005 0.000 0.686 1310 G HA3 -0.008 3.955 3.960 0.005 0.000 0.686 1310 G C -1.283 173.603 174.900 -0.024 0.000 1.232 1310 G CA -0.947 44.143 45.100 -0.016 0.000 0.803 1310 G HN 0.419 nan 8.290 nan 0.000 0.638 1311 V N 1.701 121.594 119.914 -0.037 0.000 2.525 1311 V HA 0.678 4.801 4.120 0.005 0.000 0.299 1311 V C 0.140 176.206 176.094 -0.046 0.000 1.034 1311 V CA -0.517 61.758 62.300 -0.042 0.000 0.863 1311 V CB 1.844 33.636 31.823 -0.052 0.000 0.999 1311 V HN 0.888 nan 8.190 nan 0.000 0.423 1312 N N 4.096 122.772 118.700 -0.040 0.000 2.675 1312 N HA 0.205 4.948 4.740 0.005 0.000 0.254 1312 N C 0.547 176.040 175.510 -0.028 0.000 1.224 1312 N CA -0.422 52.606 53.050 -0.037 0.000 0.777 1312 N CB 1.322 39.785 38.487 -0.039 0.000 1.256 1312 N HN 0.624 nan 8.380 nan 0.000 0.531 1313 L N 3.334 124.539 121.223 -0.030 0.000 2.072 1313 L HA -0.054 4.289 4.340 0.005 0.000 0.205 1313 L C 2.341 179.205 176.870 -0.009 0.000 1.079 1313 L CA 2.048 56.876 54.840 -0.020 0.000 0.752 1313 L CB -0.611 41.431 42.059 -0.027 0.000 0.906 1313 L HN 0.591 nan 8.230 nan 0.000 0.436 1314 S N -0.663 115.030 115.700 -0.013 0.000 2.409 1314 S HA -0.309 4.164 4.470 0.005 0.000 0.237 1314 S C 1.618 176.216 174.600 -0.003 0.000 1.060 1314 S CA 2.050 60.245 58.200 -0.007 0.000 1.052 1314 S CB -0.732 62.461 63.200 -0.012 0.000 0.871 1314 S HN 0.759 nan 8.310 nan 0.000 0.465 1315 E N -0.192 120.005 120.200 -0.006 0.000 2.434 1315 E HA 0.205 4.557 4.350 0.005 0.000 0.207 1315 E C 1.759 178.360 176.600 0.001 0.000 0.929 1315 E CA 0.419 56.817 56.400 -0.002 0.000 1.001 1315 E CB 0.297 29.993 29.700 -0.006 0.000 1.016 1315 E HN 0.427 nan 8.360 nan 0.000 0.502 1316 V N 2.529 122.443 119.914 0.000 0.000 2.951 1316 V HA -0.159 3.964 4.120 0.005 0.000 0.255 1316 V C 2.442 178.542 176.094 0.010 0.000 1.088 1316 V CA 1.412 63.713 62.300 0.003 0.000 1.109 1316 V CB -0.485 31.337 31.823 -0.003 0.000 0.724 1316 V HN 0.356 nan 8.190 nan 0.000 0.471 1317 M N 0.908 120.517 119.600 0.015 0.000 2.288 1317 M HA -0.054 4.428 4.480 0.005 0.000 0.266 1317 M C 2.089 178.403 176.300 0.024 0.000 1.072 1317 M CA 2.085 57.401 55.300 0.026 0.000 1.132 1317 M CB -1.133 31.486 32.600 0.032 0.000 1.386 1317 M HN 0.323 nan 8.290 nan 0.000 0.432 1318 T N -0.653 113.910 114.554 0.017 0.000 3.051 1318 T HA 0.133 4.486 4.350 0.005 0.000 0.269 1318 T C 0.733 175.441 174.700 0.014 0.000 1.127 1318 T CA 0.047 62.156 62.100 0.015 0.000 1.107 1318 T CB -1.103 67.771 68.868 0.010 0.000 0.898 1318 T HN 0.248 nan 8.240 nan 0.000 0.517 1319 V N 4.351 124.273 119.914 0.014 0.000 2.901 1319 V HA 0.185 4.308 4.120 0.005 0.000 0.307 1319 V C -1.438 174.666 176.094 0.017 0.000 1.084 1319 V CA -1.511 60.796 62.300 0.012 0.000 1.184 1319 V CB 0.240 32.068 31.823 0.009 0.000 0.941 1319 V HN 0.440 nan 8.190 nan 0.000 0.493 1320 P HA 0.264 nan 4.420 nan 0.000 0.274 1320 P C 0.784 178.098 177.300 0.022 0.000 1.237 1320 P CA 0.770 63.881 63.100 0.019 0.000 0.793 1320 P CB 0.920 32.627 31.700 0.011 0.000 0.977 1321 G N 0.547 109.369 108.800 0.037 0.000 2.253 1321 G HA2 -0.214 3.749 3.960 0.005 0.000 0.251 1321 G HA3 -0.214 3.749 3.960 0.005 0.000 0.251 1321 G C 0.240 175.181 174.900 0.069 0.000 0.998 1321 G CA 0.354 45.483 45.100 0.049 0.000 0.621 1321 G HN 0.768 nan 8.290 nan 0.000 0.524 1322 I N -0.856 119.750 120.570 0.060 0.000 3.217 1322 I HA 0.783 4.956 4.170 0.005 0.000 0.308 1322 I C -1.370 174.796 176.117 0.081 0.000 1.091 1322 I CA -0.761 60.583 61.300 0.073 0.000 1.013 1322 I CB 1.911 39.945 38.000 0.057 0.000 1.250 1322 I HN -0.069 nan 8.210 nan 0.000 0.496 1323 D N 4.114 124.576 120.400 0.103 0.000 2.499 1323 D HA 0.369 5.012 4.640 0.005 0.000 0.225 1323 D C -1.820 174.543 176.300 0.104 0.000 1.124 1323 D CA -2.283 51.777 54.000 0.099 0.000 0.938 1323 D CB 0.877 41.747 40.800 0.118 0.000 1.014 1323 D HN 0.331 nan 8.370 nan 0.000 0.517 1324 P HA -0.038 nan 4.420 nan 0.000 0.239 1324 P C 1.017 178.364 177.300 0.078 0.000 1.184 1324 P CA 0.423 63.567 63.100 0.073 0.000 0.760 1324 P CB 0.491 32.222 31.700 0.051 0.000 0.884 1325 T N -0.494 114.107 114.554 0.077 0.000 3.044 1325 T HA 0.141 4.494 4.350 0.005 0.000 0.255 1325 T C 1.546 176.297 174.700 0.084 0.000 1.073 1325 T CA 0.581 62.718 62.100 0.062 0.000 1.125 1325 T CB 0.017 68.906 68.868 0.033 0.000 0.908 1325 T HN 0.147 nan 8.240 nan 0.000 0.480 1326 R N 0.109 120.684 120.500 0.125 0.000 2.472 1326 R HA 0.420 4.763 4.340 0.005 0.000 0.279 1326 R C 0.228 176.768 176.300 0.401 0.000 0.953 1326 R CA -0.214 55.987 56.100 0.168 0.000 1.088 1326 R CB 0.525 30.838 30.300 0.021 0.000 1.197 1326 R HN 0.336 nan 8.270 nan 0.000 0.536 1327 I N 1.124 121.878 120.570 0.307 0.000 2.696 1327 I HA -0.008 4.164 4.170 0.005 0.000 0.284 1327 I C -0.812 175.500 176.117 0.324 0.000 1.129 1327 I CA 0.093 61.556 61.300 0.273 0.000 1.410 1327 I CB 0.462 38.547 38.000 0.141 0.000 1.399 1327 I HN -0.003 nan 8.210 nan 0.000 0.579 1328 Y N 4.885 125.255 120.300 0.117 0.000 2.492 1328 Y HA 0.426 4.978 4.550 0.005 0.000 0.346 1328 Y C -0.478 175.467 175.900 0.075 0.000 0.997 1328 Y CA -0.733 57.440 58.100 0.122 0.000 1.025 1328 Y CB 1.887 40.458 38.460 0.185 0.000 1.263 1328 Y HN 0.597 nan 8.280 nan 0.000 0.454 1329 T N 0.965 115.182 114.554 -0.562 0.000 2.887 1329 T HA 0.234 4.587 4.350 0.005 0.000 0.288 1329 T C 0.474 174.795 174.700 -0.632 0.000 1.021 1329 T CA -0.703 61.156 62.100 -0.400 0.000 1.000 1329 T CB 1.411 70.136 68.868 -0.238 0.000 1.034 1329 T HN 0.668 nan 8.240 nan 0.000 0.467 1330 N N 0.661 119.261 118.700 -0.167 0.000 2.309 1330 N HA -0.101 4.642 4.740 0.005 0.000 0.182 1330 N C 0.878 176.405 175.510 0.028 0.000 1.018 1330 N CA 0.604 53.662 53.050 0.014 0.000 0.876 1330 N CB -0.369 38.199 38.487 0.136 0.000 0.972 1330 N HN 0.551 nan 8.380 nan 0.000 0.434 1331 S N -0.058 115.606 115.700 -0.061 0.000 2.506 1331 S HA 0.021 4.493 4.470 0.005 0.000 0.291 1331 S C 0.451 174.996 174.600 -0.091 0.000 1.230 1331 S CA -0.717 57.421 58.200 -0.104 0.000 1.107 1331 S CB -0.613 62.507 63.200 -0.134 0.000 0.942 1331 S HN 0.411 nan 8.310 nan 0.000 0.502 1332 F N 4.337 124.258 119.950 -0.048 0.000 2.749 1332 F HA 0.407 4.936 4.527 0.005 0.000 0.300 1332 F C 1.265 177.063 175.800 -0.004 0.000 1.103 1332 F CA -0.384 57.602 58.000 -0.022 0.000 1.342 1332 F CB -0.114 38.911 39.000 0.042 0.000 1.098 1332 F HN 0.485 nan 8.300 nan 0.000 0.586 1333 I N 1.562 121.767 120.570 -0.608 0.000 2.876 1333 I HA -0.069 4.104 4.170 0.005 0.000 0.264 1333 I C 0.868 176.874 176.117 -0.185 0.000 1.204 1333 I CA 1.042 62.068 61.300 -0.458 0.000 1.485 1333 I CB -0.743 36.913 38.000 -0.573 0.000 1.103 1333 I HN 0.125 nan 8.210 nan 0.000 0.446 1334 D N 0.090 120.401 120.400 -0.147 0.000 2.201 1334 D HA -0.010 4.633 4.640 0.005 0.000 0.209 1334 D C 2.362 178.639 176.300 -0.038 0.000 0.961 1334 D CA 0.491 54.441 54.000 -0.082 0.000 0.861 1334 D CB 0.306 41.055 40.800 -0.085 0.000 0.997 1334 D HN 0.058 nan 8.370 nan 0.000 0.486 1335 I N 0.972 121.526 120.570 -0.027 0.000 2.087 1335 I HA -0.304 3.869 4.170 0.005 0.000 0.240 1335 I C 2.363 178.509 176.117 0.049 0.000 1.054 1335 I CA 1.260 62.574 61.300 0.024 0.000 1.311 1335 I CB -0.616 37.422 38.000 0.062 0.000 1.024 1335 I HN 0.214 nan 8.210 nan 0.000 0.402 1336 M N 0.489 120.130 119.600 0.068 0.000 2.089 1336 M HA -0.268 4.215 4.480 0.005 0.000 0.257 1336 M C 2.151 178.473 176.300 0.037 0.000 1.071 1336 M CA 1.947 57.289 55.300 0.071 0.000 1.096 1336 M CB -0.694 31.959 32.600 0.088 0.000 1.330 1336 M HN 0.289 nan 8.290 nan 0.000 0.403 1337 E N -1.103 119.104 120.200 0.010 0.000 2.031 1337 E HA -0.173 4.180 4.350 0.005 0.000 0.193 1337 E C 1.975 178.581 176.600 0.010 0.000 0.994 1337 E CA 1.587 57.990 56.400 0.004 0.000 0.800 1337 E CB -0.004 29.687 29.700 -0.015 0.000 0.752 1337 E HN 0.360 nan 8.360 nan 0.000 0.447 1338 V N 1.054 120.973 119.914 0.009 0.000 2.302 1338 V HA -0.154 3.969 4.120 0.005 0.000 0.243 1338 V C 1.935 178.043 176.094 0.024 0.000 1.036 1338 V CA 1.284 63.592 62.300 0.013 0.000 1.020 1338 V CB -0.183 31.645 31.823 0.009 0.000 0.657 1338 V HN 0.230 nan 8.190 nan 0.000 0.453 1339 L N 0.195 121.439 121.223 0.035 0.000 2.741 1339 L HA 0.548 4.891 4.340 0.005 0.000 0.237 1339 L C 0.946 177.844 176.870 0.047 0.000 1.178 1339 L CA 0.336 55.202 54.840 0.043 0.000 0.973 1339 L CB -0.740 41.353 42.059 0.056 0.000 1.255 1339 L HN 0.474 nan 8.230 nan 0.000 0.498 1340 G N 0.944 109.771 108.800 0.044 0.000 2.828 1340 G HA2 -0.296 3.667 3.960 0.005 0.000 0.463 1340 G HA3 -0.296 3.667 3.960 0.005 0.000 0.463 1340 G C 0.223 175.159 174.900 0.060 0.000 1.394 1340 G CA -0.040 45.088 45.100 0.047 0.000 0.862 1340 G HN 0.076 nan 8.290 nan 0.000 0.540 1341 I N -0.045 120.560 120.570 0.059 0.000 2.252 1341 I HA 0.010 4.183 4.170 0.005 0.000 0.245 1341 I C 2.428 178.589 176.117 0.073 0.000 1.102 1341 I CA 2.513 63.855 61.300 0.070 0.000 1.385 1341 I CB -0.221 37.818 38.000 0.065 0.000 1.064 1341 I HN 0.627 nan 8.210 nan 0.000 0.414 1342 E N 0.735 120.971 120.200 0.060 0.000 2.077 1342 E HA -0.169 4.184 4.350 0.005 0.000 0.193 1342 E C 2.201 178.839 176.600 0.063 0.000 0.989 1342 E CA 1.425 57.858 56.400 0.055 0.000 0.800 1342 E CB -0.419 29.305 29.700 0.040 0.000 0.746 1342 E HN 0.607 nan 8.360 nan 0.000 0.452 1343 A N 0.553 123.414 122.820 0.069 0.000 2.066 1343 A HA 0.020 4.343 4.320 0.005 0.000 0.218 1343 A C 2.316 179.973 177.584 0.121 0.000 1.157 1343 A CA 1.431 53.520 52.037 0.087 0.000 0.670 1343 A CB -0.582 18.468 19.000 0.084 0.000 0.804 1343 A HN 0.308 nan 8.150 nan 0.000 0.453 1344 G N -0.175 108.697 108.800 0.120 0.000 2.414 1344 G HA2 -0.232 3.731 3.960 0.005 0.000 0.215 1344 G HA3 -0.232 3.731 3.960 0.005 0.000 0.215 1344 G C 1.722 176.716 174.900 0.158 0.000 1.188 1344 G CA 0.864 46.061 45.100 0.162 0.000 0.783 1344 G HN 0.509 nan 8.290 nan 0.000 0.537 1345 R N 0.840 121.409 120.500 0.115 0.000 2.112 1345 R HA -0.139 4.204 4.340 0.005 0.000 0.242 1345 R C 2.774 179.135 176.300 0.102 0.000 1.137 1345 R CA 1.929 58.083 56.100 0.090 0.000 0.944 1345 R CB -0.704 29.636 30.300 0.067 0.000 0.857 1345 R HN 0.261 nan 8.270 nan 0.000 0.435 1346 A N 0.159 123.037 122.820 0.097 0.000 2.032 1346 A HA -0.119 4.204 4.320 0.005 0.000 0.221 1346 A C 2.173 179.869 177.584 0.187 0.000 1.165 1346 A CA 1.940 54.037 52.037 0.101 0.000 0.645 1346 A CB -0.461 18.579 19.000 0.067 0.000 0.807 1346 A HN 0.612 nan 8.150 nan 0.000 0.453 1347 A N -1.391 121.558 122.820 0.215 0.000 2.115 1347 A HA 0.339 4.662 4.320 0.005 0.000 0.211 1347 A C 1.890 179.601 177.584 0.211 0.000 1.169 1347 A CA 0.866 53.090 52.037 0.312 0.000 0.787 1347 A CB -0.316 18.910 19.000 0.376 0.000 0.858 1347 A HN 0.618 nan 8.150 nan 0.000 0.474 1348 L N -1.251 119.998 121.223 0.044 0.000 2.141 1348 L HA -0.060 4.283 4.340 0.005 0.000 0.209 1348 L C 2.128 178.917 176.870 -0.136 0.000 1.094 1348 L CA 2.155 56.800 54.840 -0.324 0.000 0.763 1348 L CB -0.779 41.063 42.059 -0.361 0.000 0.908 1348 L HN 0.537 nan 8.230 nan 0.000 0.437 1349 Y N -0.228 120.031 120.300 -0.069 0.000 2.184 1349 Y HA -0.165 4.388 4.550 0.005 0.000 0.290 1349 Y C 2.537 178.481 175.900 0.073 0.000 1.129 1349 Y CA 1.652 59.743 58.100 -0.015 0.000 1.144 1349 Y CB -0.153 38.305 38.460 -0.003 0.000 0.995 1349 Y HN 0.025 nan 8.280 nan 0.000 0.513 1350 K N 0.760 121.380 120.400 0.366 0.000 2.160 1350 K HA -0.250 4.073 4.320 0.005 0.000 0.206 1350 K C 1.725 178.447 176.600 0.203 0.000 1.047 1350 K CA 2.000 58.478 56.287 0.320 0.000 0.930 1350 K CB -0.113 32.547 32.500 0.267 0.000 0.720 1350 K HN 0.422 nan 8.250 nan 0.000 0.450 1351 E N -0.465 119.813 120.200 0.130 0.000 2.122 1351 E HA -0.018 4.335 4.350 0.005 0.000 0.190 1351 E C 1.920 178.515 176.600 -0.009 0.000 0.977 1351 E CA 0.413 56.872 56.400 0.098 0.000 0.820 1351 E CB 0.071 29.832 29.700 0.102 0.000 0.770 1351 E HN -0.031 nan 8.360 nan 0.000 0.462 1352 V N 0.604 120.452 119.914 -0.111 0.000 2.295 1352 V HA -0.267 3.855 4.120 0.005 0.000 0.246 1352 V C 2.065 178.061 176.094 -0.163 0.000 1.049 1352 V CA 2.078 64.287 62.300 -0.152 0.000 1.024 1352 V CB -0.632 31.070 31.823 -0.202 0.000 0.648 1352 V HN 0.406 nan 8.190 nan 0.000 0.447 1353 Y N 1.356 121.420 120.300 -0.393 0.000 2.151 1353 Y HA -0.276 4.277 4.550 0.005 0.000 0.284 1353 Y C 2.464 178.297 175.900 -0.111 0.000 1.166 1353 Y CA 2.208 60.116 58.100 -0.320 0.000 1.163 1353 Y CB -0.461 37.743 38.460 -0.427 0.000 0.974 1353 Y HN 0.252 nan 8.280 nan 0.000 0.511 1354 N N -0.063 118.583 118.700 -0.091 0.000 2.453 1354 N HA -0.138 4.605 4.740 0.005 0.000 0.183 1354 N C 1.712 177.140 175.510 -0.137 0.000 1.041 1354 N CA 1.067 54.049 53.050 -0.113 0.000 0.900 1354 N CB 0.024 38.552 38.487 0.068 0.000 0.961 1354 N HN 0.355 nan 8.380 nan 0.000 0.443 1355 V N 1.432 121.275 119.914 -0.119 0.000 2.273 1355 V HA -0.173 3.949 4.120 0.005 0.000 0.242 1355 V C 2.292 178.316 176.094 -0.116 0.000 1.035 1355 V CA 0.870 63.118 62.300 -0.086 0.000 1.013 1355 V CB -0.230 31.559 31.823 -0.058 0.000 0.652 1355 V HN 0.143 nan 8.190 nan 0.000 0.452 1356 I N 1.126 121.604 120.570 -0.153 0.000 2.118 1356 I HA -0.276 3.897 4.170 0.005 0.000 0.241 1356 I C 2.702 178.712 176.117 -0.178 0.000 1.070 1356 I CA 2.186 63.398 61.300 -0.147 0.000 1.327 1356 I CB -2.038 35.873 38.000 -0.147 0.000 1.034 1356 I HN 0.301 nan 8.210 nan 0.000 0.405 1357 A N 1.063 123.679 122.820 -0.339 0.000 1.877 1357 A HA -0.210 4.113 4.320 0.005 0.000 0.216 1357 A C 2.527 180.015 177.584 -0.160 0.000 1.186 1357 A CA 2.704 54.550 52.037 -0.317 0.000 0.620 1357 A CB -1.169 17.453 19.000 -0.632 0.000 0.822 1357 A HN 0.576 nan 8.150 nan 0.000 0.443 1358 S N -0.239 115.377 115.700 -0.140 0.000 2.423 1358 S HA -0.247 4.226 4.470 0.005 0.000 0.238 1358 S C 1.212 175.784 174.600 -0.047 0.000 1.028 1358 S CA 1.981 60.140 58.200 -0.068 0.000 1.000 1358 S CB -0.622 62.551 63.200 -0.045 0.000 0.797 1358 S HN 0.564 nan 8.310 nan 0.000 0.487 1359 D N 0.261 120.628 120.400 -0.054 0.000 2.340 1359 D HA 0.372 5.015 4.640 0.005 0.000 0.220 1359 D C 1.428 177.716 176.300 -0.019 0.000 1.039 1359 D CA 0.859 54.841 54.000 -0.031 0.000 0.866 1359 D CB 0.019 40.800 40.800 -0.031 0.000 0.913 1359 D HN 0.559 nan 8.370 nan 0.000 0.523 1360 G N -0.462 108.323 108.800 -0.025 0.000 2.345 1360 G HA2 -0.288 3.674 3.960 0.005 0.000 0.218 1360 G HA3 -0.288 3.674 3.960 0.005 0.000 0.218 1360 G C 0.751 175.660 174.900 0.015 0.000 1.058 1360 G CA 0.164 45.261 45.100 -0.005 0.000 0.632 1360 G HN 0.335 nan 8.290 nan 0.000 0.508 1361 S N -0.270 115.439 115.700 0.015 0.000 2.598 1361 S HA 0.515 4.988 4.470 0.005 0.000 0.256 1361 S C -0.370 174.303 174.600 0.121 0.000 1.350 1361 S CA 0.886 59.117 58.200 0.051 0.000 0.984 1361 S CB 1.045 64.257 63.200 0.019 0.000 0.930 1361 S HN 1.331 nan 8.310 nan 0.000 0.577 1362 Y N -0.066 120.241 120.300 0.010 0.000 2.298 1362 Y HA 0.512 5.065 4.550 0.005 0.000 0.322 1362 Y C -1.526 174.427 175.900 0.088 0.000 1.138 1362 Y CA -0.759 57.373 58.100 0.053 0.000 1.127 1362 Y CB 0.439 38.943 38.460 0.073 0.000 1.178 1362 Y HN 0.349 nan 8.280 nan 0.000 0.428 1363 V N 5.824 125.534 119.914 -0.340 0.000 2.472 1363 V HA 0.284 4.407 4.120 0.005 0.000 0.290 1363 V C 0.050 175.868 176.094 -0.460 0.000 1.037 1363 V CA -0.913 61.184 62.300 -0.338 0.000 0.908 1363 V CB 1.572 33.347 31.823 -0.079 0.000 0.985 1363 V HN 0.850 nan 8.190 nan 0.000 0.454 1364 N N 2.047 120.542 118.700 -0.341 0.000 2.441 1364 N HA -0.039 4.703 4.740 0.005 0.000 0.251 1364 N C 0.758 176.247 175.510 -0.035 0.000 1.242 1364 N CA 0.190 53.118 53.050 -0.204 0.000 0.898 1364 N CB 0.269 38.683 38.487 -0.121 0.000 1.100 1364 N HN 0.691 nan 8.380 nan 0.000 0.443 1365 Y N 3.551 123.862 120.300 0.019 0.000 2.315 1365 Y HA -0.213 4.340 4.550 0.005 0.000 0.288 1365 Y C 1.940 177.823 175.900 -0.028 0.000 1.154 1365 Y CA 1.721 59.888 58.100 0.112 0.000 1.229 1365 Y CB 0.085 38.629 38.460 0.140 0.000 0.980 1365 Y HN 0.692 nan 8.280 nan 0.000 0.540 1366 R N -1.154 119.219 120.500 -0.212 0.000 2.189 1366 R HA -0.128 4.215 4.340 0.005 0.000 0.223 1366 R C 1.422 177.525 176.300 -0.328 0.000 1.092 1366 R CA 1.514 57.392 56.100 -0.370 0.000 0.989 1366 R CB -0.850 29.132 30.300 -0.531 0.000 0.876 1366 R HN 0.448 nan 8.270 nan 0.000 0.457 1367 H N 1.275 120.301 119.070 -0.074 0.000 2.306 1367 H HA 0.126 4.685 4.556 0.005 0.000 0.307 1367 H C 2.270 177.549 175.328 -0.082 0.000 1.061 1367 H CA 1.393 57.416 56.048 -0.042 0.000 1.359 1367 H CB -0.360 29.383 29.762 -0.032 0.000 1.407 1367 H HN 0.134 nan 8.280 nan 0.000 0.517 1368 M N 0.691 120.305 119.600 0.024 0.000 2.108 1368 M HA -0.125 4.357 4.480 0.005 0.000 0.261 1368 M C 2.727 179.021 176.300 -0.010 0.000 1.066 1368 M CA 1.448 56.732 55.300 -0.027 0.000 1.107 1368 M CB -0.338 32.212 32.600 -0.085 0.000 1.356 1368 M HN 0.254 nan 8.290 nan 0.000 0.406 1369 A N 0.681 123.383 122.820 -0.197 0.000 1.873 1369 A HA -0.218 4.104 4.320 0.005 0.000 0.218 1369 A C 2.120 179.632 177.584 -0.120 0.000 1.193 1369 A CA 1.853 53.709 52.037 -0.301 0.000 0.629 1369 A CB -1.006 17.546 19.000 -0.746 0.000 0.826 1369 A HN 0.464 nan 8.150 nan 0.000 0.447 1370 L N -0.679 120.493 121.223 -0.085 0.000 2.042 1370 L HA -0.153 4.190 4.340 0.005 0.000 0.210 1370 L C 2.267 179.128 176.870 -0.015 0.000 1.076 1370 L CA 2.325 57.159 54.840 -0.010 0.000 0.749 1370 L CB -0.674 41.423 42.059 0.065 0.000 0.893 1370 L HN 0.425 nan 8.230 nan 0.000 0.432 1371 L N -1.297 119.913 121.223 -0.023 0.000 1.976 1371 L HA -0.123 4.220 4.340 0.005 0.000 0.209 1371 L C 2.395 179.246 176.870 -0.032 0.000 1.071 1371 L CA 1.984 56.799 54.840 -0.042 0.000 0.746 1371 L CB -1.017 41.009 42.059 -0.056 0.000 0.890 1371 L HN 0.069 nan 8.230 nan 0.000 0.432 1372 V N 0.477 120.381 119.914 -0.017 0.000 2.282 1372 V HA -0.346 3.777 4.120 0.005 0.000 0.249 1372 V C 2.378 178.476 176.094 0.008 0.000 1.057 1372 V CA 2.244 64.544 62.300 0.002 0.000 1.032 1372 V CB -0.846 31.013 31.823 0.060 0.000 0.645 1372 V HN 0.541 nan 8.190 nan 0.000 0.447 1373 D N -0.648 119.753 120.400 0.002 0.000 2.182 1373 D HA -0.137 4.506 4.640 0.005 0.000 0.201 1373 D C 2.041 178.344 176.300 0.006 0.000 0.986 1373 D CA 1.228 55.233 54.000 0.008 0.000 0.847 1373 D CB -0.068 40.734 40.800 0.002 0.000 0.942 1373 D HN 0.349 nan 8.370 nan 0.000 0.467 1374 V N 0.682 120.592 119.914 -0.006 0.000 2.719 1374 V HA -0.114 4.009 4.120 0.005 0.000 0.252 1374 V C 2.236 178.335 176.094 0.008 0.000 1.065 1374 V CA 0.820 63.114 62.300 -0.010 0.000 1.086 1374 V CB -0.130 31.670 31.823 -0.038 0.000 0.700 1374 V HN 0.180 nan 8.190 nan 0.000 0.467 1375 M N -1.527 118.081 119.600 0.014 0.000 2.288 1375 M HA -0.084 4.399 4.480 0.005 0.000 0.266 1375 M C 1.996 178.332 176.300 0.059 0.000 1.072 1375 M CA 1.548 56.873 55.300 0.042 0.000 1.132 1375 M CB -0.395 32.228 32.600 0.040 0.000 1.386 1375 M HN 0.188 nan 8.290 nan 0.000 0.432 1376 T N -0.104 114.480 114.554 0.050 0.000 3.060 1376 T HA 0.020 4.373 4.350 0.005 0.000 0.249 1376 T C 1.706 176.440 174.700 0.056 0.000 1.079 1376 T CA 1.186 63.322 62.100 0.061 0.000 1.013 1376 T CB 0.004 68.907 68.868 0.058 0.000 0.975 1376 T HN 0.510 nan 8.240 nan 0.000 0.518 1377 T N -0.908 113.673 114.554 0.045 0.000 3.057 1377 T HA 0.125 4.477 4.350 0.005 0.000 0.254 1377 T C 1.748 176.474 174.700 0.044 0.000 1.094 1377 T CA 0.202 62.327 62.100 0.041 0.000 1.088 1377 T CB -0.081 68.800 68.868 0.022 0.000 0.934 1377 T HN 0.249 nan 8.240 nan 0.000 0.497 1378 Q N 0.912 120.741 119.800 0.048 0.000 2.226 1378 Q HA 0.118 4.461 4.340 0.005 0.000 0.204 1378 Q C 1.969 178.000 176.000 0.051 0.000 0.975 1378 Q CA 1.425 57.257 55.803 0.049 0.000 0.866 1378 Q CB -0.177 28.594 28.738 0.055 0.000 0.915 1378 Q HN 0.828 nan 8.270 nan 0.000 0.440 1379 G N -1.074 107.759 108.800 0.056 0.000 3.033 1379 G HA2 -0.152 3.810 3.960 0.005 0.000 0.196 1379 G HA3 -0.152 3.810 3.960 0.005 0.000 0.196 1379 G C 0.301 175.237 174.900 0.060 0.000 1.078 1379 G CA -0.297 44.837 45.100 0.055 0.000 0.805 1379 G HN 0.562 nan 8.290 nan 0.000 0.472 1380 G N -0.247 108.591 108.800 0.063 0.000 2.795 1380 G HA2 0.657 4.620 3.960 0.005 0.000 0.267 1380 G HA3 0.657 4.620 3.960 0.005 0.000 0.267 1380 G C -0.329 174.625 174.900 0.089 0.000 1.362 1380 G CA -0.919 44.224 45.100 0.070 0.000 1.048 1380 G HN 0.642 nan 8.290 nan 0.000 0.547 1381 L N 0.623 121.910 121.223 0.106 0.000 2.319 1381 L HA 0.352 4.695 4.340 0.005 0.000 0.280 1381 L C -0.088 176.855 176.870 0.122 0.000 1.099 1381 L CA -0.108 54.817 54.840 0.141 0.000 0.828 1381 L CB 1.298 43.481 42.059 0.206 0.000 1.150 1381 L HN 0.264 nan 8.230 nan 0.000 0.442 1382 T N 1.298 115.924 114.554 0.120 0.000 3.060 1382 T HA 0.221 4.573 4.350 0.005 0.000 0.367 1382 T C 0.306 175.089 174.700 0.139 0.000 1.229 1382 T CA -0.675 61.496 62.100 0.117 0.000 1.104 1382 T CB 0.672 69.603 68.868 0.104 0.000 1.083 1382 T HN 0.723 nan 8.240 nan 0.000 0.524 1383 S N 1.410 117.201 115.700 0.153 0.000 2.580 1383 S HA 0.183 4.656 4.470 0.005 0.000 0.261 1383 S C 0.739 175.459 174.600 0.200 0.000 1.366 1383 S CA -0.769 57.528 58.200 0.161 0.000 0.996 1383 S CB 0.309 63.609 63.200 0.165 0.000 0.902 1383 S HN 0.395 nan 8.310 nan 0.000 0.566 1384 V N 1.854 121.867 119.914 0.165 0.000 2.224 1384 V HA 0.329 4.452 4.120 0.005 0.000 0.289 1384 V C 0.198 176.465 176.094 0.287 0.000 1.518 1384 V CA -0.267 62.155 62.300 0.203 0.000 1.533 1384 V CB -1.513 30.288 31.823 -0.036 0.000 1.460 1384 V HN 1.026 nan 8.190 nan 0.000 0.515 1385 T N -0.332 114.403 114.554 0.301 0.000 2.654 1385 T HA 0.353 4.706 4.350 0.005 0.000 0.289 1385 T C 1.132 175.787 174.700 -0.074 0.000 1.062 1385 T CA -0.851 61.348 62.100 0.164 0.000 1.041 1385 T CB 1.569 70.440 68.868 0.005 0.000 1.417 1385 T HN 0.397 nan 8.240 nan 0.000 0.510 1386 R N 0.187 120.627 120.500 -0.099 0.000 2.237 1386 R HA -0.086 4.256 4.340 0.005 0.000 0.219 1386 R C 1.206 177.397 176.300 -0.182 0.000 1.080 1386 R CA 1.277 57.264 56.100 -0.189 0.000 0.995 1386 R CB -0.594 29.608 30.300 -0.163 0.000 0.875 1386 R HN 0.570 nan 8.270 nan 0.000 0.462 1387 H N 1.065 120.122 119.070 -0.021 0.000 2.294 1387 H HA 0.131 4.690 4.556 0.005 0.000 0.306 1387 H C 2.002 177.319 175.328 -0.019 0.000 1.065 1387 H CA 1.122 57.164 56.048 -0.010 0.000 1.343 1387 H CB -0.938 28.841 29.762 0.027 0.000 1.396 1387 H HN 0.332 nan 8.280 nan 0.000 0.506 1388 G N 1.193 110.078 108.800 0.142 0.000 2.474 1388 G HA2 -0.201 3.762 3.960 0.005 0.000 0.157 1388 G HA3 -0.201 3.762 3.960 0.005 0.000 0.157 1388 G C 1.394 176.310 174.900 0.027 0.000 1.720 1388 G CA 0.914 46.086 45.100 0.120 0.000 0.931 1388 G HN 0.433 nan 8.290 nan 0.000 0.376 1389 F N 0.501 120.438 119.950 -0.020 0.000 2.202 1389 F HA -0.014 4.515 4.527 0.005 0.000 0.301 1389 F C 1.731 177.504 175.800 -0.045 0.000 1.082 1389 F CA 1.367 59.336 58.000 -0.052 0.000 1.313 1389 F CB -0.556 38.375 39.000 -0.116 0.000 1.024 1389 F HN 0.141 nan 8.300 nan 0.000 0.495 1390 N N 0.636 118.751 118.700 -0.975 0.000 2.413 1390 N HA 0.019 4.762 4.740 0.005 0.000 0.207 1390 N C 1.305 176.676 175.510 -0.232 0.000 1.206 1390 N CA 0.210 52.872 53.050 -0.646 0.000 0.832 1390 N CB -0.232 37.830 38.487 -0.708 0.000 1.037 1390 N HN 0.614 nan 8.380 nan 0.000 0.467 1391 R N -1.842 118.575 120.500 -0.138 0.000 2.254 1391 R HA 0.196 4.539 4.340 0.005 0.000 0.193 1391 R C 0.353 176.642 176.300 -0.019 0.000 0.929 1391 R CA 0.409 56.479 56.100 -0.050 0.000 1.038 1391 R CB -0.253 30.039 30.300 -0.014 0.000 1.009 1391 R HN 0.038 nan 8.270 nan 0.000 0.512 1392 S N 2.549 118.245 115.700 -0.006 0.000 3.266 1392 S HA 0.104 4.577 4.470 0.005 0.000 0.209 1392 S C 0.021 174.636 174.600 0.026 0.000 1.409 1392 S CA -0.336 57.876 58.200 0.021 0.000 1.179 1392 S CB -0.900 62.324 63.200 0.041 0.000 1.218 1392 S HN 0.620 nan 8.310 nan 0.000 0.514 1393 N N -0.289 118.423 118.700 0.019 0.000 2.707 1393 N HA -0.294 4.449 4.740 0.005 0.000 0.245 1393 N C 0.106 175.637 175.510 0.035 0.000 1.103 1393 N CA 1.434 54.500 53.050 0.026 0.000 0.882 1393 N CB -2.685 35.818 38.487 0.026 0.000 1.160 1393 N HN 0.781 nan 8.380 nan 0.000 0.587 1394 T N -1.474 113.103 114.554 0.038 0.000 2.937 1394 T HA 0.393 4.746 4.350 0.005 0.000 0.316 1394 T C 1.272 176.003 174.700 0.052 0.000 1.079 1394 T CA -0.017 62.110 62.100 0.044 0.000 1.131 1394 T CB 1.104 70.003 68.868 0.052 0.000 1.000 1394 T HN 0.468 nan 8.240 nan 0.000 0.549 1395 G N 1.113 109.946 108.800 0.056 0.000 2.257 1395 G HA2 0.311 4.273 3.960 0.005 0.000 0.235 1395 G HA3 0.311 4.273 3.960 0.005 0.000 0.235 1395 G C 1.216 176.176 174.900 0.099 0.000 1.225 1395 G CA -0.324 44.821 45.100 0.075 0.000 0.878 1395 G HN 1.247 nan 8.290 nan 0.000 0.505 1396 A N 2.851 125.764 122.820 0.155 0.000 1.892 1396 A HA -0.145 4.177 4.320 0.005 0.000 0.218 1396 A C 2.493 180.152 177.584 0.124 0.000 1.188 1396 A CA 1.675 53.798 52.037 0.142 0.000 0.631 1396 A CB -0.386 18.734 19.000 0.201 0.000 0.822 1396 A HN 0.677 nan 8.150 nan 0.000 0.447 1397 L N -1.374 119.967 121.223 0.196 0.000 2.131 1397 L HA -0.207 4.136 4.340 0.005 0.000 0.210 1397 L C 2.845 179.768 176.870 0.087 0.000 1.092 1397 L CA 1.485 56.412 54.840 0.144 0.000 0.759 1397 L CB -0.368 41.779 42.059 0.146 0.000 0.903 1397 L HN 0.535 nan 8.230 nan 0.000 0.435 1398 M N -0.390 119.260 119.600 0.082 0.000 2.077 1398 M HA -0.219 4.263 4.480 0.005 0.000 0.261 1398 M C 2.465 178.819 176.300 0.090 0.000 1.070 1398 M CA 1.809 57.154 55.300 0.075 0.000 1.125 1398 M CB -0.139 32.501 32.600 0.066 0.000 1.339 1398 M HN 0.127 nan 8.290 nan 0.000 0.409 1399 R N -0.445 120.101 120.500 0.076 0.000 2.115 1399 R HA -0.168 4.175 4.340 0.005 0.000 0.230 1399 R C 2.377 178.726 176.300 0.082 0.000 1.111 1399 R CA 1.538 57.683 56.100 0.074 0.000 0.976 1399 R CB -0.763 29.549 30.300 0.020 0.000 0.870 1399 R HN 0.672 nan 8.270 nan 0.000 0.445 1400 C N 0.356 119.681 119.300 0.042 0.000 2.449 1400 C HA 0.071 4.533 4.460 0.005 0.000 0.283 1400 C C 2.402 177.410 174.990 0.031 0.000 1.453 1400 C CA 0.394 59.413 59.018 0.003 0.000 1.779 1400 C CB -0.909 26.808 27.740 -0.039 0.000 1.779 1400 C HN 0.424 nan 8.230 nan 0.000 0.546 1401 S N -1.554 114.199 115.700 0.088 0.000 2.593 1401 S HA 0.236 4.708 4.470 0.005 0.000 0.217 1401 S C 0.018 174.722 174.600 0.174 0.000 0.966 1401 S CA -0.277 57.982 58.200 0.098 0.000 0.914 1401 S CB -0.487 62.770 63.200 0.094 0.000 0.776 1401 S HN 0.676 nan 8.310 nan 0.000 0.523 1402 F N 1.375 121.338 119.950 0.022 0.000 2.538 1402 F HA 0.604 5.133 4.527 0.005 0.000 0.325 1402 F C 1.078 176.874 175.800 -0.006 0.000 1.066 1402 F CA -0.972 57.053 58.000 0.042 0.000 0.946 1402 F CB 1.454 40.518 39.000 0.106 0.000 1.199 1402 F HN 0.067 nan 8.300 nan 0.000 0.473 1403 E N 1.144 120.829 120.200 -0.858 0.000 4.080 1403 E HA -0.392 3.960 4.350 0.005 0.000 0.216 1403 E C 0.224 176.665 176.600 -0.266 0.000 1.293 1403 E CA 2.813 58.842 56.400 -0.619 0.000 2.138 1403 E CB -0.615 28.631 29.700 -0.757 0.000 1.884 1403 E HN 0.775 nan 8.360 nan 0.000 0.262 1404 E N -0.165 119.934 120.200 -0.169 0.000 2.364 1404 E HA 0.135 4.487 4.350 0.005 0.000 0.270 1404 E C 0.503 177.025 176.600 -0.131 0.000 1.398 1404 E CA 0.406 56.728 56.400 -0.131 0.000 1.721 1404 E CB 0.234 29.876 29.700 -0.097 0.000 1.525 1404 E HN 0.327 nan 8.360 nan 0.000 0.446 1405 T N -0.724 113.747 114.554 -0.139 0.000 2.594 1405 T HA -0.265 4.088 4.350 0.005 0.000 0.266 1405 T C 1.799 176.371 174.700 -0.213 0.000 1.070 1405 T CA 1.405 63.418 62.100 -0.144 0.000 1.166 1405 T CB -0.128 68.660 68.868 -0.133 0.000 0.862 1405 T HN 0.176 nan 8.240 nan 0.000 0.436 1406 V N 2.059 121.807 119.914 -0.277 0.000 2.446 1406 V HA -0.081 4.042 4.120 0.005 0.000 0.244 1406 V C 2.763 178.554 176.094 -0.505 0.000 1.039 1406 V CA 1.517 63.526 62.300 -0.485 0.000 1.045 1406 V CB -0.453 31.007 31.823 -0.604 0.000 0.681 1406 V HN 0.581 nan 8.190 nan 0.000 0.459 1407 E N 0.161 120.206 120.200 -0.259 0.000 2.160 1407 E HA -0.222 4.131 4.350 0.005 0.000 0.195 1407 E C 2.168 178.720 176.600 -0.079 0.000 0.991 1407 E CA 1.285 57.632 56.400 -0.089 0.000 0.810 1407 E CB -0.479 29.202 29.700 -0.032 0.000 0.742 1407 E HN 0.433 nan 8.360 nan 0.000 0.466 1408 I N 1.379 121.871 120.570 -0.131 0.000 2.202 1408 I HA -0.162 4.011 4.170 0.005 0.000 0.242 1408 I C 2.574 178.586 176.117 -0.175 0.000 1.091 1408 I CA 0.877 62.105 61.300 -0.120 0.000 1.368 1408 I CB -0.910 37.027 38.000 -0.105 0.000 1.058 1408 I HN 0.101 nan 8.210 nan 0.000 0.410 1409 L N -1.210 119.855 121.223 -0.264 0.000 2.395 1409 L HA -0.109 4.234 4.340 0.005 0.000 0.218 1409 L C 2.471 179.192 176.870 -0.248 0.000 1.130 1409 L CA 0.740 55.350 54.840 -0.383 0.000 0.826 1409 L CB -0.358 41.455 42.059 -0.409 0.000 0.941 1409 L HN 0.119 nan 8.230 nan 0.000 0.451 1410 F N 1.014 120.846 119.950 -0.198 0.000 2.053 1410 F HA -0.174 4.356 4.527 0.005 0.000 0.292 1410 F C 2.471 178.271 175.800 0.001 0.000 1.125 1410 F CA 0.707 58.623 58.000 -0.140 0.000 1.193 1410 F CB 0.024 38.877 39.000 -0.245 0.000 0.996 1410 F HN 0.164 nan 8.300 nan 0.000 0.470 1411 E N 0.930 121.233 120.200 0.173 0.000 2.526 1411 E HA -0.012 4.341 4.350 0.005 0.000 0.198 1411 E C 1.518 178.085 176.600 -0.055 0.000 1.091 1411 E CA 0.614 57.041 56.400 0.045 0.000 0.880 1411 E CB -0.106 29.563 29.700 -0.052 0.000 0.873 1411 E HN 0.366 nan 8.360 nan 0.000 0.527 1412 A N 1.528 124.296 122.820 -0.087 0.000 2.072 1412 A HA 0.170 4.492 4.320 0.005 0.000 0.216 1412 A C 2.291 179.821 177.584 -0.092 0.000 1.156 1412 A CA 0.846 52.798 52.037 -0.140 0.000 0.701 1412 A CB -0.384 18.407 19.000 -0.347 0.000 0.816 1412 A HN 0.379 nan 8.150 nan 0.000 0.458 1413 G N -0.647 108.117 108.800 -0.060 0.000 2.426 1413 G HA2 0.181 4.144 3.960 0.005 0.000 0.214 1413 G HA3 0.181 4.144 3.960 0.005 0.000 0.214 1413 G C 1.503 176.418 174.900 0.025 0.000 1.156 1413 G CA 0.958 46.084 45.100 0.044 0.000 0.802 1413 G HN 0.682 nan 8.290 nan 0.000 0.534 1414 A N 0.233 123.022 122.820 -0.052 0.000 2.178 1414 A HA 0.364 4.687 4.320 0.005 0.000 0.211 1414 A C 2.228 179.556 177.584 -0.427 0.000 1.157 1414 A CA 1.368 53.240 52.037 -0.275 0.000 0.780 1414 A CB 0.087 18.790 19.000 -0.495 0.000 0.828 1414 A HN 0.214 nan 8.150 nan 0.000 0.476 1415 S N -0.580 114.949 115.700 -0.285 0.000 2.556 1415 S HA 0.423 4.895 4.470 0.005 0.000 0.216 1415 S C 0.965 175.507 174.600 -0.095 0.000 0.970 1415 S CA 0.418 58.450 58.200 -0.279 0.000 0.912 1415 S CB -0.050 63.026 63.200 -0.206 0.000 0.790 1415 S HN 1.509 nan 8.310 nan 0.000 0.504 1416 A N 2.383 125.200 122.820 -0.005 0.000 2.203 1416 A HA -0.206 4.116 4.320 0.005 0.000 0.279 1416 A C 0.136 177.809 177.584 0.150 0.000 1.396 1416 A CA 0.612 52.726 52.037 0.129 0.000 0.747 1416 A CB -1.590 17.549 19.000 0.231 0.000 1.151 1416 A HN 0.605 nan 8.150 nan 0.000 0.345 1417 E N -0.378 119.916 120.200 0.157 0.000 2.331 1417 E HA 0.500 4.853 4.350 0.005 0.000 0.272 1417 E C 0.002 176.685 176.600 0.138 0.000 1.036 1417 E CA -0.840 55.648 56.400 0.147 0.000 0.864 1417 E CB 1.093 30.888 29.700 0.158 0.000 1.035 1417 E HN 0.577 nan 8.360 nan 0.000 0.408 1418 L N 1.901 123.177 121.223 0.089 0.000 2.357 1418 L HA 0.268 4.611 4.340 0.005 0.000 0.273 1418 L C -0.477 176.406 176.870 0.021 0.000 1.080 1418 L CA -0.020 54.840 54.840 0.033 0.000 0.803 1418 L CB 1.272 43.360 42.059 0.048 0.000 1.174 1418 L HN 0.432 nan 8.230 nan 0.000 0.443 1419 D N 2.478 122.855 120.400 -0.039 0.000 2.454 1419 D HA 0.117 4.760 4.640 0.005 0.000 0.247 1419 D C 0.363 176.647 176.300 -0.026 0.000 1.129 1419 D CA -0.270 53.716 54.000 -0.024 0.000 0.877 1419 D CB 1.127 41.888 40.800 -0.065 0.000 1.082 1419 D HN 0.604 nan 8.370 nan 0.000 0.537 1420 D N 1.872 122.273 120.400 0.001 0.000 2.558 1420 D HA -0.268 4.375 4.640 0.005 0.000 0.190 1420 D C 0.775 177.073 176.300 -0.004 0.000 1.047 1420 D CA 1.267 55.270 54.000 0.006 0.000 0.880 1420 D CB -0.066 40.745 40.800 0.019 0.000 0.926 1420 D HN 0.639 nan 8.370 nan 0.000 0.465 1421 C N -0.496 118.800 119.300 -0.007 0.000 4.300 1421 C HA -0.186 4.277 4.460 0.005 0.000 0.304 1421 C C 1.299 176.288 174.990 -0.001 0.000 1.367 1421 C CA 0.617 59.629 59.018 -0.010 0.000 2.032 1421 C CB -2.114 25.610 27.740 -0.026 0.000 1.285 1421 C HN 0.442 nan 8.230 nan 0.000 0.737 1422 R N 0.102 120.608 120.500 0.010 0.000 2.404 1422 R HA 0.238 4.580 4.340 0.005 0.000 0.237 1422 R C 1.111 177.417 176.300 0.011 0.000 0.907 1422 R CA 0.498 56.607 56.100 0.015 0.000 1.063 1422 R CB 0.069 30.390 30.300 0.035 0.000 1.134 1422 R HN 0.551 nan 8.270 nan 0.000 0.529 1423 G N 1.542 110.350 108.800 0.013 0.000 2.299 1423 G HA2 0.211 4.174 3.960 0.005 0.000 0.256 1423 G HA3 0.211 4.174 3.960 0.005 0.000 0.256 1423 G C 1.229 176.129 174.900 -0.000 0.000 1.259 1423 G CA -0.425 44.682 45.100 0.012 0.000 0.943 1423 G HN -0.093 nan 8.290 nan 0.000 0.479 1424 V N 2.905 122.813 119.914 -0.010 0.000 2.242 1424 V HA -0.332 3.791 4.120 0.005 0.000 0.257 1424 V C 3.022 179.111 176.094 -0.009 0.000 1.073 1424 V CA 2.897 65.185 62.300 -0.019 0.000 1.058 1424 V CB -0.936 30.872 31.823 -0.026 0.000 0.664 1424 V HN 0.919 nan 8.190 nan 0.000 0.451 1425 S N -0.673 115.029 115.700 0.003 0.000 2.607 1425 S HA -0.034 4.439 4.470 0.005 0.000 0.224 1425 S C 1.507 176.118 174.600 0.018 0.000 0.969 1425 S CA 0.796 59.004 58.200 0.013 0.000 0.927 1425 S CB -0.300 62.916 63.200 0.027 0.000 0.772 1425 S HN 0.795 nan 8.310 nan 0.000 0.533 1426 E N 2.240 122.449 120.200 0.015 0.000 2.086 1426 E HA -0.002 4.350 4.350 0.005 0.000 0.190 1426 E C 1.261 177.862 176.600 0.001 0.000 0.975 1426 E CA 0.510 56.919 56.400 0.015 0.000 0.813 1426 E CB -0.387 29.321 29.700 0.014 0.000 0.768 1426 E HN 0.479 nan 8.360 nan 0.000 0.457 1427 N N 1.360 120.055 118.700 -0.007 0.000 2.381 1427 N HA -0.086 4.657 4.740 0.005 0.000 0.182 1427 N C 2.034 177.537 175.510 -0.012 0.000 1.025 1427 N CA 0.528 53.569 53.050 -0.014 0.000 0.888 1427 N CB -0.051 38.423 38.487 -0.022 0.000 0.965 1427 N HN -0.000 nan 8.380 nan 0.000 0.438 1428 V N 1.903 121.812 119.914 -0.007 0.000 2.287 1428 V HA -0.211 3.911 4.120 0.005 0.000 0.248 1428 V C 2.297 178.391 176.094 -0.000 0.000 1.053 1428 V CA 1.355 63.652 62.300 -0.005 0.000 1.027 1428 V CB -0.333 31.490 31.823 -0.000 0.000 0.646 1428 V HN 0.207 nan 8.190 nan 0.000 0.447 1429 I N -0.585 119.988 120.570 0.005 0.000 2.163 1429 I HA -0.231 3.942 4.170 0.005 0.000 0.240 1429 I C 2.190 178.309 176.117 0.003 0.000 1.081 1429 I CA 1.604 62.909 61.300 0.008 0.000 1.353 1429 I CB -0.317 37.694 38.000 0.017 0.000 1.054 1429 I HN 0.230 nan 8.210 nan 0.000 0.407 1430 L N 0.684 121.905 121.223 -0.003 0.000 2.456 1430 L HA 0.014 4.357 4.340 0.005 0.000 0.224 1430 L C 1.436 178.301 176.870 -0.009 0.000 1.148 1430 L CA 0.751 55.586 54.840 -0.009 0.000 0.825 1430 L CB -0.690 41.358 42.059 -0.018 0.000 0.937 1430 L HN 0.557 nan 8.230 nan 0.000 0.450 1431 G N 0.095 108.891 108.800 -0.008 0.000 2.182 1431 G HA2 -0.272 3.690 3.960 0.005 0.000 0.248 1431 G HA3 -0.272 3.690 3.960 0.005 0.000 0.248 1431 G C 0.004 174.896 174.900 -0.013 0.000 1.042 1431 G CA -0.023 45.073 45.100 -0.007 0.000 0.775 1431 G HN 0.403 nan 8.290 nan 0.000 0.501 1432 Q N -1.253 118.537 119.800 -0.018 0.000 2.252 1432 Q HA 0.707 5.050 4.340 0.005 0.000 0.256 1432 Q C 0.616 176.598 176.000 -0.031 0.000 1.020 1432 Q CA -0.977 54.811 55.803 -0.024 0.000 0.913 1432 Q CB 1.121 29.843 28.738 -0.025 0.000 1.286 1432 Q HN 0.356 nan 8.270 nan 0.000 0.480 1433 M N 1.744 121.320 119.600 -0.040 0.000 2.156 1433 M HA 0.334 4.817 4.480 0.005 0.000 0.345 1433 M C -0.804 175.459 176.300 -0.061 0.000 1.398 1433 M CA -0.331 54.937 55.300 -0.054 0.000 1.148 1433 M CB 0.348 32.907 32.600 -0.067 0.000 1.663 1433 M HN 0.748 nan 8.290 nan 0.000 0.464 1434 A N 7.122 129.906 122.820 -0.060 0.000 2.483 1434 A HA 0.375 4.698 4.320 0.005 0.000 0.238 1434 A C -2.369 175.164 177.584 -0.084 0.000 1.070 1434 A CA -1.066 50.934 52.037 -0.061 0.000 0.770 1434 A CB -0.563 18.405 19.000 -0.055 0.000 1.008 1434 A HN 0.620 nan 8.150 nan 0.000 0.497 1435 P HA 0.366 nan 4.420 nan 0.000 0.237 1435 P C -1.151 176.078 177.300 -0.118 0.000 1.788 1435 P CA 0.353 63.393 63.100 -0.100 0.000 1.061 1435 P CB -0.299 31.359 31.700 -0.070 0.000 1.967 1436 I N 1.162 121.657 120.570 -0.124 0.000 2.534 1436 I HA 0.395 4.568 4.170 0.005 0.000 0.286 1436 I C 1.129 177.183 176.117 -0.106 0.000 1.094 1436 I CA -0.147 61.085 61.300 -0.113 0.000 1.055 1436 I CB 1.175 39.121 38.000 -0.091 0.000 1.225 1436 I HN 0.377 nan 8.210 nan 0.000 0.435 1437 G N 4.452 113.196 108.800 -0.092 0.000 2.616 1437 G HA2 -0.400 3.563 3.960 0.005 0.000 0.361 1437 G HA3 -0.400 3.563 3.960 0.005 0.000 0.361 1437 G C 1.114 175.990 174.900 -0.040 0.000 1.361 1437 G CA 1.050 46.131 45.100 -0.032 0.000 0.969 1437 G HN 0.680 nan 8.290 nan 0.000 0.528 1438 T N -0.478 114.075 114.554 -0.001 0.000 4.662 1438 T HA -0.382 3.971 4.350 0.005 0.000 0.228 1438 T C 2.106 176.549 174.700 -0.427 0.000 1.074 1438 T CA 3.560 65.586 62.100 -0.124 0.000 1.387 1438 T CB -1.004 67.821 68.868 -0.072 0.000 1.281 1438 T HN 1.898 nan 8.240 nan 0.000 0.687 1439 G N -0.721 107.882 108.800 -0.329 0.000 3.088 1439 G HA2 0.442 4.405 3.960 0.005 0.000 0.217 1439 G HA3 0.442 4.405 3.960 0.005 0.000 0.217 1439 G C 1.310 176.005 174.900 -0.342 0.000 1.159 1439 G CA 0.776 45.670 45.100 -0.344 0.000 0.760 1439 G HN 0.713 nan 8.290 nan 0.000 0.550 1440 A N 0.090 122.714 122.820 -0.325 0.000 2.209 1440 A HA 0.502 4.825 4.320 0.005 0.000 0.212 1440 A C 0.717 178.393 177.584 0.153 0.000 1.158 1440 A CA 0.510 52.509 52.037 -0.063 0.000 0.742 1440 A CB -0.406 18.611 19.000 0.028 0.000 0.790 1440 A HN 0.546 nan 8.150 nan 0.000 0.472 1441 F N -3.676 116.341 119.950 0.112 0.000 3.084 1441 F HA 0.809 5.339 4.527 0.005 0.000 0.336 1441 F C -0.999 174.830 175.800 0.049 0.000 1.230 1441 F CA -1.624 56.441 58.000 0.109 0.000 0.993 1441 F CB 0.498 39.576 39.000 0.130 0.000 1.496 1441 F HN -0.205 nan 8.300 nan 0.000 0.522 1442 D N -0.196 120.404 120.400 0.333 0.000 2.552 1442 D HA 0.647 5.289 4.640 0.005 0.000 0.239 1442 D C -1.481 174.972 176.300 0.255 0.000 1.139 1442 D CA -0.216 53.885 54.000 0.167 0.000 0.914 1442 D CB 3.105 43.960 40.800 0.091 0.000 1.461 1442 D HN 0.420 nan 8.370 nan 0.000 0.462 1443 V N 1.168 121.168 119.914 0.144 0.000 2.680 1443 V HA 0.693 4.816 4.120 0.005 0.000 0.309 1443 V C 0.067 176.202 176.094 0.068 0.000 1.052 1443 V CA -0.477 61.900 62.300 0.128 0.000 0.908 1443 V CB 1.838 33.738 31.823 0.129 0.000 1.001 1443 V HN 0.570 nan 8.190 nan 0.000 0.431 1444 M N 3.191 122.822 119.600 0.051 0.000 3.557 1444 M HA 0.709 5.192 4.480 0.005 0.000 0.301 1444 M C -1.771 174.541 176.300 0.021 0.000 1.451 1444 M CA -0.317 55.001 55.300 0.031 0.000 0.816 1444 M CB 2.318 34.934 32.600 0.027 0.000 1.848 1444 M HN 0.537 nan 8.290 nan 0.000 0.456 1445 I N 0.000 120.579 120.570 0.015 0.000 2.984 1445 I HA 0.000 4.173 4.170 0.005 0.000 0.288 1445 I CA 0.000 61.306 61.300 0.011 0.000 1.566 1445 I CB 0.000 38.007 38.000 0.011 0.000 1.214 1445 I HN 0.000 nan 8.210 nan 0.000 0.494