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 3m4o_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 3.962 3.960 0.003 0.000 0.244 3 G C 0.000 174.893 174.900 -0.012 0.000 0.946 3 G CA 0.000 45.088 45.100 -0.020 0.000 0.502 4 Q N 0.219 120.014 119.800 -0.010 0.000 2.185 4 Q HA 0.594 4.936 4.340 0.003 0.000 0.225 4 Q C -0.357 175.650 176.000 0.011 0.000 0.983 4 Q CA -0.464 55.338 55.803 -0.003 0.000 0.950 4 Q CB 1.406 30.139 28.738 -0.008 0.000 1.176 4 Q HN 0.445 nan 8.270 nan 0.000 0.510 5 Q N -0.287 119.527 119.800 0.024 0.000 2.166 5 Q HA 0.229 4.571 4.340 0.003 0.000 0.226 5 Q C -1.130 174.922 176.000 0.086 0.000 0.989 5 Q CA -0.650 55.191 55.803 0.063 0.000 0.966 5 Q CB 0.712 29.490 28.738 0.066 0.000 1.173 5 Q HN 0.486 nan 8.270 nan 0.000 0.509 6 Y N 0.455 120.753 120.300 -0.004 0.000 2.526 6 Y HA 0.029 4.580 4.550 0.002 0.000 0.330 6 Y C 0.087 175.987 175.900 0.001 0.000 1.156 6 Y CA 0.853 58.953 58.100 -0.001 0.000 1.419 6 Y CB 0.826 39.286 38.460 0.000 0.000 1.250 6 Y HN 0.326 nan 8.280 nan 0.000 0.540 7 S N 1.750 117.474 115.700 0.039 0.000 2.566 7 S HA 0.367 4.839 4.470 0.003 0.000 0.298 7 S C 0.541 175.177 174.600 0.061 0.000 1.083 7 S CA -0.164 58.072 58.200 0.061 0.000 0.978 7 S CB 1.169 64.376 63.200 0.010 0.000 1.073 7 S HN 0.756 nan 8.310 nan 0.000 0.491 8 S N 2.539 118.290 115.700 0.085 0.000 2.492 8 S HA 0.359 4.831 4.470 0.003 0.000 0.218 8 S C 0.887 175.509 174.600 0.036 0.000 1.016 8 S CA 0.258 58.505 58.200 0.079 0.000 0.916 8 S CB -0.455 62.798 63.200 0.088 0.000 0.791 8 S HN 1.046 nan 8.310 nan 0.000 0.513 9 A N 3.590 126.425 122.820 0.025 0.000 2.511 9 A HA 0.526 4.848 4.320 0.003 0.000 0.242 9 A C -2.232 175.349 177.584 -0.004 0.000 1.069 9 A CA -0.890 51.154 52.037 0.012 0.000 0.763 9 A CB -0.631 18.376 19.000 0.012 0.000 1.001 9 A HN 0.397 nan 8.150 nan 0.000 0.498 10 P HA 0.424 nan 4.420 nan 0.000 0.281 10 P C -0.615 176.673 177.300 -0.020 0.000 1.249 10 P CA -0.627 62.464 63.100 -0.016 0.000 0.810 10 P CB 0.667 32.363 31.700 -0.007 0.000 1.008 11 L N 2.855 124.060 121.223 -0.029 0.000 2.326 11 L HA 0.552 4.894 4.340 0.003 0.000 0.278 11 L C -0.176 176.682 176.870 -0.020 0.000 1.092 11 L CA 0.271 55.094 54.840 -0.028 0.000 0.810 11 L CB 0.334 42.370 42.059 -0.038 0.000 1.153 11 L HN 0.277 nan 8.230 nan 0.000 0.439 12 R N 1.626 122.115 120.500 -0.018 0.000 2.740 12 R HA 0.593 4.935 4.340 0.003 0.000 0.273 12 R C -0.830 175.460 176.300 -0.016 0.000 0.998 12 R CA -0.524 55.567 56.100 -0.015 0.000 0.900 12 R CB 2.051 32.344 30.300 -0.013 0.000 1.223 12 R HN 0.768 nan 8.270 nan 0.000 0.466 13 T N 0.530 115.076 114.554 -0.014 0.000 2.898 13 T HA 0.216 4.567 4.350 0.003 0.000 0.301 13 T C -0.071 174.617 174.700 -0.020 0.000 1.049 13 T CA -0.531 61.560 62.100 -0.016 0.000 1.095 13 T CB 0.795 69.656 68.868 -0.013 0.000 0.976 13 T HN 0.116 nan 8.240 nan 0.000 0.539 14 V N 3.567 123.467 119.914 -0.024 0.000 2.406 14 V HA 0.230 4.352 4.120 0.003 0.000 0.272 14 V C 0.804 176.880 176.094 -0.030 0.000 1.043 14 V CA -0.311 61.969 62.300 -0.033 0.000 0.915 14 V CB 1.261 33.059 31.823 -0.040 0.000 0.988 14 V HN 0.760 nan 8.190 nan 0.000 0.466 15 K N 2.546 122.927 120.400 -0.032 0.000 2.350 15 K HA 0.370 4.691 4.320 0.003 0.000 0.196 15 K C 0.417 176.999 176.600 -0.031 0.000 1.084 15 K CA 0.401 56.674 56.287 -0.024 0.000 0.967 15 K CB 0.808 33.299 32.500 -0.015 0.000 0.950 15 K HN 0.636 nan 8.250 nan 0.000 0.512 16 E N 0.526 120.695 120.200 -0.051 0.000 2.314 16 E HA 0.386 4.737 4.350 0.003 0.000 0.272 16 E C -1.369 175.153 176.600 -0.131 0.000 0.884 16 E CA -0.612 55.746 56.400 -0.070 0.000 0.753 16 E CB 3.029 32.696 29.700 -0.055 0.000 1.213 16 E HN -0.290 nan 8.360 nan 0.000 0.432 17 V N 2.798 122.606 119.914 -0.176 0.000 2.495 17 V HA 0.268 4.389 4.120 0.003 0.000 0.298 17 V C -0.625 175.196 176.094 -0.455 0.000 1.031 17 V CA -0.674 61.420 62.300 -0.343 0.000 0.871 17 V CB 1.775 33.367 31.823 -0.385 0.000 0.988 17 V HN 0.513 nan 8.190 nan 0.000 0.432 18 Q N 4.086 123.539 119.800 -0.579 0.000 2.558 18 Q HA 0.437 4.779 4.340 0.003 0.000 0.252 18 Q C -1.172 174.481 176.000 -0.578 0.000 1.015 18 Q CA -0.479 54.999 55.803 -0.541 0.000 0.720 18 Q CB 0.777 29.152 28.738 -0.604 0.000 1.215 18 Q HN 0.602 nan 8.270 nan 0.000 0.500 19 F N 1.750 121.575 119.950 -0.209 0.000 2.494 19 F HA 0.445 4.974 4.527 0.003 0.000 0.351 19 F C 1.351 177.064 175.800 -0.145 0.000 1.205 19 F CA 0.081 57.987 58.000 -0.156 0.000 1.125 19 F CB 0.633 39.583 39.000 -0.083 0.000 1.268 19 F HN 0.445 nan 8.300 nan 0.000 0.593 20 G N 3.196 111.965 108.800 -0.053 0.000 2.828 20 G HA2 0.776 4.737 3.960 0.003 0.000 0.244 20 G HA3 0.776 4.737 3.960 0.003 0.000 0.244 20 G C -0.812 174.108 174.900 0.035 0.000 1.365 20 G CA -0.718 44.381 45.100 -0.001 0.000 1.041 20 G HN 0.371 nan 8.290 nan 0.000 0.560 21 L N -1.471 119.798 121.223 0.077 0.000 2.235 21 L HA 0.558 4.900 4.340 0.003 0.000 0.260 21 L C -1.110 175.698 176.870 -0.103 0.000 1.025 21 L CA -0.883 54.013 54.840 0.093 0.000 0.836 21 L CB 2.165 44.379 42.059 0.258 0.000 1.395 21 L HN 0.368 nan 8.230 nan 0.000 0.443 22 F N 0.469 120.395 119.950 -0.041 0.000 2.411 22 F HA 0.249 4.778 4.527 0.003 0.000 0.352 22 F C 0.550 176.009 175.800 -0.569 0.000 1.123 22 F CA -0.600 57.254 58.000 -0.242 0.000 1.044 22 F CB 1.808 40.733 39.000 -0.125 0.000 1.135 22 F HN 0.387 nan 8.300 nan 0.000 0.461 23 S N 5.091 120.320 115.700 -0.785 0.000 2.565 23 S HA 0.244 4.715 4.470 0.003 0.000 0.276 23 S C -1.730 172.594 174.600 -0.460 0.000 1.326 23 S CA -1.242 56.144 58.200 -1.356 0.000 1.045 23 S CB 1.315 63.644 63.200 -1.451 0.000 0.918 23 S HN 0.441 nan 8.310 nan 0.000 0.505 24 P HA -0.170 nan 4.420 nan 0.000 0.216 24 P C 0.954 178.198 177.300 -0.094 0.000 1.150 24 P CA 1.382 64.427 63.100 -0.092 0.000 0.843 24 P CB 0.038 31.747 31.700 0.015 0.000 0.787 25 E N 0.145 120.291 120.200 -0.090 0.000 2.058 25 E HA -0.195 4.157 4.350 0.003 0.000 0.194 25 E C 2.287 178.845 176.600 -0.070 0.000 0.997 25 E CA 1.150 57.518 56.400 -0.054 0.000 0.801 25 E CB -0.391 29.302 29.700 -0.010 0.000 0.746 25 E HN 0.387 nan 8.360 nan 0.000 0.450 26 E N 0.274 120.421 120.200 -0.088 0.000 2.046 26 E HA -0.132 4.219 4.350 0.003 0.000 0.190 26 E C 2.305 178.881 176.600 -0.040 0.000 0.982 26 E CA 0.879 57.263 56.400 -0.026 0.000 0.800 26 E CB 0.092 29.808 29.700 0.028 0.000 0.756 26 E HN 0.065 nan 8.360 nan 0.000 0.449 27 V N 2.163 122.017 119.914 -0.099 0.000 2.250 27 V HA -0.346 3.776 4.120 0.003 0.000 0.253 27 V C 2.347 178.326 176.094 -0.192 0.000 1.065 27 V CA 2.621 64.759 62.300 -0.271 0.000 1.039 27 V CB -0.741 30.912 31.823 -0.284 0.000 0.647 27 V HN 0.345 nan 8.190 nan 0.000 0.446 28 R N 0.950 121.339 120.500 -0.185 0.000 2.223 28 R HA 0.317 4.659 4.340 0.003 0.000 0.198 28 R C 1.894 178.057 176.300 -0.227 0.000 0.984 28 R CA 0.914 56.823 56.100 -0.319 0.000 1.018 28 R CB -0.347 29.700 30.300 -0.422 0.000 0.945 28 R HN 0.405 nan 8.270 nan 0.000 0.479 29 A N 0.934 123.678 122.820 -0.127 0.000 2.276 29 A HA 0.208 4.530 4.320 0.003 0.000 0.212 29 A C 1.527 179.085 177.584 -0.044 0.000 1.230 29 A CA 0.253 52.244 52.037 -0.077 0.000 0.844 29 A CB -0.211 18.762 19.000 -0.046 0.000 0.860 29 A HN 0.387 nan 8.150 nan 0.000 0.486 30 I N -1.240 119.302 120.570 -0.047 0.000 4.592 30 I HA 0.056 4.228 4.170 0.003 0.000 0.329 30 I C 1.117 177.246 176.117 0.020 0.000 1.309 30 I CA 0.483 61.785 61.300 0.003 0.000 1.243 30 I CB 0.518 38.541 38.000 0.039 0.000 1.241 30 I HN 0.387 nan 8.210 nan 0.000 0.434 31 S N 0.105 115.800 115.700 -0.009 0.000 2.713 31 S HA 0.328 4.800 4.470 0.003 0.000 0.277 31 S C 0.503 175.120 174.600 0.029 0.000 1.168 31 S CA 0.087 58.320 58.200 0.055 0.000 0.994 31 S CB 1.751 65.022 63.200 0.118 0.000 1.054 31 S HN 0.089 nan 8.310 nan 0.000 0.555 32 V N -2.841 117.102 119.914 0.049 0.000 3.276 32 V HA 0.692 4.813 4.120 0.003 0.000 0.319 32 V C 0.468 176.595 176.094 0.056 0.000 1.476 32 V CA -0.081 62.225 62.300 0.010 0.000 1.097 32 V CB -0.810 30.966 31.823 -0.078 0.000 0.988 32 V HN 1.006 nan 8.190 nan 0.000 0.473 33 A N 0.760 123.675 122.820 0.158 0.000 2.326 33 A HA 0.924 5.246 4.320 0.003 0.000 0.303 33 A C 0.737 178.428 177.584 0.179 0.000 1.164 33 A CA -0.048 52.071 52.037 0.136 0.000 0.929 33 A CB 1.826 20.877 19.000 0.084 0.000 1.363 33 A HN 0.268 nan 8.150 nan 0.000 0.498 34 K N -1.614 118.782 120.400 -0.007 0.000 2.937 34 K HA 0.284 4.606 4.320 0.003 0.000 0.194 34 K C -0.700 175.776 176.600 -0.207 0.000 1.589 34 K CA 0.190 56.439 56.287 -0.065 0.000 1.303 34 K CB 0.447 32.978 32.500 0.050 0.000 1.864 34 K HN 0.464 nan 8.250 nan 0.000 0.608 35 I N 2.857 123.371 120.570 -0.095 0.000 7.154 35 I HA -0.322 3.850 4.170 0.003 0.000 0.126 35 I C 0.073 176.132 176.117 -0.097 0.000 1.808 35 I CA 0.851 62.102 61.300 -0.082 0.000 2.123 35 I CB -1.611 36.306 38.000 -0.139 0.000 3.552 35 I HN 0.396 nan 8.210 nan 0.000 0.195 36 R N 0.548 121.014 120.500 -0.056 0.000 2.290 36 R HA 0.268 4.610 4.340 0.003 0.000 0.197 36 R C -0.071 175.923 176.300 -0.509 0.000 0.913 36 R CA 0.628 56.555 56.100 -0.289 0.000 1.040 36 R CB 0.450 30.515 30.300 -0.392 0.000 0.992 36 R HN 0.250 nan 8.270 nan 0.000 0.500 37 F N 0.392 120.320 119.950 -0.036 0.000 2.529 37 F HA 0.325 4.854 4.527 0.003 0.000 0.320 37 F C -1.673 174.111 175.800 -0.027 0.000 1.118 37 F CA -2.746 55.238 58.000 -0.027 0.000 0.915 37 F CB 1.987 40.974 39.000 -0.021 0.000 1.161 37 F HN -0.234 nan 8.300 nan 0.000 0.445 38 P HA -0.013 nan 4.420 nan 0.000 0.236 38 P C -0.124 177.221 177.300 0.074 0.000 1.177 38 P CA 0.570 63.709 63.100 0.065 0.000 0.773 38 P CB 0.286 32.001 31.700 0.025 0.000 0.878 39 E N -0.177 120.085 120.200 0.103 0.000 2.459 39 E HA 0.035 4.387 4.350 0.003 0.000 0.264 39 E C 1.204 177.832 176.600 0.047 0.000 1.055 39 E CA 0.843 57.280 56.400 0.061 0.000 0.957 39 E CB 0.182 29.908 29.700 0.043 0.000 0.952 39 E HN 0.121 nan 8.360 nan 0.000 0.448 40 T N 0.691 115.263 114.554 0.029 0.000 3.348 40 T HA 0.094 4.445 4.350 0.003 0.000 0.233 40 T C 1.154 175.857 174.700 0.004 0.000 0.960 40 T CA 0.328 62.444 62.100 0.026 0.000 1.343 40 T CB -0.037 68.855 68.868 0.040 0.000 1.068 40 T HN 0.269 nan 8.240 nan 0.000 0.410 41 M N 0.330 119.928 119.600 -0.003 0.000 2.879 41 M HA 0.359 4.841 4.480 0.003 0.000 0.241 41 M C -0.116 176.168 176.300 -0.027 0.000 1.523 41 M CA 0.251 55.541 55.300 -0.017 0.000 1.195 41 M CB 0.215 32.806 32.600 -0.015 0.000 1.277 41 M HN -0.032 nan 8.290 nan 0.000 0.557 42 D N 2.975 123.362 120.400 -0.020 0.000 2.382 42 D HA 0.200 4.842 4.640 0.003 0.000 0.240 42 D C -0.395 175.884 176.300 -0.035 0.000 1.146 42 D CA 0.564 54.549 54.000 -0.024 0.000 0.897 42 D CB 0.537 41.328 40.800 -0.015 0.000 1.197 42 D HN 0.357 nan 8.370 nan 0.000 0.432 43 E N -1.666 118.511 120.200 -0.038 0.000 2.639 43 E HA 0.212 4.563 4.350 0.003 0.000 0.378 43 E C -0.479 176.098 176.600 -0.039 0.000 1.002 43 E CA -0.799 55.571 56.400 -0.050 0.000 0.747 43 E CB -0.068 29.588 29.700 -0.074 0.000 1.571 43 E HN 0.244 nan 8.360 nan 0.000 0.382 44 T N 0.476 115.013 114.554 -0.029 0.000 3.866 44 T HA -0.407 3.944 4.350 0.003 0.000 0.344 44 T C 0.806 175.494 174.700 -0.019 0.000 0.760 44 T CA 1.841 63.928 62.100 -0.021 0.000 1.852 44 T CB -1.820 67.036 68.868 -0.020 0.000 1.891 44 T HN 0.842 nan 8.240 nan 0.000 0.783 45 Q N -2.411 117.377 119.800 -0.020 0.000 7.863 45 Q HA -0.132 4.210 4.340 0.003 0.000 0.365 45 Q C 0.055 176.042 176.000 -0.021 0.000 0.969 45 Q CA 0.884 56.677 55.803 -0.018 0.000 0.544 45 Q CB -1.679 27.050 28.738 -0.015 0.000 0.177 45 Q HN 0.719 nan 8.270 nan 0.000 0.902 46 T N 2.582 117.121 114.554 -0.025 0.000 2.849 46 T HA 0.084 4.436 4.350 0.003 0.000 0.289 46 T C 0.049 174.733 174.700 -0.028 0.000 1.010 46 T CA 0.554 62.638 62.100 -0.027 0.000 1.161 46 T CB 0.241 69.089 68.868 -0.032 0.000 0.989 46 T HN 0.094 nan 8.240 nan 0.000 0.523 47 R N 2.210 122.695 120.500 -0.025 0.000 2.391 47 R HA 0.526 4.867 4.340 0.003 0.000 0.310 47 R C 0.437 176.722 176.300 -0.025 0.000 1.174 47 R CA -0.190 55.895 56.100 -0.025 0.000 1.118 47 R CB 0.204 30.490 30.300 -0.023 0.000 1.134 47 R HN 0.808 nan 8.270 nan 0.000 0.524 48 A N 2.010 124.813 122.820 -0.028 0.000 3.708 48 A HA 0.467 4.789 4.320 0.003 0.000 0.178 48 A C 0.234 177.802 177.584 -0.026 0.000 1.050 48 A CA -0.278 51.743 52.037 -0.028 0.000 1.245 48 A CB 0.733 19.713 19.000 -0.032 0.000 1.600 48 A HN 0.451 nan 8.150 nan 0.000 0.697 49 K N -0.978 119.405 120.400 -0.029 0.000 2.431 49 K HA 0.446 4.767 4.320 0.003 0.000 0.213 49 K C -0.353 176.226 176.600 -0.034 0.000 1.258 49 K CA 0.780 57.052 56.287 -0.025 0.000 0.845 49 K CB 0.442 32.932 32.500 -0.017 0.000 1.498 49 K HN 1.296 nan 8.250 nan 0.000 0.451 50 I N -2.210 118.333 120.570 -0.046 0.000 7.607 50 I HA -0.180 3.992 4.170 0.003 0.000 0.300 50 I C 0.280 176.358 176.117 -0.064 0.000 1.843 50 I CA 0.109 61.362 61.300 -0.079 0.000 2.037 50 I CB -0.873 37.055 38.000 -0.121 0.000 3.682 50 I HN 0.262 nan 8.210 nan 0.000 0.169 51 G N 3.954 112.703 108.800 -0.085 0.000 2.615 51 G HA2 0.220 4.181 3.960 0.003 0.000 0.213 51 G HA3 0.220 4.181 3.960 0.003 0.000 0.213 51 G C 0.973 175.920 174.900 0.078 0.000 1.135 51 G CA 0.949 46.039 45.100 -0.018 0.000 0.772 51 G HN 1.357 nan 8.290 nan 0.000 0.542 52 G N -0.050 108.782 108.800 0.054 0.000 2.535 52 G HA2 0.322 4.284 3.960 0.003 0.000 0.210 52 G HA3 0.322 4.284 3.960 0.003 0.000 0.210 52 G C 0.684 175.665 174.900 0.135 0.000 1.593 52 G CA -0.151 45.100 45.100 0.252 0.000 0.948 52 G HN 0.322 nan 8.290 nan 0.000 0.476 53 L N 0.371 121.644 121.223 0.084 0.000 2.770 53 L HA 0.193 4.534 4.340 0.003 0.000 0.229 53 L C 0.672 177.555 176.870 0.022 0.000 1.173 53 L CA -0.597 54.269 54.840 0.043 0.000 0.871 53 L CB 0.300 42.384 42.059 0.042 0.000 1.682 53 L HN 0.574 nan 8.230 nan 0.000 0.523 54 N N 0.809 119.517 118.700 0.013 0.000 3.072 54 N HA -0.265 4.477 4.740 0.003 0.000 0.290 54 N C -0.603 174.909 175.510 0.003 0.000 1.162 54 N CA 1.346 54.398 53.050 0.003 0.000 0.918 54 N CB -0.490 37.996 38.487 -0.001 0.000 0.932 54 N HN 0.767 nan 8.380 nan 0.000 0.620 55 D N -0.526 119.877 120.400 0.005 0.000 2.334 55 D HA 0.101 4.743 4.640 0.003 0.000 0.095 55 D C -2.256 174.047 176.300 0.004 0.000 1.492 55 D CA 0.255 54.259 54.000 0.006 0.000 1.287 55 D CB -0.635 40.166 40.800 0.003 0.000 2.525 55 D HN 0.098 nan 8.370 nan 0.000 0.221 56 P HA -0.151 nan 4.420 nan 0.000 0.036 56 P C -0.483 176.813 177.300 -0.006 0.000 0.740 56 P CA 1.358 64.461 63.100 0.005 0.000 1.013 56 P CB -0.623 31.089 31.700 0.020 0.000 1.856 57 R N -4.989 115.502 120.500 -0.016 0.000 2.012 57 R HA -0.043 4.299 4.340 0.003 0.000 0.457 57 R C 0.934 177.179 176.300 -0.093 0.000 0.378 57 R CA -0.098 55.969 56.100 -0.054 0.000 1.355 57 R CB -1.369 28.884 30.300 -0.078 0.000 2.007 57 R HN 0.213 nan 8.270 nan 0.000 0.275 58 L N -0.428 120.793 121.223 -0.003 0.000 2.718 58 L HA 0.493 4.835 4.340 0.003 0.000 0.147 58 L C 1.478 178.483 176.870 0.226 0.000 1.748 58 L CA 0.147 55.053 54.840 0.111 0.000 2.748 58 L CB -0.245 41.851 42.059 0.063 0.000 2.984 58 L HN 0.080 nan 8.230 nan 0.000 0.700 59 G N -0.733 108.143 108.800 0.126 0.000 2.451 59 G HA2 0.476 4.437 3.960 0.003 0.000 0.303 59 G HA3 0.476 4.437 3.960 0.003 0.000 0.303 59 G C -0.679 174.238 174.900 0.029 0.000 1.166 59 G CA -0.280 44.857 45.100 0.061 0.000 0.884 59 G HN 0.521 nan 8.290 nan 0.000 0.514 60 S N -0.333 115.376 115.700 0.015 0.000 2.681 60 S HA 0.566 5.038 4.470 0.003 0.000 0.299 60 S C 0.671 175.266 174.600 -0.008 0.000 1.113 60 S CA -0.825 57.377 58.200 0.004 0.000 1.013 60 S CB 1.936 65.140 63.200 0.006 0.000 1.076 60 S HN 0.383 nan 8.310 nan 0.000 0.534 61 I N -0.517 120.046 120.570 -0.012 0.000 3.565 61 I HA 0.185 4.357 4.170 0.003 0.000 0.287 61 I C 0.512 176.618 176.117 -0.019 0.000 1.193 61 I CA 0.175 61.464 61.300 -0.018 0.000 1.402 61 I CB 0.064 38.052 38.000 -0.020 0.000 1.284 61 I HN 0.533 nan 8.210 nan 0.000 0.454 62 D N 2.194 122.585 120.400 -0.017 0.000 2.934 62 D HA 0.090 4.732 4.640 0.003 0.000 0.237 62 D C 0.193 176.484 176.300 -0.015 0.000 1.158 62 D CA -0.096 53.894 54.000 -0.017 0.000 0.971 62 D CB -0.314 40.476 40.800 -0.017 0.000 1.123 62 D HN -0.075 nan 8.370 nan 0.000 0.467 63 R N 0.338 120.828 120.500 -0.015 0.000 3.569 63 R HA -0.271 4.070 4.340 0.003 0.000 0.260 63 R C -0.136 176.158 176.300 -0.010 0.000 1.078 63 R CA 0.339 56.431 56.100 -0.013 0.000 0.716 63 R CB -1.978 28.314 30.300 -0.013 0.000 1.088 63 R HN 0.351 nan 8.270 nan 0.000 0.473 64 N N -0.651 118.044 118.700 -0.009 0.000 2.326 64 N HA 0.118 4.860 4.740 0.003 0.000 0.239 64 N C 1.162 176.671 175.510 -0.002 0.000 1.301 64 N CA 0.034 53.081 53.050 -0.005 0.000 0.909 64 N CB 0.357 38.842 38.487 -0.003 0.000 1.156 64 N HN 0.099 nan 8.380 nan 0.000 0.462 65 L N 0.554 121.778 121.223 0.002 0.000 2.558 65 L HA 0.113 4.455 4.340 0.003 0.000 0.225 65 L C 1.179 178.058 176.870 0.015 0.000 1.128 65 L CA 0.423 55.267 54.840 0.006 0.000 0.868 65 L CB -0.117 41.946 42.059 0.006 0.000 1.006 65 L HN 0.351 nan 8.230 nan 0.000 0.454 66 K N 0.452 120.861 120.400 0.015 0.000 2.914 66 K HA -0.030 4.291 4.320 0.003 0.000 0.246 66 K C 0.410 177.037 176.600 0.044 0.000 0.949 66 K CA 0.122 56.423 56.287 0.023 0.000 1.136 66 K CB -1.073 31.436 32.500 0.014 0.000 0.976 66 K HN 0.217 nan 8.250 nan 0.000 0.473 67 c N 2.975 121.611 118.600 0.060 0.000 3.837 67 c HA -0.021 4.551 4.570 0.003 0.000 0.585 67 c C 0.137 174.322 174.090 0.159 0.000 1.112 67 c CA -0.330 56.077 56.329 0.130 0.000 1.153 67 c CB -2.535 40.028 42.510 0.089 0.000 1.405 67 c HN 0.689 nan 8.230 nan 0.000 0.646 68 Q N 0.718 120.568 119.800 0.083 0.000 2.439 68 Q HA -0.240 4.102 4.340 0.003 0.000 0.361 68 Q C 0.480 176.507 176.000 0.044 0.000 1.408 68 Q CA 1.154 56.981 55.803 0.040 0.000 1.052 68 Q CB -2.622 26.112 28.738 -0.006 0.000 1.233 68 Q HN 0.785 nan 8.270 nan 0.000 0.347 69 T N -3.118 111.458 114.554 0.037 0.000 9.777 69 T HA -0.438 3.914 4.350 0.003 0.000 0.380 69 T C 1.335 176.059 174.700 0.040 0.000 1.708 69 T CA 1.811 63.930 62.100 0.031 0.000 2.643 69 T CB -2.414 66.468 68.868 0.023 0.000 2.761 69 T HN 1.369 nan 8.240 nan 0.000 1.136 70 C N 2.962 122.300 119.300 0.063 0.000 2.434 70 C HA 0.087 4.549 4.460 0.003 0.000 0.298 70 C C 1.755 176.771 174.990 0.044 0.000 1.495 70 C CA 1.020 60.080 59.018 0.070 0.000 1.756 70 C CB -1.849 25.969 27.740 0.130 0.000 1.647 70 C HN 0.851 nan 8.230 nan 0.000 0.579 71 Q N -0.205 119.616 119.800 0.035 0.000 1.529 71 Q HA -0.317 4.025 4.340 0.003 0.000 0.430 71 Q C 0.774 176.780 176.000 0.010 0.000 0.943 71 Q CA 1.952 57.767 55.803 0.020 0.000 0.641 71 Q CB -1.197 27.550 28.738 0.016 0.000 4.614 71 Q HN 0.478 nan 8.270 nan 0.000 0.659 72 E N -0.796 119.408 120.200 0.006 0.000 3.904 72 E HA -0.292 4.060 4.350 0.003 0.000 0.316 72 E C 0.885 177.481 176.600 -0.007 0.000 0.643 72 E CA 3.035 59.435 56.400 0.000 0.000 1.129 72 E CB -1.765 27.936 29.700 0.001 0.000 1.635 72 E HN 1.593 nan 8.360 nan 0.000 0.424 73 G N -0.198 108.597 108.800 -0.008 0.000 2.472 73 G HA2 -0.182 3.779 3.960 0.003 0.000 0.205 73 G HA3 -0.182 3.779 3.960 0.003 0.000 0.205 73 G C 0.582 175.467 174.900 -0.025 0.000 1.270 73 G CA 0.386 45.478 45.100 -0.013 0.000 0.974 73 G HN 0.212 nan 8.290 nan 0.000 0.542 74 M N -0.296 119.287 119.600 -0.027 0.000 2.428 74 M HA 0.398 4.879 4.480 0.003 0.000 0.239 74 M C 1.372 177.648 176.300 -0.038 0.000 1.121 74 M CA 0.864 56.141 55.300 -0.038 0.000 1.019 74 M CB 0.228 32.808 32.600 -0.033 0.000 1.485 74 M HN 0.305 nan 8.290 nan 0.000 0.484 75 N N 1.214 119.896 118.700 -0.031 0.000 2.412 75 N HA -0.069 4.673 4.740 0.003 0.000 0.184 75 N C 1.251 176.744 175.510 -0.029 0.000 1.101 75 N CA 1.047 54.080 53.050 -0.028 0.000 0.881 75 N CB 0.481 38.956 38.487 -0.021 0.000 0.969 75 N HN 0.575 nan 8.380 nan 0.000 0.459 76 E N -1.003 119.176 120.200 -0.035 0.000 2.502 76 E HA 0.134 4.486 4.350 0.003 0.000 0.206 76 E C -0.210 176.356 176.600 -0.057 0.000 0.821 76 E CA -0.141 56.238 56.400 -0.035 0.000 1.354 76 E CB -0.386 29.302 29.700 -0.020 0.000 1.336 76 E HN 0.094 nan 8.360 nan 0.000 0.675 77 c N 3.926 122.478 118.600 -0.081 0.000 2.633 77 c HA 0.333 4.905 4.570 0.003 0.000 0.415 77 c C -1.738 172.245 174.090 -0.178 0.000 1.393 77 c CA -1.505 54.731 56.329 -0.156 0.000 1.700 77 c CB -0.319 42.078 42.510 -0.188 0.000 2.541 77 c HN 0.356 nan 8.230 nan 0.000 0.603 78 P HA 0.272 nan 4.420 nan 0.000 0.288 78 P C -0.220 176.950 177.300 -0.216 0.000 1.291 78 P CA 0.005 63.016 63.100 -0.148 0.000 0.766 78 P CB 0.293 31.942 31.700 -0.085 0.000 1.242 79 G N -0.491 108.235 108.800 -0.124 0.000 2.546 79 G HA2 0.267 4.229 3.960 0.003 0.000 0.320 79 G HA3 0.267 4.229 3.960 0.003 0.000 0.320 79 G C -0.422 174.456 174.900 -0.037 0.000 0.984 79 G CA -0.347 44.676 45.100 -0.129 0.000 1.183 79 G HN 0.598 nan 8.290 nan 0.000 0.443 80 H N 1.560 120.612 119.070 -0.030 0.000 2.562 80 H HA 0.437 4.995 4.556 0.003 0.000 0.314 80 H C -0.617 174.733 175.328 0.037 0.000 1.079 80 H CA -1.113 54.965 56.048 0.051 0.000 1.349 80 H CB 1.289 31.088 29.762 0.060 0.000 1.432 80 H HN 0.243 nan 8.280 nan 0.000 0.479 81 F N 1.935 121.975 119.950 0.149 0.000 2.472 81 F HA 0.309 4.837 4.527 0.003 0.000 0.312 81 F C 1.301 177.126 175.800 0.041 0.000 1.256 81 F CA 1.336 59.383 58.000 0.078 0.000 1.275 81 F CB 0.932 39.961 39.000 0.048 0.000 1.228 81 F HN 0.807 nan 8.300 nan 0.000 0.567 82 G N -0.933 108.048 108.800 0.302 0.000 2.725 82 G HA2 0.569 4.531 3.960 0.003 0.000 0.288 82 G HA3 0.569 4.531 3.960 0.003 0.000 0.288 82 G C -2.216 172.827 174.900 0.239 0.000 1.399 82 G CA -0.721 44.499 45.100 0.199 0.000 0.859 82 G HN 0.881 nan 8.290 nan 0.000 0.479 83 H N -1.804 117.284 119.070 0.030 0.000 2.895 83 H HA 0.807 5.364 4.556 0.003 0.000 0.373 83 H C -1.567 173.750 175.328 -0.019 0.000 1.174 83 H CA -1.134 54.907 56.048 -0.013 0.000 1.144 83 H CB 2.447 32.184 29.762 -0.041 0.000 1.793 83 H HN 0.589 nan 8.280 nan 0.000 0.551 84 I N 2.346 122.805 120.570 -0.184 0.000 2.571 84 I HA 0.218 4.390 4.170 0.003 0.000 0.289 84 I C -1.388 174.676 176.117 -0.088 0.000 1.115 84 I CA -0.766 60.394 61.300 -0.232 0.000 1.045 84 I CB 1.827 39.727 38.000 -0.168 0.000 1.238 84 I HN 0.752 nan 8.210 nan 0.000 0.424 85 D N 8.587 128.944 120.400 -0.072 0.000 2.347 85 D HA 0.336 4.977 4.640 0.003 0.000 0.235 85 D C -0.193 176.101 176.300 -0.011 0.000 1.149 85 D CA -0.090 53.913 54.000 0.006 0.000 0.850 85 D CB 1.534 42.362 40.800 0.047 0.000 1.061 85 D HN 0.420 nan 8.370 nan 0.000 0.487 86 L N 2.202 123.425 121.223 -0.001 0.000 2.455 86 L HA 0.109 4.451 4.340 0.003 0.000 0.272 86 L C 1.780 178.654 176.870 0.007 0.000 1.174 86 L CA -0.472 54.367 54.840 -0.002 0.000 0.869 86 L CB 0.786 42.846 42.059 0.003 0.000 1.130 86 L HN 0.385 nan 8.230 nan 0.000 0.474 87 A N 4.542 127.366 122.820 0.006 0.000 1.834 87 A HA -0.094 4.228 4.320 0.003 0.000 0.216 87 A C 1.004 178.596 177.584 0.013 0.000 1.203 87 A CA 1.283 53.330 52.037 0.016 0.000 0.621 87 A CB -0.113 18.896 19.000 0.014 0.000 0.841 87 A HN 0.711 nan 8.150 nan 0.000 0.446 88 K N 0.438 120.839 120.400 0.002 0.000 2.339 88 K HA 0.385 4.707 4.320 0.003 0.000 0.264 88 K C -2.780 173.805 176.600 -0.024 0.000 0.986 88 K CA -2.383 53.899 56.287 -0.008 0.000 0.866 88 K CB 1.287 33.779 32.500 -0.012 0.000 1.103 88 K HN 0.064 nan 8.250 nan 0.000 0.441 89 P HA -0.199 nan 4.420 nan 0.000 0.264 89 P C -0.767 176.461 177.300 -0.120 0.000 1.139 89 P CA 0.345 63.416 63.100 -0.047 0.000 0.754 89 P CB 0.379 32.053 31.700 -0.043 0.000 0.737 90 V N 4.238 124.094 119.914 -0.097 0.000 2.960 90 V HA 0.408 4.530 4.120 0.003 0.000 0.315 90 V C 0.529 176.569 176.094 -0.090 0.000 1.087 90 V CA -0.600 61.624 62.300 -0.126 0.000 0.982 90 V CB 1.395 33.220 31.823 0.003 0.000 1.039 90 V HN 0.301 nan 8.190 nan 0.000 0.437 91 F N 0.872 120.889 119.950 0.112 0.000 2.408 91 F HA 0.268 4.796 4.527 0.003 0.000 0.303 91 F C 0.899 176.799 175.800 0.167 0.000 1.268 91 F CA 0.135 58.222 58.000 0.144 0.000 1.218 91 F CB 0.123 39.197 39.000 0.123 0.000 1.283 91 F HN 0.557 nan 8.300 nan 0.000 0.545 92 H N -0.429 118.850 119.070 0.349 0.000 2.551 92 H HA 0.374 4.932 4.556 0.003 0.000 0.238 92 H C 0.451 175.814 175.328 0.058 0.000 1.345 92 H CA -0.377 55.803 56.048 0.219 0.000 1.105 92 H CB -0.118 29.852 29.762 0.347 0.000 1.805 92 H HN 0.471 nan 8.280 nan 0.000 0.553 93 V N 0.103 120.102 119.914 0.143 0.000 0.657 93 V HA -0.484 3.638 4.120 0.003 0.000 0.092 93 V C 2.384 178.441 176.094 -0.062 0.000 1.253 93 V CA 2.351 64.657 62.300 0.011 0.000 3.207 93 V CB -1.603 30.200 31.823 -0.034 0.000 0.436 93 V HN 0.711 nan 8.190 nan 0.000 0.427 94 G N -1.736 106.917 108.800 -0.246 0.000 2.534 94 G HA2 -0.048 3.914 3.960 0.003 0.000 0.217 94 G HA3 -0.048 3.914 3.960 0.003 0.000 0.217 94 G C 1.160 175.778 174.900 -0.470 0.000 1.128 94 G CA 0.919 45.734 45.100 -0.474 0.000 0.784 94 G HN 0.617 nan 8.290 nan 0.000 0.542 95 F N 0.094 119.884 119.950 -0.267 0.000 2.664 95 F HA 0.181 4.710 4.527 0.003 0.000 0.296 95 F C 2.354 178.114 175.800 -0.067 0.000 1.125 95 F CA -0.722 57.164 58.000 -0.191 0.000 1.444 95 F CB 0.226 39.101 39.000 -0.208 0.000 1.114 95 F HN -0.032 nan 8.300 nan 0.000 0.576 96 I N 0.936 121.585 120.570 0.131 0.000 2.147 96 I HA -0.410 3.762 4.170 0.003 0.000 0.245 96 I C 2.702 178.840 176.117 0.036 0.000 1.059 96 I CA 1.860 63.188 61.300 0.046 0.000 1.320 96 I CB -1.516 36.452 38.000 -0.054 0.000 1.021 96 I HN 0.092 nan 8.210 nan 0.000 0.415 97 A N -0.718 122.113 122.820 0.017 0.000 2.019 97 A HA -0.188 4.133 4.320 0.003 0.000 0.219 97 A C 2.259 179.843 177.584 0.002 0.000 1.164 97 A CA 1.403 53.438 52.037 -0.003 0.000 0.644 97 A CB -0.274 18.710 19.000 -0.026 0.000 0.805 97 A HN 0.291 nan 8.150 nan 0.000 0.449 98 K N -0.848 119.580 120.400 0.047 0.000 2.355 98 K HA 0.319 4.640 4.320 0.003 0.000 0.198 98 K C 1.263 177.919 176.600 0.094 0.000 1.039 98 K CA 0.153 56.462 56.287 0.037 0.000 1.075 98 K CB 0.158 32.669 32.500 0.020 0.000 0.870 98 K HN 0.599 nan 8.250 nan 0.000 0.540 99 I N 0.332 120.981 120.570 0.131 0.000 2.703 99 I HA -0.102 4.070 4.170 0.003 0.000 0.259 99 I C 2.327 178.605 176.117 0.269 0.000 1.151 99 I CA 0.530 61.949 61.300 0.199 0.000 1.470 99 I CB -0.051 38.098 38.000 0.249 0.000 1.112 99 I HN -0.087 nan 8.210 nan 0.000 0.437 100 K N 2.142 122.658 120.400 0.193 0.000 2.211 100 K HA -0.117 4.204 4.320 0.003 0.000 0.203 100 K C 1.808 178.565 176.600 0.261 0.000 1.050 100 K CA 1.258 57.661 56.287 0.194 0.000 0.945 100 K CB 0.075 32.651 32.500 0.128 0.000 0.732 100 K HN 0.275 nan 8.250 nan 0.000 0.451 101 K N 0.494 121.032 120.400 0.231 0.000 2.365 101 K HA -0.034 4.287 4.320 0.003 0.000 0.199 101 K C 1.819 178.695 176.600 0.461 0.000 1.045 101 K CA 0.824 57.283 56.287 0.287 0.000 0.962 101 K CB 0.237 32.802 32.500 0.108 0.000 0.759 101 K HN 0.008 nan 8.250 nan 0.000 0.469 102 V N -0.660 119.508 119.914 0.423 0.000 2.649 102 V HA -0.144 3.978 4.120 0.003 0.000 0.248 102 V C 1.929 178.255 176.094 0.386 0.000 1.054 102 V CA 0.979 63.558 62.300 0.465 0.000 1.073 102 V CB -0.378 31.765 31.823 0.533 0.000 0.699 102 V HN 0.285 nan 8.190 nan 0.000 0.463 103 C N 0.317 119.813 119.300 0.326 0.000 2.626 103 C HA 0.183 4.645 4.460 0.003 0.000 0.266 103 C C 2.142 177.206 174.990 0.122 0.000 1.317 103 C CA -0.056 59.061 59.018 0.165 0.000 1.716 103 C CB -1.207 26.607 27.740 0.122 0.000 1.819 103 C HN 0.567 nan 8.230 nan 0.000 0.578 104 E N -1.052 119.275 120.200 0.213 0.000 2.476 104 E HA 0.010 4.361 4.350 0.003 0.000 0.199 104 E C 1.515 178.153 176.600 0.063 0.000 1.021 104 E CA 0.285 56.770 56.400 0.142 0.000 0.907 104 E CB 0.217 30.091 29.700 0.290 0.000 0.974 104 E HN 0.625 nan 8.360 nan 0.000 0.489 105 C N 0.434 119.817 119.300 0.139 0.000 2.525 105 C HA 0.184 4.646 4.460 0.003 0.000 0.291 105 C C 0.992 175.995 174.990 0.023 0.000 1.351 105 C CA -0.108 58.941 59.018 0.052 0.000 1.771 105 C CB 0.529 28.300 27.740 0.053 0.000 2.177 105 C HN -0.051 nan 8.230 nan 0.000 0.510 106 V N 0.201 120.146 119.914 0.051 0.000 2.555 106 V HA 0.342 4.463 4.120 0.003 0.000 0.302 106 V C 0.062 176.136 176.094 -0.034 0.000 1.038 106 V CA -0.666 61.643 62.300 0.015 0.000 0.887 106 V CB 1.350 33.204 31.823 0.052 0.000 0.991 106 V HN 0.470 nan 8.190 nan 0.000 0.434 107 C N 6.223 125.491 119.300 -0.054 0.000 2.553 107 C HA 0.519 4.981 4.460 0.003 0.000 0.345 107 C C 0.738 175.662 174.990 -0.110 0.000 1.369 107 C CA -0.546 58.422 59.018 -0.082 0.000 2.447 107 C CB 0.453 28.153 27.740 -0.066 0.000 2.358 107 C HN 0.824 nan 8.230 nan 0.000 0.676 108 M N 1.678 121.179 119.600 -0.166 0.000 2.116 108 M HA 0.350 4.831 4.480 0.003 0.000 0.235 108 M C 1.160 177.377 176.300 -0.137 0.000 1.193 108 M CA 0.101 55.264 55.300 -0.228 0.000 0.959 108 M CB -0.795 31.561 32.600 -0.407 0.000 1.313 108 M HN 0.902 nan 8.290 nan 0.000 0.530 109 H N -1.231 117.852 119.070 0.022 0.000 5.017 109 H HA -0.227 4.330 4.556 0.003 0.000 0.071 109 H C 1.611 176.940 175.328 0.002 0.000 0.562 109 H CA 2.338 58.397 56.048 0.018 0.000 1.051 109 H CB -1.600 28.176 29.762 0.024 0.000 0.480 109 H HN 0.863 nan 8.280 nan 0.000 0.749 110 C N -0.035 119.322 119.300 0.095 0.000 2.683 110 C HA 0.680 5.141 4.460 0.003 0.000 0.491 110 C C 1.380 176.367 174.990 -0.005 0.000 1.342 110 C CA 1.405 60.437 59.018 0.023 0.000 2.476 110 C CB 0.686 28.425 27.740 -0.001 0.000 3.150 110 C HN 1.557 nan 8.230 nan 0.000 0.551 111 G N 1.842 110.633 108.800 -0.015 0.000 2.860 111 G HA2 0.132 4.093 3.960 0.003 0.000 0.547 111 G HA3 0.132 4.093 3.960 0.003 0.000 0.547 111 G C -0.929 173.949 174.900 -0.036 0.000 1.103 111 G CA 0.266 45.349 45.100 -0.029 0.000 1.126 111 G HN 0.972 nan 8.290 nan 0.000 0.490 112 K N 1.270 121.648 120.400 -0.037 0.000 2.642 112 K HA 0.485 4.807 4.320 0.003 0.000 0.290 112 K C -0.389 176.195 176.600 -0.027 0.000 1.006 112 K CA -1.121 55.144 56.287 -0.037 0.000 0.869 112 K CB 1.323 33.801 32.500 -0.037 0.000 1.499 112 K HN 0.388 nan 8.250 nan 0.000 0.403 113 L N 3.836 125.046 121.223 -0.023 0.000 2.426 113 L HA 0.140 4.481 4.340 0.003 0.000 0.271 113 L C 1.514 178.373 176.870 -0.019 0.000 1.169 113 L CA -0.144 54.687 54.840 -0.015 0.000 0.836 113 L CB 0.558 42.612 42.059 -0.007 0.000 1.112 113 L HN 0.661 nan 8.230 nan 0.000 0.465 114 L N 4.068 125.276 121.223 -0.026 0.000 2.217 114 L HA 0.025 4.367 4.340 0.003 0.000 0.211 114 L C 0.303 177.157 176.870 -0.026 0.000 1.107 114 L CA 0.938 55.757 54.840 -0.034 0.000 0.783 114 L CB -0.103 41.926 42.059 -0.049 0.000 0.919 114 L HN 0.498 nan 8.230 nan 0.000 0.442 115 L N -1.697 119.517 121.223 -0.014 0.000 2.359 115 L HA 0.466 4.808 4.340 0.003 0.000 0.256 115 L C -1.265 175.624 176.870 0.031 0.000 1.026 115 L CA -0.745 54.097 54.840 0.004 0.000 0.828 115 L CB 2.253 44.309 42.059 -0.006 0.000 1.406 115 L HN -0.220 nan 8.230 nan 0.000 0.413 116 D N -1.039 119.404 120.400 0.071 0.000 2.714 116 D HA 0.258 4.900 4.640 0.003 0.000 0.278 116 D C -0.057 176.278 176.300 0.057 0.000 1.102 116 D CA -0.469 53.590 54.000 0.098 0.000 1.108 116 D CB 1.258 42.213 40.800 0.258 0.000 1.444 116 D HN 0.427 nan 8.370 nan 0.000 0.568 117 E N -0.726 119.469 120.200 -0.008 0.000 2.515 117 E HA -0.070 4.282 4.350 0.003 0.000 0.201 117 E C 1.085 177.616 176.600 -0.115 0.000 1.071 117 E CA 0.553 56.914 56.400 -0.066 0.000 0.880 117 E CB -0.067 29.574 29.700 -0.098 0.000 0.828 117 E HN 0.332 nan 8.360 nan 0.000 0.540 118 H N -0.018 119.047 119.070 -0.008 0.000 2.428 118 H HA 0.018 4.575 4.556 0.003 0.000 0.296 118 H C 0.769 176.091 175.328 -0.010 0.000 1.062 118 H CA 0.676 56.718 56.048 -0.009 0.000 1.350 118 H CB 0.249 30.004 29.762 -0.011 0.000 1.403 118 H HN 0.109 nan 8.280 nan 0.000 0.533 119 N N 1.367 120.128 118.700 0.101 0.000 2.426 119 N HA -0.055 4.687 4.740 0.003 0.000 0.275 119 N C 0.771 176.294 175.510 0.022 0.000 1.019 119 N CA 0.071 53.150 53.050 0.049 0.000 0.941 119 N CB 2.086 40.593 38.487 0.033 0.000 1.123 119 N HN 0.054 nan 8.380 nan 0.000 0.486 120 E N 2.986 123.195 120.200 0.014 0.000 2.204 120 E HA -0.032 4.320 4.350 0.003 0.000 0.195 120 E C 1.248 177.851 176.600 0.004 0.000 0.990 120 E CA 1.238 57.642 56.400 0.007 0.000 0.821 120 E CB 0.083 29.786 29.700 0.005 0.000 0.750 120 E HN 0.680 nan 8.360 nan 0.000 0.477 121 L N -0.795 120.430 121.223 0.003 0.000 2.513 121 L HA 0.139 4.480 4.340 0.003 0.000 0.222 121 L C 1.821 178.693 176.870 0.004 0.000 1.096 121 L CA 0.071 54.912 54.840 0.002 0.000 0.857 121 L CB 0.007 42.065 42.059 -0.003 0.000 1.026 121 L HN 0.214 nan 8.230 nan 0.000 0.469 122 M N -0.255 119.348 119.600 0.004 0.000 2.435 122 M HA 0.010 4.491 4.480 0.003 0.000 0.265 122 M C 2.134 178.439 176.300 0.009 0.000 1.104 122 M CA 1.451 56.755 55.300 0.006 0.000 1.140 122 M CB -0.143 32.461 32.600 0.006 0.000 1.372 122 M HN -0.056 nan 8.290 nan 0.000 0.456 123 R N -0.336 120.167 120.500 0.005 0.000 2.105 123 R HA -0.141 4.200 4.340 0.003 0.000 0.239 123 R C 2.055 178.359 176.300 0.007 0.000 1.135 123 R CA 1.817 57.917 56.100 -0.000 0.000 0.967 123 R CB -0.466 29.830 30.300 -0.007 0.000 0.861 123 R HN 0.566 nan 8.270 nan 0.000 0.442 124 Q N -0.660 119.146 119.800 0.010 0.000 2.369 124 Q HA 0.011 4.352 4.340 0.003 0.000 0.206 124 Q C 1.664 177.677 176.000 0.023 0.000 0.963 124 Q CA 1.071 56.883 55.803 0.015 0.000 0.894 124 Q CB 0.344 29.090 28.738 0.014 0.000 0.965 124 Q HN 0.360 nan 8.270 nan 0.000 0.475 125 A N -0.040 122.795 122.820 0.025 0.000 2.085 125 A HA 0.101 4.423 4.320 0.003 0.000 0.208 125 A C 1.781 179.389 177.584 0.041 0.000 1.191 125 A CA 0.004 52.062 52.037 0.036 0.000 0.799 125 A CB -0.017 19.004 19.000 0.034 0.000 0.877 125 A HN 0.217 nan 8.150 nan 0.000 0.473 126 L N -0.745 120.498 121.223 0.032 0.000 2.376 126 L HA -0.023 4.319 4.340 0.003 0.000 0.219 126 L C 2.235 179.127 176.870 0.036 0.000 1.133 126 L CA 0.966 55.827 54.840 0.036 0.000 0.816 126 L CB -0.014 42.060 42.059 0.025 0.000 0.933 126 L HN 0.423 nan 8.230 nan 0.000 0.449 127 A N -0.933 121.906 122.820 0.031 0.000 2.470 127 A HA 0.266 4.588 4.320 0.003 0.000 0.251 127 A C 0.674 178.278 177.584 0.034 0.000 1.245 127 A CA -0.383 51.672 52.037 0.029 0.000 0.932 127 A CB 0.141 19.153 19.000 0.020 0.000 1.037 127 A HN 0.209 nan 8.150 nan 0.000 0.522 128 I N 0.768 121.363 120.570 0.040 0.000 2.529 128 I HA 0.163 4.334 4.170 0.003 0.000 0.284 128 I C -0.282 175.864 176.117 0.049 0.000 1.082 128 I CA -0.441 60.885 61.300 0.043 0.000 1.406 128 I CB 0.835 38.863 38.000 0.046 0.000 1.405 128 I HN 0.076 nan 8.210 nan 0.000 0.548 129 K N 6.801 127.228 120.400 0.044 0.000 2.310 129 K HA 0.189 4.511 4.320 0.003 0.000 0.290 129 K C -1.037 175.591 176.600 0.048 0.000 1.077 129 K CA -0.026 56.288 56.287 0.045 0.000 0.922 129 K CB 0.211 32.734 32.500 0.038 0.000 1.057 129 K HN 0.573 nan 8.250 nan 0.000 0.479 130 D N 1.854 122.286 120.400 0.053 0.000 3.385 130 D HA -0.087 4.554 4.640 0.003 0.000 0.128 130 D C 0.248 176.586 176.300 0.064 0.000 0.834 130 D CA -0.026 54.005 54.000 0.051 0.000 1.906 130 D CB 0.034 40.861 40.800 0.045 0.000 1.914 130 D HN 0.421 nan 8.370 nan 0.000 0.878 131 S N 2.749 118.483 115.700 0.056 0.000 2.400 131 S HA -0.261 4.211 4.470 0.003 0.000 0.234 131 S C 1.756 176.397 174.600 0.068 0.000 1.049 131 S CA 1.674 59.911 58.200 0.062 0.000 1.039 131 S CB 0.161 63.365 63.200 0.006 0.000 0.856 131 S HN 0.596 nan 8.310 nan 0.000 0.465 132 K N 1.074 121.490 120.400 0.027 0.000 2.007 132 K HA -0.066 4.256 4.320 0.003 0.000 0.206 132 K C 1.783 178.435 176.600 0.086 0.000 1.047 132 K CA 1.261 57.553 56.287 0.007 0.000 0.937 132 K CB -0.071 32.416 32.500 -0.022 0.000 0.718 132 K HN 0.078 nan 8.250 nan 0.000 0.438 133 K N 0.426 120.879 120.400 0.088 0.000 2.243 133 K HA 0.033 4.354 4.320 0.003 0.000 0.201 133 K C 2.038 178.720 176.600 0.135 0.000 1.051 133 K CA 0.492 56.843 56.287 0.106 0.000 0.970 133 K CB -0.012 32.532 32.500 0.074 0.000 0.755 133 K HN 0.125 nan 8.250 nan 0.000 0.465 134 R N 0.062 120.644 120.500 0.136 0.000 2.080 134 R HA -0.150 4.192 4.340 0.003 0.000 0.236 134 R C 2.065 178.477 176.300 0.186 0.000 1.137 134 R CA 1.752 57.935 56.100 0.139 0.000 0.943 134 R CB -0.475 29.902 30.300 0.129 0.000 0.846 134 R HN 0.259 nan 8.270 nan 0.000 0.431 135 F N 0.965 120.961 119.950 0.077 0.000 2.095 135 F HA -0.180 4.348 4.527 0.003 0.000 0.298 135 F C 2.079 177.954 175.800 0.125 0.000 1.104 135 F CA 1.834 59.896 58.000 0.103 0.000 1.232 135 F CB -0.281 38.765 39.000 0.078 0.000 0.987 135 F HN 0.158 nan 8.300 nan 0.000 0.475 136 A N -0.134 122.974 122.820 0.481 0.000 2.168 136 A HA 0.135 4.456 4.320 0.003 0.000 0.215 136 A C 2.118 179.840 177.584 0.230 0.000 1.152 136 A CA 1.144 53.402 52.037 0.368 0.000 0.716 136 A CB -1.169 17.986 19.000 0.258 0.000 0.794 136 A HN 0.516 nan 8.150 nan 0.000 0.465 137 A N -0.321 122.594 122.820 0.158 0.000 2.030 137 A HA 0.200 4.522 4.320 0.003 0.000 0.215 137 A C 1.951 179.574 177.584 0.065 0.000 1.164 137 A CA 0.803 52.904 52.037 0.106 0.000 0.697 137 A CB -0.332 18.716 19.000 0.081 0.000 0.827 137 A HN 0.437 nan 8.150 nan 0.000 0.457 138 I N -2.284 118.300 120.570 0.024 0.000 2.163 138 I HA -0.239 3.933 4.170 0.003 0.000 0.240 138 I C 2.388 178.478 176.117 -0.045 0.000 1.081 138 I CA 1.491 62.765 61.300 -0.044 0.000 1.353 138 I CB -0.325 37.606 38.000 -0.114 0.000 1.054 138 I HN 0.687 nan 8.210 nan 0.000 0.407 139 W N 1.785 122.920 121.300 -0.275 0.000 2.374 139 W HA -0.210 4.452 4.660 0.003 0.000 0.288 139 W C 2.240 178.709 176.519 -0.084 0.000 1.218 139 W CA 1.771 58.992 57.345 -0.207 0.000 1.245 139 W CB -0.231 29.100 29.460 -0.215 0.000 1.126 139 W HN -0.023 nan 8.180 nan 0.000 0.545 140 T N 0.871 115.500 114.554 0.125 0.000 3.118 140 T HA 0.006 4.358 4.350 0.003 0.000 0.260 140 T C 0.932 175.558 174.700 -0.123 0.000 1.139 140 T CA 0.711 62.800 62.100 -0.019 0.000 1.085 140 T CB -0.193 68.760 68.868 0.141 0.000 0.934 140 T HN 0.051 nan 8.240 nan 0.000 0.518 141 L N -0.101 121.053 121.223 -0.115 0.000 3.186 141 L HA 0.407 4.749 4.340 0.003 0.000 0.292 141 L C 0.313 177.102 176.870 -0.135 0.000 1.303 141 L CA -0.233 54.542 54.840 -0.109 0.000 0.940 141 L CB 0.703 42.730 42.059 -0.053 0.000 1.358 141 L HN 0.184 nan 8.230 nan 0.000 0.581 142 C N -1.016 118.153 119.300 -0.218 0.000 4.095 142 C HA 0.011 4.473 4.460 0.003 0.000 0.327 142 C C 2.164 176.982 174.990 -0.287 0.000 1.811 142 C CA -0.263 58.629 59.018 -0.210 0.000 1.785 142 C CB 0.265 27.902 27.740 -0.173 0.000 3.120 142 C HN 0.618 nan 8.230 nan 0.000 0.621 143 K N 0.285 120.436 120.400 -0.415 0.000 2.166 143 K HA 0.034 4.356 4.320 0.003 0.000 0.201 143 K C 1.232 177.662 176.600 -0.283 0.000 1.052 143 K CA 1.637 57.647 56.287 -0.463 0.000 0.969 143 K CB -0.552 31.477 32.500 -0.786 0.000 0.761 143 K HN 0.264 nan 8.250 nan 0.000 0.459 144 T N 1.049 115.469 114.554 -0.224 0.000 3.088 144 T HA 0.061 4.412 4.350 0.003 0.000 0.259 144 T C 0.430 175.054 174.700 -0.125 0.000 1.122 144 T CA 0.207 62.216 62.100 -0.152 0.000 1.095 144 T CB 0.089 68.885 68.868 -0.120 0.000 0.930 144 T HN 0.046 nan 8.240 nan 0.000 0.508 145 K N 2.192 122.511 120.400 -0.135 0.000 2.351 145 K HA 0.220 4.541 4.320 0.003 0.000 0.287 145 K C 0.712 177.248 176.600 -0.107 0.000 1.068 145 K CA 0.224 56.447 56.287 -0.107 0.000 0.998 145 K CB 0.436 32.874 32.500 -0.104 0.000 0.968 145 K HN 0.374 nan 8.250 nan 0.000 0.464 146 M N 1.250 120.798 119.600 -0.087 0.000 2.653 146 M HA -0.004 4.478 4.480 0.003 0.000 0.259 146 M C 0.852 177.113 176.300 -0.064 0.000 1.244 146 M CA 0.299 55.546 55.300 -0.088 0.000 1.163 146 M CB 0.438 32.990 32.600 -0.081 0.000 1.309 146 M HN 0.187 nan 8.290 nan 0.000 0.509 147 V N -2.354 117.533 119.914 -0.045 0.000 2.863 147 V HA 0.168 4.289 4.120 0.003 0.000 0.307 147 V C 0.889 176.967 176.094 -0.027 0.000 1.061 147 V CA -0.916 61.370 62.300 -0.023 0.000 1.024 147 V CB 1.700 33.515 31.823 -0.013 0.000 1.049 147 V HN 0.389 nan 8.190 nan 0.000 0.471 148 C N 1.274 120.566 119.300 -0.013 0.000 2.696 148 C HA 0.321 4.783 4.460 0.003 0.000 0.264 148 C C 0.860 175.838 174.990 -0.020 0.000 1.288 148 C CA 0.462 59.471 59.018 -0.016 0.000 1.717 148 C CB -2.341 25.399 27.740 0.001 0.000 1.893 148 C HN 1.141 nan 8.230 nan 0.000 0.577 149 E N -1.643 118.546 120.200 -0.019 0.000 8.073 149 E HA -0.153 4.199 4.350 0.003 0.000 0.466 149 E C 0.582 177.166 176.600 -0.026 0.000 0.782 149 E CA 0.471 56.855 56.400 -0.026 0.000 1.366 149 E CB -0.739 28.937 29.700 -0.040 0.000 0.986 149 E HN 0.370 nan 8.360 nan 0.000 0.263 150 T N 0.873 115.410 114.554 -0.028 0.000 2.706 150 T HA -0.033 4.318 4.350 0.003 0.000 0.255 150 T C 0.407 175.081 174.700 -0.042 0.000 1.048 150 T CA 1.381 63.464 62.100 -0.028 0.000 1.153 150 T CB -0.048 68.805 68.868 -0.024 0.000 0.865 150 T HN 0.404 nan 8.240 nan 0.000 0.414 151 D N -1.327 119.040 120.400 -0.055 0.000 2.921 151 D HA 0.549 5.190 4.640 0.003 0.000 0.329 151 D C -1.398 174.839 176.300 -0.104 0.000 1.293 151 D CA -0.442 53.508 54.000 -0.084 0.000 0.964 151 D CB 2.022 42.777 40.800 -0.076 0.000 1.435 151 D HN -0.060 nan 8.370 nan 0.000 0.548 152 V N 1.283 121.103 119.914 -0.156 0.000 2.735 152 V HA 0.428 4.549 4.120 0.003 0.000 0.310 152 V C -2.345 173.685 176.094 -0.107 0.000 1.061 152 V CA -1.664 60.543 62.300 -0.155 0.000 0.913 152 V CB 1.902 33.567 31.823 -0.264 0.000 1.005 152 V HN 0.359 nan 8.190 nan 0.000 0.428 153 P HA 0.101 nan 4.420 nan 0.000 0.266 153 P C 0.038 177.354 177.300 0.028 0.000 1.195 153 P CA 0.534 63.628 63.100 -0.010 0.000 0.768 153 P CB 0.561 32.260 31.700 -0.002 0.000 0.838 162 V N -0.313 119.580 119.914 -0.035 0.000 2.638 162 V HA 0.869 4.991 4.120 0.003 0.000 0.306 162 V C -0.019 176.025 176.094 -0.083 0.000 1.052 162 V CA -0.613 61.670 62.300 -0.029 0.000 0.885 162 V CB 1.739 33.590 31.823 0.047 0.000 0.999 162 V HN 0.761 nan 8.190 nan 0.000 0.424 163 S N 4.782 120.454 115.700 -0.046 0.000 2.541 163 S HA 0.919 5.390 4.470 0.003 0.000 0.283 163 S C -0.135 174.439 174.600 -0.044 0.000 1.196 163 S CA -0.447 57.722 58.200 -0.053 0.000 1.062 163 S CB 1.944 65.125 63.200 -0.031 0.000 1.009 163 S HN 1.199 nan 8.310 nan 0.000 0.502 164 R N 2.303 122.770 120.500 -0.056 0.000 3.326 164 R HA 0.777 5.119 4.340 0.003 0.000 0.149 164 R C 0.517 176.795 176.300 -0.036 0.000 0.820 164 R CA -0.806 55.273 56.100 -0.035 0.000 0.573 164 R CB -0.364 29.918 30.300 -0.031 0.000 1.019 164 R HN 0.704 nan 8.270 nan 0.000 0.362 165 G N -1.309 107.470 108.800 -0.034 0.000 2.531 165 G HA2 0.580 4.542 3.960 0.003 0.000 0.313 165 G HA3 0.580 4.542 3.960 0.003 0.000 0.313 165 G C -0.474 174.407 174.900 -0.033 0.000 1.238 165 G CA -0.722 44.359 45.100 -0.032 0.000 0.994 165 G HN 0.915 nan 8.290 nan 0.000 0.493 166 G N -2.255 106.531 108.800 -0.023 0.000 2.760 166 G HA2 0.454 4.416 3.960 0.003 0.000 0.540 166 G HA3 0.454 4.416 3.960 0.003 0.000 0.540 166 G C -0.526 174.372 174.900 -0.003 0.000 1.476 166 G CA -0.252 44.838 45.100 -0.016 0.000 0.949 166 G HN 1.889 nan 8.290 nan 0.000 0.633 167 C N 2.557 121.868 119.300 0.017 0.000 2.316 167 C HA 0.841 5.303 4.460 0.003 0.000 0.324 167 C C 1.971 176.996 174.990 0.059 0.000 1.226 167 C CA 0.325 59.366 59.018 0.037 0.000 1.450 167 C CB 0.589 28.360 27.740 0.052 0.000 2.123 167 C HN 2.235 nan 8.230 nan 0.000 0.454 168 G N 4.250 113.076 108.800 0.043 0.000 2.830 168 G HA2 -0.312 3.650 3.960 0.003 0.000 0.230 168 G HA3 -0.312 3.650 3.960 0.003 0.000 0.230 168 G C 0.615 175.564 174.900 0.082 0.000 1.172 168 G CA 1.270 46.399 45.100 0.048 0.000 0.764 168 G HN 1.041 nan 8.290 nan 0.000 0.640 169 N N 2.035 120.813 118.700 0.130 0.000 1.920 169 N HA -0.039 4.703 4.740 0.003 0.000 0.307 169 N C 0.598 176.224 175.510 0.192 0.000 1.305 169 N CA 1.111 54.285 53.050 0.208 0.000 0.800 169 N CB -0.215 38.464 38.487 0.321 0.000 1.035 169 N HN 0.560 nan 8.380 nan 0.000 0.498 170 T N -0.854 113.832 114.554 0.219 0.000 2.860 170 T HA 0.013 4.365 4.350 0.003 0.000 0.299 170 T C 0.307 174.991 174.700 -0.026 0.000 1.045 170 T CA -0.748 61.402 62.100 0.084 0.000 1.071 170 T CB 1.444 70.345 68.868 0.055 0.000 0.985 170 T HN 0.556 nan 8.240 nan 0.000 0.537 171 Q N 2.057 121.787 119.800 -0.117 0.000 2.293 171 Q HA 0.266 4.607 4.340 0.003 0.000 0.263 171 Q C -2.327 173.471 176.000 -0.338 0.000 1.002 171 Q CA -1.868 53.812 55.803 -0.205 0.000 0.910 171 Q CB 0.416 29.065 28.738 -0.148 0.000 1.185 171 Q HN 0.467 nan 8.270 nan 0.000 0.401 172 P HA 0.075 nan 4.420 nan 0.000 0.275 172 P C -0.893 176.179 177.300 -0.381 0.000 1.266 172 P CA -0.343 62.326 63.100 -0.719 0.000 0.793 172 P CB 0.492 31.509 31.700 -1.138 0.000 1.074 173 T N 0.933 115.304 114.554 -0.306 0.000 3.781 173 T HA 0.252 4.603 4.350 0.003 0.000 0.286 173 T C 0.608 175.224 174.700 -0.140 0.000 1.277 173 T CA -0.081 61.916 62.100 -0.171 0.000 1.136 173 T CB -1.376 67.425 68.868 -0.112 0.000 1.202 173 T HN 0.176 nan 8.240 nan 0.000 0.884 174 I N 2.853 123.349 120.570 -0.124 0.000 2.618 174 I HA 0.228 4.400 4.170 0.003 0.000 0.284 174 I C 0.929 177.042 176.117 -0.007 0.000 1.146 174 I CA 0.152 61.412 61.300 -0.067 0.000 1.425 174 I CB 0.352 38.333 38.000 -0.032 0.000 1.383 174 I HN 0.327 nan 8.210 nan 0.000 0.562 175 R N 4.744 125.244 120.500 -0.001 0.000 2.855 175 R HA 0.415 4.757 4.340 0.003 0.000 0.266 175 R C -0.942 175.365 176.300 0.011 0.000 1.034 175 R CA -1.024 55.084 56.100 0.015 0.000 0.944 175 R CB 2.157 32.461 30.300 0.006 0.000 1.219 175 R HN 0.509 nan 8.270 nan 0.000 0.474 176 K N 1.698 122.104 120.400 0.009 0.000 2.263 176 K HA 0.154 4.476 4.320 0.003 0.000 0.272 176 K C -1.485 175.110 176.600 -0.008 0.000 1.033 176 K CA -0.278 56.003 56.287 -0.011 0.000 0.884 176 K CB 1.011 33.506 32.500 -0.008 0.000 1.107 176 K HN 0.372 nan 8.250 nan 0.000 0.460 177 D N 3.717 124.107 120.400 -0.018 0.000 2.464 177 D HA 0.310 4.952 4.640 0.003 0.000 0.243 177 D C 0.798 177.091 176.300 -0.012 0.000 1.104 177 D CA 0.782 54.780 54.000 -0.002 0.000 0.883 177 D CB 0.998 41.808 40.800 0.016 0.000 1.050 177 D HN 0.838 nan 8.370 nan 0.000 0.524 178 G N 2.988 111.785 108.800 -0.006 0.000 3.434 178 G HA2 -0.368 3.593 3.960 0.003 0.000 0.343 178 G HA3 -0.368 3.593 3.960 0.003 0.000 0.343 178 G C 0.916 175.791 174.900 -0.041 0.000 1.240 178 G CA 0.980 46.082 45.100 0.003 0.000 0.996 178 G HN 0.512 nan 8.290 nan 0.000 0.650 179 L N -0.092 121.104 121.223 -0.045 0.000 2.717 179 L HA 0.424 4.765 4.340 0.003 0.000 0.239 179 L C 1.264 177.923 176.870 -0.352 0.000 1.086 179 L CA 0.122 54.887 54.840 -0.126 0.000 0.897 179 L CB 0.297 42.371 42.059 0.025 0.000 1.214 179 L HN 0.170 nan 8.230 nan 0.000 0.508 180 K N 0.484 120.780 120.400 -0.173 0.000 2.240 180 K HA 0.681 5.002 4.320 0.003 0.000 0.237 180 K C -0.877 175.633 176.600 -0.149 0.000 1.027 180 K CA -0.252 55.944 56.287 -0.151 0.000 0.937 180 K CB 1.172 33.741 32.500 0.115 0.000 1.171 180 K HN -0.144 nan 8.250 nan 0.000 0.479 181 L N 0.791 122.004 121.223 -0.016 0.000 2.381 181 L HA 0.482 4.824 4.340 0.003 0.000 0.274 181 L C -0.948 175.967 176.870 0.074 0.000 0.988 181 L CA -0.970 53.881 54.840 0.018 0.000 0.824 181 L CB 1.846 43.933 42.059 0.048 0.000 1.263 181 L HN 0.253 nan 8.230 nan 0.000 0.410 182 V N 0.944 120.885 119.914 0.045 0.000 3.193 182 V HA 0.912 5.034 4.120 0.003 0.000 0.320 182 V C 0.307 176.402 176.094 0.002 0.000 1.112 182 V CA -0.605 61.729 62.300 0.057 0.000 1.026 182 V CB 1.909 33.760 31.823 0.048 0.000 1.128 182 V HN 0.850 nan 8.190 nan 0.000 0.452 183 G N 0.005 108.802 108.800 -0.004 0.000 2.760 183 G HA2 0.506 4.468 3.960 0.003 0.000 0.296 183 G HA3 0.506 4.468 3.960 0.003 0.000 0.296 183 G C -1.268 173.506 174.900 -0.210 0.000 1.427 183 G CA -0.278 44.669 45.100 -0.255 0.000 1.109 183 G HN 0.677 nan 8.290 nan 0.000 0.553 184 S N 1.373 116.902 115.700 -0.285 0.000 2.489 184 S HA 0.755 5.227 4.470 0.003 0.000 0.291 184 S C -0.712 173.765 174.600 -0.205 0.000 1.151 184 S CA -0.648 57.498 58.200 -0.090 0.000 1.082 184 S CB 0.754 63.923 63.200 -0.051 0.000 1.019 184 S HN 0.460 nan 8.310 nan 0.000 0.492 185 W N 3.239 124.545 121.300 0.010 0.000 2.689 185 W HA 0.586 5.248 4.660 0.003 0.000 0.340 185 W C 0.142 176.664 176.519 0.005 0.000 1.060 185 W CA -0.764 56.587 57.345 0.009 0.000 1.218 185 W CB 2.149 31.620 29.460 0.018 0.000 1.410 185 W HN 0.742 nan 8.180 nan 0.000 0.528 200 R N 0.994 121.668 120.500 0.290 0.000 2.756 200 R HA 0.418 4.760 4.340 0.003 0.000 0.264 200 R C -1.148 175.333 176.300 0.301 0.000 1.026 200 R CA -0.204 56.044 56.100 0.247 0.000 1.121 200 R CB 0.802 31.167 30.300 0.107 0.000 0.999 200 R HN 0.409 nan 8.270 nan 0.000 0.449 201 V N 5.622 125.664 119.914 0.213 0.000 2.398 201 V HA 0.198 4.320 4.120 0.003 0.000 0.286 201 V C -0.145 176.074 176.094 0.208 0.000 1.026 201 V CA -0.817 61.600 62.300 0.195 0.000 0.868 201 V CB 1.477 33.395 31.823 0.157 0.000 0.982 201 V HN 0.595 nan 8.190 nan 0.000 0.443 202 L N 4.467 125.819 121.223 0.215 0.000 2.433 202 L HA 0.202 4.543 4.340 0.003 0.000 0.284 202 L C 0.973 177.979 176.870 0.228 0.000 1.120 202 L CA 1.047 56.014 54.840 0.213 0.000 0.879 202 L CB 0.598 42.771 42.059 0.190 0.000 1.232 202 L HN 0.752 nan 8.230 nan 0.000 0.454 203 S N 1.483 117.287 115.700 0.174 0.000 2.566 203 S HA 0.013 4.484 4.470 0.003 0.000 0.280 203 S C 1.496 176.148 174.600 0.087 0.000 1.343 203 S CA -0.065 58.218 58.200 0.137 0.000 1.036 203 S CB 0.673 63.926 63.200 0.088 0.000 0.866 203 S HN 0.781 nan 8.310 nan 0.000 0.526 204 T N 3.238 117.766 114.554 -0.044 0.000 2.821 204 T HA -0.079 4.273 4.350 0.003 0.000 0.267 204 T C 1.627 176.226 174.700 -0.169 0.000 1.046 204 T CA 1.391 63.279 62.100 -0.352 0.000 1.139 204 T CB -0.287 68.161 68.868 -0.699 0.000 0.871 204 T HN 0.791 nan 8.240 nan 0.000 0.454 205 E N 0.699 120.853 120.200 -0.076 0.000 2.152 205 E HA -0.114 4.238 4.350 0.003 0.000 0.192 205 E C 2.301 178.903 176.600 0.003 0.000 0.983 205 E CA 0.458 56.842 56.400 -0.027 0.000 0.818 205 E CB 0.090 29.783 29.700 -0.011 0.000 0.758 205 E HN 0.363 nan 8.360 nan 0.000 0.467 206 E N 0.501 120.713 120.200 0.021 0.000 2.023 206 E HA -0.208 4.143 4.350 0.003 0.000 0.196 206 E C 2.062 178.675 176.600 0.021 0.000 1.003 206 E CA 1.372 57.796 56.400 0.039 0.000 0.809 206 E CB -0.139 29.604 29.700 0.072 0.000 0.755 206 E HN 0.402 nan 8.360 nan 0.000 0.449 207 I N 1.307 121.898 120.570 0.033 0.000 2.830 207 I HA -0.195 3.977 4.170 0.003 0.000 0.263 207 I C 2.543 178.693 176.117 0.055 0.000 1.230 207 I CA 0.220 61.526 61.300 0.011 0.000 1.480 207 I CB -0.201 37.884 38.000 0.142 0.000 1.095 207 I HN 0.125 nan 8.210 nan 0.000 0.455 208 L N 1.129 122.402 121.223 0.083 0.000 2.005 208 L HA -0.226 4.116 4.340 0.003 0.000 0.207 208 L C 2.493 179.403 176.870 0.066 0.000 1.072 208 L CA 1.819 56.731 54.840 0.121 0.000 0.744 208 L CB -0.550 41.552 42.059 0.072 0.000 0.895 208 L HN 0.392 nan 8.230 nan 0.000 0.433 209 N N 0.555 119.258 118.700 0.004 0.000 2.104 209 N HA -0.218 4.524 4.740 0.003 0.000 0.190 209 N C 1.775 177.248 175.510 -0.060 0.000 1.024 209 N CA 1.553 54.572 53.050 -0.052 0.000 0.853 209 N CB -0.030 38.444 38.487 -0.021 0.000 1.008 209 N HN 0.294 nan 8.380 nan 0.000 0.424 210 I N 0.356 120.887 120.570 -0.064 0.000 2.286 210 I HA -0.205 3.966 4.170 0.003 0.000 0.248 210 I C 1.810 177.849 176.117 -0.129 0.000 1.115 210 I CA 0.893 62.124 61.300 -0.115 0.000 1.392 210 I CB -1.457 36.391 38.000 -0.254 0.000 1.065 210 I HN 0.018 nan 8.210 nan 0.000 0.418 211 F N 1.224 121.175 119.950 0.001 0.000 2.234 211 F HA -0.026 4.503 4.527 0.003 0.000 0.296 211 F C 2.477 178.247 175.800 -0.049 0.000 1.089 211 F CA 0.779 58.763 58.000 -0.026 0.000 1.343 211 F CB -0.832 38.147 39.000 -0.035 0.000 1.040 211 F HN -0.005 nan 8.300 nan 0.000 0.498 212 K N -0.861 119.586 120.400 0.079 0.000 2.281 212 K HA -0.171 4.150 4.320 0.003 0.000 0.203 212 K C 1.592 178.113 176.600 -0.132 0.000 1.046 212 K CA 1.052 57.306 56.287 -0.054 0.000 0.938 212 K CB 0.018 32.438 32.500 -0.133 0.000 0.737 212 K HN 0.272 nan 8.250 nan 0.000 0.458 213 H N -0.369 118.720 119.070 0.033 0.000 2.899 213 H HA 0.126 4.684 4.556 0.003 0.000 0.311 213 H C 1.205 176.495 175.328 -0.064 0.000 1.365 213 H CA 0.526 56.566 56.048 -0.013 0.000 2.013 213 H CB -0.079 29.669 29.762 -0.023 0.000 1.581 213 H HN -0.098 nan 8.280 nan 0.000 0.653 214 I N -0.274 120.342 120.570 0.077 0.000 9.313 214 I HA -0.273 3.898 4.170 0.003 0.000 0.127 214 I C 0.567 176.556 176.117 -0.213 0.000 1.859 214 I CA 0.459 61.704 61.300 -0.092 0.000 2.056 214 I CB -0.950 36.980 38.000 -0.117 0.000 3.975 214 I HN 0.559 nan 8.210 nan 0.000 0.175 215 S N 0.624 116.137 115.700 -0.312 0.000 2.549 215 S HA 0.586 5.058 4.470 0.003 0.000 0.297 215 S C 0.877 175.136 174.600 -0.569 0.000 1.115 215 S CA -0.232 57.778 58.200 -0.317 0.000 1.059 215 S CB 1.839 64.928 63.200 -0.185 0.000 1.046 215 S HN 0.383 nan 8.310 nan 0.000 0.506 216 V N 4.953 124.626 119.914 -0.402 0.000 2.427 216 V HA -0.068 4.053 4.120 0.003 0.000 0.248 216 V C 2.548 178.535 176.094 -0.179 0.000 1.051 216 V CA 1.870 63.961 62.300 -0.348 0.000 1.048 216 V CB -0.787 30.987 31.823 -0.082 0.000 0.666 216 V HN 0.940 nan 8.190 nan 0.000 0.456 217 K N -0.242 120.086 120.400 -0.120 0.000 2.288 217 K HA -0.143 4.179 4.320 0.003 0.000 0.201 217 K C 1.263 177.842 176.600 -0.035 0.000 1.048 217 K CA 1.030 57.295 56.287 -0.037 0.000 0.956 217 K CB -0.052 32.431 32.500 -0.027 0.000 0.746 217 K HN 0.398 nan 8.250 nan 0.000 0.461 218 D N -0.304 120.012 120.400 -0.140 0.000 2.340 218 D HA 0.003 4.644 4.640 0.003 0.000 0.220 218 D C 0.999 177.257 176.300 -0.070 0.000 1.039 218 D CA 0.331 54.268 54.000 -0.106 0.000 0.866 218 D CB 0.092 40.804 40.800 -0.146 0.000 0.913 218 D HN 0.199 nan 8.370 nan 0.000 0.523 219 F N 0.746 120.679 119.950 -0.029 0.000 2.085 219 F HA -0.122 4.406 4.527 0.003 0.000 0.284 219 F C 2.580 178.468 175.800 0.147 0.000 1.127 219 F CA 0.703 58.683 58.000 -0.033 0.000 1.164 219 F CB -0.573 38.399 39.000 -0.047 0.000 1.035 219 F HN -0.126 nan 8.300 nan 0.000 0.481 220 T N 0.127 114.887 114.554 0.344 0.000 2.680 220 T HA -0.290 4.062 4.350 0.003 0.000 0.268 220 T C 2.103 176.929 174.700 0.209 0.000 1.033 220 T CA 1.859 64.103 62.100 0.241 0.000 1.152 220 T CB -0.803 68.159 68.868 0.156 0.000 0.859 220 T HN 0.402 nan 8.240 nan 0.000 0.452 221 S N 2.760 118.566 115.700 0.177 0.000 2.353 221 S HA -0.119 4.352 4.470 0.003 0.000 0.222 221 S C 1.493 176.221 174.600 0.213 0.000 1.035 221 S CA 1.221 59.512 58.200 0.151 0.000 1.025 221 S CB -0.777 62.485 63.200 0.104 0.000 0.902 221 S HN 0.504 nan 8.310 nan 0.000 0.440 222 L N 0.305 121.714 121.223 0.309 0.000 2.928 222 L HA 0.722 5.063 4.340 0.003 0.000 0.236 222 L C 0.975 178.194 176.870 0.582 0.000 1.290 222 L CA 0.096 55.216 54.840 0.467 0.000 1.099 222 L CB -0.645 41.685 42.059 0.452 0.000 1.437 222 L HN 0.434 nan 8.230 nan 0.000 0.493 223 G N -1.112 107.888 108.800 0.333 0.000 2.303 223 G HA2 -0.254 3.707 3.960 0.003 0.000 0.260 223 G HA3 -0.254 3.707 3.960 0.003 0.000 0.260 223 G C -0.325 174.472 174.900 -0.171 0.000 1.106 223 G CA -0.225 44.915 45.100 0.067 0.000 0.900 223 G HN 0.258 nan 8.290 nan 0.000 0.495 224 F N -0.717 119.270 119.950 0.062 0.000 2.664 224 F HA 0.694 5.223 4.527 0.003 0.000 0.329 224 F C 0.337 176.127 175.800 -0.017 0.000 1.090 224 F CA -1.165 56.831 58.000 -0.007 0.000 0.978 224 F CB 2.260 41.242 39.000 -0.031 0.000 1.378 224 F HN 0.076 nan 8.300 nan 0.000 0.495 225 N N 0.527 119.302 118.700 0.124 0.000 2.607 225 N HA 0.148 4.890 4.740 0.003 0.000 0.271 225 N C 0.358 175.787 175.510 -0.134 0.000 1.142 225 N CA -0.106 52.952 53.050 0.013 0.000 0.810 225 N CB 0.811 39.331 38.487 0.054 0.000 1.306 225 N HN 0.718 nan 8.380 nan 0.000 0.536 226 E N 0.937 121.040 120.200 -0.162 0.000 2.571 226 E HA -0.388 3.963 4.350 0.003 0.000 0.249 226 E C 0.911 177.397 176.600 -0.191 0.000 1.061 226 E CA 2.810 59.097 56.400 -0.188 0.000 1.264 226 E CB -0.023 29.669 29.700 -0.012 0.000 1.145 226 E HN 0.478 nan 8.360 nan 0.000 0.484 227 V N -0.755 119.053 119.914 -0.176 0.000 2.446 227 V HA -0.098 4.024 4.120 0.003 0.000 0.244 227 V C 1.988 178.166 176.094 0.140 0.000 1.039 227 V CA 1.776 64.018 62.300 -0.096 0.000 1.045 227 V CB -0.572 31.078 31.823 -0.288 0.000 0.681 227 V HN 0.280 nan 8.190 nan 0.000 0.459 228 F N 1.149 121.173 119.950 0.124 0.000 2.147 228 F HA 0.098 4.627 4.527 0.003 0.000 0.291 228 F C 1.375 177.329 175.800 0.258 0.000 1.093 228 F CA 0.834 58.915 58.000 0.134 0.000 1.263 228 F CB 0.070 39.099 39.000 0.048 0.000 1.036 228 F HN 0.270 nan 8.300 nan 0.000 0.481 229 S N 0.231 116.141 115.700 0.350 0.000 2.677 229 S HA 0.616 5.088 4.470 0.003 0.000 0.283 229 S C -0.975 173.622 174.600 -0.005 0.000 1.159 229 S CA -0.835 57.538 58.200 0.289 0.000 1.001 229 S CB 1.860 65.175 63.200 0.192 0.000 1.032 229 S HN 0.141 nan 8.310 nan 0.000 0.487 230 R N 3.026 123.323 120.500 -0.338 0.000 2.670 230 R HA 0.488 4.830 4.340 0.003 0.000 0.289 230 R C -2.208 173.719 176.300 -0.622 0.000 0.965 230 R CA -2.440 53.094 56.100 -0.943 0.000 0.899 230 R CB 1.609 30.846 30.300 -1.772 0.000 1.173 230 R HN 0.330 nan 8.270 nan 0.000 0.456 231 P HA -0.244 nan 4.420 nan 0.000 0.217 231 P C 0.711 177.682 177.300 -0.549 0.000 1.148 231 P CA 1.196 63.839 63.100 -0.761 0.000 0.828 231 P CB 0.219 31.255 31.700 -1.107 0.000 0.783 232 E N -1.532 118.450 120.200 -0.363 0.000 2.478 232 E HA -0.161 4.191 4.350 0.003 0.000 0.198 232 E C 0.831 177.494 176.600 0.106 0.000 1.046 232 E CA 0.825 57.171 56.400 -0.090 0.000 0.870 232 E CB -0.703 28.967 29.700 -0.050 0.000 0.818 232 E HN 0.343 nan 8.360 nan 0.000 0.527 233 W N 0.346 121.605 121.300 -0.068 0.000 2.907 233 W HA 0.334 4.996 4.660 0.003 0.000 0.271 233 W C 2.004 178.490 176.519 -0.054 0.000 1.253 233 W CA -0.586 56.749 57.345 -0.016 0.000 1.501 233 W CB -0.661 28.800 29.460 0.003 0.000 1.047 233 W HN 0.063 nan 8.180 nan 0.000 0.610 234 M N 0.713 120.292 119.600 -0.035 0.000 2.346 234 M HA -0.104 4.378 4.480 0.003 0.000 0.263 234 M C -0.097 176.187 176.300 -0.028 0.000 1.064 234 M CA 1.506 56.620 55.300 -0.310 0.000 1.083 234 M CB -0.090 32.186 32.600 -0.540 0.000 1.399 234 M HN -0.290 nan 8.290 nan 0.000 0.435 235 I N -0.337 120.293 120.570 0.099 0.000 2.607 235 I HA 0.333 4.505 4.170 0.003 0.000 0.305 235 I C -0.818 175.424 176.117 0.208 0.000 0.995 235 I CA -0.739 60.681 61.300 0.200 0.000 1.148 235 I CB 1.252 39.357 38.000 0.175 0.000 1.323 235 I HN -0.095 nan 8.210 nan 0.000 0.461 236 L N 3.680 125.012 121.223 0.182 0.000 2.289 236 L HA 0.499 4.841 4.340 0.003 0.000 0.285 236 L C 0.522 177.450 176.870 0.095 0.000 1.049 236 L CA -0.056 54.882 54.840 0.163 0.000 0.804 236 L CB 1.482 43.632 42.059 0.153 0.000 1.195 236 L HN 0.870 nan 8.230 nan 0.000 0.428 237 T N -0.544 114.069 114.554 0.098 0.000 3.391 237 T HA 0.036 4.388 4.350 0.003 0.000 0.233 237 T C 0.056 174.784 174.700 0.046 0.000 0.960 237 T CA 0.043 62.186 62.100 0.070 0.000 1.342 237 T CB 0.301 69.221 68.868 0.087 0.000 1.124 237 T HN 0.541 nan 8.240 nan 0.000 0.396 238 C N 3.514 122.836 119.300 0.038 0.000 2.369 238 C HA 0.840 5.302 4.460 0.003 0.000 0.322 238 C C -1.014 173.973 174.990 -0.004 0.000 1.258 238 C CA -1.430 57.603 59.018 0.026 0.000 1.487 238 C CB -0.848 26.911 27.740 0.032 0.000 2.165 238 C HN 0.583 nan 8.230 nan 0.000 0.483 239 L N 6.490 127.706 121.223 -0.011 0.000 2.325 239 L HA 0.821 5.162 4.340 0.003 0.000 0.278 239 L C -2.567 174.282 176.870 -0.034 0.000 1.023 239 L CA -1.888 52.935 54.840 -0.028 0.000 0.811 239 L CB 0.729 42.775 42.059 -0.022 0.000 1.249 239 L HN 0.420 nan 8.230 nan 0.000 0.431 240 P HA 0.049 nan 4.420 nan 0.000 0.267 240 P C -0.681 176.776 177.300 0.261 0.000 1.209 240 P CA -0.014 63.106 63.100 0.033 0.000 0.763 240 P CB 1.065 32.638 31.700 -0.212 0.000 0.816 241 V N 6.914 126.993 119.914 0.275 0.000 2.320 241 V HA 0.183 4.305 4.120 0.003 0.000 0.265 241 V C -1.758 174.336 176.094 -0.000 0.000 1.048 241 V CA -1.889 60.493 62.300 0.137 0.000 0.865 241 V CB 0.742 32.582 31.823 0.028 0.000 1.043 241 V HN 0.521 nan 8.190 nan 0.000 0.474 242 P HA 0.244 nan 4.420 nan 0.000 0.271 242 P C -2.703 174.391 177.300 -0.342 0.000 1.220 242 P CA -1.414 61.378 63.100 -0.513 0.000 0.768 242 P CB 0.445 32.080 31.700 -0.108 0.000 0.848 243 P HA 0.186 nan 4.420 nan 0.000 0.274 243 P C -1.838 175.386 177.300 -0.126 0.000 1.246 243 P CA -1.728 61.254 63.100 -0.196 0.000 0.795 243 P CB -0.642 30.969 31.700 -0.148 0.000 1.006 244 P HA -0.162 nan 4.420 nan 0.000 0.217 244 P C -1.258 176.006 177.300 -0.060 0.000 1.158 244 P CA 2.521 65.589 63.100 -0.053 0.000 0.887 244 P CB -2.013 29.666 31.700 -0.035 0.000 0.792 245 P HA -0.085 nan 4.420 nan 0.000 0.235 245 P C 0.801 178.065 177.300 -0.060 0.000 1.166 245 P CA 1.052 64.114 63.100 -0.064 0.000 0.760 245 P CB -0.452 31.204 31.700 -0.074 0.000 0.815 246 V N -1.247 118.627 119.914 -0.067 0.000 3.635 246 V HA 0.106 4.228 4.120 0.003 0.000 0.266 246 V C 0.955 177.024 176.094 -0.042 0.000 1.316 246 V CA 0.500 62.770 62.300 -0.050 0.000 1.060 246 V CB -0.187 31.604 31.823 -0.054 0.000 0.820 246 V HN 0.183 nan 8.190 nan 0.000 0.447 247 R N -0.201 120.271 120.500 -0.046 0.000 2.684 247 R HA 0.394 4.736 4.340 0.003 0.000 0.252 247 R C -3.026 173.243 176.300 -0.052 0.000 1.628 247 R CA -1.293 54.779 56.100 -0.046 0.000 1.622 247 R CB 0.256 30.539 30.300 -0.028 0.000 1.418 247 R HN 0.179 nan 8.270 nan 0.000 0.697 248 P HA 0.131 nan 4.420 nan 0.000 0.323 248 P C 0.016 177.282 177.300 -0.057 0.000 1.374 248 P CA -0.036 63.034 63.100 -0.051 0.000 0.798 248 P CB 0.539 32.211 31.700 -0.047 0.000 1.763 249 S N -1.409 114.259 115.700 -0.053 0.000 4.057 249 S HA 0.310 4.782 4.470 0.003 0.000 0.197 249 S C 0.360 174.924 174.600 -0.060 0.000 1.154 249 S CA -0.405 57.762 58.200 -0.055 0.000 1.556 249 S CB -0.723 62.450 63.200 -0.045 0.000 1.405 249 S HN 0.525 nan 8.310 nan 0.000 0.786 250 I N 2.632 123.165 120.570 -0.062 0.000 3.161 250 I HA 0.309 4.481 4.170 0.003 0.000 0.284 250 I C 0.300 176.371 176.117 -0.077 0.000 1.252 250 I CA 0.194 61.444 61.300 -0.082 0.000 1.374 250 I CB -0.218 37.728 38.000 -0.090 0.000 1.359 250 I HN 0.752 nan 8.210 nan 0.000 0.606 251 S N 3.874 119.501 115.700 -0.121 0.000 4.422 251 S HA 0.377 4.848 4.470 0.003 0.000 0.210 251 S C 1.059 175.628 174.600 -0.052 0.000 1.082 251 S CA 0.134 58.295 58.200 -0.064 0.000 1.813 251 S CB -0.325 62.862 63.200 -0.021 0.000 0.877 251 S HN 0.779 nan 8.310 nan 0.000 0.755 252 F N 3.681 123.628 119.950 -0.005 0.000 2.325 252 F HA 0.084 4.612 4.527 0.002 0.000 0.299 252 F C 1.450 177.249 175.800 -0.002 0.000 1.090 252 F CA 0.462 58.460 58.000 -0.003 0.000 1.392 252 F CB -1.697 37.302 39.000 -0.001 0.000 1.053 252 F HN 0.513 nan 8.300 nan 0.000 0.521 253 N N 0.746 118.945 118.700 -0.836 0.000 1.707 253 N HA -0.314 4.427 4.740 0.003 0.000 0.149 253 N C -0.167 175.220 175.510 -0.206 0.000 0.818 253 N CA 1.368 54.047 53.050 -0.618 0.000 0.887 253 N CB -1.155 36.987 38.487 -0.576 0.000 0.972 253 N HN 0.363 nan 8.380 nan 0.000 1.056 254 E N -2.429 117.672 120.200 -0.164 0.000 5.940 254 E HA -0.129 4.223 4.350 0.003 0.000 0.304 254 E C -1.394 175.173 176.600 -0.055 0.000 1.429 254 E CA 0.849 57.198 56.400 -0.085 0.000 1.225 254 E CB -0.934 28.733 29.700 -0.054 0.000 0.904 254 E HN 0.490 nan 8.360 nan 0.000 0.317 255 S N 3.888 119.559 115.700 -0.048 0.000 2.528 255 S HA 0.534 5.006 4.470 0.003 0.000 0.303 255 S C -0.552 174.008 174.600 -0.067 0.000 1.123 255 S CA -0.416 57.748 58.200 -0.059 0.000 1.138 255 S CB 0.752 63.928 63.200 -0.039 0.000 0.984 255 S HN 0.416 nan 8.310 nan 0.000 0.474 256 Q N 2.280 122.015 119.800 -0.109 0.000 3.509 256 Q HA 0.084 4.425 4.340 0.003 0.000 0.151 256 Q C -0.143 175.733 176.000 -0.207 0.000 0.916 256 Q CA -0.140 55.598 55.803 -0.109 0.000 1.371 256 Q CB 0.191 28.895 28.738 -0.057 0.000 1.311 256 Q HN 0.621 nan 8.270 nan 0.000 0.653 257 R N 0.423 120.805 120.500 -0.197 0.000 2.333 257 R HA -0.001 4.341 4.340 0.003 0.000 0.049 257 R C 0.040 176.291 176.300 -0.081 0.000 0.539 257 R CA 0.612 56.646 56.100 -0.110 0.000 1.141 257 R CB -0.951 29.315 30.300 -0.057 0.000 0.921 257 R HN 0.582 nan 8.270 nan 0.000 0.546 258 G N 1.573 110.318 108.800 -0.092 0.000 2.669 258 G HA2 0.079 4.040 3.960 0.003 0.000 0.227 258 G HA3 0.079 4.040 3.960 0.003 0.000 0.227 258 G C -0.590 174.290 174.900 -0.033 0.000 1.210 258 G CA 0.543 45.626 45.100 -0.030 0.000 0.855 258 G HN 0.480 nan 8.290 nan 0.000 0.551 259 E N -0.863 119.323 120.200 -0.024 0.000 2.433 259 E HA 0.233 4.585 4.350 0.003 0.000 0.273 259 E C -0.923 175.523 176.600 -0.256 0.000 0.950 259 E CA -0.896 55.456 56.400 -0.080 0.000 0.796 259 E CB 1.885 31.586 29.700 0.000 0.000 1.330 259 E HN 0.522 nan 8.360 nan 0.000 0.455 260 D N 0.424 120.687 120.400 -0.228 0.000 2.313 260 D HA 0.016 4.657 4.640 0.003 0.000 0.247 260 D C -0.233 175.822 176.300 -0.408 0.000 1.094 260 D CA -0.136 53.701 54.000 -0.272 0.000 0.925 260 D CB 1.142 41.855 40.800 -0.145 0.000 1.188 260 D HN 0.347 nan 8.370 nan 0.000 0.430 261 D N 2.144 122.322 120.400 -0.369 0.000 2.352 261 D HA 0.040 4.681 4.640 0.003 0.000 0.232 261 D C 1.346 177.586 176.300 -0.101 0.000 1.055 261 D CA 0.224 54.006 54.000 -0.364 0.000 0.891 261 D CB 0.278 40.936 40.800 -0.237 0.000 0.897 261 D HN 0.365 nan 8.370 nan 0.000 0.529 262 L N -0.286 120.906 121.223 -0.052 0.000 2.408 262 L HA 0.000 4.342 4.340 0.003 0.000 0.215 262 L C 1.683 178.640 176.870 0.145 0.000 1.081 262 L CA 0.718 55.600 54.840 0.070 0.000 0.840 262 L CB 0.038 42.127 42.059 0.050 0.000 1.002 262 L HN -0.018 nan 8.230 nan 0.000 0.468 263 T N -0.938 113.665 114.554 0.081 0.000 3.072 263 T HA -0.061 4.290 4.350 0.003 0.000 0.266 263 T C 1.604 176.465 174.700 0.269 0.000 1.127 263 T CA 0.724 62.902 62.100 0.131 0.000 1.107 263 T CB -0.205 68.713 68.868 0.083 0.000 0.910 263 T HN 0.201 nan 8.240 nan 0.000 0.513 264 F N 1.213 121.179 119.950 0.027 0.000 2.407 264 F HA 0.080 4.609 4.527 0.003 0.000 0.299 264 F C 2.486 178.279 175.800 -0.011 0.000 1.097 264 F CA 0.365 58.369 58.000 0.008 0.000 1.422 264 F CB 0.108 39.117 39.000 0.015 0.000 1.067 264 F HN 0.096 nan 8.300 nan 0.000 0.539 265 K N -0.255 120.276 120.400 0.217 0.000 2.370 265 K HA 0.165 4.486 4.320 0.003 0.000 0.194 265 K C 1.192 177.816 176.600 0.040 0.000 1.070 265 K CA -0.011 56.341 56.287 0.109 0.000 0.998 265 K CB 0.429 33.055 32.500 0.210 0.000 0.911 265 K HN 0.185 nan 8.250 nan 0.000 0.533 266 L N 1.194 122.461 121.223 0.074 0.000 2.855 266 L HA 0.021 4.363 4.340 0.003 0.000 0.257 266 L C 1.029 177.888 176.870 -0.019 0.000 1.206 266 L CA 0.197 55.012 54.840 -0.042 0.000 1.042 266 L CB -0.276 41.784 42.059 0.002 0.000 1.321 266 L HN 0.185 nan 8.230 nan 0.000 0.417 267 A N -1.789 121.019 122.820 -0.021 0.000 1.857 267 A HA 0.047 4.368 4.320 0.003 0.000 0.198 267 A C 1.551 179.089 177.584 -0.078 0.000 1.775 267 A CA -0.158 51.862 52.037 -0.029 0.000 1.281 267 A CB 0.188 19.190 19.000 0.003 0.000 1.355 267 A HN 0.245 nan 8.150 nan 0.000 0.417 268 D N 0.771 121.077 120.400 -0.156 0.000 2.178 268 D HA -0.055 4.587 4.640 0.003 0.000 0.202 268 D C 1.736 177.943 176.300 -0.154 0.000 0.974 268 D CA 1.001 54.801 54.000 -0.333 0.000 0.841 268 D CB -0.094 40.182 40.800 -0.873 0.000 0.953 268 D HN 0.517 nan 8.370 nan 0.000 0.478 269 I N 0.373 120.894 120.570 -0.082 0.000 2.202 269 I HA -0.208 3.964 4.170 0.003 0.000 0.242 269 I C 2.457 178.570 176.117 -0.008 0.000 1.091 269 I CA 0.597 61.901 61.300 0.007 0.000 1.368 269 I CB 0.004 37.946 38.000 -0.097 0.000 1.058 269 I HN -0.022 nan 8.210 nan 0.000 0.410 270 L N 0.526 121.722 121.223 -0.044 0.000 2.044 270 L HA -0.207 4.134 4.340 0.003 0.000 0.205 270 L C 2.635 179.488 176.870 -0.028 0.000 1.075 270 L CA 1.504 56.316 54.840 -0.046 0.000 0.747 270 L CB -0.318 41.709 42.059 -0.052 0.000 0.903 270 L HN 0.112 nan 8.230 nan 0.000 0.435 271 K N -0.190 120.199 120.400 -0.018 0.000 2.148 271 K HA -0.118 4.204 4.320 0.003 0.000 0.204 271 K C 1.524 178.137 176.600 0.022 0.000 1.050 271 K CA 1.258 57.541 56.287 -0.006 0.000 0.942 271 K CB 0.048 32.541 32.500 -0.011 0.000 0.724 271 K HN 0.389 nan 8.250 nan 0.000 0.446 272 A N 0.409 123.266 122.820 0.063 0.000 2.307 272 A HA 0.010 4.331 4.320 0.003 0.000 0.218 272 A C 1.313 178.932 177.584 0.060 0.000 1.228 272 A CA 0.391 52.485 52.037 0.095 0.000 0.857 272 A CB -0.259 18.873 19.000 0.220 0.000 0.897 272 A HN 0.396 nan 8.150 nan 0.000 0.495 273 N N -0.431 118.285 118.700 0.027 0.000 2.499 273 N HA 0.138 4.879 4.740 0.003 0.000 0.182 273 N C 1.310 176.812 175.510 -0.012 0.000 1.034 273 N CA 0.478 53.531 53.050 0.005 0.000 0.882 273 N CB -0.006 38.474 38.487 -0.012 0.000 1.125 273 N HN 0.323 nan 8.380 nan 0.000 0.436 274 I N -0.139 120.414 120.570 -0.028 0.000 2.761 274 I HA -0.063 4.108 4.170 0.003 0.000 0.261 274 I C 1.820 177.924 176.117 -0.021 0.000 1.198 274 I CA 0.425 61.700 61.300 -0.040 0.000 1.482 274 I CB -0.212 37.741 38.000 -0.078 0.000 1.100 274 I HN 0.207 nan 8.210 nan 0.000 0.445 275 S N 0.958 116.653 115.700 -0.007 0.000 2.442 275 S HA -0.126 4.346 4.470 0.003 0.000 0.236 275 S C 1.854 176.452 174.600 -0.003 0.000 1.007 275 S CA 1.098 59.298 58.200 0.000 0.000 0.965 275 S CB -0.021 63.187 63.200 0.013 0.000 0.773 275 S HN 0.325 nan 8.310 nan 0.000 0.504 276 L N 1.174 122.395 121.223 -0.003 0.000 2.202 276 L HA 0.234 4.576 4.340 0.003 0.000 0.205 276 L C 2.126 178.984 176.870 -0.021 0.000 1.083 276 L CA 1.373 56.206 54.840 -0.010 0.000 0.790 276 L CB -0.318 41.739 42.059 -0.003 0.000 0.942 276 L HN 0.210 nan 8.230 nan 0.000 0.452 277 E N -1.241 118.955 120.200 -0.006 0.000 2.208 277 E HA -0.108 4.244 4.350 0.003 0.000 0.193 277 E C 1.291 177.908 176.600 0.030 0.000 0.988 277 E CA 1.375 57.789 56.400 0.023 0.000 0.828 277 E CB -0.089 29.635 29.700 0.040 0.000 0.763 277 E HN 0.457 nan 8.360 nan 0.000 0.478 278 T N 0.962 115.519 114.554 0.004 0.000 3.148 278 T HA 0.118 4.470 4.350 0.003 0.000 0.253 278 T C 1.558 176.249 174.700 -0.015 0.000 1.134 278 T CA 0.293 62.395 62.100 0.003 0.000 1.051 278 T CB 0.183 69.050 68.868 -0.001 0.000 0.959 278 T HN 0.072 nan 8.240 nan 0.000 0.525 279 L N -0.436 120.764 121.223 -0.037 0.000 2.672 279 L HA 0.297 4.639 4.340 0.003 0.000 0.236 279 L C 2.180 178.982 176.870 -0.113 0.000 1.092 279 L CA 0.407 55.213 54.840 -0.058 0.000 0.887 279 L CB 0.351 42.383 42.059 -0.046 0.000 1.168 279 L HN 0.194 nan 8.230 nan 0.000 0.502 280 E N -0.520 119.574 120.200 -0.177 0.000 2.038 280 E HA -0.044 4.308 4.350 0.003 0.000 0.190 280 E C 1.004 177.342 176.600 -0.437 0.000 0.967 280 E CA 0.630 56.800 56.400 -0.383 0.000 0.816 280 E CB 0.256 29.591 29.700 -0.608 0.000 0.784 280 E HN 0.446 nan 8.360 nan 0.000 0.456 281 H N 0.202 119.255 119.070 -0.028 0.000 2.519 281 H HA 0.275 4.833 4.556 0.003 0.000 0.289 281 H C -0.033 175.282 175.328 -0.022 0.000 1.040 281 H CA -0.046 55.987 56.048 -0.025 0.000 1.165 281 H CB 0.132 29.881 29.762 -0.022 0.000 1.462 281 H HN 0.013 nan 8.280 nan 0.000 0.555 282 N N -0.042 118.669 118.700 0.018 0.000 3.061 282 N HA 0.240 4.982 4.740 0.003 0.000 0.346 282 N C 0.524 176.020 175.510 -0.024 0.000 1.392 282 N CA -0.372 52.681 53.050 0.005 0.000 0.762 282 N CB 0.088 38.577 38.487 0.003 0.000 1.367 282 N HN 0.182 nan 8.380 nan 0.000 0.607 283 G N -0.372 108.415 108.800 -0.021 0.000 2.151 283 G HA2 0.337 4.299 3.960 0.003 0.000 0.269 283 G HA3 0.337 4.299 3.960 0.003 0.000 0.269 283 G C -0.454 174.414 174.900 -0.053 0.000 1.069 283 G CA 0.128 45.210 45.100 -0.030 0.000 1.080 283 G HN 0.539 nan 8.290 nan 0.000 0.405 284 A N 5.313 128.085 122.820 -0.080 0.000 2.444 284 A HA 0.678 5.000 4.320 0.003 0.000 0.332 284 A C -1.498 175.991 177.584 -0.157 0.000 1.430 284 A CA -1.169 50.795 52.037 -0.123 0.000 0.975 284 A CB 0.635 19.542 19.000 -0.156 0.000 1.147 284 A HN 0.603 nan 8.150 nan 0.000 0.524 285 P HA 0.361 nan 4.420 nan 0.000 0.279 285 P C 0.610 177.804 177.300 -0.176 0.000 1.282 285 P CA -0.387 62.653 63.100 -0.101 0.000 0.788 285 P CB 0.718 32.407 31.700 -0.017 0.000 1.139 286 H N -1.358 117.685 119.070 -0.044 0.000 2.379 286 H HA 0.047 4.605 4.556 0.003 0.000 0.308 286 H C 0.836 176.081 175.328 -0.139 0.000 1.047 286 H CA 1.170 57.150 56.048 -0.114 0.000 1.371 286 H CB 0.199 29.867 29.762 -0.157 0.000 1.449 286 H HN 0.407 nan 8.280 nan 0.000 0.564 287 H N -0.213 118.929 119.070 0.121 0.000 2.505 287 H HA 0.387 4.945 4.556 0.003 0.000 0.286 287 H C 0.694 176.045 175.328 0.038 0.000 1.072 287 H CA 0.289 56.378 56.048 0.068 0.000 1.141 287 H CB 0.580 30.376 29.762 0.056 0.000 1.550 287 H HN 0.265 nan 8.280 nan 0.000 0.547 288 A N 0.217 123.112 122.820 0.126 0.000 2.503 288 A HA 0.207 4.529 4.320 0.003 0.000 0.263 288 A C 1.739 179.347 177.584 0.039 0.000 1.258 288 A CA -0.211 51.867 52.037 0.069 0.000 0.936 288 A CB -0.216 18.810 19.000 0.044 0.000 1.070 288 A HN 0.236 nan 8.150 nan 0.000 0.522 289 I N -0.964 119.630 120.570 0.039 0.000 2.339 289 I HA -0.087 4.085 4.170 0.003 0.000 0.245 289 I C 1.962 178.103 176.117 0.039 0.000 1.096 289 I CA 1.090 62.399 61.300 0.015 0.000 1.408 289 I CB -0.523 37.472 38.000 -0.010 0.000 1.092 289 I HN 0.189 nan 8.210 nan 0.000 0.423 290 E N 1.622 121.867 120.200 0.074 0.000 2.204 290 E HA -0.169 4.183 4.350 0.003 0.000 0.194 290 E C 1.559 178.200 176.600 0.067 0.000 0.989 290 E CA 0.869 57.321 56.400 0.086 0.000 0.824 290 E CB -0.213 29.563 29.700 0.127 0.000 0.756 290 E HN 0.505 nan 8.360 nan 0.000 0.477 291 E N -0.220 120.014 120.200 0.057 0.000 2.533 291 E HA -0.026 4.325 4.350 0.003 0.000 0.201 291 E C 0.916 177.525 176.600 0.015 0.000 1.097 291 E CA 0.430 56.848 56.400 0.031 0.000 0.887 291 E CB 0.209 29.926 29.700 0.027 0.000 0.855 291 E HN 0.286 nan 8.360 nan 0.000 0.540 292 A N -0.153 122.681 122.820 0.023 0.000 2.591 292 A HA 0.096 4.418 4.320 0.003 0.000 0.204 292 A C 1.388 178.989 177.584 0.029 0.000 1.410 292 A CA -0.327 51.719 52.037 0.016 0.000 1.065 292 A CB 0.456 19.463 19.000 0.011 0.000 1.362 292 A HN 0.024 nan 8.150 nan 0.000 0.566 293 E N 0.842 121.067 120.200 0.042 0.000 2.299 293 E HA -0.070 4.282 4.350 0.003 0.000 0.193 293 E C 1.792 178.445 176.600 0.089 0.000 0.998 293 E CA 1.089 57.523 56.400 0.056 0.000 0.851 293 E CB 0.060 29.792 29.700 0.053 0.000 0.795 293 E HN 0.696 nan 8.360 nan 0.000 0.492 294 S N 0.147 115.900 115.700 0.087 0.000 2.527 294 S HA -0.006 4.466 4.470 0.003 0.000 0.222 294 S C 1.766 176.424 174.600 0.096 0.000 0.985 294 S CA 0.142 58.411 58.200 0.115 0.000 0.921 294 S CB 0.169 63.424 63.200 0.092 0.000 0.772 294 S HN 0.095 nan 8.310 nan 0.000 0.529 295 L N 0.244 121.482 121.223 0.026 0.000 2.357 295 L HA 0.457 4.799 4.340 0.003 0.000 0.211 295 L C 1.915 178.766 176.870 -0.031 0.000 1.075 295 L CA 0.551 55.348 54.840 -0.071 0.000 0.830 295 L CB -0.282 41.712 42.059 -0.107 0.000 0.996 295 L HN 0.350 nan 8.230 nan 0.000 0.467 296 L N -0.213 121.040 121.223 0.051 0.000 2.005 296 L HA -0.171 4.171 4.340 0.003 0.000 0.207 296 L C 2.498 179.439 176.870 0.118 0.000 1.072 296 L CA 2.208 57.104 54.840 0.093 0.000 0.744 296 L CB -0.852 41.247 42.059 0.066 0.000 0.895 296 L HN 0.476 nan 8.230 nan 0.000 0.433 297 Q N -0.315 119.559 119.800 0.124 0.000 2.096 297 Q HA -0.334 4.008 4.340 0.003 0.000 0.208 297 Q C 2.123 178.226 176.000 0.172 0.000 0.993 297 Q CA 2.723 58.623 55.803 0.163 0.000 0.862 297 Q CB -1.193 27.681 28.738 0.227 0.000 0.915 297 Q HN 0.568 nan 8.270 nan 0.000 0.416 298 F N 0.002 119.957 119.950 0.007 0.000 2.126 298 F HA -0.205 4.323 4.527 0.003 0.000 0.299 298 F C 1.864 177.673 175.800 0.013 0.000 1.096 298 F CA 2.278 60.256 58.000 -0.036 0.000 1.255 298 F CB -0.164 38.739 39.000 -0.161 0.000 0.997 298 F HN 0.321 nan 8.300 nan 0.000 0.479 299 H N -1.954 117.291 119.070 0.292 0.000 2.470 299 H HA -0.037 4.520 4.556 0.003 0.000 0.289 299 H C 2.100 177.489 175.328 0.102 0.000 1.033 299 H CA 0.961 57.132 56.048 0.205 0.000 1.331 299 H CB 0.119 29.985 29.762 0.172 0.000 1.414 299 H HN 0.133 nan 8.280 nan 0.000 0.545 300 V N 0.453 120.469 119.914 0.170 0.000 2.871 300 V HA -0.095 4.026 4.120 0.003 0.000 0.256 300 V C 2.366 178.521 176.094 0.102 0.000 1.082 300 V CA 1.241 63.597 62.300 0.093 0.000 1.105 300 V CB -0.308 31.539 31.823 0.040 0.000 0.713 300 V HN 0.493 nan 8.190 nan 0.000 0.473 301 A N -0.605 122.242 122.820 0.044 0.000 1.930 301 A HA -0.146 4.175 4.320 0.003 0.000 0.215 301 A C 2.405 179.934 177.584 -0.093 0.000 1.176 301 A CA 2.110 54.119 52.037 -0.047 0.000 0.632 301 A CB -0.510 18.412 19.000 -0.130 0.000 0.819 301 A HN 0.421 nan 8.150 nan 0.000 0.445 302 T N -2.326 112.170 114.554 -0.096 0.000 3.031 302 T HA -0.064 4.288 4.350 0.003 0.000 0.254 302 T C 1.629 176.384 174.700 0.092 0.000 1.060 302 T CA 1.063 63.123 62.100 -0.067 0.000 1.135 302 T CB -0.380 68.431 68.868 -0.095 0.000 0.896 302 T HN 0.555 nan 8.240 nan 0.000 0.472 303 Y N 0.433 120.752 120.300 0.032 0.000 2.556 303 Y HA 0.039 4.590 4.550 0.003 0.000 0.290 303 Y C 1.784 177.702 175.900 0.030 0.000 1.149 303 Y CA 1.235 59.360 58.100 0.043 0.000 1.329 303 Y CB -0.153 38.339 38.460 0.052 0.000 0.975 303 Y HN 0.232 nan 8.280 nan 0.000 0.561 304 M N -1.049 118.552 119.600 0.001 0.000 2.538 304 M HA 0.153 4.634 4.480 0.003 0.000 0.259 304 M C -0.798 175.501 176.300 -0.002 0.000 1.217 304 M CA 0.272 55.537 55.300 -0.059 0.000 1.131 304 M CB 0.872 33.495 32.600 0.037 0.000 1.382 304 M HN 0.069 nan 8.290 nan 0.000 0.520 305 D N 0.135 120.535 120.400 -0.001 0.000 2.803 305 D HA 0.256 4.898 4.640 0.003 0.000 0.218 305 D C -1.518 174.766 176.300 -0.028 0.000 1.245 305 D CA -0.352 53.650 54.000 0.003 0.000 0.821 305 D CB 1.045 41.868 40.800 0.038 0.000 1.626 305 D HN 0.391 nan 8.370 nan 0.000 0.487 306 N N 1.392 120.081 118.700 -0.018 0.000 2.528 306 N HA 0.109 4.851 4.740 0.003 0.000 0.266 306 N C -1.032 174.477 175.510 -0.001 0.000 1.528 306 N CA -0.319 52.721 53.050 -0.017 0.000 0.959 306 N CB 0.316 38.805 38.487 0.002 0.000 1.430 306 N HN 0.046 nan 8.380 nan 0.000 0.511 307 D N 1.147 121.544 120.400 -0.006 0.000 2.559 307 D HA 0.213 4.855 4.640 0.003 0.000 0.234 307 D C 0.357 176.655 176.300 -0.002 0.000 1.226 307 D CA -0.330 53.668 54.000 -0.003 0.000 0.830 307 D CB 0.430 41.223 40.800 -0.011 0.000 1.028 307 D HN 0.480 nan 8.370 nan 0.000 0.492 308 I N -1.539 119.028 120.570 -0.005 0.000 3.223 308 I HA 0.590 4.762 4.170 0.003 0.000 0.317 308 I C 0.686 176.807 176.117 0.006 0.000 1.050 308 I CA -1.461 59.836 61.300 -0.005 0.000 1.069 308 I CB 0.392 38.380 38.000 -0.020 0.000 1.406 308 I HN -0.203 nan 8.210 nan 0.000 0.596 309 A N 1.014 123.839 122.820 0.009 0.000 2.366 309 A HA 0.641 4.963 4.320 0.003 0.000 0.249 309 A C 0.960 178.566 177.584 0.036 0.000 1.084 309 A CA 0.454 52.503 52.037 0.020 0.000 0.794 309 A CB -0.838 18.172 19.000 0.017 0.000 1.034 309 A HN 1.899 nan 8.150 nan 0.000 0.491 310 G N -0.032 108.798 108.800 0.050 0.000 2.936 310 G HA2 -0.037 3.924 3.960 0.003 0.000 0.237 310 G HA3 -0.037 3.924 3.960 0.003 0.000 0.237 310 G C -0.249 174.705 174.900 0.091 0.000 1.403 310 G CA 0.342 45.490 45.100 0.080 0.000 1.011 310 G HN 1.199 nan 8.290 nan 0.000 0.568 311 Q N 0.502 120.385 119.800 0.139 0.000 2.352 311 Q HA 0.528 4.870 4.340 0.003 0.000 0.270 311 Q C -2.192 173.927 176.000 0.198 0.000 1.006 311 Q CA -1.146 54.746 55.803 0.148 0.000 0.880 311 Q CB 2.989 31.812 28.738 0.142 0.000 1.392 311 Q HN 0.435 nan 8.270 nan 0.000 0.401 312 P HA 0.108 nan 4.420 nan 0.000 0.251 312 P C -0.540 176.887 177.300 0.211 0.000 1.289 312 P CA 0.290 63.475 63.100 0.143 0.000 0.676 312 P CB 0.412 32.166 31.700 0.089 0.000 1.294 313 Q N -2.967 116.930 119.800 0.161 0.000 2.728 313 Q HA 0.700 5.042 4.340 0.003 0.000 0.378 313 Q C -0.999 175.070 176.000 0.116 0.000 0.670 313 Q CA -0.512 55.392 55.803 0.168 0.000 0.915 313 Q CB 1.019 29.881 28.738 0.208 0.000 1.128 313 Q HN 0.295 nan 8.270 nan 0.000 0.483 314 A N -0.682 122.205 122.820 0.113 0.000 4.258 314 A HA 0.513 4.834 4.320 0.003 0.000 0.158 314 A C -0.335 177.307 177.584 0.097 0.000 0.780 314 A CA -0.388 51.701 52.037 0.087 0.000 1.200 314 A CB -0.617 18.421 19.000 0.064 0.000 2.104 314 A HN 0.386 nan 8.150 nan 0.000 0.922 315 L N -0.325 120.941 121.223 0.073 0.000 1.876 315 L HA -0.024 4.317 4.340 0.003 0.000 0.242 315 L C 2.171 179.109 176.870 0.113 0.000 1.068 315 L CA 2.378 57.264 54.840 0.076 0.000 0.971 315 L CB -1.616 40.460 42.059 0.029 0.000 0.943 315 L HN 0.892 nan 8.230 nan 0.000 0.466 316 Q N -1.406 118.351 119.800 -0.071 0.000 2.356 316 Q HA 0.038 4.379 4.340 0.003 0.000 0.205 316 Q C 0.644 176.541 176.000 -0.172 0.000 0.901 316 Q CA 0.591 56.299 55.803 -0.159 0.000 0.938 316 Q CB 0.481 29.073 28.738 -0.245 0.000 1.081 316 Q HN 0.240 nan 8.270 nan 0.000 0.517 317 K N -0.425 119.894 120.400 -0.136 0.000 2.676 317 K HA 0.287 4.609 4.320 0.003 0.000 0.205 317 K C -0.481 176.288 176.600 0.283 0.000 1.084 317 K CA 0.214 56.558 56.287 0.094 0.000 1.057 317 K CB 1.273 33.838 32.500 0.109 0.000 0.791 317 K HN 0.203 nan 8.250 nan 0.000 0.484 318 S N -2.597 113.245 115.700 0.237 0.000 4.143 318 S HA 0.552 5.023 4.470 0.003 0.000 0.215 318 S C 1.029 175.693 174.600 0.107 0.000 1.163 318 S CA -0.033 58.267 58.200 0.167 0.000 1.458 318 S CB 0.920 64.220 63.200 0.166 0.000 1.636 318 S HN 0.121 nan 8.310 nan 0.000 0.716 319 G N 0.481 109.338 108.800 0.095 0.000 2.467 319 G HA2 0.624 4.586 3.960 0.003 0.000 0.178 319 G HA3 0.624 4.586 3.960 0.003 0.000 0.178 319 G C -0.781 174.158 174.900 0.066 0.000 1.461 319 G CA -0.303 44.837 45.100 0.066 0.000 0.675 319 G HN 0.584 nan 8.290 nan 0.000 0.659 320 R N -0.053 120.484 120.500 0.061 0.000 2.680 320 R HA 0.539 4.881 4.340 0.003 0.000 0.269 320 R C -2.043 174.288 176.300 0.051 0.000 1.026 320 R CA -0.925 55.209 56.100 0.057 0.000 0.889 320 R CB 1.808 32.134 30.300 0.043 0.000 1.241 320 R HN 0.304 nan 8.270 nan 0.000 0.463 321 P HA 0.362 nan 4.420 nan 0.000 0.189 321 P C -0.443 176.906 177.300 0.081 0.000 1.123 321 P CA 0.305 63.443 63.100 0.064 0.000 0.859 321 P CB 0.337 32.068 31.700 0.052 0.000 0.717 322 V N -2.093 117.864 119.914 0.071 0.000 3.087 322 V HA 0.544 4.666 4.120 0.003 0.000 0.311 322 V C 0.511 176.630 176.094 0.041 0.000 1.333 322 V CA -0.726 61.620 62.300 0.077 0.000 1.054 322 V CB 1.341 33.222 31.823 0.098 0.000 1.123 322 V HN 0.176 nan 8.190 nan 0.000 0.473 323 K N 0.395 120.813 120.400 0.030 0.000 2.572 323 K HA 0.392 4.713 4.320 0.003 0.000 0.234 323 K C 0.375 176.959 176.600 -0.028 0.000 1.374 323 K CA 1.033 57.316 56.287 -0.006 0.000 0.771 323 K CB -0.499 31.989 32.500 -0.019 0.000 1.738 323 K HN 1.922 nan 8.250 nan 0.000 0.388 324 S N 1.042 116.714 115.700 -0.046 0.000 2.969 324 S HA -0.098 4.374 4.470 0.003 0.000 0.856 324 S C 0.853 175.373 174.600 -0.133 0.000 0.942 324 S CA 0.315 58.458 58.200 -0.094 0.000 1.387 324 S CB -2.056 61.116 63.200 -0.047 0.000 0.992 324 S HN 0.384 nan 8.310 nan 0.000 0.268 325 I N 2.013 122.445 120.570 -0.229 0.000 2.462 325 I HA -0.298 3.874 4.170 0.003 0.000 0.259 325 I C 2.801 178.844 176.117 -0.123 0.000 1.156 325 I CA 2.020 63.206 61.300 -0.190 0.000 1.417 325 I CB -0.664 37.187 38.000 -0.248 0.000 1.088 325 I HN 0.764 nan 8.210 nan 0.000 0.442 326 R N 1.614 122.051 120.500 -0.104 0.000 2.070 326 R HA -0.161 4.181 4.340 0.003 0.000 0.233 326 R C 2.275 178.515 176.300 -0.100 0.000 1.137 326 R CA 1.880 57.919 56.100 -0.101 0.000 0.945 326 R CB -0.223 30.044 30.300 -0.057 0.000 0.845 326 R HN 0.367 nan 8.270 nan 0.000 0.430 327 A N 0.692 123.466 122.820 -0.077 0.000 2.167 327 A HA -0.017 4.304 4.320 0.003 0.000 0.214 327 A C 2.000 179.544 177.584 -0.067 0.000 1.151 327 A CA 0.440 52.437 52.037 -0.067 0.000 0.735 327 A CB -0.273 18.697 19.000 -0.050 0.000 0.802 327 A HN 0.307 nan 8.150 nan 0.000 0.467 328 R N -0.591 119.866 120.500 -0.072 0.000 2.115 328 R HA 0.027 4.369 4.340 0.003 0.000 0.230 328 R C 1.377 177.637 176.300 -0.066 0.000 1.111 328 R CA 1.220 57.281 56.100 -0.065 0.000 0.976 328 R CB -0.200 30.059 30.300 -0.068 0.000 0.870 328 R HN 0.532 nan 8.270 nan 0.000 0.445 329 L N -0.261 120.912 121.223 -0.083 0.000 2.470 329 L HA 0.138 4.479 4.340 0.003 0.000 0.219 329 L C 1.014 177.827 176.870 -0.095 0.000 1.071 329 L CA 0.012 54.799 54.840 -0.089 0.000 0.850 329 L CB -0.154 41.835 42.059 -0.116 0.000 1.040 329 L HN -0.018 nan 8.230 nan 0.000 0.475 330 K N 2.054 122.393 120.400 -0.101 0.000 2.489 330 K HA 0.078 4.400 4.320 0.003 0.000 0.278 330 K C 0.402 176.949 176.600 -0.089 0.000 1.000 330 K CA 0.158 56.383 56.287 -0.104 0.000 1.012 330 K CB 0.740 33.181 32.500 -0.098 0.000 0.903 330 K HN 0.118 nan 8.250 nan 0.000 0.485 331 G N 3.386 112.128 108.800 -0.097 0.000 2.227 331 G HA2 -0.152 3.810 3.960 0.003 0.000 0.250 331 G HA3 -0.152 3.810 3.960 0.003 0.000 0.250 331 G C -0.278 174.577 174.900 -0.076 0.000 0.910 331 G CA 0.293 45.337 45.100 -0.092 0.000 0.922 331 G HN 0.754 nan 8.290 nan 0.000 0.385 332 K N 1.385 121.749 120.400 -0.060 0.000 6.815 332 K HA -0.215 4.107 4.320 0.003 0.000 0.578 332 K C 1.046 177.621 176.600 -0.042 0.000 2.576 332 K CA 1.253 57.513 56.287 -0.046 0.000 2.027 332 K CB -0.610 31.860 32.500 -0.048 0.000 2.390 332 K HN 0.992 nan 8.250 nan 0.000 0.192 333 E N -2.349 117.832 120.200 -0.032 0.000 3.904 333 E HA -0.260 4.091 4.350 0.003 0.000 0.316 333 E C 0.604 177.185 176.600 -0.031 0.000 0.643 333 E CA 2.269 58.652 56.400 -0.029 0.000 1.129 333 E CB -1.412 28.270 29.700 -0.030 0.000 1.635 333 E HN 0.845 nan 8.360 nan 0.000 0.424 334 G N -0.395 108.383 108.800 -0.037 0.000 2.524 334 G HA2 0.485 4.447 3.960 0.003 0.000 0.310 334 G HA3 0.485 4.447 3.960 0.003 0.000 0.310 334 G C 0.326 175.203 174.900 -0.039 0.000 1.279 334 G CA 0.081 45.157 45.100 -0.040 0.000 0.974 334 G HN -0.002 nan 8.290 nan 0.000 0.484 335 R N 0.571 121.050 120.500 -0.034 0.000 3.204 335 R HA -0.346 3.996 4.340 0.003 0.000 0.666 335 R C 2.334 178.619 176.300 -0.025 0.000 0.262 335 R CA 2.255 58.338 56.100 -0.028 0.000 1.629 335 R CB -1.435 28.847 30.300 -0.031 0.000 0.664 335 R HN 0.567 nan 8.270 nan 0.000 0.551 336 I N -0.004 120.548 120.570 -0.029 0.000 2.195 336 I HA -0.376 3.796 4.170 0.003 0.000 0.232 336 I C 2.295 178.402 176.117 -0.017 0.000 0.986 336 I CA 2.334 63.621 61.300 -0.022 0.000 1.283 336 I CB -0.432 37.549 38.000 -0.032 0.000 0.990 336 I HN 0.335 nan 8.210 nan 0.000 0.390 337 R N 0.496 120.981 120.500 -0.025 0.000 2.325 337 R HA 0.069 4.411 4.340 0.003 0.000 0.214 337 R C 1.048 177.337 176.300 -0.017 0.000 0.961 337 R CA 0.840 56.929 56.100 -0.019 0.000 1.086 337 R CB -0.076 30.204 30.300 -0.032 0.000 1.037 337 R HN 0.643 nan 8.270 nan 0.000 0.493 338 G N -1.435 107.355 108.800 -0.017 0.000 3.193 338 G HA2 -0.013 3.948 3.960 0.003 0.000 0.183 338 G HA3 -0.013 3.948 3.960 0.003 0.000 0.183 338 G C 0.572 175.465 174.900 -0.011 0.000 1.254 338 G CA -0.253 44.838 45.100 -0.015 0.000 0.898 338 G HN 0.155 nan 8.290 nan 0.000 0.816 339 N N -0.178 118.515 118.700 -0.012 0.000 2.143 339 N HA 0.339 5.081 4.740 0.003 0.000 0.229 339 N C 0.881 176.388 175.510 -0.005 0.000 1.294 339 N CA 0.123 53.167 53.050 -0.009 0.000 0.883 339 N CB 1.418 39.898 38.487 -0.012 0.000 1.148 339 N HN 0.248 nan 8.380 nan 0.000 0.511 340 L N -0.724 120.497 121.223 -0.004 0.000 2.658 340 L HA 0.303 4.644 4.340 0.003 0.000 0.222 340 L C 1.666 178.536 176.870 0.000 0.000 1.033 340 L CA 0.129 54.968 54.840 -0.001 0.000 0.949 340 L CB 0.076 42.136 42.059 0.001 0.000 1.698 340 L HN -0.061 nan 8.230 nan 0.000 0.498 341 M N -0.185 119.415 119.600 0.000 0.000 2.492 341 M HA 0.234 4.716 4.480 0.003 0.000 0.262 341 M C 0.544 176.843 176.300 -0.002 0.000 1.090 341 M CA 0.706 56.007 55.300 0.002 0.000 1.110 341 M CB -0.299 32.306 32.600 0.008 0.000 1.407 341 M HN 0.254 nan 8.290 nan 0.000 0.470 342 G N 1.425 110.223 108.800 -0.002 0.000 2.562 342 G HA2 0.391 4.353 3.960 0.003 0.000 0.298 342 G HA3 0.391 4.353 3.960 0.003 0.000 0.298 342 G C -0.845 174.056 174.900 0.002 0.000 1.499 342 G CA -0.679 44.419 45.100 -0.003 0.000 1.036 342 G HN 0.156 nan 8.290 nan 0.000 0.543 343 K N 1.060 121.463 120.400 0.005 0.000 2.087 343 K HA 0.550 4.872 4.320 0.003 0.000 0.255 343 K C 0.342 176.956 176.600 0.022 0.000 0.988 343 K CA -0.835 55.459 56.287 0.010 0.000 0.915 343 K CB 1.985 34.492 32.500 0.012 0.000 1.043 343 K HN 0.361 nan 8.250 nan 0.000 0.457 344 R N 1.054 121.567 120.500 0.022 0.000 2.490 344 R HA 0.258 4.599 4.340 0.003 0.000 0.280 344 R C -0.731 175.594 176.300 0.041 0.000 1.077 344 R CA -0.409 55.710 56.100 0.032 0.000 1.065 344 R CB 0.613 30.923 30.300 0.017 0.000 1.003 344 R HN 0.548 nan 8.270 nan 0.000 0.470 345 V N -0.093 119.861 119.914 0.066 0.000 2.971 345 V HA 0.405 4.527 4.120 0.003 0.000 0.309 345 V C -0.624 175.514 176.094 0.073 0.000 1.130 345 V CA -1.308 61.042 62.300 0.084 0.000 0.964 345 V CB 1.948 33.853 31.823 0.136 0.000 1.029 345 V HN 0.661 nan 8.190 nan 0.000 0.427 346 D N 1.532 121.955 120.400 0.039 0.000 2.312 346 D HA 0.264 4.905 4.640 0.003 0.000 0.244 346 D C 0.453 176.783 176.300 0.050 0.000 1.328 346 D CA 0.331 54.268 54.000 -0.105 0.000 0.965 346 D CB -0.158 40.460 40.800 -0.304 0.000 1.140 346 D HN 0.749 nan 8.370 nan 0.000 0.523 347 F N -1.173 118.809 119.950 0.054 0.000 2.783 347 F HA -0.251 4.277 4.527 0.002 0.000 0.222 347 F C 0.836 176.671 175.800 0.058 0.000 1.028 347 F CA 0.351 58.389 58.000 0.064 0.000 0.862 347 F CB -1.795 37.253 39.000 0.081 0.000 0.744 347 F HN 0.152 nan 8.300 nan 0.000 0.850 348 S N -0.408 115.352 115.700 0.100 0.000 2.704 348 S HA 1.019 5.491 4.470 0.003 0.000 0.296 348 S C -0.405 174.196 174.600 0.003 0.000 1.138 348 S CA -0.162 58.026 58.200 -0.021 0.000 0.875 348 S CB 2.797 65.945 63.200 -0.086 0.000 1.151 348 S HN 1.479 nan 8.310 nan 0.000 0.500 349 A N 0.344 123.153 122.820 -0.019 0.000 2.515 349 A HA 0.880 5.201 4.320 0.003 0.000 0.292 349 A C -1.061 176.617 177.584 0.156 0.000 1.065 349 A CA -0.770 51.323 52.037 0.092 0.000 0.641 349 A CB 1.015 20.126 19.000 0.185 0.000 1.306 349 A HN 1.331 nan 8.150 nan 0.000 0.441 350 R N -0.208 120.429 120.500 0.228 0.000 2.664 350 R HA 0.694 5.036 4.340 0.003 0.000 0.260 350 R C -1.767 174.640 176.300 0.178 0.000 1.062 350 R CA 0.126 56.397 56.100 0.285 0.000 0.902 350 R CB 1.674 32.037 30.300 0.104 0.000 1.258 350 R HN 1.063 nan 8.270 nan 0.000 0.465 351 T N 1.211 115.901 114.554 0.227 0.000 2.733 351 T HA 0.229 4.581 4.350 0.003 0.000 0.312 351 T C -1.133 173.627 174.700 0.100 0.000 1.590 351 T CA -0.510 61.580 62.100 -0.016 0.000 1.005 351 T CB 1.467 70.076 68.868 -0.430 0.000 1.528 351 T HN 0.342 nan 8.240 nan 0.000 0.496 352 V N 2.557 122.487 119.914 0.027 0.000 2.901 352 V HA 0.239 4.361 4.120 0.003 0.000 0.307 352 V C 0.417 176.580 176.094 0.115 0.000 1.084 352 V CA 0.217 62.555 62.300 0.064 0.000 1.184 352 V CB -0.165 31.670 31.823 0.020 0.000 0.941 352 V HN 0.664 nan 8.190 nan 0.000 0.493 353 I N 1.806 122.477 120.570 0.169 0.000 2.530 353 I HA 0.865 5.036 4.170 0.003 0.000 0.297 353 I C -0.139 175.987 176.117 0.015 0.000 1.011 353 I CA -0.297 61.117 61.300 0.191 0.000 1.107 353 I CB 2.228 40.414 38.000 0.310 0.000 1.285 353 I HN 0.571 nan 8.210 nan 0.000 0.436 354 S N 2.802 118.333 115.700 -0.283 0.000 2.548 354 S HA 0.814 5.286 4.470 0.003 0.000 0.286 354 S C -0.046 173.941 174.600 -1.022 0.000 1.098 354 S CA -0.792 56.866 58.200 -0.903 0.000 0.930 354 S CB 1.524 64.432 63.200 -0.487 0.000 1.070 354 S HN 1.068 nan 8.310 nan 0.000 0.480 355 G N -0.061 107.750 108.800 -1.648 0.000 2.537 355 G HA2 0.522 4.484 3.960 0.003 0.000 0.273 355 G HA3 0.522 4.484 3.960 0.003 0.000 0.273 355 G C -1.159 173.600 174.900 -0.236 0.000 1.189 355 G CA -0.236 44.525 45.100 -0.565 0.000 0.881 355 G HN 0.670 nan 8.290 nan 0.000 0.535 356 D N 0.648 121.014 120.400 -0.057 0.000 2.337 356 D HA 0.251 4.892 4.640 0.003 0.000 0.238 356 D C -1.666 174.638 176.300 0.007 0.000 1.331 356 D CA -1.359 52.618 54.000 -0.039 0.000 0.967 356 D CB 1.923 42.699 40.800 -0.041 0.000 1.382 356 D HN 0.011 nan 8.370 nan 0.000 0.549 357 P HA -0.125 nan 4.420 nan 0.000 0.218 357 P C 0.233 177.542 177.300 0.016 0.000 1.147 357 P CA 1.036 64.139 63.100 0.006 0.000 0.827 357 P CB 0.326 32.013 31.700 -0.023 0.000 0.778 358 N N -0.618 118.104 118.700 0.036 0.000 2.458 358 N HA 0.211 4.952 4.740 0.003 0.000 0.274 358 N C -0.073 175.482 175.510 0.075 0.000 1.242 358 N CA -0.019 53.081 53.050 0.083 0.000 0.904 358 N CB 0.723 39.295 38.487 0.142 0.000 1.206 358 N HN 0.234 nan 8.380 nan 0.000 0.510 359 L N 0.414 121.672 121.223 0.058 0.000 2.342 359 L HA 0.342 4.684 4.340 0.003 0.000 0.271 359 L C 0.380 177.290 176.870 0.068 0.000 1.008 359 L CA -0.744 54.129 54.840 0.056 0.000 0.818 359 L CB 2.132 44.215 42.059 0.040 0.000 1.296 359 L HN -0.079 nan 8.230 nan 0.000 0.427 360 E N 1.537 121.776 120.200 0.066 0.000 2.373 360 E HA 0.015 4.367 4.350 0.003 0.000 0.263 360 E C 0.664 177.309 176.600 0.075 0.000 1.073 360 E CA -0.156 56.287 56.400 0.073 0.000 0.894 360 E CB 1.455 31.191 29.700 0.059 0.000 1.008 360 E HN 0.443 nan 8.360 nan 0.000 0.420 361 L N 2.557 123.832 121.223 0.086 0.000 2.079 361 L HA -0.212 4.129 4.340 0.003 0.000 0.210 361 L C 1.430 178.311 176.870 0.018 0.000 1.081 361 L CA 2.097 56.974 54.840 0.061 0.000 0.752 361 L CB -0.145 41.972 42.059 0.097 0.000 0.896 361 L HN 0.510 nan 8.230 nan 0.000 0.433 362 D N -1.491 118.901 120.400 -0.014 0.000 2.336 362 D HA -0.029 4.613 4.640 0.003 0.000 0.228 362 D C 0.272 176.546 176.300 -0.044 0.000 1.120 362 D CA -0.055 53.860 54.000 -0.141 0.000 0.839 362 D CB -0.165 40.557 40.800 -0.129 0.000 0.932 362 D HN 0.466 nan 8.370 nan 0.000 0.509 363 Q N -0.119 119.737 119.800 0.093 0.000 2.226 363 Q HA 0.501 4.842 4.340 0.003 0.000 0.256 363 Q C -1.151 174.959 176.000 0.182 0.000 0.962 363 Q CA -0.933 54.946 55.803 0.126 0.000 0.887 363 Q CB 3.152 31.925 28.738 0.058 0.000 1.282 363 Q HN 0.003 nan 8.270 nan 0.000 0.449 364 V N 1.471 121.374 119.914 -0.018 0.000 2.380 364 V HA 0.448 4.570 4.120 0.003 0.000 0.286 364 V C -0.263 175.714 176.094 -0.195 0.000 1.015 364 V CA -0.344 61.741 62.300 -0.357 0.000 0.834 364 V CB 1.194 32.546 31.823 -0.786 0.000 1.009 364 V HN 0.872 nan 8.190 nan 0.000 0.428 365 G N 6.117 114.850 108.800 -0.111 0.000 2.428 365 G HA2 0.345 4.306 3.960 0.003 0.000 0.290 365 G HA3 0.345 4.306 3.960 0.003 0.000 0.290 365 G C -0.290 174.667 174.900 0.095 0.000 0.996 365 G CA -0.000 45.096 45.100 -0.007 0.000 1.406 365 G HN 0.699 nan 8.290 nan 0.000 0.445 366 V N 6.818 126.780 119.914 0.079 0.000 2.318 366 V HA 0.226 4.347 4.120 0.003 0.000 0.271 366 V C -1.650 174.446 176.094 0.004 0.000 1.030 366 V CA -1.707 60.684 62.300 0.151 0.000 0.844 366 V CB 1.606 33.526 31.823 0.162 0.000 1.015 366 V HN 0.588 nan 8.190 nan 0.000 0.460 367 P HA 0.002 nan 4.420 nan 0.000 0.265 367 P C 0.656 177.900 177.300 -0.093 0.000 1.187 367 P CA 0.069 63.104 63.100 -0.108 0.000 0.766 367 P CB 1.039 32.637 31.700 -0.171 0.000 0.820 368 K N 2.398 122.729 120.400 -0.115 0.000 2.173 368 K HA -0.202 4.119 4.320 0.003 0.000 0.207 368 K C 2.058 178.647 176.600 -0.019 0.000 1.046 368 K CA 2.281 58.493 56.287 -0.125 0.000 0.929 368 K CB -0.287 32.123 32.500 -0.150 0.000 0.720 368 K HN 0.563 nan 8.250 nan 0.000 0.453 369 S N -0.109 115.573 115.700 -0.029 0.000 2.406 369 S HA -0.080 4.392 4.470 0.003 0.000 0.228 369 S C 1.922 176.543 174.600 0.035 0.000 1.020 369 S CA 0.887 59.090 58.200 0.004 0.000 0.965 369 S CB -0.340 62.842 63.200 -0.030 0.000 0.798 369 S HN 0.297 nan 8.310 nan 0.000 0.488 370 I N 2.318 122.894 120.570 0.010 0.000 2.233 370 I HA -0.012 4.160 4.170 0.003 0.000 0.243 370 I C 3.096 179.286 176.117 0.122 0.000 1.093 370 I CA 0.931 62.258 61.300 0.046 0.000 1.380 370 I CB -0.696 37.313 38.000 0.015 0.000 1.067 370 I HN 0.399 nan 8.210 nan 0.000 0.413 371 A N 0.725 123.628 122.820 0.139 0.000 1.986 371 A HA -0.249 4.073 4.320 0.003 0.000 0.220 371 A C 2.291 180.114 177.584 0.399 0.000 1.171 371 A CA 1.729 53.914 52.037 0.247 0.000 0.640 371 A CB -0.500 18.610 19.000 0.184 0.000 0.811 371 A HN 0.340 nan 8.150 nan 0.000 0.451 372 K N -1.306 119.315 120.400 0.367 0.000 2.296 372 K HA -0.034 4.287 4.320 0.003 0.000 0.200 372 K C 1.626 178.301 176.600 0.125 0.000 1.048 372 K CA 1.475 58.064 56.287 0.503 0.000 0.966 372 K CB -0.033 32.673 32.500 0.344 0.000 0.754 372 K HN 0.572 nan 8.250 nan 0.000 0.466 373 T N 0.951 115.561 114.554 0.094 0.000 3.004 373 T HA 0.133 4.485 4.350 0.003 0.000 0.243 373 T C 0.799 175.533 174.700 0.057 0.000 1.020 373 T CA 0.033 62.155 62.100 0.037 0.000 1.145 373 T CB 0.135 69.030 68.868 0.046 0.000 0.876 373 T HN -0.015 nan 8.240 nan 0.000 0.449 374 L N 2.196 123.491 121.223 0.120 0.000 2.410 374 L HA 0.302 4.644 4.340 0.003 0.000 0.273 374 L C 0.535 177.520 176.870 0.191 0.000 1.152 374 L CA -0.048 54.913 54.840 0.203 0.000 0.855 374 L CB 0.532 42.719 42.059 0.213 0.000 1.129 374 L HN 0.102 nan 8.230 nan 0.000 0.463 375 T N 1.801 116.524 114.554 0.283 0.000 2.952 375 T HA 0.437 4.788 4.350 0.003 0.000 0.286 375 T C -1.367 173.412 174.700 0.132 0.000 1.024 375 T CA -0.299 61.913 62.100 0.186 0.000 1.029 375 T CB 0.897 69.885 68.868 0.201 0.000 1.094 375 T HN 0.371 nan 8.240 nan 0.000 0.515 376 Y N 4.679 124.971 120.300 -0.014 0.000 2.326 376 Y HA 0.477 5.029 4.550 0.002 0.000 0.329 376 Y C -2.509 173.363 175.900 -0.046 0.000 0.973 376 Y CA -2.737 55.318 58.100 -0.075 0.000 1.162 376 Y CB 1.617 40.056 38.460 -0.034 0.000 1.147 376 Y HN 0.384 nan 8.280 nan 0.000 0.456 377 P HA 0.006 nan 4.420 nan 0.000 0.262 377 P C -0.921 175.913 177.300 -0.777 0.000 1.199 377 P CA 0.471 63.227 63.100 -0.573 0.000 0.763 377 P CB 0.838 32.249 31.700 -0.483 0.000 0.790 378 E N 2.644 122.683 120.200 -0.270 0.000 2.187 378 E HA 0.354 4.705 4.350 0.003 0.000 0.268 378 E C -1.061 175.544 176.600 0.008 0.000 0.896 378 E CA -0.997 55.374 56.400 -0.049 0.000 0.766 378 E CB 1.408 31.177 29.700 0.114 0.000 1.142 378 E HN 0.059 nan 8.360 nan 0.000 0.408 379 V N 4.731 124.674 119.914 0.048 0.000 2.461 379 V HA 0.085 4.207 4.120 0.003 0.000 0.275 379 V C 0.060 176.219 176.094 0.109 0.000 1.047 379 V CA -0.630 61.719 62.300 0.081 0.000 0.955 379 V CB 1.462 33.333 31.823 0.080 0.000 0.988 379 V HN 0.589 nan 8.190 nan 0.000 0.471 380 V N 5.420 125.406 119.914 0.119 0.000 2.506 380 V HA 0.042 4.164 4.120 0.003 0.000 0.296 380 V C 0.660 176.831 176.094 0.128 0.000 1.004 380 V CA 1.064 63.423 62.300 0.098 0.000 1.150 380 V CB 0.435 32.291 31.823 0.056 0.000 0.911 380 V HN 1.007 nan 8.190 nan 0.000 0.476 381 T N 7.925 122.547 114.554 0.114 0.000 2.916 381 T HA 0.413 4.765 4.350 0.003 0.000 0.298 381 T C -1.657 173.045 174.700 0.004 0.000 1.031 381 T CA -1.241 60.896 62.100 0.062 0.000 0.993 381 T CB 2.133 71.042 68.868 0.068 0.000 1.045 381 T HN 0.431 nan 8.240 nan 0.000 0.454 382 P HA -0.215 nan 4.420 nan 0.000 0.219 382 P C 0.811 178.047 177.300 -0.107 0.000 1.153 382 P CA 1.746 64.829 63.100 -0.029 0.000 0.865 382 P CB -0.062 31.359 31.700 -0.464 0.000 0.788 383 Y N 1.374 121.733 120.300 0.099 0.000 2.133 383 Y HA -0.196 4.355 4.550 0.003 0.000 0.287 383 Y C 2.633 178.569 175.900 0.060 0.000 1.134 383 Y CA 1.343 59.481 58.100 0.064 0.000 1.133 383 Y CB -1.716 36.772 38.460 0.047 0.000 0.987 383 Y HN 0.120 nan 8.280 nan 0.000 0.502 384 N N 0.696 119.517 118.700 0.201 0.000 2.207 384 N HA -0.138 4.603 4.740 0.003 0.000 0.182 384 N C 1.549 177.104 175.510 0.074 0.000 1.020 384 N CA 1.175 54.305 53.050 0.134 0.000 0.858 384 N CB -0.973 37.596 38.487 0.136 0.000 0.991 384 N HN 0.365 nan 8.380 nan 0.000 0.427 385 I N 1.656 122.252 120.570 0.044 0.000 2.972 385 I HA -0.486 3.686 4.170 0.003 0.000 0.209 385 I C 1.411 177.524 176.117 -0.006 0.000 0.859 385 I CA 2.470 63.763 61.300 -0.012 0.000 1.161 385 I CB -0.622 37.331 38.000 -0.079 0.000 0.895 385 I HN 0.318 nan 8.210 nan 0.000 0.355 386 D N -0.207 120.195 120.400 0.003 0.000 2.133 386 D HA -0.250 4.392 4.640 0.003 0.000 0.195 386 D C 2.142 178.449 176.300 0.012 0.000 0.997 386 D CA 1.487 55.489 54.000 0.003 0.000 0.840 386 D CB -0.496 40.311 40.800 0.012 0.000 0.947 386 D HN 0.485 nan 8.370 nan 0.000 0.452 387 R N 0.639 121.155 120.500 0.027 0.000 2.148 387 R HA -0.010 4.332 4.340 0.003 0.000 0.223 387 R C 2.430 178.748 176.300 0.029 0.000 1.088 387 R CA 0.225 56.342 56.100 0.029 0.000 0.985 387 R CB -0.094 30.230 30.300 0.040 0.000 0.880 387 R HN 0.204 nan 8.270 nan 0.000 0.451 388 L N -0.109 121.133 121.223 0.032 0.000 2.034 388 L HA -0.091 4.251 4.340 0.003 0.000 0.203 388 L C 2.218 179.102 176.870 0.022 0.000 1.074 388 L CA 1.631 56.493 54.840 0.035 0.000 0.748 388 L CB -0.392 41.695 42.059 0.046 0.000 0.905 388 L HN 0.211 nan 8.230 nan 0.000 0.439 389 T N -1.425 113.130 114.554 0.002 0.000 2.778 389 T HA -0.316 4.036 4.350 0.003 0.000 0.269 389 T C 1.626 176.327 174.700 0.002 0.000 1.050 389 T CA 1.570 63.667 62.100 -0.005 0.000 1.137 389 T CB -0.318 68.531 68.868 -0.031 0.000 0.860 389 T HN 0.213 nan 8.240 nan 0.000 0.468 390 Q N 0.850 120.651 119.800 0.001 0.000 2.096 390 Q HA -0.037 4.305 4.340 0.003 0.000 0.204 390 Q C 2.116 178.117 176.000 0.002 0.000 0.982 390 Q CA 1.347 57.150 55.803 0.000 0.000 0.850 390 Q CB -0.621 28.117 28.738 0.000 0.000 0.901 390 Q HN 0.443 nan 8.270 nan 0.000 0.422 391 L N -0.561 120.668 121.223 0.011 0.000 2.093 391 L HA -0.111 4.231 4.340 0.003 0.000 0.208 391 L C 2.266 179.154 176.870 0.030 0.000 1.085 391 L CA 0.892 55.742 54.840 0.017 0.000 0.755 391 L CB -0.673 41.407 42.059 0.035 0.000 0.904 391 L HN 0.211 nan 8.230 nan 0.000 0.435 392 V N -0.070 119.865 119.914 0.034 0.000 2.237 392 V HA -0.319 3.803 4.120 0.003 0.000 0.245 392 V C 2.683 178.787 176.094 0.017 0.000 1.046 392 V CA 1.900 64.220 62.300 0.033 0.000 1.007 392 V CB -0.604 31.245 31.823 0.042 0.000 0.638 392 V HN 0.438 nan 8.190 nan 0.000 0.445 393 R N 0.335 120.841 120.500 0.010 0.000 2.133 393 R HA -0.259 4.082 4.340 0.003 0.000 0.245 393 R C 2.214 178.512 176.300 -0.005 0.000 1.137 393 R CA 2.345 58.446 56.100 0.002 0.000 0.947 393 R CB -0.506 29.792 30.300 -0.002 0.000 0.865 393 R HN 0.556 nan 8.270 nan 0.000 0.437 394 N N 0.105 118.799 118.700 -0.010 0.000 2.334 394 N HA -0.104 4.637 4.740 0.003 0.000 0.187 394 N C 0.842 176.340 175.510 -0.020 0.000 1.016 394 N CA 1.290 54.326 53.050 -0.024 0.000 0.879 394 N CB -0.187 38.273 38.487 -0.046 0.000 0.965 394 N HN 0.492 nan 8.380 nan 0.000 0.438 395 G N 0.646 109.444 108.800 -0.003 0.000 2.877 395 G HA2 -0.205 3.756 3.960 0.003 0.000 0.279 395 G HA3 -0.205 3.756 3.960 0.003 0.000 0.279 395 G C -2.232 172.692 174.900 0.040 0.000 1.431 395 G CA -0.222 44.877 45.100 -0.001 0.000 0.883 395 G HN 0.135 nan 8.290 nan 0.000 0.547 396 P HA 0.188 nan 4.420 nan 0.000 0.253 396 P C 0.264 177.675 177.300 0.185 0.000 1.459 396 P CA 0.531 63.716 63.100 0.142 0.000 0.908 396 P CB -0.271 31.400 31.700 -0.049 0.000 1.470 397 N N -1.466 117.282 118.700 0.079 0.000 2.423 397 N HA 0.111 4.853 4.740 0.003 0.000 0.262 397 N C -0.596 174.901 175.510 -0.021 0.000 1.467 397 N CA -0.199 52.876 53.050 0.041 0.000 0.847 397 N CB -0.005 38.494 38.487 0.020 0.000 1.394 397 N HN 0.006 nan 8.380 nan 0.000 0.495 398 E N -0.097 120.051 120.200 -0.086 0.000 2.278 398 E HA 0.124 4.476 4.350 0.003 0.000 0.272 398 E C -0.137 176.342 176.600 -0.201 0.000 0.890 398 E CA -0.467 55.877 56.400 -0.093 0.000 0.770 398 E CB 1.794 31.456 29.700 -0.064 0.000 1.212 398 E HN 0.226 nan 8.360 nan 0.000 0.415 399 H N 4.919 123.852 119.070 -0.228 0.000 2.708 399 H HA -0.121 4.436 4.556 0.002 0.000 0.294 399 H C -1.581 173.492 175.328 -0.426 0.000 1.048 399 H CA 2.282 58.139 56.048 -0.319 0.000 1.090 399 H CB -0.911 28.759 29.762 -0.153 0.000 1.475 399 H HN 0.332 nan 8.280 nan 0.000 0.721 400 P HA 0.155 nan 4.420 nan 0.000 0.258 400 P C -0.513 176.593 177.300 -0.323 0.000 1.563 400 P CA 0.985 63.752 63.100 -0.554 0.000 1.241 400 P CB 0.195 31.766 31.700 -0.216 0.000 1.811 401 G N 0.948 109.525 108.800 -0.371 0.000 3.058 401 G HA2 0.853 4.815 3.960 0.003 0.000 0.282 401 G HA3 0.853 4.815 3.960 0.003 0.000 0.282 401 G C -1.648 173.566 174.900 0.524 0.000 1.248 401 G CA -0.513 44.579 45.100 -0.014 0.000 0.822 401 G HN 0.423 nan 8.290 nan 0.000 0.579 402 A N -0.736 122.325 122.820 0.402 0.000 2.597 402 A HA 0.727 5.048 4.320 0.003 0.000 0.292 402 A C -1.178 176.413 177.584 0.013 0.000 1.057 402 A CA -0.627 51.496 52.037 0.143 0.000 0.674 402 A CB 1.543 20.602 19.000 0.099 0.000 1.278 402 A HN 0.981 nan 8.150 nan 0.000 0.416 403 K N 0.559 120.922 120.400 -0.062 0.000 2.395 403 K HA 0.748 5.070 4.320 0.003 0.000 0.247 403 K C -1.300 175.278 176.600 -0.037 0.000 0.973 403 K CA -0.772 55.409 56.287 -0.176 0.000 0.828 403 K CB 1.388 33.696 32.500 -0.320 0.000 1.272 403 K HN 1.020 nan 8.250 nan 0.000 0.439 404 Y N -1.454 118.821 120.300 -0.042 0.000 2.569 404 Y HA -0.220 4.334 4.550 0.008 0.000 0.035 404 Y C -0.687 175.202 175.900 -0.018 0.000 1.759 404 Y CA -0.352 57.729 58.100 -0.031 0.000 1.373 404 Y CB -0.839 37.605 38.460 -0.026 0.000 2.021 404 Y HN 0.357 nan 8.280 nan 0.000 0.264 405 V N 5.813 125.802 119.914 0.126 0.000 2.540 405 V HA 0.593 4.715 4.120 0.003 0.000 0.302 405 V C 0.114 176.192 176.094 -0.027 0.000 1.035 405 V CA -0.946 61.401 62.300 0.077 0.000 0.873 405 V CB 1.935 33.824 31.823 0.110 0.000 0.992 405 V HN 0.506 nan 8.190 nan 0.000 0.428 406 I N 4.871 125.401 120.570 -0.066 0.000 2.412 406 I HA 0.603 4.774 4.170 0.003 0.000 0.296 406 I C 0.262 176.129 176.117 -0.416 0.000 0.987 406 I CA -0.544 60.646 61.300 -0.184 0.000 1.180 406 I CB 1.674 39.610 38.000 -0.107 0.000 1.340 406 I HN 0.526 nan 8.210 nan 0.000 0.455 407 R N 2.841 122.960 120.500 -0.637 0.000 2.944 407 R HA 0.330 4.672 4.340 0.003 0.000 0.233 407 R C 0.522 176.489 176.300 -0.555 0.000 1.346 407 R CA -0.778 54.600 56.100 -1.202 0.000 1.082 407 R CB 0.812 30.375 30.300 -1.228 0.000 1.434 407 R HN 0.541 nan 8.270 nan 0.000 0.510 408 D N 0.639 120.819 120.400 -0.367 0.000 2.156 408 D HA -0.232 4.410 4.640 0.003 0.000 0.190 408 D C 1.706 177.979 176.300 -0.046 0.000 0.998 408 D CA 2.530 56.521 54.000 -0.016 0.000 0.842 408 D CB -0.498 40.383 40.800 0.134 0.000 0.974 408 D HN 0.549 nan 8.370 nan 0.000 0.447 409 S N -0.094 115.566 115.700 -0.066 0.000 2.441 409 S HA -0.074 4.398 4.470 0.003 0.000 0.242 409 S C 1.814 176.378 174.600 -0.060 0.000 1.018 409 S CA 1.534 59.704 58.200 -0.050 0.000 0.988 409 S CB -0.507 62.658 63.200 -0.058 0.000 0.778 409 S HN 0.586 nan 8.310 nan 0.000 0.498 410 G N 1.120 109.854 108.800 -0.110 0.000 2.132 410 G HA2 -0.174 3.787 3.960 0.003 0.000 0.228 410 G HA3 -0.174 3.787 3.960 0.003 0.000 0.228 410 G C -0.379 174.460 174.900 -0.101 0.000 1.000 410 G CA 0.063 45.105 45.100 -0.098 0.000 0.693 410 G HN 0.556 nan 8.290 nan 0.000 0.515 411 D N -0.721 119.600 120.400 -0.131 0.000 2.414 411 D HA 0.508 5.150 4.640 0.003 0.000 0.251 411 D C 0.897 177.132 176.300 -0.108 0.000 1.252 411 D CA -0.160 53.777 54.000 -0.104 0.000 0.999 411 D CB 0.579 41.317 40.800 -0.103 0.000 1.093 411 D HN 0.251 nan 8.370 nan 0.000 0.515 412 R N 0.442 120.911 120.500 -0.051 0.000 2.639 412 R HA 0.217 4.559 4.340 0.003 0.000 0.273 412 R C -0.903 175.444 176.300 0.078 0.000 1.732 412 R CA -0.644 55.462 56.100 0.010 0.000 1.586 412 R CB -0.216 30.099 30.300 0.024 0.000 1.263 412 R HN 0.168 nan 8.270 nan 0.000 0.615 413 I N 2.325 122.909 120.570 0.022 0.000 2.792 413 I HA -0.091 4.081 4.170 0.003 0.000 0.284 413 I C 0.490 176.637 176.117 0.050 0.000 1.166 413 I CA 0.395 61.711 61.300 0.026 0.000 1.375 413 I CB -0.271 37.727 38.000 -0.004 0.000 1.421 413 I HN 0.322 nan 8.210 nan 0.000 0.544 414 D N 6.324 126.736 120.400 0.020 0.000 2.317 414 D HA 0.138 4.779 4.640 0.003 0.000 0.252 414 D C 0.805 176.986 176.300 -0.197 0.000 1.174 414 D CA -0.063 53.844 54.000 -0.156 0.000 0.866 414 D CB 0.902 41.635 40.800 -0.112 0.000 1.127 414 D HN 0.424 nan 8.370 nan 0.000 0.467 415 L N 3.769 124.823 121.223 -0.281 0.000 2.591 415 L HA 0.087 4.429 4.340 0.003 0.000 0.228 415 L C 1.999 178.729 176.870 -0.234 0.000 1.133 415 L CA 0.119 54.847 54.840 -0.187 0.000 0.880 415 L CB -0.023 41.959 42.059 -0.128 0.000 1.033 415 L HN 0.329 nan 8.230 nan 0.000 0.450 416 R N -1.428 118.817 120.500 -0.427 0.000 2.223 416 R HA 0.102 4.444 4.340 0.003 0.000 0.198 416 R C 0.329 176.327 176.300 -0.503 0.000 0.984 416 R CA 0.413 56.200 56.100 -0.522 0.000 1.018 416 R CB -0.192 29.669 30.300 -0.732 0.000 0.945 416 R HN 0.192 nan 8.270 nan 0.000 0.479 417 Y N 0.452 120.714 120.300 -0.063 0.000 3.258 417 Y HA 0.494 5.040 4.550 -0.006 0.000 0.311 417 Y C 0.091 175.972 175.900 -0.032 0.000 1.587 417 Y CA -1.640 56.437 58.100 -0.040 0.000 0.925 417 Y CB 0.653 39.092 38.460 -0.035 0.000 1.323 417 Y HN -0.145 nan 8.280 nan 0.000 0.719 418 S N 0.470 116.275 115.700 0.174 0.000 2.964 418 S HA -0.143 4.328 4.470 0.003 0.000 0.829 418 S C 0.528 175.162 174.600 0.056 0.000 0.843 418 S CA 0.032 58.281 58.200 0.083 0.000 1.458 418 S CB -0.577 62.653 63.200 0.050 0.000 1.044 418 S HN 0.800 nan 8.310 nan 0.000 0.490 419 K N 2.439 122.867 120.400 0.046 0.000 2.444 419 K HA -0.110 4.212 4.320 0.003 0.000 0.200 419 K C 1.041 177.659 176.600 0.029 0.000 1.045 419 K CA 1.505 57.812 56.287 0.033 0.000 0.934 419 K CB -0.080 32.436 32.500 0.026 0.000 0.756 419 K HN 0.554 nan 8.250 nan 0.000 0.477 420 R N -0.407 120.112 120.500 0.032 0.000 2.629 420 R HA 0.249 4.590 4.340 0.003 0.000 0.386 420 R C 0.958 177.277 176.300 0.031 0.000 1.071 420 R CA 0.241 56.360 56.100 0.033 0.000 1.104 420 R CB 0.993 31.317 30.300 0.040 0.000 1.370 420 R HN 0.249 nan 8.270 nan 0.000 0.574 421 A N 0.293 123.126 122.820 0.022 0.000 2.067 421 A HA 0.070 4.392 4.320 0.003 0.000 0.217 421 A C 1.632 179.222 177.584 0.011 0.000 1.156 421 A CA 1.063 53.107 52.037 0.012 0.000 0.683 421 A CB 0.077 19.072 19.000 -0.009 0.000 0.808 421 A HN 0.314 nan 8.150 nan 0.000 0.455 422 G N -0.726 108.081 108.800 0.011 0.000 3.591 422 G HA2 0.402 4.364 3.960 0.003 0.000 0.282 422 G HA3 0.402 4.364 3.960 0.003 0.000 0.282 422 G C -0.079 174.827 174.900 0.011 0.000 1.238 422 G CA 0.654 45.759 45.100 0.008 0.000 0.993 422 G HN 0.474 nan 8.290 nan 0.000 0.542 423 D N -0.553 119.858 120.400 0.018 0.000 4.389 423 D HA 0.392 5.034 4.640 0.003 0.000 0.260 423 D C -0.066 176.252 176.300 0.030 0.000 1.677 423 D CA -0.522 53.490 54.000 0.020 0.000 1.046 423 D CB 0.053 40.867 40.800 0.024 0.000 1.482 423 D HN 0.033 nan 8.370 nan 0.000 0.644 424 I N 0.658 121.256 120.570 0.047 0.000 8.263 424 I HA -0.179 3.993 4.170 0.003 0.000 0.126 424 I C -1.198 174.941 176.117 0.038 0.000 1.853 424 I CA 0.098 61.446 61.300 0.081 0.000 2.038 424 I CB -0.056 38.009 38.000 0.107 0.000 3.798 424 I HN 0.345 nan 8.210 nan 0.000 0.169 425 Q N 7.158 126.967 119.800 0.015 0.000 2.331 425 Q HA 0.479 4.820 4.340 0.003 0.000 0.257 425 Q C -0.386 175.473 176.000 -0.234 0.000 0.957 425 Q CA -0.569 55.177 55.803 -0.095 0.000 0.923 425 Q CB 1.775 30.445 28.738 -0.113 0.000 1.212 425 Q HN 0.480 nan 8.270 nan 0.000 0.443 426 L N 3.472 124.542 121.223 -0.256 0.000 2.454 426 L HA 0.065 4.406 4.340 0.003 0.000 0.284 426 L C 0.520 176.987 176.870 -0.671 0.000 1.139 426 L CA -0.173 54.439 54.840 -0.379 0.000 0.911 426 L CB 0.127 42.073 42.059 -0.187 0.000 1.262 426 L HN 0.388 nan 8.230 nan 0.000 0.453 427 Q N 2.151 121.239 119.800 -1.187 0.000 2.373 427 Q HA 0.154 4.495 4.340 0.003 0.000 0.255 427 Q C -0.866 174.662 176.000 -0.786 0.000 0.980 427 Q CA 0.117 55.262 55.803 -1.097 0.000 0.882 427 Q CB 0.551 28.464 28.738 -1.376 0.000 1.249 427 Q HN 0.246 nan 8.270 nan 0.000 0.438 428 Y N 1.030 121.109 120.300 -0.368 0.000 2.702 428 Y HA 0.165 4.717 4.550 0.004 0.000 0.336 428 Y C 1.693 177.528 175.900 -0.109 0.000 1.235 428 Y CA 1.377 59.359 58.100 -0.197 0.000 1.492 428 Y CB 0.503 38.876 38.460 -0.145 0.000 1.308 428 Y HN 0.878 nan 8.280 nan 0.000 0.589 429 G N 0.748 109.658 108.800 0.182 0.000 2.397 429 G HA2 -0.263 3.699 3.960 0.003 0.000 0.211 429 G HA3 -0.263 3.699 3.960 0.003 0.000 0.211 429 G C -0.177 174.901 174.900 0.297 0.000 1.077 429 G CA -0.394 44.832 45.100 0.211 0.000 0.649 429 G HN 0.535 nan 8.290 nan 0.000 0.511 430 W N 2.424 123.745 121.300 0.036 0.000 2.226 430 W HA 0.541 5.201 4.660 0.001 0.000 0.352 430 W C 0.979 177.503 176.519 0.009 0.000 1.277 430 W CA 0.058 57.413 57.345 0.016 0.000 1.305 430 W CB 0.218 29.681 29.460 0.005 0.000 1.193 430 W HN 0.229 nan 8.180 nan 0.000 0.596 431 K N 0.917 121.430 120.400 0.188 0.000 2.156 431 K HA 0.595 4.916 4.320 0.003 0.000 0.254 431 K C -1.020 175.630 176.600 0.084 0.000 0.950 431 K CA -0.967 55.370 56.287 0.083 0.000 0.849 431 K CB 1.984 34.483 32.500 -0.001 0.000 1.100 431 K HN 0.080 nan 8.250 nan 0.000 0.434 432 V N 3.079 123.028 119.914 0.058 0.000 2.467 432 V HA 0.046 4.167 4.120 0.003 0.000 0.260 432 V C -0.484 175.642 176.094 0.052 0.000 0.963 432 V CA -0.888 61.458 62.300 0.076 0.000 0.856 432 V CB 0.622 32.503 31.823 0.097 0.000 1.087 432 V HN 0.736 nan 8.190 nan 0.000 0.467 433 E N 4.174 124.403 120.200 0.050 0.000 2.905 433 E HA -0.049 4.303 4.350 0.003 0.000 0.240 433 E C 0.178 176.821 176.600 0.071 0.000 0.990 433 E CA 0.323 56.756 56.400 0.055 0.000 0.954 433 E CB 0.364 30.149 29.700 0.142 0.000 0.908 433 E HN 0.766 nan 8.360 nan 0.000 0.532 434 R N 2.252 122.796 120.500 0.073 0.000 2.832 434 R HA 0.436 4.778 4.340 0.003 0.000 0.271 434 R C 0.238 176.586 176.300 0.081 0.000 0.996 434 R CA -0.931 55.224 56.100 0.093 0.000 0.977 434 R CB 1.105 31.477 30.300 0.121 0.000 1.168 434 R HN 0.421 nan 8.270 nan 0.000 0.482 435 H N 0.504 119.592 119.070 0.030 0.000 2.929 435 H HA -0.000 4.556 4.556 0.001 0.000 0.358 435 H C 0.148 175.518 175.328 0.069 0.000 1.111 435 H CA 0.495 56.559 56.048 0.027 0.000 1.409 435 H CB 0.842 30.532 29.762 -0.121 0.000 1.373 435 H HN 0.376 nan 8.280 nan 0.000 0.610 436 I N 2.735 123.447 120.570 0.237 0.000 2.588 436 I HA -0.041 4.131 4.170 0.003 0.000 0.283 436 I C 0.335 176.598 176.117 0.243 0.000 1.119 436 I CA 0.523 61.949 61.300 0.210 0.000 1.419 436 I CB 0.167 38.282 38.000 0.191 0.000 1.394 436 I HN 0.335 nan 8.210 nan 0.000 0.562 437 M N 4.144 123.848 119.600 0.173 0.000 2.777 437 M HA 0.353 4.835 4.480 0.003 0.000 0.307 437 M C -0.493 175.893 176.300 0.143 0.000 1.228 437 M CA -1.042 54.370 55.300 0.188 0.000 0.871 437 M CB 1.142 33.807 32.600 0.109 0.000 1.721 437 M HN 0.368 nan 8.290 nan 0.000 0.487 438 D N 1.835 122.322 120.400 0.144 0.000 2.629 438 D HA -0.037 4.604 4.640 0.003 0.000 0.228 438 D C -0.205 176.125 176.300 0.051 0.000 1.127 438 D CA 1.508 55.557 54.000 0.080 0.000 0.855 438 D CB 0.078 40.920 40.800 0.070 0.000 1.180 438 D HN 0.503 nan 8.370 nan 0.000 0.484 439 N N 1.735 120.455 118.700 0.033 0.000 2.688 439 N HA -0.182 4.559 4.740 0.003 0.000 0.258 439 N C -1.196 174.315 175.510 0.003 0.000 1.016 439 N CA 0.755 53.815 53.050 0.016 0.000 0.747 439 N CB -0.590 37.905 38.487 0.014 0.000 0.895 439 N HN 0.393 nan 8.380 nan 0.000 0.543 440 D N -0.362 120.039 120.400 0.002 0.000 2.385 440 D HA 0.517 5.159 4.640 0.003 0.000 0.254 440 D C -2.253 174.029 176.300 -0.030 0.000 1.053 440 D CA -1.345 52.634 54.000 -0.035 0.000 0.992 440 D CB 1.096 41.879 40.800 -0.028 0.000 1.145 440 D HN 0.046 nan 8.370 nan 0.000 0.523 441 P HA 0.212 nan 4.420 nan 0.000 0.301 441 P C -0.838 176.465 177.300 0.006 0.000 1.385 441 P CA -0.585 62.502 63.100 -0.021 0.000 0.902 441 P CB 1.140 32.814 31.700 -0.043 0.000 0.965 442 V N 2.142 122.087 119.914 0.050 0.000 2.769 442 V HA 0.513 4.635 4.120 0.003 0.000 0.312 442 V C -0.076 176.104 176.094 0.142 0.000 1.058 442 V CA -1.320 61.028 62.300 0.080 0.000 0.952 442 V CB 2.202 34.057 31.823 0.054 0.000 1.019 442 V HN 0.344 nan 8.190 nan 0.000 0.445 443 L N 3.657 124.985 121.223 0.175 0.000 2.278 443 L HA 0.495 4.837 4.340 0.003 0.000 0.287 443 L C -0.921 176.129 176.870 0.299 0.000 1.072 443 L CA -0.237 54.742 54.840 0.232 0.000 0.819 443 L CB 0.718 42.898 42.059 0.202 0.000 1.176 443 L HN 0.759 nan 8.230 nan 0.000 0.435 444 F N 5.744 125.745 119.950 0.086 0.000 2.458 444 F HA 0.492 5.020 4.527 0.002 0.000 0.330 444 F C -0.127 175.716 175.800 0.072 0.000 1.082 444 F CA -0.930 57.011 58.000 -0.098 0.000 0.995 444 F CB 1.475 40.230 39.000 -0.408 0.000 1.170 444 F HN 0.511 nan 8.300 nan 0.000 0.478 445 N N 3.840 122.224 118.700 -0.526 0.000 2.367 445 N HA 0.311 5.052 4.740 0.003 0.000 0.278 445 N C -1.936 173.295 175.510 -0.465 0.000 1.117 445 N CA -0.672 52.249 53.050 -0.215 0.000 0.867 445 N CB 1.815 40.309 38.487 0.011 0.000 1.649 445 N HN 0.683 nan 8.380 nan 0.000 0.479 446 R N 2.365 122.771 120.500 -0.158 0.000 2.670 446 R HA 0.330 4.672 4.340 0.003 0.000 0.289 446 R C -1.095 175.187 176.300 -0.031 0.000 0.965 446 R CA -0.341 55.676 56.100 -0.139 0.000 0.899 446 R CB 1.636 31.891 30.300 -0.075 0.000 1.173 446 R HN 0.630 nan 8.270 nan 0.000 0.456 447 Q N 2.933 122.708 119.800 -0.042 0.000 2.214 447 Q HA 0.400 4.742 4.340 0.003 0.000 0.251 447 Q C -2.146 173.839 176.000 -0.026 0.000 0.936 447 Q CA -1.772 54.017 55.803 -0.022 0.000 0.894 447 Q CB 1.397 30.127 28.738 -0.015 0.000 1.252 447 Q HN 0.407 nan 8.270 nan 0.000 0.448 448 P HA 0.107 nan 4.420 nan 0.000 0.281 448 P C -1.078 176.197 177.300 -0.042 0.000 1.252 448 P CA -0.382 62.699 63.100 -0.032 0.000 0.778 448 P CB 1.072 32.749 31.700 -0.038 0.000 0.895 449 S N 3.120 118.801 115.700 -0.032 0.000 2.488 449 S HA 0.198 4.669 4.470 0.003 0.000 0.278 449 S C 0.666 175.219 174.600 -0.079 0.000 1.259 449 S CA -0.270 57.908 58.200 -0.036 0.000 1.061 449 S CB -0.300 62.892 63.200 -0.013 0.000 0.910 449 S HN 0.374 nan 8.310 nan 0.000 0.491 450 L N 1.587 122.721 121.223 -0.148 0.000 3.431 450 L HA 0.556 4.898 4.340 0.003 0.000 0.316 450 L C -0.168 176.522 176.870 -0.299 0.000 1.305 450 L CA -0.211 54.493 54.840 -0.226 0.000 0.995 450 L CB -0.670 41.225 42.059 -0.273 0.000 1.411 450 L HN 0.611 nan 8.230 nan 0.000 0.610 451 H N -1.186 117.837 119.070 -0.078 0.000 2.966 451 H HA 0.424 4.982 4.556 0.003 0.000 0.330 451 H C -0.016 175.257 175.328 -0.092 0.000 1.292 451 H CA -0.987 55.002 56.048 -0.099 0.000 1.127 451 H CB 1.953 31.645 29.762 -0.117 0.000 1.863 451 H HN -0.095 nan 8.280 nan 0.000 0.543 452 K N 0.415 120.842 120.400 0.045 0.000 2.007 452 K HA -0.052 4.270 4.320 0.003 0.000 0.206 452 K C 1.490 178.058 176.600 -0.053 0.000 1.047 452 K CA 1.550 57.818 56.287 -0.032 0.000 0.937 452 K CB -0.014 32.438 32.500 -0.081 0.000 0.718 452 K HN 0.353 nan 8.250 nan 0.000 0.438 453 M N 1.283 120.802 119.600 -0.135 0.000 2.435 453 M HA -0.088 4.394 4.480 0.003 0.000 0.262 453 M C 1.899 178.060 176.300 -0.231 0.000 1.065 453 M CA 1.130 56.283 55.300 -0.246 0.000 1.076 453 M CB -0.161 32.173 32.600 -0.443 0.000 1.403 453 M HN -0.028 nan 8.290 nan 0.000 0.454 454 S N -0.375 115.323 115.700 -0.004 0.000 2.561 454 S HA 0.206 4.678 4.470 0.003 0.000 0.225 454 S C 0.593 175.256 174.600 0.105 0.000 0.977 454 S CA 0.575 58.802 58.200 0.046 0.000 0.926 454 S CB -0.035 63.212 63.200 0.078 0.000 0.769 454 S HN 0.360 nan 8.310 nan 0.000 0.533 455 M N 1.881 121.512 119.600 0.052 0.000 2.067 455 M HA 0.398 4.879 4.480 0.003 0.000 0.286 455 M C -0.915 175.443 176.300 0.095 0.000 0.922 455 M CA -0.024 55.347 55.300 0.120 0.000 0.937 455 M CB 1.631 34.272 32.600 0.069 0.000 1.550 455 M HN 0.073 nan 8.290 nan 0.000 0.433 456 M N 1.491 121.226 119.600 0.225 0.000 2.792 456 M HA 0.805 5.287 4.480 0.003 0.000 0.294 456 M C -0.085 176.381 176.300 0.277 0.000 1.215 456 M CA -0.743 54.674 55.300 0.195 0.000 0.883 456 M CB 1.714 34.461 32.600 0.245 0.000 1.620 456 M HN 0.641 nan 8.290 nan 0.000 0.511 457 A N 0.030 122.954 122.820 0.174 0.000 2.325 457 A HA 0.736 5.057 4.320 0.003 0.000 0.333 457 A C -0.908 176.757 177.584 0.135 0.000 1.155 457 A CA -0.497 51.644 52.037 0.173 0.000 0.814 457 A CB 0.887 19.925 19.000 0.064 0.000 1.206 457 A HN 0.904 nan 8.150 nan 0.000 0.482 458 H N 0.239 119.333 119.070 0.040 0.000 2.907 458 H HA 0.438 4.995 4.556 0.003 0.000 0.361 458 H C -0.788 174.522 175.328 -0.031 0.000 1.194 458 H CA -0.784 55.259 56.048 -0.007 0.000 1.152 458 H CB 1.905 31.618 29.762 -0.082 0.000 1.867 458 H HN 0.675 nan 8.280 nan 0.000 0.561 459 R N 0.897 121.442 120.500 0.075 0.000 2.346 459 R HA 0.285 4.627 4.340 0.003 0.000 0.311 459 R C -0.680 175.637 176.300 0.028 0.000 0.983 459 R CA -0.720 55.400 56.100 0.033 0.000 0.880 459 R CB 1.469 31.778 30.300 0.015 0.000 1.100 459 R HN 0.214 nan 8.270 nan 0.000 0.453 460 V N 3.567 123.491 119.914 0.017 0.000 2.352 460 V HA 0.076 4.198 4.120 0.003 0.000 0.253 460 V C 0.343 176.449 176.094 0.019 0.000 1.083 460 V CA -0.438 61.867 62.300 0.009 0.000 0.993 460 V CB -0.138 31.704 31.823 0.033 0.000 1.111 460 V HN 0.552 nan 8.190 nan 0.000 0.490 461 K N 4.726 125.130 120.400 0.007 0.000 2.297 461 K HA 0.404 4.725 4.320 0.003 0.000 0.286 461 K C -0.633 175.962 176.600 -0.008 0.000 1.053 461 K CA -0.156 56.135 56.287 0.007 0.000 0.940 461 K CB 1.104 33.609 32.500 0.009 0.000 1.019 461 K HN 0.447 nan 8.250 nan 0.000 0.475 462 V N 6.456 126.352 119.914 -0.029 0.000 2.509 462 V HA 0.422 4.544 4.120 0.003 0.000 0.284 462 V C 0.006 176.042 176.094 -0.098 0.000 1.047 462 V CA -0.592 61.648 62.300 -0.099 0.000 0.952 462 V CB 0.560 32.223 31.823 -0.266 0.000 0.988 462 V HN 0.780 nan 8.190 nan 0.000 0.469 463 I N 3.412 123.931 120.570 -0.086 0.000 3.074 463 I HA 0.755 4.927 4.170 0.003 0.000 0.310 463 I C -2.675 173.405 176.117 -0.062 0.000 1.153 463 I CA -2.617 58.656 61.300 -0.045 0.000 0.993 463 I CB 1.592 39.599 38.000 0.011 0.000 1.237 463 I HN 0.347 nan 8.210 nan 0.000 0.443 464 P HA 0.164 nan 4.420 nan 0.000 0.275 464 P C -1.225 176.073 177.300 -0.003 0.000 1.270 464 P CA 0.163 63.183 63.100 -0.133 0.000 0.791 464 P CB 0.068 31.630 31.700 -0.231 0.000 1.089 465 Y N -3.111 117.146 120.300 -0.071 0.000 2.520 465 Y HA -0.206 4.347 4.550 0.005 0.000 0.024 465 Y C 1.637 177.475 175.900 -0.103 0.000 1.714 465 Y CA 0.617 58.671 58.100 -0.077 0.000 1.409 465 Y CB -2.288 36.130 38.460 -0.070 0.000 2.055 465 Y HN 0.239 nan 8.280 nan 0.000 0.256 466 S N -0.618 115.105 115.700 0.037 0.000 2.555 466 S HA -0.019 4.452 4.470 0.003 0.000 0.230 466 S C 0.745 175.256 174.600 -0.148 0.000 0.978 466 S CA 0.746 58.903 58.200 -0.072 0.000 0.934 466 S CB -0.414 62.750 63.200 -0.060 0.000 0.766 466 S HN 0.747 nan 8.310 nan 0.000 0.533 467 T N 0.093 114.585 114.554 -0.103 0.000 2.909 467 T HA 0.551 4.903 4.350 0.003 0.000 0.289 467 T C -0.083 174.527 174.700 -0.151 0.000 1.005 467 T CA -0.774 61.249 62.100 -0.129 0.000 1.084 467 T CB 0.256 69.083 68.868 -0.069 0.000 0.975 467 T HN 0.083 nan 8.240 nan 0.000 0.509 468 F N 1.961 121.911 119.950 0.001 0.000 2.529 468 F HA 0.330 4.859 4.527 0.004 0.000 0.365 468 F C 1.605 177.375 175.800 -0.050 0.000 1.102 468 F CA -0.646 57.347 58.000 -0.012 0.000 1.271 468 F CB 0.746 39.819 39.000 0.123 0.000 1.120 468 F HN 0.355 nan 8.300 nan 0.000 0.579 469 R N 4.145 124.719 120.500 0.123 0.000 2.778 469 R HA 0.862 5.204 4.340 0.003 0.000 0.277 469 R C -1.460 174.841 176.300 0.002 0.000 0.977 469 R CA -1.142 54.959 56.100 0.002 0.000 0.950 469 R CB 1.871 32.147 30.300 -0.040 0.000 1.165 469 R HN 0.539 nan 8.270 nan 0.000 0.474 470 L N -1.473 119.768 121.223 0.030 0.000 2.479 470 L HA 0.512 4.854 4.340 0.003 0.000 0.255 470 L C -0.552 176.392 176.870 0.123 0.000 1.026 470 L CA -1.225 53.670 54.840 0.091 0.000 0.842 470 L CB 1.040 43.201 42.059 0.171 0.000 1.444 470 L HN 0.383 nan 8.230 nan 0.000 0.409 471 N N 0.691 119.470 118.700 0.132 0.000 2.475 471 N HA 0.211 4.953 4.740 0.003 0.000 0.267 471 N C 0.960 176.544 175.510 0.123 0.000 1.169 471 N CA 0.136 53.248 53.050 0.103 0.000 0.947 471 N CB 1.045 39.574 38.487 0.070 0.000 1.061 471 N HN 0.830 nan 8.380 nan 0.000 0.466 472 L N 2.549 123.849 121.223 0.130 0.000 2.085 472 L HA -0.334 4.008 4.340 0.003 0.000 0.218 472 L C 2.240 179.133 176.870 0.038 0.000 1.080 472 L CA 1.470 56.389 54.840 0.132 0.000 0.776 472 L CB -0.419 41.700 42.059 0.099 0.000 0.891 472 L HN 0.535 nan 8.230 nan 0.000 0.437 473 S N -1.265 114.404 115.700 -0.052 0.000 2.402 473 S HA -0.126 4.345 4.470 0.003 0.000 0.229 473 S C 1.599 176.099 174.600 -0.167 0.000 1.021 473 S CA 1.053 59.130 58.200 -0.204 0.000 0.974 473 S CB -0.142 62.729 63.200 -0.547 0.000 0.800 473 S HN 0.307 nan 8.310 nan 0.000 0.484 474 V N 2.245 122.136 119.914 -0.038 0.000 3.611 474 V HA -0.020 4.102 4.120 0.003 0.000 0.281 474 V C 1.636 177.856 176.094 0.211 0.000 1.247 474 V CA 0.905 63.262 62.300 0.095 0.000 1.198 474 V CB -1.237 30.749 31.823 0.273 0.000 0.977 474 V HN 0.455 nan 8.190 nan 0.000 0.445 475 T N 0.418 115.024 114.554 0.088 0.000 2.614 475 T HA -0.158 4.193 4.350 0.003 0.000 0.263 475 T C 2.038 176.767 174.700 0.047 0.000 1.055 475 T CA 2.211 64.344 62.100 0.055 0.000 1.162 475 T CB -0.146 68.702 68.868 -0.033 0.000 0.863 475 T HN 0.701 nan 8.240 nan 0.000 0.414 476 S N 2.120 117.815 115.700 -0.009 0.000 2.343 476 S HA -0.068 4.403 4.470 0.003 0.000 0.219 476 S C -0.381 174.211 174.600 -0.012 0.000 1.033 476 S CA 1.308 59.497 58.200 -0.019 0.000 1.014 476 S CB -1.571 61.604 63.200 -0.042 0.000 0.915 476 S HN 0.516 nan 8.310 nan 0.000 0.435 477 P HA -0.097 nan 4.420 nan 0.000 0.223 477 P C 0.503 177.720 177.300 -0.138 0.000 1.144 477 P CA 1.287 64.279 63.100 -0.180 0.000 0.783 477 P CB -0.171 31.321 31.700 -0.348 0.000 0.771 478 Y N -1.548 118.769 120.300 0.029 0.000 2.507 478 Y HA 0.158 4.710 4.550 0.003 0.000 0.263 478 Y C 0.961 176.849 175.900 -0.020 0.000 1.093 478 Y CA -0.303 57.800 58.100 0.004 0.000 1.285 478 Y CB -0.013 38.437 38.460 -0.018 0.000 1.115 478 Y HN -0.106 nan 8.280 nan 0.000 0.533 479 N N 0.911 119.683 118.700 0.120 0.000 2.696 479 N HA -0.177 4.565 4.740 0.003 0.000 0.256 479 N C -0.866 174.644 175.510 0.000 0.000 1.031 479 N CA 0.607 53.678 53.050 0.035 0.000 0.730 479 N CB -0.960 37.532 38.487 0.009 0.000 0.894 479 N HN 0.375 nan 8.380 nan 0.000 0.544 480 A N 0.669 123.481 122.820 -0.015 0.000 2.294 480 A HA 0.723 5.044 4.320 0.003 0.000 0.330 480 A C 0.089 177.509 177.584 -0.274 0.000 1.133 480 A CA 0.083 52.057 52.037 -0.105 0.000 0.836 480 A CB 0.976 19.937 19.000 -0.064 0.000 1.190 480 A HN 0.576 nan 8.150 nan 0.000 0.492 481 D N -1.691 118.491 120.400 -0.362 0.000 2.744 481 D HA 0.517 5.159 4.640 0.003 0.000 0.304 481 D C -0.817 175.123 176.300 -0.600 0.000 1.179 481 D CA -0.452 53.194 54.000 -0.590 0.000 1.024 481 D CB 0.402 41.036 40.800 -0.276 0.000 1.453 481 D HN 0.268 nan 8.370 nan 0.000 0.529 482 F N -0.295 119.659 119.950 0.006 0.000 2.855 482 F HA 0.193 4.722 4.527 0.003 0.000 0.317 482 F C 0.883 176.682 175.800 -0.001 0.000 1.169 482 F CA -0.764 57.238 58.000 0.004 0.000 1.299 482 F CB 0.398 39.401 39.000 0.005 0.000 0.962 482 F HN 0.199 nan 8.300 nan 0.000 0.506 483 D N -0.049 120.403 120.400 0.087 0.000 2.378 483 D HA 0.034 4.676 4.640 0.003 0.000 0.222 483 D C 1.688 178.020 176.300 0.052 0.000 0.980 483 D CA 1.138 55.167 54.000 0.048 0.000 0.907 483 D CB 0.144 40.949 40.800 0.008 0.000 0.899 483 D HN 0.411 nan 8.370 nan 0.000 0.527 484 G N -0.255 108.591 108.800 0.077 0.000 3.290 484 G HA2 -0.136 3.826 3.960 0.003 0.000 0.220 484 G HA3 -0.136 3.826 3.960 0.003 0.000 0.220 484 G C -0.757 174.181 174.900 0.064 0.000 0.940 484 G CA -0.405 44.734 45.100 0.065 0.000 0.884 484 G HN 0.193 nan 8.290 nan 0.000 0.649 485 D N 1.291 121.737 120.400 0.076 0.000 2.472 485 D HA 0.373 5.014 4.640 0.003 0.000 0.237 485 D C 0.559 176.900 176.300 0.068 0.000 1.141 485 D CA 0.653 54.684 54.000 0.052 0.000 0.875 485 D CB 1.129 41.949 40.800 0.033 0.000 1.192 485 D HN 0.440 nan 8.370 nan 0.000 0.450 486 E N 0.551 120.774 120.200 0.038 0.000 2.222 486 E HA 0.549 4.901 4.350 0.003 0.000 0.272 486 E C -0.352 176.250 176.600 0.002 0.000 0.982 486 E CA -0.639 55.792 56.400 0.052 0.000 0.842 486 E CB 1.516 31.239 29.700 0.038 0.000 1.144 486 E HN 0.283 nan 8.360 nan 0.000 0.397 487 M N 1.837 121.450 119.600 0.021 0.000 2.446 487 M HA 0.353 4.835 4.480 0.003 0.000 0.294 487 M C -1.127 175.057 176.300 -0.195 0.000 1.158 487 M CA -0.962 54.201 55.300 -0.229 0.000 0.899 487 M CB 2.045 34.294 32.600 -0.586 0.000 1.687 487 M HN 0.421 nan 8.290 nan 0.000 0.455 488 N N 1.760 120.277 118.700 -0.305 0.000 2.434 488 N HA 0.777 5.519 4.740 0.003 0.000 0.266 488 N C -1.393 173.952 175.510 -0.274 0.000 1.223 488 N CA -0.396 52.534 53.050 -0.200 0.000 0.972 488 N CB 1.151 39.575 38.487 -0.106 0.000 1.207 488 N HN 0.600 nan 8.380 nan 0.000 0.525 489 L N 0.117 121.223 121.223 -0.195 0.000 2.526 489 L HA 0.398 4.739 4.340 0.003 0.000 0.263 489 L C -1.583 175.171 176.870 -0.193 0.000 0.943 489 L CA -0.563 54.246 54.840 -0.052 0.000 0.859 489 L CB 1.375 43.444 42.059 0.017 0.000 1.313 489 L HN 0.564 nan 8.230 nan 0.000 0.406 490 H N 3.576 122.714 119.070 0.115 0.000 2.622 490 H HA 0.637 5.195 4.556 0.003 0.000 0.363 490 H C -1.223 174.177 175.328 0.120 0.000 1.151 490 H CA -0.748 55.374 56.048 0.123 0.000 1.184 490 H CB 2.689 32.510 29.762 0.098 0.000 1.643 490 H HN 0.337 nan 8.280 nan 0.000 0.531 491 V N 4.415 124.474 119.914 0.241 0.000 2.487 491 V HA 0.208 4.330 4.120 0.003 0.000 0.298 491 V C -1.911 174.248 176.094 0.108 0.000 1.028 491 V CA -1.620 60.773 62.300 0.156 0.000 0.860 491 V CB 1.890 33.806 31.823 0.155 0.000 0.991 491 V HN 0.640 nan 8.190 nan 0.000 0.427 492 P HA 0.143 nan 4.420 nan 0.000 0.271 492 P C -0.476 176.882 177.300 0.096 0.000 1.238 492 P CA 0.067 63.207 63.100 0.067 0.000 0.794 492 P CB 0.961 32.684 31.700 0.038 0.000 0.959 493 Q N -1.633 118.220 119.800 0.088 0.000 2.101 493 Q HA 0.140 4.481 4.340 0.003 0.000 0.236 493 Q C 0.189 176.228 176.000 0.065 0.000 0.772 493 Q CA 0.283 56.094 55.803 0.013 0.000 0.944 493 Q CB 0.483 29.050 28.738 -0.285 0.000 1.171 493 Q HN 0.461 nan 8.270 nan 0.000 0.463 494 S N 0.751 116.533 115.700 0.137 0.000 2.690 494 S HA 0.318 4.789 4.470 0.003 0.000 0.291 494 S C 0.960 175.698 174.600 0.229 0.000 1.138 494 S CA -0.700 57.580 58.200 0.133 0.000 1.013 494 S CB 1.846 65.083 63.200 0.061 0.000 1.053 494 S HN -0.044 nan 8.310 nan 0.000 0.539 495 E N 1.507 121.824 120.200 0.195 0.000 2.153 495 E HA -0.173 4.179 4.350 0.003 0.000 0.194 495 E C 1.909 178.555 176.600 0.077 0.000 0.988 495 E CA 1.329 57.819 56.400 0.149 0.000 0.811 495 E CB -0.137 29.640 29.700 0.127 0.000 0.746 495 E HN 0.870 nan 8.360 nan 0.000 0.466 496 E N -0.200 120.042 120.200 0.070 0.000 2.112 496 E HA -0.067 4.284 4.350 0.003 0.000 0.190 496 E C 1.831 178.456 176.600 0.041 0.000 0.979 496 E CA 1.129 57.560 56.400 0.051 0.000 0.814 496 E CB -0.462 29.268 29.700 0.050 0.000 0.762 496 E HN -0.007 nan 8.360 nan 0.000 0.460 497 T N 1.395 115.978 114.554 0.048 0.000 2.833 497 T HA -0.095 4.256 4.350 0.003 0.000 0.269 497 T C 1.838 176.552 174.700 0.023 0.000 1.054 497 T CA 1.378 63.501 62.100 0.037 0.000 1.135 497 T CB -0.136 68.762 68.868 0.049 0.000 0.869 497 T HN 0.216 nan 8.240 nan 0.000 0.466 498 R N 1.238 121.745 120.500 0.011 0.000 2.062 498 R HA 0.149 4.490 4.340 0.003 0.000 0.229 498 R C 2.931 179.222 176.300 -0.016 0.000 1.128 498 R CA 1.067 57.147 56.100 -0.033 0.000 0.960 498 R CB -0.649 29.590 30.300 -0.101 0.000 0.855 498 R HN 0.350 nan 8.270 nan 0.000 0.432 499 A N 1.859 124.680 122.820 0.001 0.000 1.863 499 A HA -0.323 3.999 4.320 0.003 0.000 0.218 499 A C 2.035 179.624 177.584 0.008 0.000 1.233 499 A CA 2.036 54.078 52.037 0.008 0.000 0.655 499 A CB -0.892 18.122 19.000 0.023 0.000 0.839 499 A HN 0.414 nan 8.150 nan 0.000 0.454 500 E N -1.258 118.951 120.200 0.015 0.000 2.208 500 E HA -0.219 4.132 4.350 0.003 0.000 0.202 500 E C 1.857 178.460 176.600 0.004 0.000 1.014 500 E CA 1.134 57.542 56.400 0.012 0.000 0.819 500 E CB -0.108 29.599 29.700 0.013 0.000 0.735 500 E HN 0.420 nan 8.360 nan 0.000 0.469 501 L N -0.008 121.219 121.223 0.006 0.000 2.007 501 L HA -0.104 4.237 4.340 0.003 0.000 0.205 501 L C 2.421 179.292 176.870 0.001 0.000 1.073 501 L CA 2.175 57.021 54.840 0.010 0.000 0.744 501 L CB -1.232 40.837 42.059 0.016 0.000 0.898 501 L HN 0.181 nan 8.230 nan 0.000 0.435 502 S N -1.829 113.867 115.700 -0.007 0.000 2.562 502 S HA -0.026 4.445 4.470 0.003 0.000 0.221 502 S C 1.494 176.084 174.600 -0.017 0.000 0.975 502 S CA 0.089 58.280 58.200 -0.015 0.000 0.918 502 S CB 0.138 63.327 63.200 -0.020 0.000 0.772 502 S HN 0.389 nan 8.310 nan 0.000 0.531 503 Q N -0.038 119.755 119.800 -0.013 0.000 2.392 503 Q HA 0.401 4.742 4.340 0.003 0.000 0.219 503 Q C 1.124 177.110 176.000 -0.024 0.000 0.895 503 Q CA 0.419 56.214 55.803 -0.014 0.000 0.929 503 Q CB -0.051 28.686 28.738 -0.002 0.000 1.077 503 Q HN 0.442 nan 8.270 nan 0.000 0.532 504 L N -1.615 119.594 121.223 -0.024 0.000 2.586 504 L HA 0.105 4.446 4.340 0.003 0.000 0.204 504 L C 1.749 178.595 176.870 -0.040 0.000 1.053 504 L CA 0.826 55.644 54.840 -0.036 0.000 0.856 504 L CB -0.453 41.589 42.059 -0.030 0.000 1.192 504 L HN 0.037 nan 8.230 nan 0.000 0.484 505 C N 0.306 119.591 119.300 -0.025 0.000 2.673 505 C HA 0.543 5.005 4.460 0.003 0.000 0.264 505 C C 1.423 176.399 174.990 -0.023 0.000 1.304 505 C CA -0.904 58.103 59.018 -0.019 0.000 1.727 505 C CB -1.183 26.562 27.740 0.010 0.000 1.932 505 C HN 0.347 nan 8.230 nan 0.000 0.563 506 A N 1.163 123.964 122.820 -0.033 0.000 2.540 506 A HA 0.325 4.647 4.320 0.003 0.000 0.239 506 A C 1.429 178.961 177.584 -0.087 0.000 1.061 506 A CA 0.203 52.208 52.037 -0.054 0.000 0.758 506 A CB 0.303 19.274 19.000 -0.048 0.000 0.991 506 A HN 0.254 nan 8.150 nan 0.000 0.502 507 V N 3.741 123.567 119.914 -0.147 0.000 2.317 507 V HA -0.212 3.910 4.120 0.003 0.000 0.251 507 V C -0.411 175.620 176.094 -0.105 0.000 1.065 507 V CA 2.779 64.978 62.300 -0.169 0.000 1.049 507 V CB -1.498 30.139 31.823 -0.311 0.000 0.651 507 V HN 0.823 nan 8.190 nan 0.000 0.450 508 P HA -0.070 nan 4.420 nan 0.000 0.221 508 P C 1.714 178.989 177.300 -0.042 0.000 1.150 508 P CA 1.129 64.211 63.100 -0.029 0.000 0.800 508 P CB -0.064 31.627 31.700 -0.016 0.000 0.787 509 L N -0.938 120.250 121.223 -0.059 0.000 2.465 509 L HA -0.055 4.287 4.340 0.003 0.000 0.224 509 L C 1.755 178.571 176.870 -0.090 0.000 1.145 509 L CA 0.990 55.790 54.840 -0.067 0.000 0.834 509 L CB -0.621 41.400 42.059 -0.063 0.000 0.944 509 L HN 0.049 nan 8.230 nan 0.000 0.451 510 Q N -0.387 119.354 119.800 -0.098 0.000 2.282 510 Q HA 0.181 4.523 4.340 0.003 0.000 0.206 510 Q C 2.084 178.005 176.000 -0.130 0.000 0.878 510 Q CA 0.263 55.989 55.803 -0.128 0.000 0.944 510 Q CB 0.761 29.409 28.738 -0.150 0.000 1.100 510 Q HN 0.573 nan 8.270 nan 0.000 0.509 511 I N -0.201 120.317 120.570 -0.088 0.000 2.315 511 I HA -0.105 4.067 4.170 0.003 0.000 0.248 511 I C 1.104 177.165 176.117 -0.093 0.000 1.117 511 I CA 0.760 62.031 61.300 -0.048 0.000 1.404 511 I CB 0.164 38.198 38.000 0.056 0.000 1.071 511 I HN -0.117 nan 8.210 nan 0.000 0.419 512 V N 1.282 121.117 119.914 -0.131 0.000 2.311 512 V HA 0.325 4.447 4.120 0.003 0.000 0.275 512 V C -0.245 175.732 176.094 -0.195 0.000 1.022 512 V CA -0.168 62.013 62.300 -0.199 0.000 0.830 512 V CB 1.256 32.954 31.823 -0.209 0.000 1.012 512 V HN 0.198 nan 8.190 nan 0.000 0.452 513 S N 8.147 123.732 115.700 -0.192 0.000 2.472 513 S HA 0.634 5.106 4.470 0.003 0.000 0.303 513 S C -1.492 173.035 174.600 -0.121 0.000 1.099 513 S CA -1.507 56.592 58.200 -0.168 0.000 1.077 513 S CB 2.051 65.129 63.200 -0.204 0.000 1.031 513 S HN 0.704 nan 8.310 nan 0.000 0.487 514 P HA -0.136 nan 4.420 nan 0.000 0.228 514 P C 1.150 178.515 177.300 0.108 0.000 1.151 514 P CA 0.732 63.852 63.100 0.033 0.000 0.770 514 P CB 0.207 31.956 31.700 0.082 0.000 0.786 515 Q N 1.036 120.825 119.800 -0.018 0.000 1.927 515 Q HA -0.109 4.233 4.340 0.003 0.000 0.210 515 Q C 1.063 177.038 176.000 -0.041 0.000 1.001 515 Q CA 2.232 58.005 55.803 -0.051 0.000 0.862 515 Q CB -0.316 28.337 28.738 -0.142 0.000 0.934 515 Q HN 0.107 nan 8.270 nan 0.000 0.420 516 S N 1.190 116.796 115.700 -0.156 0.000 2.537 516 S HA 0.091 4.563 4.470 0.003 0.000 0.246 516 S C -0.490 173.980 174.600 -0.217 0.000 1.036 516 S CA 0.247 58.238 58.200 -0.348 0.000 1.041 516 S CB -0.356 62.681 63.200 -0.272 0.000 0.799 516 S HN 0.673 nan 8.310 nan 0.000 0.456 517 N N 1.807 120.456 118.700 -0.085 0.000 2.666 517 N HA -0.312 4.429 4.740 0.003 0.000 0.249 517 N C -0.275 175.264 175.510 0.047 0.000 1.063 517 N CA 1.588 54.650 53.050 0.019 0.000 0.750 517 N CB -1.641 36.909 38.487 0.105 0.000 0.992 517 N HN 0.768 nan 8.380 nan 0.000 0.542 518 K N -2.425 117.936 120.400 -0.064 0.000 2.349 518 K HA 0.716 5.038 4.320 0.003 0.000 0.243 518 K C -3.187 173.237 176.600 -0.293 0.000 1.058 518 K CA -2.177 54.015 56.287 -0.159 0.000 0.871 518 K CB 2.421 34.926 32.500 0.008 0.000 1.337 518 K HN -0.079 nan 8.250 nan 0.000 0.469 519 P HA 0.183 nan 4.420 nan 0.000 0.285 519 P C 0.306 177.533 177.300 -0.122 0.000 1.269 519 P CA -0.705 62.260 63.100 -0.225 0.000 0.844 519 P CB 1.268 32.855 31.700 -0.188 0.000 1.094 520 C N -0.713 118.518 119.300 -0.115 0.000 3.228 520 C HA 0.469 4.930 4.460 0.003 0.000 0.290 520 C C 0.751 175.683 174.990 -0.096 0.000 1.301 520 C CA -0.400 58.548 59.018 -0.116 0.000 1.703 520 C CB -1.040 26.590 27.740 -0.182 0.000 2.141 520 C HN 0.348 nan 8.230 nan 0.000 0.656 521 M N 1.462 121.018 119.600 -0.073 0.000 2.528 521 M HA 0.654 5.136 4.480 0.003 0.000 0.321 521 M C 0.326 176.606 176.300 -0.033 0.000 1.153 521 M CA 0.291 55.507 55.300 -0.140 0.000 0.951 521 M CB 1.917 34.334 32.600 -0.306 0.000 1.705 521 M HN 0.378 nan 8.290 nan 0.000 0.451 522 G N 1.722 110.475 108.800 -0.079 0.000 3.187 522 G HA2 0.814 4.776 3.960 0.003 0.000 0.175 522 G HA3 0.814 4.776 3.960 0.003 0.000 0.175 522 G C -1.509 173.466 174.900 0.125 0.000 1.112 522 G CA -0.517 44.649 45.100 0.111 0.000 0.821 522 G HN 0.587 nan 8.290 nan 0.000 0.636 523 I N 0.873 121.512 120.570 0.114 0.000 2.512 523 I HA 0.462 4.633 4.170 0.003 0.000 0.287 523 I C -0.656 175.491 176.117 0.050 0.000 1.069 523 I CA -0.835 60.527 61.300 0.103 0.000 1.056 523 I CB 2.240 40.322 38.000 0.136 0.000 1.229 523 I HN 0.395 nan 8.210 nan 0.000 0.429 524 V N 3.614 123.550 119.914 0.036 0.000 2.914 524 V HA 0.643 4.765 4.120 0.003 0.000 0.314 524 V C 0.115 176.229 176.094 0.034 0.000 1.084 524 V CA -0.527 61.788 62.300 0.025 0.000 0.963 524 V CB 1.489 33.317 31.823 0.008 0.000 1.025 524 V HN 0.914 nan 8.190 nan 0.000 0.432 525 Q N 0.193 120.014 119.800 0.035 0.000 1.932 525 Q HA -0.347 3.994 4.340 0.003 0.000 0.407 525 Q C 1.039 177.072 176.000 0.055 0.000 0.787 525 Q CA 2.129 57.963 55.803 0.052 0.000 0.852 525 Q CB -1.555 27.218 28.738 0.057 0.000 3.472 525 Q HN 0.958 nan 8.270 nan 0.000 0.793 526 D N 0.655 121.095 120.400 0.067 0.000 2.269 526 D HA -0.173 4.468 4.640 0.003 0.000 0.191 526 D C 1.984 178.303 176.300 0.031 0.000 1.007 526 D CA 2.683 56.719 54.000 0.061 0.000 0.855 526 D CB -0.891 39.943 40.800 0.057 0.000 0.979 526 D HN 0.607 nan 8.370 nan 0.000 0.452 527 T N 0.901 115.472 114.554 0.030 0.000 2.594 527 T HA -0.253 4.099 4.350 0.003 0.000 0.266 527 T C 1.904 176.605 174.700 0.002 0.000 1.070 527 T CA 1.736 63.849 62.100 0.021 0.000 1.166 527 T CB -0.665 68.225 68.868 0.036 0.000 0.862 527 T HN 0.095 nan 8.240 nan 0.000 0.436 528 L N 0.454 121.681 121.223 0.007 0.000 2.141 528 L HA 0.097 4.439 4.340 0.003 0.000 0.209 528 L C 2.544 179.389 176.870 -0.041 0.000 1.094 528 L CA 1.322 56.156 54.840 -0.010 0.000 0.763 528 L CB -0.880 41.184 42.059 0.009 0.000 0.908 528 L HN 0.507 nan 8.230 nan 0.000 0.437 529 C N -0.576 118.696 119.300 -0.047 0.000 2.495 529 C HA 0.233 4.695 4.460 0.003 0.000 0.275 529 C C 2.591 177.469 174.990 -0.185 0.000 1.392 529 C CA 0.415 59.357 59.018 -0.127 0.000 1.766 529 C CB -1.519 26.151 27.740 -0.116 0.000 1.933 529 C HN 0.671 nan 8.230 nan 0.000 0.519 530 G N -0.027 108.719 108.800 -0.090 0.000 2.459 530 G HA2 -0.004 3.957 3.960 0.003 0.000 0.213 530 G HA3 -0.004 3.957 3.960 0.003 0.000 0.213 530 G C 1.535 176.346 174.900 -0.148 0.000 1.155 530 G CA 0.683 45.764 45.100 -0.033 0.000 0.811 530 G HN 0.553 nan 8.290 nan 0.000 0.534 531 I N 0.405 120.898 120.570 -0.128 0.000 2.315 531 I HA -0.076 4.095 4.170 0.003 0.000 0.248 531 I C 2.779 178.779 176.117 -0.195 0.000 1.117 531 I CA 1.215 62.416 61.300 -0.165 0.000 1.404 531 I CB -0.036 37.907 38.000 -0.097 0.000 1.071 531 I HN 0.178 nan 8.210 nan 0.000 0.419 532 R N 0.830 121.234 120.500 -0.160 0.000 2.070 532 R HA -0.209 4.133 4.340 0.003 0.000 0.233 532 R C 2.315 178.486 176.300 -0.215 0.000 1.137 532 R CA 1.334 57.340 56.100 -0.156 0.000 0.945 532 R CB -0.203 30.025 30.300 -0.120 0.000 0.845 532 R HN 0.124 nan 8.270 nan 0.000 0.430 533 K N 0.960 121.214 120.400 -0.244 0.000 2.000 533 K HA -0.209 4.112 4.320 0.003 0.000 0.218 533 K C 2.134 178.416 176.600 -0.530 0.000 1.053 533 K CA 1.582 57.705 56.287 -0.273 0.000 0.946 533 K CB -0.886 31.545 32.500 -0.115 0.000 0.723 533 K HN 0.246 nan 8.250 nan 0.000 0.446 534 L N 1.202 121.883 121.223 -0.904 0.000 2.081 534 L HA -0.189 4.153 4.340 0.003 0.000 0.212 534 L C 2.020 178.518 176.870 -0.620 0.000 1.080 534 L CA 2.038 56.154 54.840 -1.208 0.000 0.754 534 L CB -0.793 40.632 42.059 -1.057 0.000 0.893 534 L HN 0.172 nan 8.230 nan 0.000 0.433 535 T N 0.256 114.565 114.554 -0.408 0.000 3.009 535 T HA 0.144 4.496 4.350 0.003 0.000 0.258 535 T C 0.764 175.332 174.700 -0.220 0.000 1.063 535 T CA 0.294 62.231 62.100 -0.272 0.000 1.139 535 T CB -0.446 68.302 68.868 -0.200 0.000 0.890 535 T HN 0.418 nan 8.240 nan 0.000 0.471 536 L N 0.740 121.842 121.223 -0.202 0.000 2.573 536 L HA 0.173 4.515 4.340 0.003 0.000 0.290 536 L C 1.541 178.293 176.870 -0.195 0.000 1.247 536 L CA -0.273 54.474 54.840 -0.155 0.000 0.876 536 L CB 0.407 42.396 42.059 -0.117 0.000 1.123 536 L HN -0.087 nan 8.230 nan 0.000 0.505 537 R N 0.920 121.322 120.500 -0.163 0.000 2.174 537 R HA -0.211 4.131 4.340 0.003 0.000 0.253 537 R C 1.133 177.214 176.300 -0.365 0.000 1.165 537 R CA 2.177 58.147 56.100 -0.216 0.000 0.984 537 R CB -0.232 30.005 30.300 -0.105 0.000 0.873 537 R HN 0.871 nan 8.270 nan 0.000 0.456 538 D N -0.516 119.743 120.400 -0.234 0.000 2.347 538 D HA -0.028 4.613 4.640 0.003 0.000 0.215 538 D C -0.239 175.937 176.300 -0.207 0.000 0.976 538 D CA 0.662 54.560 54.000 -0.169 0.000 0.884 538 D CB 0.213 40.987 40.800 -0.043 0.000 0.915 538 D HN 0.032 nan 8.370 nan 0.000 0.526 539 T N 0.843 115.228 114.554 -0.282 0.000 2.738 539 T HA 0.228 4.580 4.350 0.003 0.000 0.294 539 T C -0.127 174.386 174.700 -0.312 0.000 0.914 539 T CA -0.062 61.933 62.100 -0.175 0.000 1.052 539 T CB -0.159 68.590 68.868 -0.197 0.000 0.897 539 T HN -0.100 nan 8.240 nan 0.000 0.522 540 F N 2.739 122.761 119.950 0.120 0.000 2.480 540 F HA 0.622 5.151 4.527 0.003 0.000 0.329 540 F C -0.023 175.893 175.800 0.194 0.000 1.091 540 F CA -1.340 56.743 58.000 0.138 0.000 0.972 540 F CB 1.401 40.467 39.000 0.110 0.000 1.150 540 F HN 0.299 nan 8.300 nan 0.000 0.467 541 I N 2.036 122.885 120.570 0.465 0.000 2.418 541 I HA 0.250 4.421 4.170 0.003 0.000 0.287 541 I C -0.407 175.943 176.117 0.389 0.000 1.008 541 I CA -0.692 60.831 61.300 0.370 0.000 1.104 541 I CB 1.695 39.888 38.000 0.322 0.000 1.264 541 I HN 0.561 nan 8.210 nan 0.000 0.438 542 E N 5.163 125.535 120.200 0.286 0.000 2.280 542 E HA 0.394 4.745 4.350 0.003 0.000 0.261 542 E C 0.910 177.614 176.600 0.174 0.000 1.088 542 E CA -0.782 55.797 56.400 0.298 0.000 0.915 542 E CB 1.128 30.949 29.700 0.202 0.000 1.141 542 E HN 0.424 nan 8.360 nan 0.000 0.433 543 L N 1.587 122.937 121.223 0.211 0.000 1.957 543 L HA -0.347 3.995 4.340 0.003 0.000 0.228 543 L C 1.841 178.649 176.870 -0.104 0.000 1.086 543 L CA 3.069 57.900 54.840 -0.016 0.000 0.796 543 L CB -0.949 41.191 42.059 0.135 0.000 0.900 543 L HN 0.927 nan 8.230 nan 0.000 0.439 544 D N -1.354 119.038 120.400 -0.014 0.000 2.200 544 D HA -0.325 4.317 4.640 0.003 0.000 0.192 544 D C 1.892 178.180 176.300 -0.021 0.000 1.008 544 D CA 2.231 56.222 54.000 -0.016 0.000 0.872 544 D CB -0.796 40.008 40.800 0.007 0.000 0.923 544 D HN 0.675 nan 8.370 nan 0.000 0.447 545 Q N -0.168 119.632 119.800 0.000 0.000 2.020 545 Q HA -0.041 4.301 4.340 0.003 0.000 0.198 545 Q C 2.563 178.555 176.000 -0.013 0.000 0.974 545 Q CA 1.316 57.158 55.803 0.065 0.000 0.829 545 Q CB 0.008 28.812 28.738 0.110 0.000 0.894 545 Q HN 0.296 nan 8.270 nan 0.000 0.433 546 V N 1.439 121.246 119.914 -0.178 0.000 2.867 546 V HA -0.233 3.888 4.120 0.003 0.000 0.260 546 V C 2.098 177.927 176.094 -0.442 0.000 1.099 546 V CA 1.237 63.290 62.300 -0.412 0.000 1.122 546 V CB -0.568 30.686 31.823 -0.948 0.000 0.708 546 V HN 0.292 nan 8.190 nan 0.000 0.490 547 L N -0.556 120.481 121.223 -0.309 0.000 2.127 547 L HA -0.005 4.337 4.340 0.003 0.000 0.203 547 L C 2.450 179.201 176.870 -0.198 0.000 1.080 547 L CA 1.020 55.712 54.840 -0.247 0.000 0.768 547 L CB -0.616 41.359 42.059 -0.139 0.000 0.924 547 L HN 0.286 nan 8.230 nan 0.000 0.444 548 N N 0.199 118.825 118.700 -0.123 0.000 2.106 548 N HA -0.115 4.627 4.740 0.003 0.000 0.188 548 N C 1.940 177.315 175.510 -0.226 0.000 1.029 548 N CA 1.387 54.360 53.050 -0.128 0.000 0.848 548 N CB -0.104 38.354 38.487 -0.047 0.000 1.007 548 N HN 0.283 nan 8.380 nan 0.000 0.423 549 M N 0.234 119.711 119.600 -0.204 0.000 2.065 549 M HA -0.171 4.310 4.480 0.003 0.000 0.259 549 M C 1.913 178.088 176.300 -0.209 0.000 1.069 549 M CA 1.253 56.462 55.300 -0.152 0.000 1.110 549 M CB -0.600 31.989 32.600 -0.019 0.000 1.328 549 M HN 0.044 nan 8.290 nan 0.000 0.405 550 L N -0.251 120.719 121.223 -0.421 0.000 2.021 550 L HA -0.251 4.091 4.340 0.003 0.000 0.215 550 L C 2.504 179.015 176.870 -0.597 0.000 1.074 550 L CA 2.000 56.322 54.840 -0.862 0.000 0.760 550 L CB -1.530 39.650 42.059 -1.465 0.000 0.889 550 L HN 0.276 nan 8.230 nan 0.000 0.433 551 Y N -1.765 118.275 120.300 -0.434 0.000 2.224 551 Y HA -0.276 4.275 4.550 0.003 0.000 0.289 551 Y C 2.346 178.175 175.900 -0.118 0.000 1.146 551 Y CA 1.010 59.022 58.100 -0.147 0.000 1.182 551 Y CB -0.815 37.549 38.460 -0.161 0.000 0.983 551 Y HN 0.180 nan 8.280 nan 0.000 0.524 552 W N 0.130 121.248 121.300 -0.302 0.000 2.350 552 W HA -0.099 4.562 4.660 0.002 0.000 0.289 552 W C 0.616 177.008 176.519 -0.211 0.000 1.215 552 W CA 1.111 58.257 57.345 -0.332 0.000 1.236 552 W CB -0.222 29.014 29.460 -0.373 0.000 1.130 552 W HN -0.323 nan 8.180 nan 0.000 0.541 553 V N 3.616 123.589 119.914 0.099 0.000 2.397 553 V HA -0.054 4.067 4.120 0.003 0.000 0.262 553 V C -0.896 175.266 176.094 0.114 0.000 1.047 553 V CA -0.833 61.523 62.300 0.093 0.000 1.003 553 V CB 0.162 32.013 31.823 0.046 0.000 1.037 553 V HN -0.050 nan 8.190 nan 0.000 0.480 554 P HA -0.118 nan 4.420 nan 0.000 0.218 554 P C 0.549 177.911 177.300 0.104 0.000 1.148 554 P CA 1.084 64.218 63.100 0.057 0.000 0.822 554 P CB 0.363 32.089 31.700 0.044 0.000 0.784 555 D N -1.636 118.835 120.400 0.119 0.000 2.352 555 D HA 0.009 4.651 4.640 0.003 0.000 0.236 555 D C 0.165 176.585 176.300 0.201 0.000 1.148 555 D CA -0.233 53.838 54.000 0.119 0.000 0.844 555 D CB -0.771 40.078 40.800 0.081 0.000 0.933 555 D HN 0.164 nan 8.370 nan 0.000 0.507 556 W N 3.246 124.563 121.300 0.027 0.000 2.251 556 W HA 0.018 4.680 4.660 0.002 0.000 0.327 556 W C 1.206 177.746 176.519 0.035 0.000 1.361 556 W CA -0.984 56.383 57.345 0.037 0.000 1.234 556 W CB 0.608 30.105 29.460 0.062 0.000 1.212 556 W HN 0.025 nan 8.180 nan 0.000 0.557 557 D N 3.207 123.495 120.400 -0.187 0.000 2.363 557 D HA 0.004 4.645 4.640 0.003 0.000 0.220 557 D C 1.253 177.144 176.300 -0.683 0.000 0.994 557 D CA 0.717 54.527 54.000 -0.316 0.000 0.890 557 D CB -0.367 40.345 40.800 -0.146 0.000 0.906 557 D HN 0.728 nan 8.370 nan 0.000 0.530 558 G N 0.086 107.908 108.800 -1.630 0.000 2.289 558 G HA2 -0.186 3.776 3.960 0.003 0.000 0.280 558 G HA3 -0.186 3.776 3.960 0.003 0.000 0.280 558 G C -0.246 174.020 174.900 -1.058 0.000 1.089 558 G CA 0.121 44.160 45.100 -1.769 0.000 0.939 558 G HN 0.390 nan 8.290 nan 0.000 0.499 559 V N 2.886 122.328 119.914 -0.786 0.000 2.501 559 V HA 0.280 4.401 4.120 0.003 0.000 0.277 559 V C 0.728 177.066 176.094 0.406 0.000 1.004 559 V CA -1.203 61.056 62.300 -0.067 0.000 0.862 559 V CB 1.178 32.985 31.823 -0.025 0.000 1.035 559 V HN 0.423 nan 8.190 nan 0.000 0.448 560 I N 7.016 127.887 120.570 0.503 0.000 2.906 560 I HA 0.071 4.242 4.170 0.003 0.000 0.301 560 I C -1.626 174.714 176.117 0.371 0.000 1.221 560 I CA -0.478 61.108 61.300 0.477 0.000 1.435 560 I CB 0.066 38.273 38.000 0.344 0.000 1.345 560 I HN 0.370 nan 8.210 nan 0.000 0.558 561 P HA 0.192 nan 4.420 nan 0.000 0.282 561 P C -0.489 177.070 177.300 0.432 0.000 1.249 561 P CA -0.412 62.892 63.100 0.340 0.000 0.806 561 P CB 0.638 32.518 31.700 0.300 0.000 0.984 562 T N 4.366 119.053 114.554 0.222 0.000 2.902 562 T HA 0.176 4.528 4.350 0.003 0.000 0.301 562 T C -1.875 172.752 174.700 -0.121 0.000 1.012 562 T CA -0.579 61.569 62.100 0.080 0.000 1.151 562 T CB -0.569 68.314 68.868 0.024 0.000 0.946 562 T HN 0.413 nan 8.240 nan 0.000 0.542 563 P HA 0.234 nan 4.420 nan 0.000 0.275 563 P C 0.511 177.509 177.300 -0.504 0.000 1.228 563 P CA -0.389 62.038 63.100 -1.122 0.000 0.786 563 P CB 0.807 31.513 31.700 -1.657 0.000 0.927 564 A N 4.253 126.867 122.820 -0.343 0.000 1.908 564 A HA -0.079 4.243 4.320 0.003 0.000 0.218 564 A C 1.286 178.756 177.584 -0.191 0.000 1.181 564 A CA 1.187 53.138 52.037 -0.144 0.000 0.627 564 A CB -0.758 18.254 19.000 0.019 0.000 0.818 564 A HN 0.584 nan 8.150 nan 0.000 0.445 565 I N -0.588 119.805 120.570 -0.294 0.000 2.377 565 I HA 0.319 4.490 4.170 0.003 0.000 0.293 565 I C 0.338 176.270 176.117 -0.308 0.000 0.987 565 I CA -0.202 60.928 61.300 -0.284 0.000 1.185 565 I CB 1.809 39.594 38.000 -0.359 0.000 1.341 565 I HN 0.172 nan 8.210 nan 0.000 0.455 566 I N 4.786 125.226 120.570 -0.216 0.000 4.124 566 I HA 0.001 4.173 4.170 0.003 0.000 0.311 566 I C 1.590 177.632 176.117 -0.125 0.000 1.259 566 I CA -0.149 61.043 61.300 -0.180 0.000 1.315 566 I CB -0.041 37.876 38.000 -0.139 0.000 1.223 566 I HN 0.567 nan 8.210 nan 0.000 0.441 567 K N 2.892 123.224 120.400 -0.112 0.000 2.583 567 K HA -0.149 4.173 4.320 0.003 0.000 0.280 567 K C -1.350 175.206 176.600 -0.074 0.000 0.881 567 K CA 0.141 56.377 56.287 -0.085 0.000 0.832 567 K CB -1.965 30.482 32.500 -0.089 0.000 0.673 567 K HN -0.187 nan 8.250 nan 0.000 0.849 568 P HA -0.216 nan 4.420 nan 0.000 0.224 568 P C -0.208 177.067 177.300 -0.041 0.000 1.154 568 P CA 1.873 64.945 63.100 -0.046 0.000 0.868 568 P CB 0.019 31.691 31.700 -0.046 0.000 0.782 569 K N -2.678 117.686 120.400 -0.060 0.000 2.556 569 K HA 0.438 4.760 4.320 0.003 0.000 0.274 569 K C -3.065 173.485 176.600 -0.083 0.000 0.966 569 K CA -2.273 53.988 56.287 -0.043 0.000 0.865 569 K CB 2.333 34.816 32.500 -0.028 0.000 1.444 569 K HN -0.304 nan 8.250 nan 0.000 0.433 570 P HA 0.432 nan 4.420 nan 0.000 0.300 570 P C -1.429 175.811 177.300 -0.099 0.000 1.326 570 P CA -0.572 62.420 63.100 -0.180 0.000 0.844 570 P CB 1.075 32.663 31.700 -0.186 0.000 0.992 571 L N 2.291 123.372 121.223 -0.237 0.000 2.327 571 L HA 0.631 4.973 4.340 0.003 0.000 0.258 571 L C -0.497 176.358 176.870 -0.025 0.000 1.024 571 L CA -0.465 54.422 54.840 0.078 0.000 0.825 571 L CB 2.002 44.049 42.059 -0.021 0.000 1.386 571 L HN 0.359 nan 8.230 nan 0.000 0.417 572 W N 0.481 121.869 121.300 0.147 0.000 2.736 572 W HA 0.550 5.211 4.660 0.003 0.000 0.335 572 W C 0.196 176.899 176.519 0.307 0.000 1.059 572 W CA -0.737 56.713 57.345 0.174 0.000 1.226 572 W CB 2.262 31.787 29.460 0.108 0.000 1.416 572 W HN 0.579 nan 8.180 nan 0.000 0.505 573 S N 1.002 116.984 115.700 0.470 0.000 2.608 573 S HA 0.321 4.793 4.470 0.003 0.000 0.261 573 S C 1.219 175.859 174.600 0.066 0.000 1.314 573 S CA 0.532 58.868 58.200 0.227 0.000 0.992 573 S CB 1.305 64.551 63.200 0.076 0.000 0.935 573 S HN 0.627 nan 8.310 nan 0.000 0.564 574 G N 1.742 110.465 108.800 -0.128 0.000 2.639 574 G HA2 -0.238 3.723 3.960 0.003 0.000 0.216 574 G HA3 -0.238 3.723 3.960 0.003 0.000 0.216 574 G C 1.279 176.102 174.900 -0.129 0.000 1.267 574 G CA 1.137 46.122 45.100 -0.191 0.000 0.801 574 G HN 0.876 nan 8.290 nan 0.000 0.592 575 K N -0.033 120.291 120.400 -0.126 0.000 2.117 575 K HA -0.290 4.032 4.320 0.003 0.000 0.215 575 K C 2.478 179.061 176.600 -0.029 0.000 1.053 575 K CA 1.655 57.892 56.287 -0.083 0.000 0.935 575 K CB -0.469 31.990 32.500 -0.067 0.000 0.719 575 K HN 0.296 nan 8.250 nan 0.000 0.460 576 Q N 0.443 120.260 119.800 0.029 0.000 2.103 576 Q HA -0.242 4.100 4.340 0.003 0.000 0.213 576 Q C 2.320 178.374 176.000 0.090 0.000 1.008 576 Q CA 2.532 58.397 55.803 0.104 0.000 0.879 576 Q CB -0.370 28.504 28.738 0.227 0.000 0.946 576 Q HN 0.529 nan 8.270 nan 0.000 0.413 577 I N -1.397 119.205 120.570 0.053 0.000 2.364 577 I HA -0.130 4.042 4.170 0.003 0.000 0.241 577 I C 2.337 178.432 176.117 -0.037 0.000 1.082 577 I CA 0.538 61.837 61.300 -0.002 0.000 1.401 577 I CB -1.144 36.831 38.000 -0.043 0.000 1.126 577 I HN 0.057 nan 8.210 nan 0.000 0.429 578 L N 1.339 122.529 121.223 -0.054 0.000 2.171 578 L HA -0.290 4.051 4.340 0.003 0.000 0.216 578 L C 2.276 179.117 176.870 -0.049 0.000 1.084 578 L CA 2.170 56.973 54.840 -0.063 0.000 0.771 578 L CB -1.052 40.952 42.059 -0.092 0.000 0.890 578 L HN 0.329 nan 8.230 nan 0.000 0.437 579 S N -1.168 114.509 115.700 -0.038 0.000 2.465 579 S HA -0.118 4.354 4.470 0.003 0.000 0.241 579 S C 1.769 176.363 174.600 -0.011 0.000 1.000 579 S CA 1.179 59.360 58.200 -0.030 0.000 0.964 579 S CB -0.484 62.705 63.200 -0.018 0.000 0.763 579 S HN 0.435 nan 8.310 nan 0.000 0.512 580 V N 0.943 120.855 119.914 -0.004 0.000 3.129 580 V HA 0.058 4.179 4.120 0.003 0.000 0.259 580 V C 2.236 178.344 176.094 0.024 0.000 1.116 580 V CA 1.218 63.532 62.300 0.023 0.000 1.127 580 V CB -0.683 31.132 31.823 -0.013 0.000 0.742 580 V HN 0.537 nan 8.190 nan 0.000 0.474 581 A N -0.280 122.536 122.820 -0.007 0.000 2.081 581 A HA 0.238 4.560 4.320 0.003 0.000 0.214 581 A C 1.121 178.691 177.584 -0.024 0.000 1.158 581 A CA 0.258 52.290 52.037 -0.009 0.000 0.724 581 A CB -0.045 18.941 19.000 -0.022 0.000 0.826 581 A HN 0.405 nan 8.150 nan 0.000 0.463 582 I N 1.811 122.361 120.570 -0.034 0.000 2.363 582 I HA 0.196 4.368 4.170 0.003 0.000 0.292 582 I C -2.469 173.625 176.117 -0.039 0.000 1.075 582 I CA -1.818 59.451 61.300 -0.051 0.000 1.333 582 I CB 0.175 38.134 38.000 -0.067 0.000 1.415 582 I HN 0.006 nan 8.210 nan 0.000 0.502 583 P HA 0.087 nan 4.420 nan 0.000 0.274 583 P C -0.536 176.742 177.300 -0.037 0.000 1.264 583 P CA -0.228 62.857 63.100 -0.025 0.000 0.795 583 P CB 0.487 32.171 31.700 -0.027 0.000 1.064 584 N N -0.993 117.690 118.700 -0.028 0.000 2.492 584 N HA 0.448 5.190 4.740 0.003 0.000 0.289 584 N C 1.059 176.548 175.510 -0.035 0.000 1.133 584 N CA 0.395 53.421 53.050 -0.040 0.000 0.961 584 N CB 0.422 38.895 38.487 -0.024 0.000 1.186 584 N HN 0.704 nan 8.380 nan 0.000 0.493 585 G N 0.055 108.821 108.800 -0.056 0.000 2.179 585 G HA2 -0.229 3.733 3.960 0.003 0.000 0.260 585 G HA3 -0.229 3.733 3.960 0.003 0.000 0.260 585 G C -0.236 174.696 174.900 0.053 0.000 0.977 585 G CA -0.262 44.849 45.100 0.019 0.000 0.641 585 G HN 0.469 nan 8.290 nan 0.000 0.533 586 I N 2.867 123.390 120.570 -0.077 0.000 2.294 586 I HA 0.277 4.448 4.170 0.003 0.000 0.295 586 I C 0.409 176.432 176.117 -0.156 0.000 1.098 586 I CA -0.369 60.896 61.300 -0.058 0.000 1.277 586 I CB -0.399 37.559 38.000 -0.071 0.000 1.434 586 I HN 0.156 nan 8.210 nan 0.000 0.498 587 H N 6.530 125.577 119.070 -0.038 0.000 2.459 587 H HA 0.565 5.123 4.556 0.003 0.000 0.332 587 H C -0.759 174.538 175.328 -0.052 0.000 1.094 587 H CA -0.772 55.248 56.048 -0.047 0.000 1.224 587 H CB 3.090 32.834 29.762 -0.031 0.000 1.449 587 H HN 0.385 nan 8.280 nan 0.000 0.484 588 L N 2.300 123.531 121.223 0.014 0.000 2.422 588 L HA 0.321 4.663 4.340 0.003 0.000 0.264 588 L C -1.194 175.637 176.870 -0.065 0.000 0.984 588 L CA -0.407 54.420 54.840 -0.022 0.000 0.819 588 L CB 2.618 44.644 42.059 -0.055 0.000 1.330 588 L HN 0.603 nan 8.230 nan 0.000 0.410 589 Q N 4.112 123.887 119.800 -0.042 0.000 2.271 589 Q HA 0.412 4.753 4.340 0.003 0.000 0.268 589 Q C -0.832 175.154 176.000 -0.024 0.000 1.021 589 Q CA -0.415 55.349 55.803 -0.065 0.000 0.802 589 Q CB 2.139 30.909 28.738 0.054 0.000 1.282 589 Q HN 0.824 nan 8.270 nan 0.000 0.431 590 R N 2.752 123.182 120.500 -0.117 0.000 2.207 590 R HA 0.339 4.680 4.340 0.003 0.000 0.180 590 R C -0.764 175.640 176.300 0.173 0.000 1.445 590 R CA 0.393 56.504 56.100 0.017 0.000 1.217 590 R CB 0.625 30.924 30.300 -0.001 0.000 1.135 590 R HN 0.670 nan 8.270 nan 0.000 0.481 591 F N 1.423 121.446 119.950 0.122 0.000 2.133 591 F HA -0.221 4.307 4.527 0.003 0.000 0.502 591 F C -0.147 175.685 175.800 0.053 0.000 1.268 591 F CA 0.546 58.602 58.000 0.094 0.000 1.610 591 F CB -0.450 38.593 39.000 0.073 0.000 2.584 591 F HN 0.335 nan 8.300 nan 0.000 0.723 592 D N 1.243 121.761 120.400 0.197 0.000 2.636 592 D HA 0.157 4.799 4.640 0.003 0.000 0.236 592 D C 0.923 177.279 176.300 0.093 0.000 1.176 592 D CA -0.455 53.613 54.000 0.115 0.000 1.081 592 D CB 0.397 41.239 40.800 0.069 0.000 1.213 592 D HN 0.681 nan 8.370 nan 0.000 0.633 593 E N -0.411 119.821 120.200 0.054 0.000 2.511 593 E HA 0.033 4.384 4.350 0.003 0.000 0.196 593 E C 0.544 177.159 176.600 0.026 0.000 1.066 593 E CA 0.050 56.470 56.400 0.034 0.000 0.871 593 E CB 0.037 29.748 29.700 0.020 0.000 0.863 593 E HN 0.453 nan 8.360 nan 0.000 0.520 594 G N 0.234 109.052 108.800 0.030 0.000 3.979 594 G HA2 0.047 4.008 3.960 0.003 0.000 0.287 594 G HA3 0.047 4.008 3.960 0.003 0.000 0.287 594 G C -0.112 174.799 174.900 0.017 0.000 1.011 594 G CA -0.270 44.838 45.100 0.015 0.000 0.818 594 G HN -0.029 nan 8.290 nan 0.000 0.470 595 T N 1.812 116.404 114.554 0.064 0.000 2.733 595 T HA 0.501 4.852 4.350 0.003 0.000 0.294 595 T C -0.290 174.510 174.700 0.166 0.000 0.956 595 T CA -0.051 62.109 62.100 0.101 0.000 0.987 595 T CB 1.373 70.367 68.868 0.210 0.000 0.920 595 T HN 0.051 nan 8.240 nan 0.000 0.470 596 T N 3.155 117.733 114.554 0.040 0.000 3.077 596 T HA 0.300 4.652 4.350 0.003 0.000 0.359 596 T C 0.751 175.444 174.700 -0.012 0.000 1.108 596 T CA -0.915 61.212 62.100 0.046 0.000 1.170 596 T CB -0.012 68.850 68.868 -0.010 0.000 1.045 596 T HN 0.598 nan 8.240 nan 0.000 0.505 597 L N 2.207 123.487 121.223 0.096 0.000 4.376 597 L HA -0.244 4.098 4.340 0.003 0.000 0.515 597 L C 0.827 177.646 176.870 -0.085 0.000 0.997 597 L CA 0.890 55.773 54.840 0.072 0.000 0.832 597 L CB -1.194 40.989 42.059 0.206 0.000 1.830 597 L HN 0.723 nan 8.230 nan 0.000 0.902 598 L N -2.536 118.517 121.223 -0.283 0.000 4.117 598 L HA 0.043 4.385 4.340 0.003 0.000 0.403 598 L C 0.832 177.524 176.870 -0.296 0.000 1.051 598 L CA 0.479 55.198 54.840 -0.201 0.000 1.521 598 L CB 0.513 42.520 42.059 -0.086 0.000 1.894 598 L HN 0.311 nan 8.230 nan 0.000 0.632 599 S N 1.454 116.891 115.700 -0.439 0.000 3.247 599 S HA -0.124 4.348 4.470 0.003 0.000 0.341 599 S C -1.619 172.876 174.600 -0.174 0.000 0.924 599 S CA 0.353 58.336 58.200 -0.363 0.000 1.323 599 S CB -1.006 61.867 63.200 -0.545 0.000 0.918 599 S HN 0.306 nan 8.310 nan 0.000 0.523 600 P HA -0.107 nan 4.420 nan 0.000 0.216 600 P C 1.135 178.406 177.300 -0.048 0.000 1.150 600 P CA 1.141 64.203 63.100 -0.063 0.000 0.843 600 P CB 0.109 31.782 31.700 -0.044 0.000 0.787 601 K N -1.038 119.332 120.400 -0.049 0.000 2.525 601 K HA -0.035 4.287 4.320 0.003 0.000 0.192 601 K C 0.164 176.743 176.600 -0.034 0.000 1.029 601 K CA 0.165 56.433 56.287 -0.032 0.000 1.029 601 K CB -0.595 31.892 32.500 -0.022 0.000 0.814 601 K HN -0.094 nan 8.250 nan 0.000 0.503 602 D N 0.829 121.199 120.400 -0.051 0.000 2.708 602 D HA -0.205 4.437 4.640 0.003 0.000 0.236 602 D C -0.854 175.434 176.300 -0.019 0.000 1.146 602 D CA 0.464 54.442 54.000 -0.037 0.000 0.662 602 D CB -1.093 39.694 40.800 -0.022 0.000 1.059 602 D HN 0.212 nan 8.370 nan 0.000 0.428 603 N N -0.122 118.552 118.700 -0.043 0.000 2.399 603 N HA 0.501 5.243 4.740 0.003 0.000 0.250 603 N C 1.326 176.851 175.510 0.026 0.000 1.272 603 N CA 1.057 54.100 53.050 -0.012 0.000 0.928 603 N CB 0.593 39.070 38.487 -0.016 0.000 1.158 603 N HN 0.476 nan 8.380 nan 0.000 0.463 604 G N 0.207 109.038 108.800 0.053 0.000 2.569 604 G HA2 -0.184 3.777 3.960 0.003 0.000 0.259 604 G HA3 -0.184 3.777 3.960 0.003 0.000 0.259 604 G C -0.473 174.490 174.900 0.105 0.000 1.263 604 G CA 0.603 45.749 45.100 0.076 0.000 0.928 604 G HN 0.749 nan 8.290 nan 0.000 0.572 605 M N -1.316 118.327 119.600 0.071 0.000 2.396 605 M HA 0.608 5.089 4.480 0.003 0.000 0.222 605 M C -1.850 174.237 176.300 -0.355 0.000 0.972 605 M CA -0.476 54.763 55.300 -0.101 0.000 0.887 605 M CB 1.321 33.871 32.600 -0.083 0.000 2.378 605 M HN 1.562 nan 8.290 nan 0.000 0.446 606 L N 6.474 127.236 121.223 -0.768 0.000 2.325 606 L HA 0.835 5.177 4.340 0.003 0.000 0.281 606 L C -1.827 174.735 176.870 -0.515 0.000 1.004 606 L CA -0.165 54.206 54.840 -0.783 0.000 0.823 606 L CB 1.408 42.652 42.059 -1.359 0.000 1.236 606 L HN 0.791 nan 8.230 nan 0.000 0.415 607 I N 6.628 127.017 120.570 -0.302 0.000 2.420 607 I HA 0.352 4.524 4.170 0.003 0.000 0.282 607 I C -0.616 175.383 176.117 -0.197 0.000 1.019 607 I CA -0.360 60.802 61.300 -0.230 0.000 1.130 607 I CB 1.414 39.308 38.000 -0.177 0.000 1.262 607 I HN 0.427 nan 8.210 nan 0.000 0.454 608 I N 5.572 126.023 120.570 -0.199 0.000 2.337 608 I HA 0.109 4.280 4.170 0.003 0.000 0.291 608 I C 0.145 176.055 176.117 -0.345 0.000 1.046 608 I CA 0.059 61.235 61.300 -0.206 0.000 1.324 608 I CB 0.372 38.325 38.000 -0.078 0.000 1.409 608 I HN 0.694 nan 8.210 nan 0.000 0.494 609 D N 6.020 125.971 120.400 -0.748 0.000 3.861 609 D HA -0.189 4.453 4.640 0.003 0.000 0.222 609 D C 1.336 177.487 176.300 -0.248 0.000 1.063 609 D CA 1.215 54.900 54.000 -0.526 0.000 1.163 609 D CB -0.235 40.384 40.800 -0.302 0.000 0.765 609 D HN 1.053 nan 8.370 nan 0.000 0.383 610 G N 2.846 111.525 108.800 -0.203 0.000 2.291 610 G HA2 -0.326 3.635 3.960 0.003 0.000 0.287 610 G HA3 -0.326 3.635 3.960 0.003 0.000 0.287 610 G C 0.136 174.984 174.900 -0.087 0.000 0.998 610 G CA 1.193 46.225 45.100 -0.113 0.000 0.728 610 G HN 0.696 nan 8.290 nan 0.000 0.519 611 Q N -0.681 119.053 119.800 -0.110 0.000 2.289 611 Q HA 0.485 4.826 4.340 0.003 0.000 0.270 611 Q C 0.185 176.118 176.000 -0.113 0.000 1.038 611 Q CA -0.798 54.957 55.803 -0.080 0.000 0.812 611 Q CB 2.280 30.988 28.738 -0.051 0.000 1.300 611 Q HN 0.648 nan 8.270 nan 0.000 0.427 612 I N 0.380 120.888 120.570 -0.105 0.000 2.472 612 I HA 0.257 4.429 4.170 0.003 0.000 0.290 612 I C 0.024 176.057 176.117 -0.140 0.000 1.016 612 I CA -0.332 60.881 61.300 -0.145 0.000 1.348 612 I CB 0.639 38.561 38.000 -0.130 0.000 1.417 612 I HN 0.516 nan 8.210 nan 0.000 0.521 613 I N 5.301 125.733 120.570 -0.230 0.000 3.039 613 I HA 0.257 4.428 4.170 0.003 0.000 0.270 613 I C 0.368 176.438 176.117 -0.078 0.000 1.150 613 I CA 0.881 62.074 61.300 -0.179 0.000 1.448 613 I CB -0.593 37.265 38.000 -0.238 0.000 1.197 613 I HN 0.733 nan 8.210 nan 0.000 0.450 614 F N -0.049 119.862 119.950 -0.064 0.000 2.711 614 F HA 0.763 5.292 4.527 0.003 0.000 0.313 614 F C -0.116 175.632 175.800 -0.087 0.000 1.141 614 F CA -1.403 56.557 58.000 -0.067 0.000 0.941 614 F CB 0.665 39.630 39.000 -0.058 0.000 1.349 614 F HN 0.126 nan 8.300 nan 0.000 0.464 615 G N 0.564 109.562 108.800 0.330 0.000 2.721 615 G HA2 0.207 4.169 3.960 0.003 0.000 0.686 615 G HA3 0.207 4.169 3.960 0.003 0.000 0.686 615 G C -1.307 173.619 174.900 0.044 0.000 1.236 615 G CA -0.692 44.523 45.100 0.192 0.000 0.786 615 G HN 1.319 nan 8.290 nan 0.000 0.616 616 V N 1.618 121.534 119.914 0.004 0.000 2.715 616 V HA 0.380 4.501 4.120 0.003 0.000 0.299 616 V C 1.378 177.444 176.094 -0.047 0.000 1.054 616 V CA -0.409 61.865 62.300 -0.043 0.000 1.077 616 V CB 1.277 33.069 31.823 -0.051 0.000 0.972 616 V HN 0.901 nan 8.190 nan 0.000 0.484 617 V N 4.601 124.470 119.914 -0.074 0.000 2.607 617 V HA 0.700 4.822 4.120 0.003 0.000 0.289 617 V C 0.017 176.073 176.094 -0.063 0.000 1.053 617 V CA -0.112 62.147 62.300 -0.069 0.000 0.996 617 V CB 1.021 32.794 31.823 -0.083 0.000 0.995 617 V HN 1.232 nan 8.190 nan 0.000 0.476 618 E N 1.698 121.873 120.200 -0.041 0.000 2.368 618 E HA 0.280 4.631 4.350 0.003 0.000 0.267 618 E C 0.348 176.943 176.600 -0.009 0.000 1.216 618 E CA -0.692 55.691 56.400 -0.029 0.000 0.891 618 E CB 0.627 30.311 29.700 -0.027 0.000 1.524 618 E HN 0.165 nan 8.360 nan 0.000 0.445 619 K N 0.464 120.865 120.400 0.002 0.000 2.034 619 K HA -0.202 4.119 4.320 0.003 0.000 0.214 619 K C 1.375 177.987 176.600 0.020 0.000 1.051 619 K CA 2.338 58.634 56.287 0.015 0.000 0.931 619 K CB -0.264 32.248 32.500 0.020 0.000 0.715 619 K HN 0.444 nan 8.250 nan 0.000 0.446 620 K N -0.488 119.923 120.400 0.019 0.000 2.242 620 K HA -0.171 4.150 4.320 0.003 0.000 0.206 620 K C 1.859 178.472 176.600 0.022 0.000 1.045 620 K CA 2.028 58.329 56.287 0.024 0.000 0.930 620 K CB -0.115 32.398 32.500 0.022 0.000 0.726 620 K HN 0.344 nan 8.250 nan 0.000 0.462 621 T N -0.613 113.947 114.554 0.010 0.000 2.980 621 T HA 0.000 4.352 4.350 0.003 0.000 0.239 621 T C 1.515 176.219 174.700 0.006 0.000 1.011 621 T CA 0.428 62.528 62.100 -0.001 0.000 1.171 621 T CB 0.117 68.972 68.868 -0.023 0.000 0.873 621 T HN 0.012 nan 8.240 nan 0.000 0.431 622 V N 1.907 121.826 119.914 0.008 0.000 3.271 622 V HA 0.494 4.615 4.120 0.003 0.000 0.327 622 V C 1.108 177.237 176.094 0.058 0.000 1.389 622 V CA -0.052 62.260 62.300 0.021 0.000 1.156 622 V CB -0.708 31.116 31.823 0.002 0.000 1.103 622 V HN 0.508 nan 8.190 nan 0.000 0.453 623 G N 0.732 109.563 108.800 0.052 0.000 2.735 623 G HA2 0.144 4.105 3.960 0.003 0.000 0.192 623 G HA3 0.144 4.105 3.960 0.003 0.000 0.192 623 G C 0.826 175.773 174.900 0.079 0.000 1.547 623 G CA 0.566 45.701 45.100 0.059 0.000 1.080 623 G HN 0.704 nan 8.290 nan 0.000 0.569 624 S N -0.694 115.040 115.700 0.057 0.000 2.574 624 S HA 0.322 4.794 4.470 0.003 0.000 0.242 624 S C 0.835 175.462 174.600 0.044 0.000 0.982 624 S CA 0.268 58.497 58.200 0.047 0.000 0.977 624 S CB -0.376 62.833 63.200 0.015 0.000 0.814 624 S HN 0.787 nan 8.310 nan 0.000 0.464 625 S N 1.399 117.136 115.700 0.062 0.000 2.608 625 S HA 0.267 4.738 4.470 0.003 0.000 0.261 625 S C 1.071 175.745 174.600 0.123 0.000 1.314 625 S CA -0.588 57.657 58.200 0.076 0.000 0.992 625 S CB 0.374 63.613 63.200 0.066 0.000 0.935 625 S HN 0.316 nan 8.310 nan 0.000 0.564 626 N N 1.291 120.078 118.700 0.144 0.000 2.051 626 N HA -0.081 4.660 4.740 0.003 0.000 0.192 626 N C 1.847 177.489 175.510 0.220 0.000 1.049 626 N CA 1.715 54.904 53.050 0.231 0.000 0.845 626 N CB -1.058 37.524 38.487 0.158 0.000 1.031 626 N HN 0.832 nan 8.380 nan 0.000 0.425 627 G N 0.049 108.902 108.800 0.089 0.000 2.572 627 G HA2 0.069 4.030 3.960 0.003 0.000 0.216 627 G HA3 0.069 4.030 3.960 0.003 0.000 0.216 627 G C 0.811 175.737 174.900 0.043 0.000 1.133 627 G CA 0.496 45.607 45.100 0.018 0.000 0.791 627 G HN 0.496 nan 8.290 nan 0.000 0.538 628 G N -0.172 108.678 108.800 0.083 0.000 3.168 628 G HA2 -0.044 3.918 3.960 0.003 0.000 0.238 628 G HA3 -0.044 3.918 3.960 0.003 0.000 0.238 628 G C 1.056 175.989 174.900 0.054 0.000 1.256 628 G CA -0.327 44.813 45.100 0.066 0.000 0.872 628 G HN 0.174 nan 8.290 nan 0.000 0.609 629 L N 0.438 121.669 121.223 0.013 0.000 2.131 629 L HA -0.102 4.240 4.340 0.003 0.000 0.210 629 L C 2.720 179.572 176.870 -0.030 0.000 1.092 629 L CA 1.245 56.072 54.840 -0.022 0.000 0.759 629 L CB -0.280 41.747 42.059 -0.054 0.000 0.903 629 L HN 0.546 nan 8.230 nan 0.000 0.435 630 I N -1.242 119.319 120.570 -0.015 0.000 2.286 630 I HA -0.256 3.915 4.170 0.003 0.000 0.245 630 I C 2.545 178.683 176.117 0.035 0.000 1.104 630 I CA 0.933 62.203 61.300 -0.051 0.000 1.397 630 I CB -0.874 37.136 38.000 0.016 0.000 1.072 630 I HN 0.228 nan 8.210 nan 0.000 0.417 631 H N 0.998 120.060 119.070 -0.014 0.000 2.319 631 H HA -0.115 4.443 4.556 0.003 0.000 0.299 631 H C 2.242 177.562 175.328 -0.014 0.000 1.092 631 H CA 1.981 58.025 56.048 -0.006 0.000 1.302 631 H CB -0.209 29.558 29.762 0.008 0.000 1.373 631 H HN 0.108 nan 8.280 nan 0.000 0.497 632 V N 0.043 120.035 119.914 0.131 0.000 2.216 632 V HA -0.230 3.892 4.120 0.003 0.000 0.243 632 V C 2.931 179.048 176.094 0.037 0.000 1.044 632 V CA 1.655 63.984 62.300 0.049 0.000 0.995 632 V CB -0.984 30.846 31.823 0.011 0.000 0.633 632 V HN 0.239 nan 8.190 nan 0.000 0.446 633 V N 0.440 120.352 119.914 -0.003 0.000 2.527 633 V HA -0.327 3.795 4.120 0.003 0.000 0.255 633 V C 2.465 178.546 176.094 -0.022 0.000 1.081 633 V CA 2.584 64.864 62.300 -0.033 0.000 1.092 633 V CB -1.310 30.460 31.823 -0.089 0.000 0.673 633 V HN 0.704 nan 8.190 nan 0.000 0.470 634 T N -0.749 113.803 114.554 -0.003 0.000 2.698 634 T HA -0.116 4.236 4.350 0.003 0.000 0.260 634 T C 2.132 176.848 174.700 0.025 0.000 1.044 634 T CA 0.986 63.088 62.100 0.003 0.000 1.149 634 T CB -0.222 68.647 68.868 0.001 0.000 0.864 634 T HN 0.281 nan 8.240 nan 0.000 0.419 635 R N 0.840 121.376 120.500 0.061 0.000 2.081 635 R HA 0.001 4.342 4.340 0.003 0.000 0.235 635 R C 2.473 178.802 176.300 0.047 0.000 1.131 635 R CA 1.336 57.475 56.100 0.064 0.000 0.960 635 R CB -0.519 29.833 30.300 0.087 0.000 0.856 635 R HN 0.395 nan 8.270 nan 0.000 0.436 636 E N 0.583 120.807 120.200 0.040 0.000 2.028 636 E HA -0.092 4.260 4.350 0.003 0.000 0.190 636 E C 1.737 178.356 176.600 0.033 0.000 0.984 636 E CA 1.409 57.832 56.400 0.039 0.000 0.800 636 E CB 0.236 29.960 29.700 0.039 0.000 0.758 636 E HN 0.065 nan 8.360 nan 0.000 0.448 637 K N -1.303 119.109 120.400 0.019 0.000 2.172 637 K HA 0.315 4.636 4.320 0.003 0.000 0.203 637 K C 0.929 177.535 176.600 0.011 0.000 1.040 637 K CA 0.970 57.264 56.287 0.012 0.000 0.974 637 K CB 0.804 33.302 32.500 -0.003 0.000 0.857 637 K HN 0.200 nan 8.250 nan 0.000 0.464 638 G N 0.252 109.055 108.800 0.006 0.000 2.333 638 G HA2 0.077 4.039 3.960 0.003 0.000 0.288 638 G HA3 0.077 4.039 3.960 0.003 0.000 0.288 638 G C -2.707 172.192 174.900 -0.003 0.000 1.286 638 G CA -0.562 44.542 45.100 0.006 0.000 0.865 638 G HN -0.209 nan 8.290 nan 0.000 0.506 639 P HA 0.059 nan 4.420 nan 0.000 0.215 639 P C 1.313 178.612 177.300 -0.003 0.000 1.157 639 P CA 1.238 64.333 63.100 -0.008 0.000 0.869 639 P CB 0.252 31.943 31.700 -0.014 0.000 0.781 640 Q N -0.277 119.522 119.800 -0.001 0.000 2.369 640 Q HA -0.009 4.333 4.340 0.003 0.000 0.206 640 Q C 2.047 178.048 176.000 0.001 0.000 0.963 640 Q CA 0.830 56.635 55.803 0.003 0.000 0.894 640 Q CB -0.395 28.344 28.738 0.001 0.000 0.965 640 Q HN 0.116 nan 8.270 nan 0.000 0.475 641 V N -0.129 119.780 119.914 -0.008 0.000 2.591 641 V HA -0.200 3.922 4.120 0.003 0.000 0.249 641 V C 2.115 178.182 176.094 -0.045 0.000 1.053 641 V CA 1.293 63.583 62.300 -0.018 0.000 1.068 641 V CB -0.126 31.687 31.823 -0.016 0.000 0.689 641 V HN 0.507 nan 8.190 nan 0.000 0.462 642 C N 0.053 119.319 119.300 -0.057 0.000 2.563 642 C HA 0.363 4.825 4.460 0.003 0.000 0.268 642 C C 2.893 177.819 174.990 -0.107 0.000 1.365 642 C CA 0.189 59.128 59.018 -0.131 0.000 1.754 642 C CB -1.027 26.643 27.740 -0.117 0.000 1.932 642 C HN 0.542 nan 8.230 nan 0.000 0.536 643 A N 0.763 123.597 122.820 0.024 0.000 1.845 643 A HA -0.187 4.135 4.320 0.003 0.000 0.215 643 A C 2.247 179.906 177.584 0.125 0.000 1.195 643 A CA 1.857 53.977 52.037 0.139 0.000 0.616 643 A CB -0.746 18.302 19.000 0.080 0.000 0.832 643 A HN 0.649 nan 8.150 nan 0.000 0.443 644 K N -0.707 119.720 120.400 0.045 0.000 2.515 644 K HA -0.018 4.304 4.320 0.003 0.000 0.196 644 K C 1.576 178.176 176.600 0.002 0.000 1.038 644 K CA 0.576 56.887 56.287 0.040 0.000 0.967 644 K CB -0.203 32.314 32.500 0.028 0.000 0.780 644 K HN 0.363 nan 8.250 nan 0.000 0.483 645 L N 0.145 121.313 121.223 -0.092 0.000 2.156 645 L HA -0.004 4.338 4.340 0.003 0.000 0.208 645 L C 1.368 178.133 176.870 -0.175 0.000 1.095 645 L CA 1.555 56.285 54.840 -0.183 0.000 0.770 645 L CB -0.353 41.510 42.059 -0.327 0.000 0.914 645 L HN 0.116 nan 8.230 nan 0.000 0.439 646 F N -0.204 119.749 119.950 0.005 0.000 2.113 646 F HA -0.055 4.473 4.527 0.003 0.000 0.297 646 F C 2.470 178.277 175.800 0.011 0.000 1.103 646 F CA 1.253 59.257 58.000 0.007 0.000 1.248 646 F CB -1.160 37.846 39.000 0.010 0.000 0.999 646 F HN 0.202 nan 8.300 nan 0.000 0.475 647 G N 0.468 109.391 108.800 0.205 0.000 2.529 647 G HA2 -0.338 3.624 3.960 0.003 0.000 0.219 647 G HA3 -0.338 3.624 3.960 0.003 0.000 0.219 647 G C 1.402 176.354 174.900 0.086 0.000 1.177 647 G CA 1.557 46.734 45.100 0.128 0.000 0.773 647 G HN 0.281 nan 8.290 nan 0.000 0.573 648 N N 0.464 119.199 118.700 0.059 0.000 2.331 648 N HA 0.040 4.782 4.740 0.003 0.000 0.180 648 N C 2.111 177.634 175.510 0.021 0.000 1.019 648 N CA 0.530 53.605 53.050 0.043 0.000 0.881 648 N CB -0.163 38.343 38.487 0.031 0.000 0.972 648 N HN 0.416 nan 8.380 nan 0.000 0.435 649 I N 0.533 121.113 120.570 0.015 0.000 2.500 649 I HA -0.178 3.994 4.170 0.003 0.000 0.252 649 I C 2.038 178.162 176.117 0.011 0.000 1.142 649 I CA 0.861 62.162 61.300 0.002 0.000 1.451 649 I CB -0.109 37.889 38.000 -0.004 0.000 1.093 649 I HN 0.116 nan 8.210 nan 0.000 0.430 650 Q N 0.963 120.784 119.800 0.035 0.000 1.994 650 Q HA -0.145 4.197 4.340 0.003 0.000 0.198 650 Q C 2.181 178.148 176.000 -0.055 0.000 0.976 650 Q CA 1.213 57.024 55.803 0.014 0.000 0.828 650 Q CB -0.023 28.743 28.738 0.048 0.000 0.894 650 Q HN 0.330 nan 8.270 nan 0.000 0.432 651 K N 0.010 120.374 120.400 -0.059 0.000 2.107 651 K HA -0.209 4.113 4.320 0.003 0.000 0.211 651 K C 1.995 178.410 176.600 -0.308 0.000 1.049 651 K CA 1.778 57.953 56.287 -0.187 0.000 0.927 651 K CB -0.192 32.335 32.500 0.045 0.000 0.714 651 K HN 0.083 nan 8.250 nan 0.000 0.452 652 V N 0.166 120.015 119.914 -0.108 0.000 2.446 652 V HA -0.142 3.979 4.120 0.003 0.000 0.244 652 V C 2.202 178.323 176.094 0.044 0.000 1.039 652 V CA 1.139 63.414 62.300 -0.041 0.000 1.045 652 V CB -0.165 31.655 31.823 -0.005 0.000 0.681 652 V HN 0.043 nan 8.190 nan 0.000 0.459 653 V N 0.699 120.622 119.914 0.014 0.000 2.323 653 V HA -0.176 3.946 4.120 0.003 0.000 0.244 653 V C 2.405 178.551 176.094 0.086 0.000 1.041 653 V CA 1.839 64.173 62.300 0.056 0.000 1.025 653 V CB -0.901 30.924 31.823 0.003 0.000 0.656 653 V HN 0.504 nan 8.190 nan 0.000 0.451 654 N N 0.379 119.074 118.700 -0.009 0.000 2.027 654 N HA -0.277 4.465 4.740 0.003 0.000 0.200 654 N C 1.705 177.151 175.510 -0.106 0.000 1.042 654 N CA 2.311 55.321 53.050 -0.068 0.000 0.871 654 N CB -0.831 37.567 38.487 -0.148 0.000 1.063 654 N HN 0.499 nan 8.380 nan 0.000 0.438 655 F N 0.391 120.147 119.950 -0.324 0.000 2.043 655 F HA -0.257 4.271 4.527 0.002 0.000 0.297 655 F C 2.457 178.223 175.800 -0.057 0.000 1.121 655 F CA 1.984 59.795 58.000 -0.315 0.000 1.199 655 F CB -0.800 37.849 39.000 -0.586 0.000 0.968 655 F HN 0.213 nan 8.300 nan 0.000 0.478 656 W N 0.824 122.100 121.300 -0.040 0.000 2.290 656 W HA -0.328 4.333 4.660 0.003 0.000 0.328 656 W C 2.285 178.709 176.519 -0.159 0.000 1.272 656 W CA 2.505 59.811 57.345 -0.064 0.000 1.262 656 W CB -0.943 28.520 29.460 0.004 0.000 1.151 656 W HN 0.228 nan 8.180 nan 0.000 0.473 657 L N 0.531 121.825 121.223 0.120 0.000 2.046 657 L HA -0.155 4.187 4.340 0.003 0.000 0.208 657 L C 2.432 179.146 176.870 -0.260 0.000 1.077 657 L CA 2.120 56.961 54.840 0.001 0.000 0.747 657 L CB -1.576 40.560 42.059 0.129 0.000 0.896 657 L HN 0.228 nan 8.230 nan 0.000 0.432 658 L N -0.959 120.057 121.223 -0.345 0.000 2.081 658 L HA -0.261 4.080 4.340 0.003 0.000 0.212 658 L C 2.216 178.719 176.870 -0.612 0.000 1.080 658 L CA 1.989 56.538 54.840 -0.485 0.000 0.754 658 L CB -0.906 40.782 42.059 -0.619 0.000 0.893 658 L HN 0.448 nan 8.230 nan 0.000 0.433 659 H N -2.051 116.703 119.070 -0.527 0.000 2.592 659 H HA 0.141 4.698 4.556 0.003 0.000 0.265 659 H C 1.677 176.677 175.328 -0.547 0.000 0.955 659 H CA 0.843 56.580 56.048 -0.519 0.000 1.175 659 H CB 0.142 29.547 29.762 -0.595 0.000 1.433 659 H HN 0.535 nan 8.280 nan 0.000 0.537 660 N N 0.083 118.383 118.700 -0.666 0.000 2.387 660 N HA 0.078 4.820 4.740 0.003 0.000 0.176 660 N C 0.529 175.870 175.510 -0.283 0.000 1.022 660 N CA 0.813 53.497 53.050 -0.610 0.000 0.883 660 N CB 0.967 38.750 38.487 -1.172 0.000 1.019 660 N HN 0.319 nan 8.380 nan 0.000 0.435 661 G N -0.327 108.339 108.800 -0.224 0.000 2.781 661 G HA2 -0.139 3.823 3.960 0.003 0.000 0.683 661 G HA3 -0.139 3.823 3.960 0.003 0.000 0.683 661 G C -1.147 173.840 174.900 0.146 0.000 1.390 661 G CA -0.174 44.896 45.100 -0.049 0.000 0.850 661 G HN 0.326 nan 8.290 nan 0.000 0.557 662 F N 0.302 120.220 119.950 -0.053 0.000 2.652 662 F HA 0.684 5.213 4.527 0.003 0.000 0.320 662 F C -0.173 175.617 175.800 -0.017 0.000 1.115 662 F CA -0.028 57.962 58.000 -0.016 0.000 1.053 662 F CB 1.574 40.580 39.000 0.010 0.000 1.297 662 F HN 1.166 nan 8.300 nan 0.000 0.471 663 S N 2.095 117.380 115.700 -0.692 0.000 2.811 663 S HA 0.954 5.425 4.470 0.003 0.000 0.311 663 S C -1.435 172.779 174.600 -0.642 0.000 1.152 663 S CA -0.308 57.576 58.200 -0.527 0.000 0.864 663 S CB 2.089 65.147 63.200 -0.238 0.000 1.226 663 S HN 0.685 nan 8.310 nan 0.000 0.541 664 T N 0.937 115.284 114.554 -0.345 0.000 3.395 664 T HA 0.612 4.964 4.350 0.003 0.000 0.330 664 T C -0.436 174.179 174.700 -0.141 0.000 1.076 664 T CA -0.543 61.415 62.100 -0.236 0.000 1.070 664 T CB 1.167 69.912 68.868 -0.205 0.000 1.119 664 T HN 0.823 nan 8.240 nan 0.000 0.462 665 G N 0.935 109.674 108.800 -0.101 0.000 2.498 665 G HA2 0.586 4.547 3.960 0.003 0.000 0.312 665 G HA3 0.586 4.547 3.960 0.003 0.000 0.312 665 G C 0.819 175.689 174.900 -0.049 0.000 1.230 665 G CA -1.115 43.944 45.100 -0.069 0.000 0.968 665 G HN 0.691 nan 8.290 nan 0.000 0.481 666 I N 0.194 120.740 120.570 -0.039 0.000 2.800 666 I HA 0.035 4.206 4.170 0.003 0.000 0.266 666 I C 2.407 178.513 176.117 -0.019 0.000 1.249 666 I CA 0.990 62.273 61.300 -0.027 0.000 1.458 666 I CB -0.933 37.053 38.000 -0.023 0.000 1.093 666 I HN 0.476 nan 8.210 nan 0.000 0.466 667 G N 1.104 109.891 108.800 -0.022 0.000 2.440 667 G HA2 -0.242 3.720 3.960 0.003 0.000 0.218 667 G HA3 -0.242 3.720 3.960 0.003 0.000 0.218 667 G C 1.232 176.126 174.900 -0.010 0.000 1.154 667 G CA 0.977 46.069 45.100 -0.014 0.000 0.767 667 G HN 0.413 nan 8.290 nan 0.000 0.552 668 D N 0.100 120.491 120.400 -0.016 0.000 2.392 668 D HA -0.027 4.615 4.640 0.003 0.000 0.228 668 D C 2.147 178.444 176.300 -0.006 0.000 1.003 668 D CA 1.402 55.396 54.000 -0.010 0.000 0.917 668 D CB -0.046 40.741 40.800 -0.021 0.000 0.890 668 D HN 0.534 nan 8.370 nan 0.000 0.532 669 T N -2.703 111.846 114.554 -0.007 0.000 3.091 669 T HA 0.219 4.571 4.350 0.003 0.000 0.277 669 T C 0.873 175.573 174.700 0.001 0.000 0.996 669 T CA -0.453 61.645 62.100 -0.002 0.000 0.897 669 T CB 0.589 69.459 68.868 0.003 0.000 1.109 669 T HN -0.105 nan 8.240 nan 0.000 0.534 670 I N 2.205 122.775 120.570 0.000 0.000 2.662 670 I HA 0.698 4.870 4.170 0.003 0.000 0.291 670 I C 0.336 176.456 176.117 0.004 0.000 1.046 670 I CA -0.824 60.478 61.300 0.002 0.000 1.361 670 I CB 0.713 38.715 38.000 0.002 0.000 1.429 670 I HN 0.312 nan 8.210 nan 0.000 0.558 671 A N 3.441 126.264 122.820 0.005 0.000 2.520 671 A HA 0.363 4.685 4.320 0.003 0.000 0.298 671 A C -0.618 176.972 177.584 0.010 0.000 1.051 671 A CA -0.656 51.386 52.037 0.008 0.000 0.690 671 A CB 1.149 20.153 19.000 0.006 0.000 1.281 671 A HN 0.726 nan 8.150 nan 0.000 0.402 672 D N 1.119 121.527 120.400 0.013 0.000 3.184 672 D HA -0.077 4.565 4.640 0.003 0.000 0.193 672 D C 1.709 178.017 176.300 0.013 0.000 1.050 672 D CA 1.793 55.801 54.000 0.013 0.000 0.735 672 D CB 0.601 41.410 40.800 0.015 0.000 1.142 672 D HN 0.787 nan 8.370 nan 0.000 0.515 673 G N 5.076 113.883 108.800 0.012 0.000 2.681 673 G HA2 -0.254 3.708 3.960 0.003 0.000 0.220 673 G HA3 -0.254 3.708 3.960 0.003 0.000 0.220 673 G C -0.793 174.114 174.900 0.013 0.000 1.210 673 G CA 1.190 46.297 45.100 0.012 0.000 0.783 673 G HN 0.520 nan 8.290 nan 0.000 0.609 674 P HA -0.059 nan 4.420 nan 0.000 0.216 674 P C 1.811 179.121 177.300 0.016 0.000 1.150 674 P CA 1.846 64.954 63.100 0.014 0.000 0.837 674 P CB -0.463 31.245 31.700 0.014 0.000 0.786 675 T N -0.696 113.868 114.554 0.017 0.000 2.881 675 T HA -0.084 4.267 4.350 0.003 0.000 0.270 675 T C 1.789 176.500 174.700 0.018 0.000 1.068 675 T CA 1.152 63.263 62.100 0.019 0.000 1.131 675 T CB -0.399 68.481 68.868 0.019 0.000 0.871 675 T HN -0.046 nan 8.240 nan 0.000 0.479 676 M N 0.648 120.258 119.600 0.016 0.000 2.160 676 M HA 0.165 4.647 4.480 0.003 0.000 0.264 676 M C 2.285 178.596 176.300 0.019 0.000 1.073 676 M CA 1.101 56.411 55.300 0.016 0.000 1.142 676 M CB -0.991 31.617 32.600 0.013 0.000 1.358 676 M HN 0.092 nan 8.290 nan 0.000 0.422 677 R N 0.101 120.612 120.500 0.018 0.000 2.083 677 R HA -0.166 4.175 4.340 0.003 0.000 0.237 677 R C 2.035 178.348 176.300 0.021 0.000 1.137 677 R CA 1.586 57.697 56.100 0.019 0.000 0.951 677 R CB -0.135 30.175 30.300 0.017 0.000 0.851 677 R HN 0.433 nan 8.270 nan 0.000 0.434 678 E N -0.022 120.190 120.200 0.020 0.000 2.204 678 E HA -0.162 4.189 4.350 0.003 0.000 0.194 678 E C 1.949 178.564 176.600 0.024 0.000 0.989 678 E CA 0.819 57.231 56.400 0.020 0.000 0.824 678 E CB 0.046 29.758 29.700 0.020 0.000 0.756 678 E HN 0.421 nan 8.360 nan 0.000 0.477 679 I N 0.162 120.748 120.570 0.027 0.000 2.333 679 I HA -0.199 3.973 4.170 0.003 0.000 0.246 679 I C 2.350 178.490 176.117 0.039 0.000 1.106 679 I CA 0.839 62.159 61.300 0.033 0.000 1.411 679 I CB -0.006 38.013 38.000 0.030 0.000 1.082 679 I HN 0.051 nan 8.210 nan 0.000 0.420 680 T N 0.899 115.475 114.554 0.036 0.000 2.708 680 T HA -0.206 4.145 4.350 0.003 0.000 0.266 680 T C 1.680 176.404 174.700 0.040 0.000 1.037 680 T CA 1.836 63.962 62.100 0.042 0.000 1.146 680 T CB -0.293 68.597 68.868 0.037 0.000 0.865 680 T HN 0.550 nan 8.240 nan 0.000 0.435 681 E N 0.835 121.053 120.200 0.030 0.000 2.085 681 E HA -0.167 4.184 4.350 0.003 0.000 0.194 681 E C 2.005 178.616 176.600 0.020 0.000 0.994 681 E CA 1.654 58.068 56.400 0.023 0.000 0.801 681 E CB -0.906 28.805 29.700 0.017 0.000 0.743 681 E HN 0.350 nan 8.360 nan 0.000 0.453 682 T N 1.121 115.688 114.554 0.022 0.000 2.929 682 T HA -0.075 4.277 4.350 0.003 0.000 0.271 682 T C 1.788 176.502 174.700 0.023 0.000 1.085 682 T CA 0.811 62.922 62.100 0.018 0.000 1.125 682 T CB -0.007 68.877 68.868 0.027 0.000 0.874 682 T HN 0.158 nan 8.240 nan 0.000 0.494 683 I N 1.191 121.788 120.570 0.044 0.000 2.296 683 I HA 0.073 4.245 4.170 0.003 0.000 0.242 683 I C 2.901 179.033 176.117 0.027 0.000 1.087 683 I CA 0.790 62.126 61.300 0.060 0.000 1.393 683 I CB -1.405 36.673 38.000 0.130 0.000 1.093 683 I HN 0.171 nan 8.210 nan 0.000 0.421 684 A N 1.276 124.116 122.820 0.034 0.000 2.084 684 A HA -0.229 4.092 4.320 0.003 0.000 0.221 684 A C 2.115 179.703 177.584 0.006 0.000 1.161 684 A CA 1.976 54.029 52.037 0.026 0.000 0.653 684 A CB -0.700 18.319 19.000 0.031 0.000 0.802 684 A HN 0.713 nan 8.150 nan 0.000 0.457 685 E N -0.556 119.640 120.200 -0.008 0.000 2.086 685 E HA 0.132 4.484 4.350 0.003 0.000 0.190 685 E C 2.006 178.578 176.600 -0.047 0.000 0.975 685 E CA 0.712 57.097 56.400 -0.024 0.000 0.813 685 E CB -0.534 29.147 29.700 -0.031 0.000 0.768 685 E HN 0.383 nan 8.360 nan 0.000 0.457 686 A N 1.720 124.499 122.820 -0.068 0.000 2.076 686 A HA -0.153 4.169 4.320 0.003 0.000 0.220 686 A C 2.145 179.679 177.584 -0.082 0.000 1.160 686 A CA 1.228 53.204 52.037 -0.102 0.000 0.653 686 A CB -0.376 18.539 19.000 -0.141 0.000 0.801 686 A HN 0.043 nan 8.150 nan 0.000 0.455 687 K N -0.036 120.328 120.400 -0.061 0.000 2.057 687 K HA -0.053 4.269 4.320 0.003 0.000 0.206 687 K C 1.576 178.178 176.600 0.003 0.000 1.050 687 K CA 1.348 57.615 56.287 -0.033 0.000 0.935 687 K CB -0.195 32.305 32.500 0.000 0.000 0.715 687 K HN 0.457 nan 8.250 nan 0.000 0.439 688 K N 0.584 120.989 120.400 0.009 0.000 2.487 688 K HA -0.010 4.311 4.320 0.003 0.000 0.192 688 K C 1.807 178.431 176.600 0.040 0.000 1.027 688 K CA 0.261 56.564 56.287 0.026 0.000 1.054 688 K CB 0.295 32.807 32.500 0.020 0.000 0.824 688 K HN 0.019 nan 8.250 nan 0.000 0.510 689 K N 0.497 120.922 120.400 0.042 0.000 2.211 689 K HA 0.004 4.326 4.320 0.003 0.000 0.201 689 K C 1.711 178.454 176.600 0.237 0.000 1.052 689 K CA 0.377 56.722 56.287 0.097 0.000 0.973 689 K CB 0.450 32.933 32.500 -0.029 0.000 0.766 689 K HN -0.104 nan 8.250 nan 0.000 0.466 690 V N 2.316 122.326 119.914 0.160 0.000 2.255 690 V HA -0.245 3.876 4.120 0.003 0.000 0.243 690 V C 2.308 178.448 176.094 0.076 0.000 1.038 690 V CA 1.191 63.538 62.300 0.077 0.000 1.008 690 V CB -0.453 31.362 31.823 -0.014 0.000 0.645 690 V HN 0.393 nan 8.190 nan 0.000 0.449 691 L N 0.754 122.021 121.223 0.072 0.000 1.997 691 L HA -0.329 4.013 4.340 0.003 0.000 0.227 691 L C 2.160 179.082 176.870 0.087 0.000 1.087 691 L CA 2.937 57.824 54.840 0.078 0.000 0.797 691 L CB -1.360 40.735 42.059 0.059 0.000 0.902 691 L HN 0.397 nan 8.230 nan 0.000 0.441 692 D N -1.094 119.357 120.400 0.085 0.000 2.218 692 D HA -0.129 4.513 4.640 0.003 0.000 0.204 692 D C 2.208 178.568 176.300 0.099 0.000 0.976 692 D CA 0.936 54.986 54.000 0.084 0.000 0.853 692 D CB 0.069 40.915 40.800 0.076 0.000 0.939 692 D HN 0.248 nan 8.370 nan 0.000 0.481 693 V N 0.172 120.156 119.914 0.117 0.000 2.323 693 V HA -0.190 3.931 4.120 0.003 0.000 0.244 693 V C 2.318 178.519 176.094 0.177 0.000 1.041 693 V CA 1.836 64.198 62.300 0.103 0.000 1.025 693 V CB -0.566 31.235 31.823 -0.038 0.000 0.656 693 V HN 0.253 nan 8.190 nan 0.000 0.451 694 T N -0.439 114.267 114.554 0.254 0.000 2.684 694 T HA -0.274 4.077 4.350 0.003 0.000 0.267 694 T C 1.972 176.715 174.700 0.071 0.000 1.036 694 T CA 1.853 64.111 62.100 0.263 0.000 1.148 694 T CB -0.250 68.793 68.868 0.291 0.000 0.863 694 T HN 0.250 nan 8.240 nan 0.000 0.436 695 K N 1.036 121.478 120.400 0.071 0.000 2.074 695 K HA -0.147 4.175 4.320 0.003 0.000 0.209 695 K C 2.320 178.934 176.600 0.024 0.000 1.048 695 K CA 1.539 57.849 56.287 0.039 0.000 0.926 695 K CB -0.129 32.398 32.500 0.045 0.000 0.713 695 K HN 0.466 nan 8.250 nan 0.000 0.444 696 E N -0.882 119.342 120.200 0.041 0.000 2.015 696 E HA -0.158 4.193 4.350 0.003 0.000 0.191 696 E C 1.846 178.450 176.600 0.006 0.000 0.991 696 E CA 1.041 57.459 56.400 0.031 0.000 0.802 696 E CB -0.175 29.555 29.700 0.050 0.000 0.759 696 E HN 0.374 nan 8.360 nan 0.000 0.447 697 A N 0.728 123.552 122.820 0.007 0.000 1.972 697 A HA -0.223 4.099 4.320 0.003 0.000 0.219 697 A C 2.008 179.516 177.584 -0.128 0.000 1.169 697 A CA 1.471 53.474 52.037 -0.055 0.000 0.635 697 A CB -0.468 18.491 19.000 -0.068 0.000 0.810 697 A HN 0.329 nan 8.150 nan 0.000 0.446 698 Q N -0.918 118.803 119.800 -0.132 0.000 2.224 698 Q HA 0.038 4.380 4.340 0.003 0.000 0.203 698 Q C 1.666 177.620 176.000 -0.076 0.000 0.970 698 Q CA 0.971 56.695 55.803 -0.132 0.000 0.865 698 Q CB -0.227 28.448 28.738 -0.105 0.000 0.922 698 Q HN 0.639 nan 8.270 nan 0.000 0.445 699 A N 0.800 123.592 122.820 -0.048 0.000 2.476 699 A HA 0.048 4.369 4.320 0.003 0.000 0.263 699 A C 0.367 177.934 177.584 -0.028 0.000 1.342 699 A CA -0.187 51.832 52.037 -0.029 0.000 0.926 699 A CB -0.155 18.837 19.000 -0.013 0.000 1.019 699 A HN 0.364 nan 8.150 nan 0.000 0.515 700 N N -1.029 117.645 118.700 -0.043 0.000 2.678 700 N HA -0.178 4.564 4.740 0.003 0.000 0.250 700 N C 0.566 176.063 175.510 -0.021 0.000 1.136 700 N CA 1.249 54.277 53.050 -0.038 0.000 0.757 700 N CB -1.346 37.122 38.487 -0.032 0.000 1.135 700 N HN 0.593 nan 8.380 nan 0.000 0.565 701 L N -0.726 120.489 121.223 -0.014 0.000 2.509 701 L HA 0.121 4.463 4.340 0.003 0.000 0.222 701 L C 1.067 177.940 176.870 0.006 0.000 1.123 701 L CA -0.021 54.819 54.840 -0.001 0.000 0.856 701 L CB 0.021 42.083 42.059 0.005 0.000 0.985 701 L HN 0.134 nan 8.230 nan 0.000 0.456 702 L N 1.525 122.750 121.223 0.003 0.000 2.418 702 L HA 0.089 4.431 4.340 0.003 0.000 0.274 702 L C 0.080 176.956 176.870 0.011 0.000 1.135 702 L CA 0.763 55.612 54.840 0.015 0.000 0.870 702 L CB 0.959 43.031 42.059 0.022 0.000 1.154 702 L HN 0.032 nan 8.230 nan 0.000 0.462 703 T N 4.755 119.320 114.554 0.018 0.000 2.814 703 T HA 0.283 4.635 4.350 0.003 0.000 0.297 703 T C 0.529 175.243 174.700 0.023 0.000 0.956 703 T CA -0.419 61.692 62.100 0.018 0.000 1.123 703 T CB 0.726 69.607 68.868 0.021 0.000 0.902 703 T HN 0.731 nan 8.240 nan 0.000 0.528 704 A N 5.035 127.867 122.820 0.020 0.000 2.444 704 A HA 0.251 4.572 4.320 0.003 0.000 0.273 704 A C 0.578 178.185 177.584 0.040 0.000 1.136 704 A CA -0.359 51.693 52.037 0.024 0.000 0.799 704 A CB -0.071 18.938 19.000 0.015 0.000 1.081 704 A HN 0.818 nan 8.150 nan 0.000 0.509 705 K N 1.878 122.302 120.400 0.041 0.000 2.414 705 K HA 0.037 4.359 4.320 0.003 0.000 0.272 705 K C 0.083 176.732 176.600 0.082 0.000 0.993 705 K CA -0.201 56.123 56.287 0.061 0.000 0.964 705 K CB 0.280 32.809 32.500 0.049 0.000 0.925 705 K HN 0.818 nan 8.250 nan 0.000 0.487 706 H N 0.611 119.681 119.070 0.000 0.000 3.125 706 H HA 0.003 4.561 4.556 0.003 0.000 0.310 706 H C 1.231 176.560 175.328 0.001 0.000 0.980 706 H CA 1.679 57.724 56.048 -0.005 0.000 1.422 706 H CB -0.003 29.751 29.762 -0.014 0.000 1.432 706 H HN 0.811 nan 8.280 nan 0.000 0.577 707 G N 3.789 112.312 108.800 -0.462 0.000 2.155 707 G HA2 -0.254 3.707 3.960 0.003 0.000 0.257 707 G HA3 -0.254 3.707 3.960 0.003 0.000 0.257 707 G C 0.090 174.907 174.900 -0.139 0.000 0.983 707 G CA 0.690 45.579 45.100 -0.351 0.000 0.676 707 G HN 0.832 nan 8.290 nan 0.000 0.528 708 M N -1.340 118.214 119.600 -0.076 0.000 2.550 708 M HA 0.701 5.183 4.480 0.003 0.000 0.292 708 M C 0.293 176.584 176.300 -0.015 0.000 1.221 708 M CA -0.888 54.392 55.300 -0.032 0.000 0.873 708 M CB 1.247 33.840 32.600 -0.012 0.000 1.727 708 M HN -0.026 nan 8.290 nan 0.000 0.459 709 T N 0.926 115.476 114.554 -0.007 0.000 2.680 709 T HA 0.179 4.530 4.350 0.003 0.000 0.314 709 T C 1.223 175.925 174.700 0.003 0.000 1.045 709 T CA -0.334 61.764 62.100 -0.003 0.000 1.025 709 T CB 0.444 69.311 68.868 -0.001 0.000 1.000 709 T HN 0.585 nan 8.240 nan 0.000 0.535 710 L N 0.146 121.365 121.223 -0.006 0.000 2.005 710 L HA 0.065 4.406 4.340 0.003 0.000 0.207 710 L C 2.854 179.723 176.870 -0.002 0.000 1.072 710 L CA 1.521 56.355 54.840 -0.009 0.000 0.744 710 L CB -0.689 41.348 42.059 -0.036 0.000 0.895 710 L HN 0.522 nan 8.230 nan 0.000 0.433 711 R N -0.261 120.219 120.500 -0.034 0.000 2.133 711 R HA -0.215 4.127 4.340 0.003 0.000 0.247 711 R C 2.221 178.567 176.300 0.077 0.000 1.151 711 R CA 1.681 57.764 56.100 -0.028 0.000 0.971 711 R CB -0.099 30.184 30.300 -0.028 0.000 0.866 711 R HN 0.459 nan 8.270 nan 0.000 0.447 712 E N -1.103 119.129 120.200 0.052 0.000 2.086 712 E HA -0.098 4.254 4.350 0.003 0.000 0.190 712 E C 1.902 178.527 176.600 0.041 0.000 0.975 712 E CA 1.252 57.681 56.400 0.048 0.000 0.813 712 E CB 0.166 29.879 29.700 0.022 0.000 0.768 712 E HN 0.402 nan 8.360 nan 0.000 0.457 713 S N 0.450 116.174 115.700 0.040 0.000 2.428 713 S HA -0.119 4.352 4.470 0.003 0.000 0.230 713 S C 1.856 176.452 174.600 -0.007 0.000 1.014 713 S CA 0.272 58.480 58.200 0.014 0.000 0.957 713 S CB -0.408 62.804 63.200 0.019 0.000 0.784 713 S HN 0.339 nan 8.310 nan 0.000 0.499 714 F N 2.554 122.433 119.950 -0.119 0.000 2.146 714 F HA 0.035 4.564 4.527 0.003 0.000 0.298 714 F C 2.381 178.075 175.800 -0.176 0.000 1.096 714 F CA 1.515 59.413 58.000 -0.169 0.000 1.275 714 F CB -0.188 38.715 39.000 -0.162 0.000 1.008 714 F HN 0.070 nan 8.300 nan 0.000 0.480 715 E N 0.735 120.929 120.200 -0.011 0.000 2.007 715 E HA -0.257 4.094 4.350 0.003 0.000 0.194 715 E C 1.912 178.390 176.600 -0.204 0.000 0.999 715 E CA 1.657 57.991 56.400 -0.111 0.000 0.811 715 E CB -0.942 28.787 29.700 0.047 0.000 0.762 715 E HN 0.494 nan 8.360 nan 0.000 0.450 716 D N 0.541 120.869 120.400 -0.119 0.000 2.149 716 D HA -0.185 4.456 4.640 0.003 0.000 0.194 716 D C 1.615 177.805 176.300 -0.182 0.000 1.001 716 D CA 1.419 55.355 54.000 -0.107 0.000 0.849 716 D CB -0.170 40.599 40.800 -0.050 0.000 0.939 716 D HN -0.005 nan 8.370 nan 0.000 0.449 717 N N -0.352 118.163 118.700 -0.308 0.000 2.004 717 N HA -0.148 4.594 4.740 0.003 0.000 0.196 717 N C 2.014 177.073 175.510 -0.751 0.000 1.064 717 N CA 1.542 54.257 53.050 -0.559 0.000 0.855 717 N CB -0.889 37.135 38.487 -0.772 0.000 1.056 717 N HN 0.099 nan 8.380 nan 0.000 0.423 718 V N 0.742 120.131 119.914 -0.874 0.000 2.380 718 V HA -0.216 3.905 4.120 0.003 0.000 0.251 718 V C 2.320 178.248 176.094 -0.277 0.000 1.063 718 V CA 1.295 63.195 62.300 -0.667 0.000 1.055 718 V CB -0.471 30.901 31.823 -0.750 0.000 0.657 718 V HN 0.125 nan 8.190 nan 0.000 0.455 719 V N -0.472 119.310 119.914 -0.220 0.000 2.295 719 V HA -0.245 3.876 4.120 0.003 0.000 0.246 719 V C 2.386 178.473 176.094 -0.011 0.000 1.049 719 V CA 2.161 64.406 62.300 -0.092 0.000 1.024 719 V CB -0.753 31.026 31.823 -0.073 0.000 0.648 719 V HN 0.434 nan 8.190 nan 0.000 0.447 720 R N -1.315 119.196 120.500 0.019 0.000 2.339 720 R HA 0.039 4.381 4.340 0.003 0.000 0.199 720 R C 1.783 178.235 176.300 0.253 0.000 1.018 720 R CA 0.615 56.780 56.100 0.109 0.000 1.036 720 R CB -0.147 30.218 30.300 0.108 0.000 0.899 720 R HN 0.553 nan 8.270 nan 0.000 0.473 721 F N -1.148 118.728 119.950 -0.123 0.000 2.714 721 F HA 0.072 4.600 4.527 0.003 0.000 0.294 721 F C 1.549 177.247 175.800 -0.170 0.000 1.120 721 F CA 0.040 57.957 58.000 -0.138 0.000 1.398 721 F CB 0.560 39.458 39.000 -0.170 0.000 1.120 721 F HN -0.007 nan 8.300 nan 0.000 0.589 722 L N -0.974 120.246 121.223 -0.005 0.000 2.575 722 L HA 0.065 4.407 4.340 0.003 0.000 0.228 722 L C 1.661 178.539 176.870 0.013 0.000 1.075 722 L CA 0.048 54.786 54.840 -0.170 0.000 0.867 722 L CB -0.264 41.559 42.059 -0.394 0.000 1.097 722 L HN -0.027 nan 8.230 nan 0.000 0.485 723 N N 0.699 119.431 118.700 0.053 0.000 2.106 723 N HA -0.170 4.572 4.740 0.003 0.000 0.188 723 N C 1.479 177.027 175.510 0.063 0.000 1.029 723 N CA 1.184 54.282 53.050 0.081 0.000 0.848 723 N CB -0.066 38.458 38.487 0.062 0.000 1.007 723 N HN 0.328 nan 8.380 nan 0.000 0.423 724 E N 0.254 120.471 120.200 0.029 0.000 2.401 724 E HA -0.041 4.311 4.350 0.003 0.000 0.199 724 E C 1.313 177.911 176.600 -0.003 0.000 1.023 724 E CA 0.554 56.953 56.400 -0.001 0.000 0.859 724 E CB 0.083 29.755 29.700 -0.047 0.000 0.780 724 E HN 0.370 nan 8.360 nan 0.000 0.523 725 A N 0.737 123.563 122.820 0.011 0.000 1.973 725 A HA -0.000 4.321 4.320 0.003 0.000 0.210 725 A C 1.963 179.613 177.584 0.110 0.000 1.200 725 A CA 0.382 52.434 52.037 0.024 0.000 0.707 725 A CB -0.064 18.912 19.000 -0.040 0.000 0.862 725 A HN 0.070 nan 8.150 nan 0.000 0.461 726 R N 0.379 120.981 120.500 0.170 0.000 2.080 726 R HA -0.201 4.140 4.340 0.003 0.000 0.236 726 R C 1.201 177.605 176.300 0.173 0.000 1.137 726 R CA 2.268 58.481 56.100 0.188 0.000 0.943 726 R CB -0.461 29.953 30.300 0.191 0.000 0.846 726 R HN 0.344 nan 8.270 nan 0.000 0.431 727 D N 0.209 120.714 120.400 0.174 0.000 2.144 727 D HA -0.147 4.495 4.640 0.003 0.000 0.199 727 D C 1.756 178.165 176.300 0.182 0.000 0.984 727 D CA 1.277 55.405 54.000 0.214 0.000 0.834 727 D CB -0.110 40.746 40.800 0.094 0.000 0.955 727 D HN 0.189 nan 8.370 nan 0.000 0.465 728 K N 0.344 120.807 120.400 0.105 0.000 2.103 728 K HA 0.057 4.379 4.320 0.003 0.000 0.204 728 K C 1.801 178.457 176.600 0.095 0.000 1.052 728 K CA 1.048 57.381 56.287 0.076 0.000 0.945 728 K CB -0.076 32.442 32.500 0.030 0.000 0.722 728 K HN 0.055 nan 8.250 nan 0.000 0.443 729 A N -0.297 122.584 122.820 0.102 0.000 1.935 729 A HA 0.107 4.428 4.320 0.003 0.000 0.214 729 A C 2.301 179.936 177.584 0.085 0.000 1.178 729 A CA 1.300 53.387 52.037 0.083 0.000 0.640 729 A CB -0.950 18.097 19.000 0.079 0.000 0.825 729 A HN 0.420 nan 8.150 nan 0.000 0.447 730 G N -0.176 108.694 108.800 0.117 0.000 2.421 730 G HA2 -0.232 3.730 3.960 0.003 0.000 0.216 730 G HA3 -0.232 3.730 3.960 0.003 0.000 0.216 730 G C 1.756 176.764 174.900 0.180 0.000 1.171 730 G CA 0.912 46.047 45.100 0.057 0.000 0.775 730 G HN 0.514 nan 8.290 nan 0.000 0.543 731 R N -0.390 120.377 120.500 0.445 0.000 2.097 731 R HA -0.014 4.328 4.340 0.003 0.000 0.236 731 R C 2.612 179.018 176.300 0.177 0.000 1.135 731 R CA 1.353 57.667 56.100 0.356 0.000 0.934 731 R CB -0.765 29.651 30.300 0.193 0.000 0.846 731 R HN 0.327 nan 8.270 nan 0.000 0.431 732 L N 0.146 121.439 121.223 0.117 0.000 2.263 732 L HA -0.228 4.114 4.340 0.003 0.000 0.216 732 L C 2.214 179.119 176.870 0.057 0.000 1.111 732 L CA 1.142 56.026 54.840 0.072 0.000 0.773 732 L CB -0.166 41.925 42.059 0.055 0.000 0.906 732 L HN 0.309 nan 8.230 nan 0.000 0.439 733 A N -0.599 122.252 122.820 0.053 0.000 1.924 733 A HA -0.158 4.164 4.320 0.003 0.000 0.211 733 A C 2.111 179.710 177.584 0.026 0.000 1.198 733 A CA 0.823 52.873 52.037 0.022 0.000 0.657 733 A CB -0.322 18.670 19.000 -0.013 0.000 0.852 733 A HN 0.499 nan 8.150 nan 0.000 0.454 734 E N -0.008 120.222 120.200 0.050 0.000 2.160 734 E HA -0.143 4.208 4.350 0.003 0.000 0.195 734 E C 1.393 178.045 176.600 0.086 0.000 0.991 734 E CA 1.619 58.067 56.400 0.080 0.000 0.810 734 E CB -0.215 29.612 29.700 0.211 0.000 0.742 734 E HN 0.208 nan 8.360 nan 0.000 0.466 735 V N 1.432 121.397 119.914 0.085 0.000 3.041 735 V HA -0.117 4.005 4.120 0.003 0.000 0.260 735 V C 2.106 178.227 176.094 0.046 0.000 1.105 735 V CA 1.546 63.884 62.300 0.064 0.000 1.125 735 V CB -0.494 31.365 31.823 0.060 0.000 0.730 735 V HN 0.459 nan 8.190 nan 0.000 0.479 736 N N -0.026 118.698 118.700 0.040 0.000 2.405 736 N HA 0.058 4.800 4.740 0.003 0.000 0.175 736 N C 0.756 176.283 175.510 0.029 0.000 1.051 736 N CA -0.021 53.048 53.050 0.031 0.000 0.899 736 N CB 0.215 38.717 38.487 0.026 0.000 1.000 736 N HN 0.359 nan 8.380 nan 0.000 0.451 737 L N 3.831 125.072 121.223 0.031 0.000 2.600 737 L HA 0.029 4.370 4.340 0.003 0.000 0.278 737 L C 0.341 177.232 176.870 0.036 0.000 1.139 737 L CA 0.075 54.934 54.840 0.031 0.000 0.933 737 L CB 0.175 42.252 42.059 0.030 0.000 1.266 737 L HN 0.074 nan 8.230 nan 0.000 0.471 738 K N 1.797 122.217 120.400 0.033 0.000 2.219 738 K HA 0.090 4.412 4.320 0.003 0.000 0.258 738 K C 0.291 176.915 176.600 0.040 0.000 1.008 738 K CA -0.913 55.395 56.287 0.034 0.000 0.928 738 K CB 0.842 33.361 32.500 0.031 0.000 0.983 738 K HN 0.291 nan 8.250 nan 0.000 0.484 739 D N 0.962 121.385 120.400 0.038 0.000 2.239 739 D HA -0.162 4.479 4.640 0.003 0.000 0.202 739 D C 1.505 177.836 176.300 0.052 0.000 0.993 739 D CA 1.365 55.389 54.000 0.040 0.000 0.874 739 D CB -0.289 40.529 40.800 0.031 0.000 0.922 739 D HN 0.586 nan 8.370 nan 0.000 0.464 740 L N -1.289 119.967 121.223 0.055 0.000 2.627 740 L HA 0.186 4.528 4.340 0.003 0.000 0.233 740 L C 0.307 177.227 176.870 0.083 0.000 1.144 740 L CA 0.044 54.925 54.840 0.070 0.000 0.892 740 L CB -0.768 41.326 42.059 0.058 0.000 1.039 740 L HN -0.242 nan 8.230 nan 0.000 0.442 741 N N 0.581 119.327 118.700 0.076 0.000 2.414 741 N HA 0.137 4.879 4.740 0.003 0.000 0.256 741 N C 0.861 176.435 175.510 0.107 0.000 1.029 741 N CA -0.337 52.757 53.050 0.072 0.000 0.948 741 N CB 0.458 38.974 38.487 0.049 0.000 1.102 741 N HN 0.105 nan 8.380 nan 0.000 0.496 742 N N 2.472 121.241 118.700 0.114 0.000 2.192 742 N HA -0.159 4.583 4.740 0.003 0.000 0.188 742 N C 1.259 176.885 175.510 0.193 0.000 1.013 742 N CA 1.174 54.340 53.050 0.193 0.000 0.863 742 N CB -0.038 38.414 38.487 -0.058 0.000 0.990 742 N HN 0.377 nan 8.380 nan 0.000 0.430 743 V N 1.064 121.030 119.914 0.088 0.000 2.323 743 V HA -0.110 4.012 4.120 0.003 0.000 0.244 743 V C 2.302 178.449 176.094 0.089 0.000 1.041 743 V CA 1.197 63.542 62.300 0.074 0.000 1.025 743 V CB -0.533 31.306 31.823 0.027 0.000 0.656 743 V HN 0.194 nan 8.190 nan 0.000 0.451 744 K N -0.256 120.190 120.400 0.076 0.000 2.360 744 K HA -0.199 4.122 4.320 0.003 0.000 0.201 744 K C 2.211 178.858 176.600 0.080 0.000 1.046 744 K CA 1.326 57.655 56.287 0.070 0.000 0.940 744 K CB -0.021 32.514 32.500 0.059 0.000 0.748 744 K HN 0.559 nan 8.250 nan 0.000 0.465 745 Q N -0.806 119.062 119.800 0.113 0.000 2.302 745 Q HA 0.054 4.395 4.340 0.003 0.000 0.202 745 Q C 1.772 177.817 176.000 0.075 0.000 0.936 745 Q CA 0.654 56.513 55.803 0.094 0.000 0.886 745 Q CB 0.254 29.076 28.738 0.141 0.000 0.986 745 Q HN 0.309 nan 8.270 nan 0.000 0.487 746 M N -0.720 118.966 119.600 0.143 0.000 2.506 746 M HA -0.061 4.421 4.480 0.003 0.000 0.260 746 M C 1.867 178.211 176.300 0.073 0.000 1.104 746 M CA 0.435 55.805 55.300 0.117 0.000 1.112 746 M CB 0.458 33.167 32.600 0.180 0.000 1.401 746 M HN 0.008 nan 8.290 nan 0.000 0.473 747 V N 0.566 120.523 119.914 0.072 0.000 2.407 747 V HA -0.210 3.912 4.120 0.003 0.000 0.245 747 V C 2.245 178.369 176.094 0.050 0.000 1.041 747 V CA 1.577 63.915 62.300 0.063 0.000 1.040 747 V CB -0.267 31.599 31.823 0.072 0.000 0.671 747 V HN 0.467 nan 8.190 nan 0.000 0.455 748 M N -0.233 119.392 119.600 0.041 0.000 2.099 748 M HA -0.114 4.367 4.480 0.003 0.000 0.262 748 M C 2.377 178.681 176.300 0.007 0.000 1.067 748 M CA 2.108 57.422 55.300 0.023 0.000 1.124 748 M CB -0.647 31.962 32.600 0.015 0.000 1.353 748 M HN 0.370 nan 8.290 nan 0.000 0.410 749 A N 0.215 123.032 122.820 -0.004 0.000 1.972 749 A HA 0.133 4.454 4.320 0.003 0.000 0.219 749 A C 1.749 179.334 177.584 0.000 0.000 1.169 749 A CA 1.396 53.420 52.037 -0.021 0.000 0.635 749 A CB -1.130 17.841 19.000 -0.049 0.000 0.810 749 A HN 0.709 nan 8.150 nan 0.000 0.446 750 G N -0.747 108.065 108.800 0.019 0.000 2.256 750 G HA2 -0.226 3.736 3.960 0.003 0.000 0.272 750 G HA3 -0.226 3.736 3.960 0.003 0.000 0.272 750 G C 0.766 175.682 174.900 0.028 0.000 1.076 750 G CA 1.156 46.272 45.100 0.028 0.000 0.882 750 G HN 1.339 nan 8.290 nan 0.000 0.497 751 S N -1.511 114.210 115.700 0.035 0.000 2.427 751 S HA 0.425 4.896 4.470 0.003 0.000 0.224 751 S C 0.822 175.447 174.600 0.042 0.000 1.047 751 S CA 1.221 59.444 58.200 0.039 0.000 0.953 751 S CB 0.807 64.037 63.200 0.051 0.000 0.824 751 S HN 0.614 nan 8.310 nan 0.000 0.502 752 K N -0.366 120.064 120.400 0.050 0.000 2.587 752 K HA 0.528 4.849 4.320 0.003 0.000 0.276 752 K C -1.128 175.500 176.600 0.048 0.000 0.956 752 K CA -0.036 56.276 56.287 0.042 0.000 0.857 752 K CB 1.933 34.455 32.500 0.036 0.000 1.431 752 K HN 0.512 nan 8.250 nan 0.000 0.420 753 G N 0.967 109.792 108.800 0.041 0.000 2.576 753 G HA2 0.020 3.982 3.960 0.003 0.000 0.686 753 G HA3 0.020 3.982 3.960 0.003 0.000 0.686 753 G C -1.091 173.842 174.900 0.056 0.000 1.242 753 G CA -0.489 44.638 45.100 0.045 0.000 0.819 753 G HN 0.568 nan 8.290 nan 0.000 0.655 754 S N 0.093 115.830 115.700 0.062 0.000 2.806 754 S HA 0.752 5.224 4.470 0.003 0.000 0.306 754 S C 0.693 175.364 174.600 0.118 0.000 1.167 754 S CA -0.053 58.206 58.200 0.098 0.000 0.847 754 S CB 1.606 64.868 63.200 0.103 0.000 1.216 754 S HN 1.459 nan 8.310 nan 0.000 0.532 755 F N 1.394 121.362 119.950 0.030 0.000 2.031 755 F HA -0.014 4.515 4.527 0.003 0.000 0.295 755 F C 2.006 177.828 175.800 0.036 0.000 1.133 755 F CA 1.474 59.492 58.000 0.030 0.000 1.188 755 F CB -0.292 38.723 39.000 0.025 0.000 0.974 755 F HN 0.455 nan 8.300 nan 0.000 0.473 756 I N 1.527 122.173 120.570 0.127 0.000 2.300 756 I HA -0.352 3.820 4.170 0.003 0.000 0.252 756 I C 1.811 177.880 176.117 -0.079 0.000 1.119 756 I CA 1.411 62.719 61.300 0.014 0.000 1.384 756 I CB -1.335 36.759 38.000 0.157 0.000 1.062 756 I HN 0.324 nan 8.210 nan 0.000 0.426 757 N N 0.617 119.297 118.700 -0.034 0.000 2.205 757 N HA -0.155 4.587 4.740 0.003 0.000 0.186 757 N C 1.716 177.193 175.510 -0.056 0.000 1.015 757 N CA 1.204 54.248 53.050 -0.010 0.000 0.862 757 N CB -0.063 38.431 38.487 0.011 0.000 0.986 757 N HN 0.381 nan 8.380 nan 0.000 0.429 758 I N 0.310 120.776 120.570 -0.173 0.000 2.339 758 I HA 0.002 4.174 4.170 0.003 0.000 0.245 758 I C 2.311 178.271 176.117 -0.261 0.000 1.096 758 I CA 0.487 61.664 61.300 -0.205 0.000 1.408 758 I CB -1.363 36.481 38.000 -0.260 0.000 1.092 758 I HN -0.040 nan 8.210 nan 0.000 0.423 759 A N 1.017 123.554 122.820 -0.471 0.000 1.903 759 A HA -0.275 4.047 4.320 0.003 0.000 0.219 759 A C 2.315 179.796 177.584 -0.170 0.000 1.191 759 A CA 1.973 53.785 52.037 -0.376 0.000 0.638 759 A CB -0.794 17.971 19.000 -0.390 0.000 0.823 759 A HN 0.524 nan 8.150 nan 0.000 0.451 760 Q N -1.414 118.310 119.800 -0.126 0.000 2.049 760 Q HA -0.056 4.286 4.340 0.003 0.000 0.198 760 Q C 2.332 178.291 176.000 -0.069 0.000 0.971 760 Q CA 1.442 57.173 55.803 -0.121 0.000 0.833 760 Q CB -0.214 28.517 28.738 -0.011 0.000 0.896 760 Q HN 0.708 nan 8.270 nan 0.000 0.434 761 M N -0.290 119.350 119.600 0.067 0.000 2.086 761 M HA -0.140 4.342 4.480 0.003 0.000 0.261 761 M C 1.910 178.232 176.300 0.037 0.000 1.067 761 M CA 1.360 56.741 55.300 0.134 0.000 1.116 761 M CB 0.047 32.703 32.600 0.094 0.000 1.348 761 M HN 0.025 nan 8.290 nan 0.000 0.407 762 S N -0.959 114.729 115.700 -0.019 0.000 2.511 762 S HA 0.286 4.758 4.470 0.003 0.000 0.214 762 S C 1.276 175.858 174.600 -0.031 0.000 0.997 762 S CA 0.380 58.567 58.200 -0.022 0.000 0.908 762 S CB 0.422 63.606 63.200 -0.028 0.000 0.803 762 S HN 0.468 nan 8.310 nan 0.000 0.504 763 A N 0.300 123.087 122.820 -0.054 0.000 2.083 763 A HA 0.614 4.936 4.320 0.003 0.000 0.210 763 A C 0.674 178.230 177.584 -0.047 0.000 2.137 763 A CA 0.636 52.649 52.037 -0.040 0.000 1.008 763 A CB -0.062 18.914 19.000 -0.039 0.000 1.306 763 A HN 0.731 nan 8.150 nan 0.000 0.632 764 C N -1.235 118.015 119.300 -0.083 0.000 3.302 764 C HA 0.531 4.992 4.460 0.003 0.000 0.347 764 C C 1.158 176.023 174.990 -0.207 0.000 1.218 764 C CA 0.000 58.939 59.018 -0.132 0.000 1.234 764 C CB 0.799 28.510 27.740 -0.048 0.000 1.551 764 C HN 1.321 nan 8.230 nan 0.000 0.501 765 V N 2.203 121.915 119.914 -0.338 0.000 2.878 765 V HA 0.633 4.755 4.120 0.003 0.000 0.250 765 V C 1.362 177.287 176.094 -0.281 0.000 1.075 765 V CA 1.923 63.995 62.300 -0.379 0.000 1.096 765 V CB -0.865 30.623 31.823 -0.558 0.000 0.724 765 V HN 2.892 nan 8.190 nan 0.000 0.467 766 G N 0.188 108.765 108.800 -0.373 0.000 2.610 766 G HA2 -0.157 3.805 3.960 0.003 0.000 0.304 766 G HA3 -0.157 3.805 3.960 0.003 0.000 0.304 766 G C -0.605 174.140 174.900 -0.258 0.000 1.309 766 G CA 0.008 44.983 45.100 -0.207 0.000 0.906 766 G HN 0.945 nan 8.290 nan 0.000 0.521 767 Q N -0.540 119.330 119.800 0.116 0.000 2.373 767 Q HA 0.578 4.919 4.340 0.003 0.000 0.255 767 Q C 0.097 176.077 176.000 -0.034 0.000 0.980 767 Q CA 0.396 56.276 55.803 0.128 0.000 0.882 767 Q CB 0.816 29.674 28.738 0.199 0.000 1.249 767 Q HN 0.611 nan 8.270 nan 0.000 0.438 768 Q N 1.305 121.067 119.800 -0.063 0.000 2.340 768 Q HA 0.468 4.810 4.340 0.003 0.000 0.259 768 Q C -1.387 174.576 176.000 -0.063 0.000 0.964 768 Q CA -0.123 55.628 55.803 -0.087 0.000 0.900 768 Q CB 1.530 30.223 28.738 -0.076 0.000 1.228 768 Q HN 0.693 nan 8.270 nan 0.000 0.449 769 S N 1.320 116.991 115.700 -0.049 0.000 2.566 769 S HA 0.921 5.392 4.470 0.003 0.000 0.298 769 S C -0.918 173.665 174.600 -0.029 0.000 1.083 769 S CA -0.646 57.531 58.200 -0.039 0.000 0.978 769 S CB 1.594 64.776 63.200 -0.029 0.000 1.073 769 S HN 0.307 nan 8.310 nan 0.000 0.491 770 V N 1.880 121.777 119.914 -0.028 0.000 2.932 770 V HA 0.549 4.671 4.120 0.003 0.000 0.307 770 V C 0.275 176.359 176.094 -0.018 0.000 1.147 770 V CA -0.472 61.816 62.300 -0.020 0.000 0.951 770 V CB 1.500 33.312 31.823 -0.018 0.000 1.031 770 V HN 1.182 nan 8.190 nan 0.000 0.426 771 E N 2.537 122.731 120.200 -0.011 0.000 3.313 771 E HA -0.304 4.048 4.350 0.003 0.000 0.283 771 E C 1.183 177.778 176.600 -0.008 0.000 0.941 771 E CA 2.253 58.649 56.400 -0.007 0.000 0.907 771 E CB -1.159 28.536 29.700 -0.007 0.000 1.458 771 E HN 1.835 nan 8.360 nan 0.000 0.463 772 G N -1.635 107.159 108.800 -0.011 0.000 2.254 772 G HA2 -0.335 3.627 3.960 0.003 0.000 0.225 772 G HA3 -0.335 3.627 3.960 0.003 0.000 0.225 772 G C 0.188 175.078 174.900 -0.017 0.000 1.003 772 G CA 0.314 45.409 45.100 -0.009 0.000 0.622 772 G HN 0.345 nan 8.290 nan 0.000 0.507 773 K N 1.102 121.487 120.400 -0.025 0.000 2.221 773 K HA 0.665 4.987 4.320 0.003 0.000 0.243 773 K C 0.765 177.331 176.600 -0.057 0.000 0.968 773 K CA -0.947 55.319 56.287 -0.037 0.000 0.846 773 K CB 1.324 33.804 32.500 -0.034 0.000 1.141 773 K HN 0.495 nan 8.250 nan 0.000 0.434 774 R N 1.280 121.736 120.500 -0.074 0.000 2.784 774 R HA 0.133 4.474 4.340 0.003 0.000 0.266 774 R C 0.034 176.249 176.300 -0.143 0.000 1.044 774 R CA -0.648 55.390 56.100 -0.103 0.000 1.151 774 R CB -0.042 30.192 30.300 -0.109 0.000 1.037 774 R HN 0.440 nan 8.270 nan 0.000 0.478 775 I N 1.442 121.910 120.570 -0.169 0.000 3.184 775 I HA -0.219 3.953 4.170 0.003 0.000 0.333 775 I C 1.207 177.224 176.117 -0.165 0.000 1.214 775 I CA 0.744 61.950 61.300 -0.157 0.000 1.465 775 I CB -1.181 36.644 38.000 -0.291 0.000 1.308 775 I HN 0.840 nan 8.210 nan 0.000 0.525 776 A N 7.896 130.673 122.820 -0.072 0.000 2.455 776 A HA 0.159 4.481 4.320 0.003 0.000 0.244 776 A C 0.111 177.701 177.584 0.010 0.000 1.099 776 A CA -0.027 51.971 52.037 -0.067 0.000 0.786 776 A CB 0.032 19.041 19.000 0.015 0.000 1.051 776 A HN 0.613 nan 8.150 nan 0.000 0.508 777 F N 1.092 121.055 119.950 0.022 0.000 2.425 777 F HA 0.288 4.816 4.527 0.003 0.000 0.354 777 F C 1.637 177.469 175.800 0.054 0.000 1.162 777 F CA -0.205 57.822 58.000 0.045 0.000 1.250 777 F CB 0.567 39.568 39.000 0.002 0.000 1.579 777 F HN 0.796 nan 8.300 nan 0.000 0.589 778 G N 2.884 111.834 108.800 0.250 0.000 2.404 778 G HA2 -0.141 3.820 3.960 0.003 0.000 0.214 778 G HA3 -0.141 3.820 3.960 0.003 0.000 0.214 778 G C 0.493 175.350 174.900 -0.072 0.000 1.189 778 G CA 0.044 45.169 45.100 0.042 0.000 0.789 778 G HN 0.283 nan 8.290 nan 0.000 0.533 779 F N 0.168 120.193 119.950 0.126 0.000 2.490 779 F HA 0.282 4.811 4.527 0.003 0.000 0.336 779 F C 0.918 176.733 175.800 0.025 0.000 1.178 779 F CA -0.680 57.354 58.000 0.058 0.000 1.301 779 F CB 0.864 39.884 39.000 0.033 0.000 1.175 779 F HN -0.220 nan 8.300 nan 0.000 0.593 780 V N 3.325 123.355 119.914 0.193 0.000 2.441 780 V HA -0.129 3.993 4.120 0.003 0.000 0.279 780 V C 0.079 176.119 176.094 -0.089 0.000 0.990 780 V CA 0.697 63.025 62.300 0.046 0.000 1.116 780 V CB -0.577 31.267 31.823 0.035 0.000 0.977 780 V HN 0.845 nan 8.190 nan 0.000 0.470 781 D N 2.326 122.570 120.400 -0.261 0.000 3.067 781 D HA -0.204 4.438 4.640 0.003 0.000 0.216 781 D C 0.686 176.246 176.300 -1.234 0.000 1.162 781 D CA 1.939 55.446 54.000 -0.821 0.000 0.960 781 D CB -0.373 40.152 40.800 -0.458 0.000 1.129 781 D HN 0.913 nan 8.370 nan 0.000 0.408 782 R N -2.854 117.353 120.500 -0.489 0.000 2.885 782 R HA 0.735 5.076 4.340 0.003 0.000 0.260 782 R C 0.627 177.206 176.300 0.466 0.000 1.107 782 R CA -0.732 55.337 56.100 -0.051 0.000 0.978 782 R CB 0.563 30.903 30.300 0.066 0.000 1.227 782 R HN -0.219 nan 8.270 nan 0.000 0.473 783 T N -0.107 114.826 114.554 0.632 0.000 3.021 783 T HA 0.306 4.658 4.350 0.003 0.000 0.245 783 T C 0.468 175.612 174.700 0.739 0.000 1.028 783 T CA 0.387 62.916 62.100 0.715 0.000 1.139 783 T CB 0.051 69.388 68.868 0.780 0.000 0.884 783 T HN 0.245 nan 8.240 nan 0.000 0.457 784 L N 0.469 122.032 121.223 0.566 0.000 2.434 784 L HA 0.376 4.718 4.340 0.003 0.000 0.260 784 L C -2.360 174.263 176.870 -0.412 0.000 0.983 784 L CA -2.472 52.425 54.840 0.095 0.000 0.820 784 L CB 2.605 44.732 42.059 0.113 0.000 1.361 784 L HN -0.226 nan 8.230 nan 0.000 0.410 785 P HA -0.083 nan 4.420 nan 0.000 0.242 785 P C 0.552 177.373 177.300 -0.798 0.000 1.198 785 P CA 0.897 63.462 63.100 -0.892 0.000 0.756 785 P CB -0.108 31.000 31.700 -0.986 0.000 0.911 786 H N -2.450 116.325 119.070 -0.492 0.000 2.539 786 H HA 0.219 4.776 4.556 0.003 0.000 0.269 786 H C 0.528 175.556 175.328 -0.500 0.000 0.980 786 H CA 0.174 55.902 56.048 -0.533 0.000 1.152 786 H CB -0.055 29.312 29.762 -0.658 0.000 1.407 786 H HN 0.229 nan 8.280 nan 0.000 0.564 787 F N 0.638 120.619 119.950 0.051 0.000 2.556 787 F HA 0.338 4.866 4.527 0.003 0.000 0.327 787 F C 0.851 176.655 175.800 0.006 0.000 1.059 787 F CA -1.319 56.722 58.000 0.069 0.000 0.953 787 F CB 1.270 40.349 39.000 0.133 0.000 1.227 787 F HN -0.198 nan 8.300 nan 0.000 0.478 788 S N 0.228 116.071 115.700 0.238 0.000 2.606 788 S HA 0.173 4.644 4.470 0.003 0.000 0.257 788 S C -0.220 174.420 174.600 0.068 0.000 1.327 788 S CA -0.866 57.399 58.200 0.109 0.000 0.984 788 S CB 0.422 63.679 63.200 0.095 0.000 0.941 788 S HN 0.428 nan 8.310 nan 0.000 0.576 789 K N 0.908 121.301 120.400 -0.011 0.000 2.168 789 K HA 0.130 4.451 4.320 0.003 0.000 0.258 789 K C -0.423 176.125 176.600 -0.087 0.000 1.010 789 K CA -0.237 55.984 56.287 -0.110 0.000 0.929 789 K CB 0.159 32.590 32.500 -0.115 0.000 0.998 789 K HN 0.530 nan 8.250 nan 0.000 0.479 790 D N 1.909 122.177 120.400 -0.221 0.000 2.737 790 D HA -0.186 4.456 4.640 0.003 0.000 0.238 790 D C -0.995 175.408 176.300 0.172 0.000 1.157 790 D CA 0.970 54.978 54.000 0.012 0.000 0.694 790 D CB -0.631 40.239 40.800 0.117 0.000 1.021 790 D HN 0.486 nan 8.370 nan 0.000 0.420 791 D N -0.046 120.432 120.400 0.131 0.000 2.464 791 D HA 0.181 4.823 4.640 0.003 0.000 0.243 791 D C 0.262 176.650 176.300 0.147 0.000 1.104 791 D CA -0.581 53.514 54.000 0.158 0.000 0.883 791 D CB 0.101 40.941 40.800 0.066 0.000 1.050 791 D HN 0.099 nan 8.370 nan 0.000 0.524 792 Y N 0.891 121.288 120.300 0.162 0.000 2.466 792 Y HA 0.082 4.634 4.550 0.003 0.000 0.272 792 Y C 1.539 177.498 175.900 0.097 0.000 1.169 792 Y CA -0.275 57.914 58.100 0.147 0.000 1.285 792 Y CB -0.159 38.422 38.460 0.203 0.000 1.078 792 Y HN 0.239 nan 8.280 nan 0.000 0.523 793 S N 1.421 117.225 115.700 0.173 0.000 2.569 793 S HA -0.003 4.469 4.470 0.003 0.000 0.274 793 S C -1.377 173.223 174.600 0.001 0.000 1.353 793 S CA -1.020 57.228 58.200 0.080 0.000 1.023 793 S CB 0.976 64.207 63.200 0.050 0.000 0.876 793 S HN 0.053 nan 8.310 nan 0.000 0.540 794 P HA -0.209 nan 4.420 nan 0.000 0.213 794 P C 1.242 178.569 177.300 0.043 0.000 1.170 794 P CA 1.890 64.976 63.100 -0.023 0.000 0.902 794 P CB -0.210 31.439 31.700 -0.085 0.000 0.789 795 E N 0.419 120.662 120.200 0.071 0.000 2.086 795 E HA -0.201 4.151 4.350 0.003 0.000 0.200 795 E C 2.325 178.882 176.600 -0.071 0.000 1.012 795 E CA 1.757 58.210 56.400 0.087 0.000 0.812 795 E CB -1.213 28.545 29.700 0.096 0.000 0.743 795 E HN 0.186 nan 8.360 nan 0.000 0.453 796 S N -0.317 115.198 115.700 -0.308 0.000 2.447 796 S HA -0.063 4.408 4.470 0.003 0.000 0.233 796 S C 1.538 175.906 174.600 -0.387 0.000 1.006 796 S CA 0.745 58.550 58.200 -0.660 0.000 0.957 796 S CB 0.084 62.903 63.200 -0.635 0.000 0.773 796 S HN 0.020 nan 8.310 nan 0.000 0.507 797 K N 0.057 120.262 120.400 -0.326 0.000 2.358 797 K HA 0.305 4.627 4.320 0.003 0.000 0.200 797 K C 0.836 177.154 176.600 -0.470 0.000 1.030 797 K CA 0.633 56.704 56.287 -0.360 0.000 1.097 797 K CB 0.712 33.070 32.500 -0.236 0.000 0.862 797 K HN 0.445 nan 8.250 nan 0.000 0.534 798 G N 1.587 110.042 108.800 -0.575 0.000 2.147 798 G HA2 -0.209 3.753 3.960 0.003 0.000 0.128 798 G HA3 -0.209 3.753 3.960 0.003 0.000 0.128 798 G C -0.470 174.347 174.900 -0.139 0.000 1.026 798 G CA -0.638 44.080 45.100 -0.637 0.000 0.693 798 G HN 0.192 nan 8.290 nan 0.000 0.499 799 F N 1.805 121.662 119.950 -0.154 0.000 2.427 799 F HA 0.570 5.098 4.527 0.003 0.000 0.352 799 F C 0.575 176.390 175.800 0.024 0.000 1.100 799 F CA -0.700 57.267 58.000 -0.056 0.000 1.191 799 F CB 1.556 40.531 39.000 -0.042 0.000 1.128 799 F HN 0.056 nan 8.300 nan 0.000 0.533 800 V N 7.035 126.505 119.914 -0.741 0.000 2.217 800 V HA 0.130 4.251 4.120 0.003 0.000 0.264 800 V C 0.992 176.620 176.094 -0.778 0.000 1.107 800 V CA -0.423 61.581 62.300 -0.493 0.000 0.913 800 V CB 0.452 32.102 31.823 -0.289 0.000 1.153 800 V HN 0.927 nan 8.190 nan 0.000 0.469 801 E N 2.614 122.515 120.200 -0.498 0.000 2.401 801 E HA -0.112 4.239 4.350 0.003 0.000 0.199 801 E C 0.645 177.176 176.600 -0.115 0.000 1.023 801 E CA 0.507 56.790 56.400 -0.195 0.000 0.859 801 E CB 0.360 30.168 29.700 0.179 0.000 0.780 801 E HN 0.696 nan 8.360 nan 0.000 0.523 802 N N 0.134 118.750 118.700 -0.139 0.000 2.477 802 N HA 0.123 4.865 4.740 0.003 0.000 0.284 802 N C -0.777 174.638 175.510 -0.158 0.000 1.182 802 N CA -0.174 52.824 53.050 -0.088 0.000 0.949 802 N CB 1.849 40.315 38.487 -0.034 0.000 1.204 802 N HN -0.038 nan 8.380 nan 0.000 0.526 803 S N -0.312 115.319 115.700 -0.116 0.000 2.565 803 S HA 0.307 4.778 4.470 0.003 0.000 0.290 803 S C 0.976 175.518 174.600 -0.097 0.000 1.150 803 S CA -0.681 57.426 58.200 -0.156 0.000 1.058 803 S CB 0.552 63.710 63.200 -0.071 0.000 1.032 803 S HN 0.555 nan 8.310 nan 0.000 0.510 804 Y N 0.508 120.805 120.300 -0.005 0.000 2.348 804 Y HA -0.162 4.389 4.550 0.003 0.000 0.285 804 Y C 2.217 178.103 175.900 -0.024 0.000 1.173 804 Y CA 0.757 58.851 58.100 -0.009 0.000 1.263 804 Y CB -0.097 38.359 38.460 -0.006 0.000 0.974 804 Y HN 0.559 nan 8.280 nan 0.000 0.547 805 L N 0.441 121.736 121.223 0.119 0.000 2.131 805 L HA -0.114 4.228 4.340 0.003 0.000 0.206 805 L C 1.984 178.872 176.870 0.030 0.000 1.087 805 L CA 1.748 56.622 54.840 0.057 0.000 0.767 805 L CB -0.429 41.651 42.059 0.034 0.000 0.917 805 L HN 0.174 nan 8.230 nan 0.000 0.441 806 R N -0.150 120.362 120.500 0.019 0.000 2.100 806 R HA 0.196 4.538 4.340 0.003 0.000 0.220 806 R C 0.419 176.725 176.300 0.010 0.000 1.091 806 R CA 0.647 56.752 56.100 0.009 0.000 0.986 806 R CB -0.024 30.277 30.300 0.003 0.000 0.888 806 R HN 0.553 nan 8.270 nan 0.000 0.444 807 G N 0.058 108.868 108.800 0.018 0.000 2.770 807 G HA2 -0.091 3.870 3.960 0.003 0.000 0.686 807 G HA3 -0.091 3.870 3.960 0.003 0.000 0.686 807 G C -1.429 173.481 174.900 0.016 0.000 1.180 807 G CA -1.150 43.959 45.100 0.016 0.000 0.767 807 G HN -0.034 nan 8.290 nan 0.000 0.646 808 L N 1.676 122.916 121.223 0.029 0.000 2.375 808 L HA 0.674 5.016 4.340 0.003 0.000 0.271 808 L C 1.715 178.621 176.870 0.061 0.000 1.107 808 L CA 0.100 54.981 54.840 0.068 0.000 0.806 808 L CB 1.083 43.236 42.059 0.157 0.000 1.146 808 L HN 0.952 nan 8.230 nan 0.000 0.447 809 T N -0.310 114.301 114.554 0.095 0.000 2.816 809 T HA 0.319 4.671 4.350 0.003 0.000 0.282 809 T C -1.898 172.876 174.700 0.124 0.000 0.993 809 T CA -1.532 60.618 62.100 0.084 0.000 0.994 809 T CB 0.558 69.479 68.868 0.089 0.000 1.025 809 T HN 0.397 nan 8.240 nan 0.000 0.529 810 P HA -0.149 nan 4.420 nan 0.000 0.215 810 P C 1.573 178.914 177.300 0.069 0.000 1.157 810 P CA 1.292 64.440 63.100 0.079 0.000 0.874 810 P CB 0.016 31.686 31.700 -0.050 0.000 0.790 811 Q N -0.268 119.522 119.800 -0.016 0.000 1.965 811 Q HA -0.157 4.184 4.340 0.003 0.000 0.200 811 Q C 2.179 178.122 176.000 -0.095 0.000 0.981 811 Q CA 1.428 57.133 55.803 -0.164 0.000 0.834 811 Q CB -0.991 27.773 28.738 0.043 0.000 0.900 811 Q HN 0.309 nan 8.270 nan 0.000 0.426 812 E N -0.097 120.242 120.200 0.232 0.000 2.113 812 E HA -0.273 4.079 4.350 0.003 0.000 0.210 812 E C 1.715 178.526 176.600 0.351 0.000 1.040 812 E CA 1.468 58.080 56.400 0.354 0.000 0.847 812 E CB -0.322 29.523 29.700 0.242 0.000 0.755 812 E HN 0.228 nan 8.360 nan 0.000 0.459 813 F N 0.622 120.645 119.950 0.123 0.000 2.046 813 F HA -0.232 4.297 4.527 0.003 0.000 0.297 813 F C 2.090 177.963 175.800 0.121 0.000 1.123 813 F CA 1.520 59.590 58.000 0.115 0.000 1.199 813 F CB -0.771 38.271 39.000 0.069 0.000 0.972 813 F HN -0.002 nan 8.300 nan 0.000 0.474 814 F N -0.265 119.538 119.950 -0.245 0.000 2.293 814 F HA -0.147 4.381 4.527 0.003 0.000 0.300 814 F C 2.026 177.723 175.800 -0.172 0.000 1.086 814 F CA 1.268 59.043 58.000 -0.374 0.000 1.375 814 F CB -0.740 38.065 39.000 -0.324 0.000 1.045 814 F HN 0.010 nan 8.300 nan 0.000 0.516 815 F N -1.235 118.753 119.950 0.063 0.000 2.113 815 F HA -0.244 4.284 4.527 0.003 0.000 0.297 815 F C 2.766 178.535 175.800 -0.051 0.000 1.103 815 F CA 1.221 59.228 58.000 0.011 0.000 1.248 815 F CB -0.811 38.260 39.000 0.118 0.000 0.999 815 F HN 0.008 nan 8.300 nan 0.000 0.475 816 H N 0.954 120.094 119.070 0.116 0.000 2.319 816 H HA -0.184 4.374 4.556 0.003 0.000 0.297 816 H C 2.181 177.451 175.328 -0.096 0.000 1.097 816 H CA 1.503 57.580 56.048 0.047 0.000 1.285 816 H CB -0.581 29.275 29.762 0.157 0.000 1.368 816 H HN 0.214 nan 8.280 nan 0.000 0.495 817 A N 0.566 123.290 122.820 -0.160 0.000 1.958 817 A HA -0.237 4.085 4.320 0.003 0.000 0.221 817 A C 2.803 180.220 177.584 -0.278 0.000 1.178 817 A CA 2.097 53.912 52.037 -0.370 0.000 0.642 817 A CB -0.743 17.814 19.000 -0.738 0.000 0.816 817 A HN 0.495 nan 8.150 nan 0.000 0.453 818 M N -1.117 118.310 119.600 -0.288 0.000 2.123 818 M HA -0.027 4.455 4.480 0.003 0.000 0.263 818 M C 2.364 178.620 176.300 -0.072 0.000 1.069 818 M CA 1.321 56.498 55.300 -0.205 0.000 1.133 818 M CB -0.576 31.938 32.600 -0.143 0.000 1.356 818 M HN 0.504 nan 8.290 nan 0.000 0.415 819 G N -0.074 108.715 108.800 -0.017 0.000 2.552 819 G HA2 -0.179 3.782 3.960 0.003 0.000 0.216 819 G HA3 -0.179 3.782 3.960 0.003 0.000 0.216 819 G C 1.473 176.391 174.900 0.030 0.000 1.240 819 G CA 1.060 46.161 45.100 0.003 0.000 0.796 819 G HN 0.546 nan 8.290 nan 0.000 0.568 820 G N 0.672 109.536 108.800 0.107 0.000 2.805 820 G HA2 -0.433 3.529 3.960 0.003 0.000 0.227 820 G HA3 -0.433 3.529 3.960 0.003 0.000 0.227 820 G C 1.874 176.791 174.900 0.029 0.000 1.143 820 G CA 1.789 46.953 45.100 0.106 0.000 0.759 820 G HN 0.543 nan 8.290 nan 0.000 0.634 821 R N 0.244 120.738 120.500 -0.011 0.000 2.062 821 R HA -0.000 4.341 4.340 0.003 0.000 0.231 821 R C 2.560 178.852 176.300 -0.013 0.000 1.136 821 R CA 1.614 57.699 56.100 -0.024 0.000 0.948 821 R CB -0.481 29.788 30.300 -0.052 0.000 0.845 821 R HN 0.501 nan 8.270 nan 0.000 0.430 822 E N -0.449 119.742 120.200 -0.014 0.000 2.233 822 E HA -0.184 4.168 4.350 0.003 0.000 0.199 822 E C 1.452 178.052 176.600 -0.000 0.000 1.004 822 E CA 1.291 57.686 56.400 -0.008 0.000 0.819 822 E CB -0.196 29.498 29.700 -0.009 0.000 0.738 822 E HN 0.542 nan 8.360 nan 0.000 0.478 823 G N 1.590 110.394 108.800 0.006 0.000 2.808 823 G HA2 -0.275 3.686 3.960 0.003 0.000 0.211 823 G HA3 -0.275 3.686 3.960 0.003 0.000 0.211 823 G C 1.504 176.407 174.900 0.006 0.000 1.364 823 G CA 1.009 46.116 45.100 0.012 0.000 0.824 823 G HN 0.278 nan 8.290 nan 0.000 0.630 824 L N 0.454 121.681 121.223 0.006 0.000 2.149 824 L HA -0.282 4.059 4.340 0.003 0.000 0.223 824 L C 2.832 179.701 176.870 -0.002 0.000 1.089 824 L CA 1.162 56.003 54.840 0.001 0.000 0.800 824 L CB -0.705 41.353 42.059 -0.001 0.000 0.897 824 L HN 0.247 nan 8.230 nan 0.000 0.443 825 I N 0.105 120.674 120.570 -0.003 0.000 2.142 825 I HA -0.260 3.912 4.170 0.003 0.000 0.240 825 I C 2.497 178.613 176.117 -0.002 0.000 1.078 825 I CA 2.001 63.298 61.300 -0.004 0.000 1.343 825 I CB -1.600 36.396 38.000 -0.005 0.000 1.046 825 I HN 0.543 nan 8.210 nan 0.000 0.405 826 D N 0.913 121.313 120.400 -0.000 0.000 2.123 826 D HA -0.171 4.470 4.640 0.003 0.000 0.200 826 D C 1.686 177.987 176.300 0.001 0.000 0.976 826 D CA 2.017 56.018 54.000 0.002 0.000 0.831 826 D CB -0.690 40.113 40.800 0.004 0.000 0.974 826 D HN 0.310 nan 8.370 nan 0.000 0.469 827 T N 0.736 115.291 114.554 0.001 0.000 2.849 827 T HA -0.037 4.314 4.350 0.003 0.000 0.270 827 T C 2.176 176.874 174.700 -0.003 0.000 1.066 827 T CA 1.604 63.703 62.100 -0.001 0.000 1.130 827 T CB -0.336 68.531 68.868 -0.000 0.000 0.864 827 T HN 0.391 nan 8.240 nan 0.000 0.481 828 A N 0.692 123.510 122.820 -0.003 0.000 1.854 828 A HA 0.087 4.409 4.320 0.003 0.000 0.214 828 A C 2.586 180.168 177.584 -0.004 0.000 1.192 828 A CA 1.137 53.171 52.037 -0.005 0.000 0.611 828 A CB -1.021 17.976 19.000 -0.005 0.000 0.832 828 A HN 0.332 nan 8.150 nan 0.000 0.442 829 V N -0.328 119.585 119.914 -0.002 0.000 2.407 829 V HA -0.156 3.966 4.120 0.003 0.000 0.245 829 V C 2.435 178.533 176.094 0.005 0.000 1.041 829 V CA 2.547 64.847 62.300 -0.000 0.000 1.040 829 V CB -0.402 31.420 31.823 -0.001 0.000 0.671 829 V HN 0.634 nan 8.190 nan 0.000 0.455 830 K N -0.311 120.092 120.400 0.006 0.000 2.117 830 K HA -0.280 4.041 4.320 0.003 0.000 0.215 830 K C 2.168 178.774 176.600 0.010 0.000 1.053 830 K CA 2.692 58.984 56.287 0.008 0.000 0.935 830 K CB -0.757 31.745 32.500 0.003 0.000 0.719 830 K HN 0.502 nan 8.250 nan 0.000 0.460 831 T N -1.617 112.940 114.554 0.005 0.000 3.067 831 T HA 0.189 4.541 4.350 0.003 0.000 0.261 831 T C 1.402 176.109 174.700 0.011 0.000 1.110 831 T CA 0.836 62.937 62.100 0.002 0.000 1.113 831 T CB -0.089 68.775 68.868 -0.006 0.000 0.917 831 T HN 0.351 nan 8.240 nan 0.000 0.499 832 A N 0.877 123.705 122.820 0.013 0.000 1.903 832 A HA 0.129 4.451 4.320 0.003 0.000 0.213 832 A C 2.139 179.751 177.584 0.047 0.000 1.185 832 A CA 0.952 52.999 52.037 0.018 0.000 0.628 832 A CB -0.330 18.669 19.000 -0.002 0.000 0.830 832 A HN 0.566 nan 8.150 nan 0.000 0.446 833 E N -0.378 119.851 120.200 0.048 0.000 2.038 833 E HA -0.147 4.205 4.350 0.003 0.000 0.195 833 E C 2.042 178.717 176.600 0.124 0.000 1.000 833 E CA 1.689 58.144 56.400 0.092 0.000 0.803 833 E CB -0.393 29.347 29.700 0.067 0.000 0.750 833 E HN 0.562 nan 8.360 nan 0.000 0.448 834 T N 0.351 114.944 114.554 0.065 0.000 2.516 834 T HA -0.203 4.148 4.350 0.003 0.000 0.261 834 T C 1.908 176.636 174.700 0.046 0.000 1.130 834 T CA 1.621 63.744 62.100 0.038 0.000 1.193 834 T CB -0.974 67.898 68.868 0.007 0.000 0.864 834 T HN 0.434 nan 8.240 nan 0.000 0.410 835 G N -0.420 108.404 108.800 0.040 0.000 2.631 835 G HA2 -0.275 3.687 3.960 0.003 0.000 0.221 835 G HA3 -0.275 3.687 3.960 0.003 0.000 0.221 835 G C 1.273 176.232 174.900 0.100 0.000 1.095 835 G CA 1.141 46.265 45.100 0.041 0.000 0.727 835 G HN 0.603 nan 8.290 nan 0.000 0.587 836 Y N 0.730 121.029 120.300 -0.002 0.000 2.262 836 Y HA 0.094 4.645 4.550 0.003 0.000 0.295 836 Y C 2.501 178.424 175.900 0.040 0.000 1.121 836 Y CA 0.048 58.157 58.100 0.016 0.000 1.144 836 Y CB -0.092 38.376 38.460 0.012 0.000 1.043 836 Y HN 0.064 nan 8.280 nan 0.000 0.528 837 I N 1.018 121.555 120.570 -0.056 0.000 2.065 837 I HA -0.417 3.754 4.170 0.003 0.000 0.236 837 I C 2.496 178.525 176.117 -0.147 0.000 1.028 837 I CA 1.844 63.066 61.300 -0.130 0.000 1.299 837 I CB -1.668 36.309 38.000 -0.037 0.000 1.015 837 I HN 0.355 nan 8.210 nan 0.000 0.396 838 Q N 0.503 120.252 119.800 -0.086 0.000 2.197 838 Q HA -0.258 4.084 4.340 0.003 0.000 0.211 838 Q C 2.415 178.365 176.000 -0.085 0.000 0.993 838 Q CA 1.845 57.598 55.803 -0.084 0.000 0.883 838 Q CB -0.233 28.466 28.738 -0.064 0.000 0.916 838 Q HN 0.457 nan 8.270 nan 0.000 0.418 839 R N -0.453 120.002 120.500 -0.075 0.000 2.115 839 R HA -0.057 4.285 4.340 0.003 0.000 0.226 839 R C 2.271 178.590 176.300 0.033 0.000 1.100 839 R CA 0.994 57.086 56.100 -0.014 0.000 0.980 839 R CB 0.174 30.502 30.300 0.046 0.000 0.875 839 R HN 0.156 nan 8.270 nan 0.000 0.445 840 R N 0.040 120.508 120.500 -0.053 0.000 2.055 840 R HA 0.032 4.374 4.340 0.003 0.000 0.226 840 R C 2.334 178.481 176.300 -0.255 0.000 1.135 840 R CA 0.722 56.824 56.100 0.004 0.000 0.959 840 R CB -0.532 29.770 30.300 0.003 0.000 0.854 840 R HN 0.095 nan 8.270 nan 0.000 0.431 841 L N 0.436 121.530 121.223 -0.216 0.000 2.054 841 L HA -0.334 4.008 4.340 0.003 0.000 0.220 841 L C 2.250 178.979 176.870 -0.235 0.000 1.081 841 L CA 1.527 56.234 54.840 -0.221 0.000 0.780 841 L CB -0.513 41.455 42.059 -0.152 0.000 0.893 841 L HN 0.109 nan 8.230 nan 0.000 0.438 842 V N -0.741 119.069 119.914 -0.173 0.000 2.261 842 V HA -0.271 3.850 4.120 0.003 0.000 0.246 842 V C 2.436 178.410 176.094 -0.199 0.000 1.047 842 V CA 1.622 63.834 62.300 -0.148 0.000 1.015 842 V CB -0.480 31.293 31.823 -0.084 0.000 0.642 842 V HN 0.365 nan 8.190 nan 0.000 0.446 843 K N -0.187 120.090 120.400 -0.205 0.000 2.442 843 K HA 0.028 4.350 4.320 0.003 0.000 0.198 843 K C 2.008 178.203 176.600 -0.676 0.000 1.042 843 K CA 1.155 57.306 56.287 -0.226 0.000 0.958 843 K CB -0.301 32.249 32.500 0.084 0.000 0.766 843 K HN 0.505 nan 8.250 nan 0.000 0.474 844 A N 0.788 122.982 122.820 -1.042 0.000 1.861 844 A HA -0.005 4.317 4.320 0.003 0.000 0.212 844 A C 2.128 179.366 177.584 -0.577 0.000 1.199 844 A CA 0.660 51.859 52.037 -1.397 0.000 0.613 844 A CB -0.330 17.927 19.000 -1.237 0.000 0.846 844 A HN 0.171 nan 8.150 nan 0.000 0.446 845 L N -1.352 119.647 121.223 -0.374 0.000 2.162 845 L HA -0.034 4.308 4.340 0.003 0.000 0.205 845 L C 2.046 178.827 176.870 -0.148 0.000 1.086 845 L CA 1.140 55.858 54.840 -0.204 0.000 0.778 845 L CB -0.797 41.176 42.059 -0.144 0.000 0.928 845 L HN 0.610 nan 8.230 nan 0.000 0.446 846 E N 1.464 121.572 120.200 -0.153 0.000 2.950 846 E HA -0.406 3.945 4.350 0.003 0.000 0.208 846 E C 1.055 177.611 176.600 -0.075 0.000 0.906 846 E CA 2.602 58.942 56.400 -0.100 0.000 1.607 846 E CB -0.423 29.225 29.700 -0.086 0.000 1.582 846 E HN 0.739 nan 8.360 nan 0.000 0.440 847 D N 0.319 120.681 120.400 -0.062 0.000 2.338 847 D HA -0.028 4.613 4.640 0.003 0.000 0.239 847 D C 0.420 176.691 176.300 -0.048 0.000 1.095 847 D CA 0.216 54.189 54.000 -0.045 0.000 0.888 847 D CB -0.293 40.497 40.800 -0.018 0.000 0.899 847 D HN 0.162 nan 8.370 nan 0.000 0.525 848 I N 2.062 122.598 120.570 -0.056 0.000 2.308 848 I HA 0.205 4.377 4.170 0.003 0.000 0.293 848 I C 0.547 176.612 176.117 -0.087 0.000 1.078 848 I CA -0.200 61.071 61.300 -0.049 0.000 1.292 848 I CB -0.165 37.822 38.000 -0.022 0.000 1.423 848 I HN 0.064 nan 8.210 nan 0.000 0.493 849 M N 5.112 124.619 119.600 -0.155 0.000 2.602 849 M HA 0.650 5.132 4.480 0.003 0.000 0.312 849 M C -0.819 175.296 176.300 -0.309 0.000 1.181 849 M CA -0.958 54.191 55.300 -0.252 0.000 0.910 849 M CB 2.111 34.520 32.600 -0.318 0.000 1.723 849 M HN -0.009 nan 8.290 nan 0.000 0.459 850 V N 3.074 122.807 119.914 -0.301 0.000 2.521 850 V HA 0.142 4.264 4.120 0.003 0.000 0.286 850 V C 0.400 176.292 176.094 -0.337 0.000 1.034 850 V CA -0.027 62.125 62.300 -0.247 0.000 1.045 850 V CB -0.403 31.267 31.823 -0.254 0.000 0.974 850 V HN 0.724 nan 8.190 nan 0.000 0.480 851 H N 3.319 122.314 119.070 -0.125 0.000 2.499 851 H HA 0.230 4.787 4.556 0.003 0.000 0.352 851 H C 0.202 175.458 175.328 -0.121 0.000 1.237 851 H CA -0.284 55.690 56.048 -0.123 0.000 1.343 851 H CB 0.920 30.669 29.762 -0.021 0.000 1.578 851 H HN 0.625 nan 8.280 nan 0.000 0.577 852 Y N 0.436 120.854 120.300 0.196 0.000 2.688 852 Y HA -0.120 4.431 4.550 0.003 0.000 0.311 852 Y C 0.879 176.833 175.900 0.089 0.000 1.185 852 Y CA 0.276 58.445 58.100 0.114 0.000 1.336 852 Y CB 0.016 38.541 38.460 0.109 0.000 1.015 852 Y HN 0.515 nan 8.280 nan 0.000 0.522 853 D N -2.604 117.919 120.400 0.205 0.000 2.525 853 D HA 0.007 4.649 4.640 0.003 0.000 0.229 853 D C 0.381 176.755 176.300 0.125 0.000 1.202 853 D CA -0.198 53.890 54.000 0.147 0.000 0.828 853 D CB -0.659 40.214 40.800 0.122 0.000 1.008 853 D HN 0.027 nan 8.370 nan 0.000 0.493 854 N N -0.765 117.998 118.700 0.104 0.000 2.717 854 N HA -0.206 4.536 4.740 0.003 0.000 0.248 854 N C -0.275 175.297 175.510 0.103 0.000 1.099 854 N CA 1.321 54.417 53.050 0.078 0.000 0.843 854 N CB -1.090 37.443 38.487 0.077 0.000 1.155 854 N HN 0.394 nan 8.380 nan 0.000 0.580 855 T N -0.232 114.395 114.554 0.120 0.000 2.849 855 T HA 0.235 4.587 4.350 0.003 0.000 0.284 855 T C 0.108 174.868 174.700 0.100 0.000 1.004 855 T CA 0.354 62.523 62.100 0.116 0.000 1.021 855 T CB 0.998 69.933 68.868 0.111 0.000 1.013 855 T HN 0.007 nan 8.240 nan 0.000 0.527 856 T N 4.395 118.983 114.554 0.056 0.000 2.821 856 T HA 0.536 4.887 4.350 0.003 0.000 0.307 856 T C -0.319 174.398 174.700 0.028 0.000 1.034 856 T CA -0.647 61.490 62.100 0.063 0.000 0.953 856 T CB 0.132 69.064 68.868 0.106 0.000 0.968 856 T HN 0.628 nan 8.240 nan 0.000 0.462 857 R N 2.514 123.079 120.500 0.107 0.000 2.831 857 R HA 0.582 4.923 4.340 0.003 0.000 0.266 857 R C -0.197 176.161 176.300 0.096 0.000 1.051 857 R CA -1.230 54.925 56.100 0.090 0.000 0.943 857 R CB 1.283 31.630 30.300 0.079 0.000 1.228 857 R HN 0.585 nan 8.270 nan 0.000 0.467 858 N N -0.596 118.141 118.700 0.062 0.000 2.620 858 N HA 0.084 4.826 4.740 0.003 0.000 0.307 858 N C 0.394 175.954 175.510 0.083 0.000 1.316 858 N CA -0.423 52.658 53.050 0.051 0.000 0.931 858 N CB 0.848 39.345 38.487 0.017 0.000 1.116 858 N HN 0.610 nan 8.380 nan 0.000 0.573 859 S N -0.360 115.372 115.700 0.053 0.000 2.423 859 S HA -0.038 4.434 4.470 0.003 0.000 0.231 859 S C 1.871 176.495 174.600 0.039 0.000 1.014 859 S CA 0.590 58.822 58.200 0.054 0.000 0.965 859 S CB -0.631 62.591 63.200 0.037 0.000 0.785 859 S HN 0.495 nan 8.310 nan 0.000 0.495 860 L N 0.680 121.920 121.223 0.028 0.000 2.446 860 L HA 0.362 4.703 4.340 0.003 0.000 0.219 860 L C 1.906 178.776 176.870 -0.000 0.000 1.116 860 L CA 0.461 55.310 54.840 0.016 0.000 0.844 860 L CB -0.588 41.481 42.059 0.017 0.000 0.970 860 L HN 0.545 nan 8.230 nan 0.000 0.457 861 G N -0.152 108.643 108.800 -0.009 0.000 2.144 861 G HA2 -0.230 3.732 3.960 0.003 0.000 0.218 861 G HA3 -0.230 3.732 3.960 0.003 0.000 0.218 861 G C -0.145 174.736 174.900 -0.033 0.000 0.988 861 G CA -0.438 44.634 45.100 -0.045 0.000 0.659 861 G HN 0.295 nan 8.290 nan 0.000 0.522 862 N N 0.952 119.642 118.700 -0.017 0.000 2.416 862 N HA 0.345 5.087 4.740 0.003 0.000 0.265 862 N C 0.775 176.247 175.510 -0.063 0.000 1.195 862 N CA 0.090 53.124 53.050 -0.025 0.000 0.943 862 N CB 1.474 39.955 38.487 -0.010 0.000 1.115 862 N HN 0.208 nan 8.380 nan 0.000 0.481 863 V N 3.593 123.435 119.914 -0.121 0.000 2.843 863 V HA 0.030 4.151 4.120 0.003 0.000 0.305 863 V C 1.664 177.597 176.094 -0.269 0.000 1.065 863 V CA 0.156 62.300 62.300 -0.260 0.000 1.116 863 V CB 0.630 32.135 31.823 -0.530 0.000 0.968 863 V HN 0.522 nan 8.190 nan 0.000 0.487 864 I N 1.362 121.783 120.570 -0.249 0.000 3.443 864 I HA 0.230 4.402 4.170 0.003 0.000 0.277 864 I C 0.625 176.626 176.117 -0.194 0.000 1.169 864 I CA 0.606 61.806 61.300 -0.166 0.000 1.419 864 I CB -0.249 37.706 38.000 -0.075 0.000 1.331 864 I HN 0.579 nan 8.210 nan 0.000 0.458 865 Q N -0.045 119.639 119.800 -0.195 0.000 2.394 865 Q HA 0.435 4.776 4.340 0.003 0.000 0.273 865 Q C -0.457 175.431 176.000 -0.187 0.000 1.089 865 Q CA -0.551 55.181 55.803 -0.118 0.000 0.812 865 Q CB 2.751 31.488 28.738 -0.003 0.000 1.353 865 Q HN 0.047 nan 8.270 nan 0.000 0.438 866 F N 0.521 120.504 119.950 0.055 0.000 2.754 866 F HA 0.262 4.791 4.527 0.003 0.000 0.297 866 F C 0.509 176.349 175.800 0.067 0.000 1.122 866 F CA 0.330 58.365 58.000 0.057 0.000 1.400 866 F CB 0.720 39.746 39.000 0.043 0.000 1.117 866 F HN 0.297 nan 8.300 nan 0.000 0.587 867 I N -1.216 119.484 120.570 0.216 0.000 2.534 867 I HA 0.124 4.295 4.170 0.003 0.000 0.286 867 I C -0.977 175.228 176.117 0.146 0.000 1.094 867 I CA -1.314 60.085 61.300 0.165 0.000 1.055 867 I CB 1.074 39.154 38.000 0.133 0.000 1.225 867 I HN -0.214 nan 8.210 nan 0.000 0.435 868 Y N 6.195 126.521 120.300 0.044 0.000 2.916 868 Y HA 0.153 4.705 4.550 0.003 0.000 0.344 868 Y C 1.460 177.387 175.900 0.044 0.000 1.282 868 Y CA 1.654 59.771 58.100 0.029 0.000 1.604 868 Y CB 0.263 38.727 38.460 0.008 0.000 1.207 868 Y HN 0.907 nan 8.280 nan 0.000 0.561 869 G N 4.116 112.597 108.800 -0.531 0.000 2.155 869 G HA2 -0.371 3.590 3.960 0.003 0.000 0.257 869 G HA3 -0.371 3.590 3.960 0.003 0.000 0.257 869 G C 0.428 175.283 174.900 -0.075 0.000 0.983 869 G CA 0.538 45.418 45.100 -0.367 0.000 0.676 869 G HN 0.955 nan 8.290 nan 0.000 0.528 870 E N -1.675 118.512 120.200 -0.022 0.000 3.801 870 E HA -0.267 4.085 4.350 0.003 0.000 0.319 870 E C 0.817 177.427 176.600 0.017 0.000 0.784 870 E CA 1.420 57.832 56.400 0.021 0.000 1.183 870 E CB -1.051 28.656 29.700 0.012 0.000 1.601 870 E HN 0.890 nan 8.360 nan 0.000 0.441 871 D N -1.603 118.809 120.400 0.019 0.000 2.480 871 D HA 0.134 4.776 4.640 0.003 0.000 0.276 871 D C 1.190 177.519 176.300 0.049 0.000 1.294 871 D CA 0.789 54.810 54.000 0.034 0.000 0.829 871 D CB -0.043 40.765 40.800 0.014 0.000 1.242 871 D HN 0.311 nan 8.370 nan 0.000 0.513 872 G N 0.715 109.563 108.800 0.080 0.000 2.205 872 G HA2 -0.300 3.662 3.960 0.003 0.000 0.261 872 G HA3 -0.300 3.662 3.960 0.003 0.000 0.261 872 G C 0.038 174.995 174.900 0.095 0.000 0.980 872 G CA 0.669 45.832 45.100 0.105 0.000 0.632 872 G HN 0.376 nan 8.290 nan 0.000 0.533 873 M N 1.174 120.821 119.600 0.078 0.000 2.367 873 M HA 0.590 5.072 4.480 0.003 0.000 0.339 873 M C -0.050 176.358 176.300 0.180 0.000 1.177 873 M CA -1.344 53.973 55.300 0.028 0.000 1.068 873 M CB 1.346 33.901 32.600 -0.076 0.000 1.602 873 M HN 0.181 nan 8.290 nan 0.000 0.457 874 D N 1.846 122.328 120.400 0.137 0.000 2.351 874 D HA 0.415 5.057 4.640 0.003 0.000 0.251 874 D C 0.668 177.093 176.300 0.209 0.000 1.137 874 D CA 0.252 54.372 54.000 0.201 0.000 0.879 874 D CB 1.218 42.134 40.800 0.194 0.000 1.181 874 D HN 0.685 nan 8.370 nan 0.000 0.448 875 A N 3.807 126.744 122.820 0.195 0.000 2.070 875 A HA -0.020 4.301 4.320 0.003 0.000 0.220 875 A C 2.095 179.730 177.584 0.086 0.000 1.159 875 A CA 1.680 53.797 52.037 0.134 0.000 0.656 875 A CB -0.738 18.340 19.000 0.130 0.000 0.800 875 A HN 0.675 nan 8.150 nan 0.000 0.453 876 A N -0.592 122.252 122.820 0.041 0.000 1.908 876 A HA -0.192 4.130 4.320 0.003 0.000 0.218 876 A C 1.723 179.203 177.584 -0.173 0.000 1.181 876 A CA 1.426 53.382 52.037 -0.136 0.000 0.627 876 A CB -0.807 18.012 19.000 -0.303 0.000 0.818 876 A HN 0.734 nan 8.150 nan 0.000 0.445 877 H N -1.395 117.689 119.070 0.023 0.000 2.519 877 H HA 0.373 4.931 4.556 0.003 0.000 0.289 877 H C -0.059 175.280 175.328 0.019 0.000 1.040 877 H CA -0.214 55.844 56.048 0.016 0.000 1.165 877 H CB -0.010 29.732 29.762 -0.034 0.000 1.462 877 H HN 0.356 nan 8.280 nan 0.000 0.555 878 I N 1.439 122.095 120.570 0.143 0.000 2.664 878 I HA 0.212 4.383 4.170 0.003 0.000 0.308 878 I C -0.035 176.175 176.117 0.156 0.000 0.984 878 I CA -0.313 61.063 61.300 0.127 0.000 1.213 878 I CB 1.776 39.853 38.000 0.127 0.000 1.379 878 I HN 0.128 nan 8.210 nan 0.000 0.501 879 E N 2.665 122.947 120.200 0.137 0.000 2.363 879 E HA 0.167 4.518 4.350 0.003 0.000 0.281 879 E C -1.301 175.362 176.600 0.105 0.000 0.953 879 E CA -1.004 55.460 56.400 0.108 0.000 0.778 879 E CB 2.466 32.163 29.700 -0.005 0.000 1.220 879 E HN 0.378 nan 8.360 nan 0.000 0.431 880 K N 2.572 123.029 120.400 0.096 0.000 2.504 880 K HA -0.085 4.237 4.320 0.003 0.000 0.278 880 K C -0.859 175.763 176.600 0.037 0.000 1.025 880 K CA 1.081 57.402 56.287 0.056 0.000 1.093 880 K CB 0.326 32.842 32.500 0.026 0.000 0.873 880 K HN 0.397 nan 8.250 nan 0.000 0.483 881 Q N 3.031 122.861 119.800 0.050 0.000 2.280 881 Q HA 0.114 4.456 4.340 0.003 0.000 0.259 881 Q C -1.142 174.884 176.000 0.044 0.000 0.964 881 Q CA -0.757 55.076 55.803 0.049 0.000 0.844 881 Q CB 1.926 30.710 28.738 0.076 0.000 1.334 881 Q HN 0.790 nan 8.270 nan 0.000 0.423 882 S N 2.841 118.559 115.700 0.030 0.000 2.562 882 S HA 0.307 4.778 4.470 0.003 0.000 0.281 882 S C -0.033 174.588 174.600 0.034 0.000 1.333 882 S CA -0.391 57.825 58.200 0.026 0.000 1.052 882 S CB 0.303 63.517 63.200 0.025 0.000 0.884 882 S HN 0.589 nan 8.310 nan 0.000 0.506 883 L N 3.478 124.715 121.223 0.024 0.000 2.407 883 L HA 0.296 4.638 4.340 0.003 0.000 0.261 883 L C -0.202 176.687 176.870 0.032 0.000 1.108 883 L CA -0.654 54.188 54.840 0.003 0.000 0.995 883 L CB 0.233 42.254 42.059 -0.062 0.000 1.349 883 L HN 0.735 nan 8.230 nan 0.000 0.423 884 D N -1.247 119.197 120.400 0.073 0.000 2.494 884 D HA -0.034 4.608 4.640 0.003 0.000 0.249 884 D C 1.183 177.571 176.300 0.146 0.000 1.223 884 D CA -0.043 54.030 54.000 0.121 0.000 0.865 884 D CB -0.102 40.787 40.800 0.148 0.000 0.974 884 D HN 0.305 nan 8.370 nan 0.000 0.491 885 T N -0.585 114.013 114.554 0.073 0.000 2.953 885 T HA 0.056 4.408 4.350 0.003 0.000 0.247 885 T C 1.967 176.726 174.700 0.099 0.000 1.029 885 T CA -0.095 62.046 62.100 0.068 0.000 1.144 885 T CB 0.224 69.082 68.868 -0.015 0.000 0.870 885 T HN 0.120 nan 8.240 nan 0.000 0.446 886 I N 1.873 122.486 120.570 0.071 0.000 2.099 886 I HA -0.045 4.127 4.170 0.003 0.000 0.239 886 I C 1.873 178.105 176.117 0.190 0.000 1.066 886 I CA 1.152 62.514 61.300 0.104 0.000 1.324 886 I CB -1.457 36.572 38.000 0.049 0.000 1.037 886 I HN 0.266 nan 8.210 nan 0.000 0.401 887 G N -0.682 108.212 108.800 0.158 0.000 2.621 887 G HA2 0.449 4.411 3.960 0.003 0.000 0.271 887 G HA3 0.449 4.411 3.960 0.003 0.000 0.271 887 G C 0.050 175.072 174.900 0.203 0.000 1.236 887 G CA 0.461 45.685 45.100 0.207 0.000 0.958 887 G HN 0.705 nan 8.290 nan 0.000 0.512 888 G N -1.557 107.356 108.800 0.188 0.000 2.662 888 G HA2 0.211 4.172 3.960 0.003 0.000 0.686 888 G HA3 0.211 4.172 3.960 0.003 0.000 0.686 888 G C -0.055 174.924 174.900 0.130 0.000 1.271 888 G CA -0.156 45.041 45.100 0.161 0.000 0.816 888 G HN 1.338 nan 8.290 nan 0.000 0.608 889 S N 0.551 116.323 115.700 0.120 0.000 2.572 889 S HA 0.267 4.739 4.470 0.003 0.000 0.279 889 S C 1.313 175.981 174.600 0.113 0.000 1.341 889 S CA 0.071 58.324 58.200 0.089 0.000 1.043 889 S CB 1.278 64.528 63.200 0.083 0.000 0.887 889 S HN 0.592 nan 8.310 nan 0.000 0.516 890 D N 2.146 122.572 120.400 0.044 0.000 2.116 890 D HA -0.193 4.448 4.640 0.003 0.000 0.193 890 D C 2.085 178.471 176.300 0.143 0.000 0.998 890 D CA 1.738 55.757 54.000 0.031 0.000 0.836 890 D CB -0.350 40.442 40.800 -0.015 0.000 0.951 890 D HN 0.615 nan 8.370 nan 0.000 0.449 891 A N 1.600 124.491 122.820 0.118 0.000 1.829 891 A HA -0.110 4.212 4.320 0.003 0.000 0.216 891 A C 2.402 180.098 177.584 0.186 0.000 1.207 891 A CA 2.726 54.844 52.037 0.136 0.000 0.622 891 A CB -1.184 17.869 19.000 0.089 0.000 0.846 891 A HN 0.248 nan 8.150 nan 0.000 0.447 892 A N -1.806 121.109 122.820 0.158 0.000 2.148 892 A HA -0.124 4.198 4.320 0.003 0.000 0.222 892 A C 1.959 179.678 177.584 0.225 0.000 1.161 892 A CA 1.797 53.927 52.037 0.155 0.000 0.662 892 A CB -0.787 18.283 19.000 0.117 0.000 0.799 892 A HN 0.791 nan 8.150 nan 0.000 0.466 893 F N 0.337 120.372 119.950 0.142 0.000 2.128 893 F HA -0.075 4.454 4.527 0.003 0.000 0.295 893 F C 2.170 178.145 175.800 0.292 0.000 1.100 893 F CA 1.950 60.077 58.000 0.211 0.000 1.260 893 F CB -0.203 38.860 39.000 0.105 0.000 1.009 893 F HN 0.374 nan 8.300 nan 0.000 0.476 894 E N 0.598 121.093 120.200 0.493 0.000 2.051 894 E HA -0.272 4.079 4.350 0.003 0.000 0.192 894 E C 1.980 178.702 176.600 0.204 0.000 0.991 894 E CA 1.480 58.109 56.400 0.381 0.000 0.799 894 E CB -0.202 29.682 29.700 0.307 0.000 0.748 894 E HN 0.277 nan 8.360 nan 0.000 0.449 895 K N -0.273 120.230 120.400 0.170 0.000 2.589 895 K HA -0.073 4.249 4.320 0.003 0.000 0.195 895 K C 1.915 178.525 176.600 0.016 0.000 1.040 895 K CA 0.624 56.972 56.287 0.101 0.000 0.950 895 K CB 0.145 32.695 32.500 0.083 0.000 0.781 895 K HN 0.001 nan 8.250 nan 0.000 0.486 896 R N -1.820 118.673 120.500 -0.012 0.000 2.243 896 R HA 0.100 4.441 4.340 0.003 0.000 0.193 896 R C 0.898 176.976 176.300 -0.370 0.000 0.933 896 R CA 0.728 56.706 56.100 -0.203 0.000 1.105 896 R CB 0.396 30.582 30.300 -0.190 0.000 1.169 896 R HN 0.183 nan 8.270 nan 0.000 0.599 897 Y N -0.211 119.965 120.300 -0.207 0.000 2.535 897 Y HA 0.266 4.817 4.550 0.003 0.000 0.264 897 Y C 0.574 176.505 175.900 0.051 0.000 1.087 897 Y CA -0.341 57.656 58.100 -0.171 0.000 1.285 897 Y CB 0.324 38.508 38.460 -0.460 0.000 1.200 897 Y HN -0.222 nan 8.280 nan 0.000 0.514 898 R N 1.754 122.399 120.500 0.242 0.000 2.351 898 R HA 0.269 4.611 4.340 0.003 0.000 0.318 898 R C -1.380 174.921 176.300 0.003 0.000 1.055 898 R CA 0.008 56.126 56.100 0.030 0.000 0.968 898 R CB -0.154 30.030 30.300 -0.192 0.000 0.974 898 R HN -0.082 nan 8.270 nan 0.000 0.439 899 V N 5.395 125.303 119.914 -0.010 0.000 2.347 899 V HA 0.245 4.366 4.120 0.003 0.000 0.280 899 V C -0.553 175.515 176.094 -0.044 0.000 1.021 899 V CA -0.641 61.649 62.300 -0.016 0.000 0.847 899 V CB 1.445 33.261 31.823 -0.011 0.000 0.990 899 V HN 0.688 nan 8.190 nan 0.000 0.444 900 D N 4.033 124.416 120.400 -0.029 0.000 2.440 900 D HA 0.443 5.085 4.640 0.003 0.000 0.239 900 D C 0.785 177.078 176.300 -0.011 0.000 1.084 900 D CA -0.346 53.629 54.000 -0.040 0.000 0.843 900 D CB 1.724 42.485 40.800 -0.065 0.000 1.097 900 D HN 0.309 nan 8.370 nan 0.000 0.531 901 L N 2.793 124.005 121.223 -0.019 0.000 1.961 901 L HA -0.012 4.330 4.340 0.003 0.000 0.209 901 L C 0.878 177.741 176.870 -0.010 0.000 1.075 901 L CA 0.560 55.391 54.840 -0.015 0.000 0.749 901 L CB -0.994 41.054 42.059 -0.019 0.000 0.890 901 L HN 0.347 nan 8.230 nan 0.000 0.433 902 L N 1.105 122.319 121.223 -0.014 0.000 2.593 902 L HA 0.080 4.421 4.340 0.003 0.000 0.287 902 L C 0.153 177.019 176.870 -0.006 0.000 1.243 902 L CA 0.096 54.929 54.840 -0.013 0.000 0.890 902 L CB -0.593 41.455 42.059 -0.018 0.000 1.134 902 L HN 0.386 nan 8.230 nan 0.000 0.502 903 N N 0.941 119.643 118.700 0.004 0.000 2.933 903 N HA -0.145 4.597 4.740 0.003 0.000 0.269 903 N C 0.546 176.078 175.510 0.037 0.000 1.154 903 N CA 0.801 53.866 53.050 0.025 0.000 0.662 903 N CB -0.675 37.831 38.487 0.031 0.000 1.049 903 N HN 0.892 nan 8.380 nan 0.000 0.549 904 T N 1.140 115.704 114.554 0.018 0.000 2.592 904 T HA -0.206 4.146 4.350 0.003 0.000 0.267 904 T C 0.925 175.624 174.700 -0.002 0.000 1.060 904 T CA 1.997 64.099 62.100 0.003 0.000 1.167 904 T CB -0.308 68.557 68.868 -0.005 0.000 0.863 904 T HN 0.552 nan 8.240 nan 0.000 0.431 905 D N 0.128 120.528 120.400 -0.000 0.000 2.311 905 D HA -0.077 4.564 4.640 0.003 0.000 0.212 905 D C 1.272 177.468 176.300 -0.173 0.000 0.972 905 D CA 0.952 54.913 54.000 -0.066 0.000 0.887 905 D CB -0.179 40.591 40.800 -0.051 0.000 0.915 905 D HN 0.547 nan 8.370 nan 0.000 0.497 906 H N -0.781 118.267 119.070 -0.035 0.000 2.475 906 H HA 0.244 4.802 4.556 0.003 0.000 0.276 906 H C -0.021 175.277 175.328 -0.049 0.000 1.126 906 H CA 0.040 56.062 56.048 -0.044 0.000 1.023 906 H CB 0.421 30.152 29.762 -0.050 0.000 1.669 906 H HN -0.019 nan 8.280 nan 0.000 0.573 907 T N 0.923 115.490 114.554 0.022 0.000 2.927 907 T HA 0.320 4.671 4.350 0.003 0.000 0.281 907 T C 0.728 175.412 174.700 -0.027 0.000 0.998 907 T CA -0.821 61.278 62.100 -0.002 0.000 1.019 907 T CB 1.728 70.590 68.868 -0.011 0.000 1.061 907 T HN 0.104 nan 8.240 nan 0.000 0.518 908 L N 2.181 123.385 121.223 -0.032 0.000 2.597 908 L HA 0.129 4.471 4.340 0.003 0.000 0.271 908 L C 0.661 177.506 176.870 -0.042 0.000 1.157 908 L CA -0.343 54.470 54.840 -0.044 0.000 0.928 908 L CB -0.587 41.444 42.059 -0.047 0.000 1.216 908 L HN 0.620 nan 8.230 nan 0.000 0.481 909 D N 5.613 125.985 120.400 -0.046 0.000 2.583 909 D HA -0.019 4.622 4.640 0.003 0.000 0.232 909 D C -1.479 174.799 176.300 -0.037 0.000 1.128 909 D CA -0.841 53.134 54.000 -0.041 0.000 0.859 909 D CB 0.987 41.762 40.800 -0.042 0.000 1.169 909 D HN 0.282 nan 8.370 nan 0.000 0.481 910 P HA -0.116 nan 4.420 nan 0.000 0.234 910 P C 1.018 178.301 177.300 -0.029 0.000 1.162 910 P CA 0.561 63.643 63.100 -0.030 0.000 0.759 910 P CB 0.113 31.798 31.700 -0.025 0.000 0.813 911 S N -0.621 115.062 115.700 -0.028 0.000 2.383 911 S HA -0.111 4.360 4.470 0.003 0.000 0.227 911 S C 1.742 176.323 174.600 -0.030 0.000 1.026 911 S CA 0.925 59.109 58.200 -0.026 0.000 0.981 911 S CB -1.016 62.170 63.200 -0.022 0.000 0.818 911 S HN 0.048 nan 8.310 nan 0.000 0.472 912 L N 0.338 121.539 121.223 -0.037 0.000 1.988 912 L HA 0.144 4.486 4.340 0.003 0.000 0.207 912 L C 1.363 178.203 176.870 -0.050 0.000 1.071 912 L CA 0.470 55.282 54.840 -0.046 0.000 0.744 912 L CB -0.581 41.445 42.059 -0.055 0.000 0.893 912 L HN 0.334 nan 8.230 nan 0.000 0.433 913 L N -0.019 121.175 121.223 -0.049 0.000 2.358 913 L HA 0.168 4.510 4.340 0.003 0.000 0.268 913 L C 1.140 177.985 176.870 -0.043 0.000 1.032 913 L CA 0.348 55.157 54.840 -0.052 0.000 0.805 913 L CB 1.354 43.380 42.059 -0.055 0.000 1.253 913 L HN 0.051 nan 8.230 nan 0.000 0.452 914 E N 0.125 120.299 120.200 -0.043 0.000 2.072 914 E HA -0.082 4.270 4.350 0.003 0.000 0.191 914 E C 1.049 177.629 176.600 -0.033 0.000 0.985 914 E CA 1.179 57.558 56.400 -0.035 0.000 0.801 914 E CB 0.280 29.959 29.700 -0.035 0.000 0.750 914 E HN 0.688 nan 8.360 nan 0.000 0.452 915 S N 0.435 116.112 115.700 -0.037 0.000 2.942 915 S HA 0.092 4.564 4.470 0.003 0.000 0.244 915 S C 1.156 175.736 174.600 -0.033 0.000 1.011 915 S CA 0.110 58.290 58.200 -0.034 0.000 1.102 915 S CB 0.248 63.425 63.200 -0.038 0.000 0.812 915 S HN 0.396 nan 8.310 nan 0.000 0.486 916 G N 3.044 111.825 108.800 -0.032 0.000 2.604 916 G HA2 -0.216 3.746 3.960 0.003 0.000 0.216 916 G HA3 -0.216 3.746 3.960 0.003 0.000 0.216 916 G C 1.371 176.255 174.900 -0.027 0.000 1.265 916 G CA 1.091 46.172 45.100 -0.031 0.000 0.804 916 G HN 0.700 nan 8.290 nan 0.000 0.579 917 S N 0.498 116.184 115.700 -0.023 0.000 2.634 917 S HA 0.168 4.640 4.470 0.003 0.000 0.221 917 S C 1.498 176.087 174.600 -0.019 0.000 0.952 917 S CA 0.984 59.172 58.200 -0.020 0.000 0.930 917 S CB 0.508 63.697 63.200 -0.018 0.000 0.780 917 S HN 0.635 nan 8.310 nan 0.000 0.498 918 E N 0.666 120.854 120.200 -0.020 0.000 2.415 918 E HA 0.174 4.526 4.350 0.003 0.000 0.197 918 E C 1.422 178.010 176.600 -0.020 0.000 1.007 918 E CA 0.223 56.611 56.400 -0.019 0.000 0.890 918 E CB -0.142 29.547 29.700 -0.020 0.000 0.891 918 E HN 0.435 nan 8.360 nan 0.000 0.496 919 I N 0.930 121.487 120.570 -0.022 0.000 3.081 919 I HA 0.171 4.343 4.170 0.003 0.000 0.274 919 I C 1.135 177.240 176.117 -0.020 0.000 1.178 919 I CA -0.066 61.220 61.300 -0.022 0.000 1.460 919 I CB -0.759 37.224 38.000 -0.027 0.000 1.137 919 I HN 0.259 nan 8.210 nan 0.000 0.443 920 L N 1.183 122.395 121.223 -0.019 0.000 2.573 920 L HA 0.197 4.538 4.340 0.003 0.000 0.290 920 L C 1.308 178.169 176.870 -0.014 0.000 1.247 920 L CA 1.226 56.056 54.840 -0.016 0.000 0.876 920 L CB -0.084 41.966 42.059 -0.015 0.000 1.123 920 L HN 0.572 nan 8.230 nan 0.000 0.505 921 G N 3.181 111.973 108.800 -0.013 0.000 2.527 921 G HA2 -0.287 3.674 3.960 0.003 0.000 0.262 921 G HA3 -0.287 3.674 3.960 0.003 0.000 0.262 921 G C -0.208 174.684 174.900 -0.014 0.000 1.153 921 G CA 0.061 45.154 45.100 -0.013 0.000 0.954 921 G HN 1.087 nan 8.290 nan 0.000 0.552 922 D N -1.709 118.683 120.400 -0.013 0.000 10.944 922 D HA -0.102 4.540 4.640 0.003 0.000 0.358 922 D C 0.775 177.068 176.300 -0.012 0.000 3.120 922 D CA 1.455 55.447 54.000 -0.013 0.000 2.629 922 D CB -0.791 40.000 40.800 -0.015 0.000 1.169 922 D HN 1.074 nan 8.370 nan 0.000 0.937 923 L N 1.209 122.426 121.223 -0.011 0.000 3.679 923 L HA 0.141 4.483 4.340 0.003 0.000 0.342 923 L C 2.034 178.900 176.870 -0.008 0.000 1.170 923 L CA -0.303 54.531 54.840 -0.010 0.000 1.221 923 L CB 0.177 42.230 42.059 -0.009 0.000 1.654 923 L HN 0.205 nan 8.230 nan 0.000 0.628 924 K N 0.553 120.948 120.400 -0.008 0.000 2.137 924 K HA 0.138 4.459 4.320 0.003 0.000 0.202 924 K C 1.731 178.327 176.600 -0.007 0.000 1.052 924 K CA 0.982 57.265 56.287 -0.007 0.000 0.961 924 K CB 0.291 32.787 32.500 -0.008 0.000 0.741 924 K HN 0.178 nan 8.250 nan 0.000 0.452 925 L N 0.551 121.768 121.223 -0.010 0.000 2.509 925 L HA 0.001 4.343 4.340 0.003 0.000 0.222 925 L C 2.030 178.895 176.870 -0.009 0.000 1.123 925 L CA 0.319 55.152 54.840 -0.011 0.000 0.856 925 L CB 0.061 42.110 42.059 -0.017 0.000 0.985 925 L HN 0.134 nan 8.230 nan 0.000 0.456 926 Q N -0.354 119.440 119.800 -0.010 0.000 2.398 926 Q HA 0.009 4.351 4.340 0.003 0.000 0.204 926 Q C 2.208 178.206 176.000 -0.003 0.000 0.932 926 Q CA 0.642 56.438 55.803 -0.010 0.000 0.916 926 Q CB 0.375 29.103 28.738 -0.016 0.000 1.024 926 Q HN 0.306 nan 8.270 nan 0.000 0.504 927 V N 0.540 120.453 119.914 -0.001 0.000 2.379 927 V HA -0.205 3.917 4.120 0.003 0.000 0.245 927 V C 2.261 178.363 176.094 0.012 0.000 1.044 927 V CA 1.236 63.539 62.300 0.005 0.000 1.036 927 V CB -0.346 31.479 31.823 0.003 0.000 0.664 927 V HN 0.272 nan 8.190 nan 0.000 0.453 928 L N -1.022 120.207 121.223 0.009 0.000 2.072 928 L HA -0.088 4.254 4.340 0.003 0.000 0.205 928 L C 2.388 179.274 176.870 0.027 0.000 1.079 928 L CA 1.048 55.897 54.840 0.015 0.000 0.752 928 L CB -0.347 41.715 42.059 0.006 0.000 0.906 928 L HN 0.279 nan 8.230 nan 0.000 0.436 929 L N -0.295 120.942 121.223 0.023 0.000 2.127 929 L HA -0.243 4.099 4.340 0.003 0.000 0.211 929 L C 2.154 179.070 176.870 0.077 0.000 1.089 929 L CA 1.601 56.465 54.840 0.040 0.000 0.757 929 L CB -0.936 41.132 42.059 0.014 0.000 0.899 929 L HN 0.370 nan 8.230 nan 0.000 0.434 930 D N -0.243 120.192 120.400 0.058 0.000 2.091 930 D HA -0.201 4.441 4.640 0.003 0.000 0.199 930 D C 1.951 178.313 176.300 0.103 0.000 0.980 930 D CA 0.904 54.957 54.000 0.088 0.000 0.831 930 D CB -0.024 40.803 40.800 0.046 0.000 0.987 930 D HN 0.190 nan 8.370 nan 0.000 0.460 931 E N 1.060 121.297 120.200 0.062 0.000 2.208 931 E HA -0.241 4.110 4.350 0.003 0.000 0.202 931 E C 1.793 178.427 176.600 0.056 0.000 1.014 931 E CA 1.375 57.804 56.400 0.048 0.000 0.819 931 E CB 0.016 29.734 29.700 0.030 0.000 0.735 931 E HN 0.374 nan 8.360 nan 0.000 0.469 932 E N -1.498 118.749 120.200 0.078 0.000 2.042 932 E HA -0.151 4.200 4.350 0.003 0.000 0.189 932 E C 1.875 178.545 176.600 0.117 0.000 0.974 932 E CA 0.604 57.054 56.400 0.083 0.000 0.806 932 E CB -0.331 29.422 29.700 0.089 0.000 0.769 932 E HN 0.436 nan 8.360 nan 0.000 0.451 933 Y N 1.673 121.997 120.300 0.040 0.000 2.333 933 Y HA -0.153 4.399 4.550 0.003 0.000 0.290 933 Y C 2.269 178.206 175.900 0.061 0.000 1.144 933 Y CA 1.739 59.877 58.100 0.064 0.000 1.228 933 Y CB 0.123 38.623 38.460 0.066 0.000 0.985 933 Y HN -0.062 nan 8.280 nan 0.000 0.542 934 K N -0.375 120.111 120.400 0.143 0.000 2.057 934 K HA -0.248 4.074 4.320 0.003 0.000 0.206 934 K C 2.157 178.747 176.600 -0.018 0.000 1.050 934 K CA 1.572 57.897 56.287 0.062 0.000 0.935 934 K CB -0.105 32.438 32.500 0.071 0.000 0.715 934 K HN 0.223 nan 8.250 nan 0.000 0.439 935 Q N 0.704 120.496 119.800 -0.014 0.000 2.230 935 Q HA -0.013 4.329 4.340 0.003 0.000 0.202 935 Q C 1.651 177.606 176.000 -0.074 0.000 0.963 935 Q CA 1.087 56.867 55.803 -0.038 0.000 0.866 935 Q CB 0.052 28.776 28.738 -0.024 0.000 0.931 935 Q HN 0.322 nan 8.270 nan 0.000 0.452 936 L N -0.808 120.355 121.223 -0.100 0.000 2.291 936 L HA -0.053 4.288 4.340 0.003 0.000 0.214 936 L C 1.832 178.609 176.870 -0.156 0.000 1.120 936 L CA 0.592 55.351 54.840 -0.136 0.000 0.799 936 L CB -0.254 41.702 42.059 -0.170 0.000 0.925 936 L HN 0.149 nan 8.230 nan 0.000 0.446 937 V N -0.620 119.167 119.914 -0.211 0.000 2.500 937 V HA -0.128 3.994 4.120 0.003 0.000 0.243 937 V C 2.361 178.374 176.094 -0.134 0.000 1.039 937 V CA 0.923 63.083 62.300 -0.233 0.000 1.053 937 V CB -0.301 31.374 31.823 -0.246 0.000 0.695 937 V HN 0.330 nan 8.190 nan 0.000 0.463 938 K N 0.183 120.536 120.400 -0.079 0.000 2.173 938 K HA -0.260 4.062 4.320 0.003 0.000 0.207 938 K C 1.724 178.329 176.600 0.009 0.000 1.046 938 K CA 1.902 58.176 56.287 -0.023 0.000 0.929 938 K CB -0.212 32.279 32.500 -0.015 0.000 0.720 938 K HN 0.502 nan 8.250 nan 0.000 0.453 939 D N -0.215 120.157 120.400 -0.046 0.000 2.110 939 D HA -0.089 4.552 4.640 0.003 0.000 0.202 939 D C 1.852 178.152 176.300 -0.001 0.000 0.975 939 D CA 0.685 54.664 54.000 -0.036 0.000 0.839 939 D CB -0.186 40.553 40.800 -0.102 0.000 0.996 939 D HN 0.080 nan 8.370 nan 0.000 0.464 940 R N 0.883 121.329 120.500 -0.089 0.000 2.139 940 R HA -0.143 4.199 4.340 0.003 0.000 0.243 940 R C 1.943 178.200 176.300 -0.071 0.000 1.145 940 R CA 1.225 57.247 56.100 -0.130 0.000 0.976 940 R CB 0.087 30.161 30.300 -0.376 0.000 0.866 940 R HN 0.074 nan 8.270 nan 0.000 0.449 941 K N -0.784 119.586 120.400 -0.050 0.000 2.242 941 K HA -0.061 4.260 4.320 0.003 0.000 0.200 941 K C 1.835 178.468 176.600 0.054 0.000 1.050 941 K CA 0.343 56.621 56.287 -0.014 0.000 0.981 941 K CB -0.093 32.379 32.500 -0.047 0.000 0.795 941 K HN 0.095 nan 8.250 nan 0.000 0.477 942 F N 1.779 121.699 119.950 -0.050 0.000 2.202 942 F HA -0.236 4.293 4.527 0.003 0.000 0.301 942 F C 1.459 177.259 175.800 0.001 0.000 1.082 942 F CA 1.157 59.140 58.000 -0.029 0.000 1.313 942 F CB 0.121 39.101 39.000 -0.033 0.000 1.024 942 F HN -0.040 nan 8.300 nan 0.000 0.495 943 L N 0.061 121.511 121.223 0.379 0.000 1.993 943 L HA -0.158 4.183 4.340 0.003 0.000 0.206 943 L C 2.615 179.596 176.870 0.185 0.000 1.074 943 L CA 1.382 56.403 54.840 0.301 0.000 0.746 943 L CB -0.876 41.272 42.059 0.148 0.000 0.896 943 L HN -0.053 nan 8.230 nan 0.000 0.435 944 R N 0.075 120.653 120.500 0.130 0.000 2.185 944 R HA -0.258 4.084 4.340 0.003 0.000 0.247 944 R C 2.127 178.457 176.300 0.049 0.000 1.159 944 R CA 1.657 57.837 56.100 0.134 0.000 0.988 944 R CB -0.326 30.052 30.300 0.130 0.000 0.871 944 R HN 0.431 nan 8.270 nan 0.000 0.458 945 E N 0.081 120.259 120.200 -0.037 0.000 2.106 945 E HA -0.143 4.209 4.350 0.003 0.000 0.192 945 E C 1.643 178.124 176.600 -0.199 0.000 0.984 945 E CA 1.132 57.447 56.400 -0.141 0.000 0.806 945 E CB 0.303 29.856 29.700 -0.244 0.000 0.750 945 E HN 0.112 nan 8.360 nan 0.000 0.458 946 V N -0.256 119.535 119.914 -0.205 0.000 2.403 946 V HA -0.055 4.067 4.120 0.003 0.000 0.239 946 V C 0.633 176.479 176.094 -0.412 0.000 1.041 946 V CA 0.896 62.995 62.300 -0.336 0.000 1.051 946 V CB -0.186 31.439 31.823 -0.331 0.000 0.704 946 V HN 0.167 nan 8.190 nan 0.000 0.472 947 F N 1.523 121.357 119.950 -0.193 0.000 2.660 947 F HA 0.255 4.784 4.527 0.003 0.000 0.342 947 F C 1.519 177.280 175.800 -0.065 0.000 1.195 947 F CA -0.596 57.304 58.000 -0.166 0.000 1.300 947 F CB -0.741 38.139 39.000 -0.200 0.000 1.616 947 F HN -0.021 nan 8.300 nan 0.000 0.592 948 V N -1.738 118.181 119.914 0.009 0.000 2.613 948 V HA -0.320 3.802 4.120 0.003 0.000 0.259 948 V C 1.629 177.774 176.094 0.084 0.000 1.099 948 V CA 2.105 64.430 62.300 0.043 0.000 1.115 948 V CB -0.657 31.155 31.823 -0.018 0.000 0.686 948 V HN 0.534 nan 8.190 nan 0.000 0.481 949 D N 0.387 120.818 120.400 0.051 0.000 2.349 949 D HA 0.194 4.836 4.640 0.003 0.000 0.215 949 D C 1.756 177.942 176.300 -0.190 0.000 1.016 949 D CA 0.880 54.885 54.000 0.008 0.000 0.870 949 D CB 0.194 41.023 40.800 0.048 0.000 0.917 949 D HN 0.855 nan 8.370 nan 0.000 0.524 950 G N 0.894 109.490 108.800 -0.339 0.000 2.159 950 G HA2 -0.308 3.654 3.960 0.003 0.000 0.256 950 G HA3 -0.308 3.654 3.960 0.003 0.000 0.256 950 G C 0.020 174.721 174.900 -0.333 0.000 0.977 950 G CA 0.169 44.727 45.100 -0.904 0.000 0.652 950 G HN 0.443 nan 8.290 nan 0.000 0.531 951 E N 0.649 120.853 120.200 0.006 0.000 2.166 951 E HA 0.695 5.047 4.350 0.003 0.000 0.279 951 E C 1.202 177.984 176.600 0.303 0.000 1.095 951 E CA 0.687 57.190 56.400 0.172 0.000 0.888 951 E CB 0.625 30.515 29.700 0.318 0.000 1.041 951 E HN 0.575 nan 8.360 nan 0.000 0.414 952 A N 4.932 127.814 122.820 0.103 0.000 2.044 952 A HA 0.048 4.369 4.320 0.003 0.000 0.213 952 A C 0.311 177.969 177.584 0.122 0.000 1.169 952 A CA -0.044 52.040 52.037 0.079 0.000 0.724 952 A CB -0.013 18.998 19.000 0.019 0.000 0.840 952 A HN 0.549 nan 8.150 nan 0.000 0.463 953 N N 0.367 119.038 118.700 -0.048 0.000 2.415 953 N HA 0.307 5.048 4.740 0.003 0.000 0.250 953 N C -1.489 173.750 175.510 -0.451 0.000 1.127 953 N CA 0.349 53.293 53.050 -0.176 0.000 0.945 953 N CB 0.042 38.397 38.487 -0.220 0.000 1.196 953 N HN 0.487 nan 8.380 nan 0.000 0.499 954 W N 1.928 123.189 121.300 -0.065 0.000 3.033 954 W HA 0.380 5.042 4.660 0.003 0.000 0.336 954 W C -2.081 174.462 176.519 0.038 0.000 1.173 954 W CA -1.826 55.504 57.345 -0.024 0.000 1.185 954 W CB 1.240 30.635 29.460 -0.108 0.000 1.425 954 W HN 0.251 nan 8.180 nan 0.000 0.536 955 P HA 0.222 nan 4.420 nan 0.000 0.267 955 P C -0.960 176.486 177.300 0.244 0.000 1.209 955 P CA 0.571 63.833 63.100 0.270 0.000 0.763 955 P CB 0.812 32.706 31.700 0.323 0.000 0.816 956 L N 5.408 126.750 121.223 0.198 0.000 2.549 956 L HA 0.390 4.732 4.340 0.003 0.000 0.259 956 L C -2.518 174.447 176.870 0.158 0.000 0.934 956 L CA -2.461 52.504 54.840 0.210 0.000 0.865 956 L CB 2.919 45.152 42.059 0.290 0.000 1.352 956 L HN 0.116 nan 8.230 nan 0.000 0.410 957 P HA 0.086 nan 4.420 nan 0.000 0.270 957 P C -0.772 176.506 177.300 -0.036 0.000 1.227 957 P CA -0.025 62.992 63.100 -0.138 0.000 0.788 957 P CB 0.377 31.761 31.700 -0.527 0.000 0.926 958 V N -0.723 119.166 119.914 -0.040 0.000 4.511 958 V HA -0.225 3.896 4.120 0.003 0.000 0.437 958 V C 0.598 176.785 176.094 0.153 0.000 0.684 958 V CA 0.184 62.523 62.300 0.064 0.000 1.739 958 V CB -1.738 30.150 31.823 0.107 0.000 2.089 958 V HN 0.823 nan 8.190 nan 0.000 0.487 959 N N 4.514 123.264 118.700 0.083 0.000 2.406 959 N HA 0.167 4.909 4.740 0.003 0.000 0.274 959 N C 0.987 176.531 175.510 0.058 0.000 1.249 959 N CA 0.329 53.419 53.050 0.066 0.000 0.951 959 N CB 0.639 39.132 38.487 0.010 0.000 1.241 959 N HN 0.719 nan 8.380 nan 0.000 0.485 960 I N 3.145 123.763 120.570 0.080 0.000 2.142 960 I HA -0.275 3.897 4.170 0.003 0.000 0.240 960 I C 2.476 178.582 176.117 -0.019 0.000 1.078 960 I CA 0.940 62.261 61.300 0.034 0.000 1.343 960 I CB -0.115 37.901 38.000 0.028 0.000 1.046 960 I HN 0.560 nan 8.210 nan 0.000 0.405 961 R N 0.639 121.132 120.500 -0.011 0.000 2.139 961 R HA -0.194 4.148 4.340 0.003 0.000 0.243 961 R C 2.339 178.607 176.300 -0.053 0.000 1.145 961 R CA 1.565 57.641 56.100 -0.039 0.000 0.976 961 R CB -0.092 30.209 30.300 0.001 0.000 0.866 961 R HN 0.307 nan 8.270 nan 0.000 0.449 962 R N -0.377 120.107 120.500 -0.027 0.000 2.200 962 R HA 0.057 4.399 4.340 0.003 0.000 0.208 962 R C 2.127 178.422 176.300 -0.009 0.000 1.033 962 R CA 0.647 56.735 56.100 -0.021 0.000 1.000 962 R CB 0.059 30.359 30.300 0.001 0.000 0.906 962 R HN 0.300 nan 8.270 nan 0.000 0.462 963 I N 0.565 121.125 120.570 -0.016 0.000 2.315 963 I HA -0.251 3.921 4.170 0.003 0.000 0.248 963 I C 2.015 178.165 176.117 0.054 0.000 1.117 963 I CA 0.852 62.148 61.300 -0.007 0.000 1.404 963 I CB -0.127 37.815 38.000 -0.096 0.000 1.071 963 I HN 0.101 nan 8.210 nan 0.000 0.419 964 I N 0.921 121.453 120.570 -0.063 0.000 2.142 964 I HA -0.301 3.870 4.170 0.003 0.000 0.240 964 I C 2.613 178.669 176.117 -0.102 0.000 1.078 964 I CA 1.766 62.972 61.300 -0.157 0.000 1.343 964 I CB -1.250 36.477 38.000 -0.455 0.000 1.046 964 I HN 0.357 nan 8.210 nan 0.000 0.405 965 Q N 0.262 119.980 119.800 -0.136 0.000 2.077 965 Q HA -0.202 4.140 4.340 0.003 0.000 0.206 965 Q C 1.621 177.459 176.000 -0.270 0.000 0.989 965 Q CA 1.436 57.097 55.803 -0.238 0.000 0.853 965 Q CB -0.348 28.201 28.738 -0.315 0.000 0.907 965 Q HN 0.566 nan 8.270 nan 0.000 0.418 966 N N -0.622 118.017 118.700 -0.100 0.000 2.567 966 N HA 0.024 4.766 4.740 0.003 0.000 0.195 966 N C 0.661 176.234 175.510 0.105 0.000 1.242 966 N CA 0.313 53.382 53.050 0.031 0.000 0.884 966 N CB 0.313 38.919 38.487 0.198 0.000 1.007 966 N HN 0.209 nan 8.380 nan 0.000 0.450 967 A N 0.810 123.705 122.820 0.125 0.000 1.988 967 A HA -0.040 4.281 4.320 0.003 0.000 0.201 967 A C 1.736 179.378 177.584 0.096 0.000 1.410 967 A CA -0.090 52.037 52.037 0.150 0.000 0.832 967 A CB -0.119 19.135 19.000 0.423 0.000 0.981 967 A HN 0.323 nan 8.150 nan 0.000 0.492 968 Q N -0.262 119.569 119.800 0.052 0.000 2.431 968 Q HA -0.011 4.330 4.340 0.003 0.000 0.210 968 Q C 1.378 177.365 176.000 -0.022 0.000 0.958 968 Q CA 1.236 57.074 55.803 0.059 0.000 0.957 968 Q CB 0.026 28.836 28.738 0.120 0.000 1.007 968 Q HN 0.613 nan 8.270 nan 0.000 0.511 969 Q N 0.725 120.442 119.800 -0.139 0.000 2.525 969 Q HA 0.053 4.395 4.340 0.003 0.000 0.203 969 Q C 1.693 177.427 176.000 -0.443 0.000 0.947 969 Q CA 1.773 57.438 55.803 -0.230 0.000 0.881 969 Q CB -0.360 28.296 28.738 -0.137 0.000 1.049 969 Q HN 0.235 nan 8.270 nan 0.000 0.600 970 T N 0.420 114.682 114.554 -0.488 0.000 2.822 970 T HA -0.112 4.240 4.350 0.003 0.000 0.270 970 T C 0.377 174.526 174.700 -0.918 0.000 1.064 970 T CA 1.587 63.202 62.100 -0.809 0.000 1.131 970 T CB -0.264 67.841 68.868 -1.272 0.000 0.858 970 T HN 0.305 nan 8.240 nan 0.000 0.483 971 F N -0.822 118.954 119.950 -0.291 0.000 2.688 971 F HA 0.315 4.843 4.527 0.003 0.000 0.310 971 F C 0.395 176.175 175.800 -0.034 0.000 1.098 971 F CA -0.783 57.117 58.000 -0.166 0.000 1.228 971 F CB 0.055 38.955 39.000 -0.168 0.000 1.042 971 F HN 0.062 nan 8.300 nan 0.000 0.557 972 H N 1.346 120.446 119.070 0.050 0.000 2.630 972 H HA -0.168 4.389 4.556 0.003 0.000 0.301 972 H C -0.589 174.778 175.328 0.065 0.000 0.887 972 H CA 0.210 56.288 56.048 0.049 0.000 0.977 972 H CB -0.748 29.030 29.762 0.027 0.000 1.596 972 H HN 0.172 nan 8.280 nan 0.000 0.320 973 I N 4.655 125.326 120.570 0.168 0.000 2.389 973 I HA 0.114 4.286 4.170 0.003 0.000 0.288 973 I C 0.183 176.327 176.117 0.045 0.000 0.999 973 I CA -0.659 60.688 61.300 0.079 0.000 1.129 973 I CB 1.025 39.040 38.000 0.025 0.000 1.288 973 I HN 0.390 nan 8.210 nan 0.000 0.444 974 D N 5.925 126.337 120.400 0.020 0.000 2.339 974 D HA 0.067 4.709 4.640 0.003 0.000 0.245 974 D C -0.091 176.155 176.300 -0.090 0.000 1.115 974 D CA 0.153 54.185 54.000 0.054 0.000 0.917 974 D CB 0.795 41.626 40.800 0.050 0.000 1.192 974 D HN 0.569 nan 8.370 nan 0.000 0.428 975 H N -0.025 119.069 119.070 0.041 0.000 2.472 975 H HA 0.170 4.728 4.556 0.003 0.000 0.287 975 H C 0.116 175.455 175.328 0.018 0.000 1.112 975 H CA -0.034 56.033 56.048 0.032 0.000 1.021 975 H CB 0.346 30.130 29.762 0.037 0.000 1.635 975 H HN 0.555 nan 8.280 nan 0.000 0.559 976 T N -2.291 112.307 114.554 0.073 0.000 3.262 976 T HA 0.267 4.619 4.350 0.003 0.000 0.300 976 T C 0.377 175.085 174.700 0.012 0.000 0.959 976 T CA -0.395 61.729 62.100 0.041 0.000 0.936 976 T CB 0.875 69.768 68.868 0.042 0.000 1.169 976 T HN 0.000 nan 8.240 nan 0.000 0.532 977 K N 2.527 122.923 120.400 -0.006 0.000 2.427 977 K HA 0.582 4.904 4.320 0.003 0.000 0.252 977 K C -2.800 173.781 176.600 -0.033 0.000 0.931 977 K CA -2.144 54.133 56.287 -0.017 0.000 0.793 977 K CB 2.177 34.670 32.500 -0.012 0.000 1.211 977 K HN -0.019 nan 8.250 nan 0.000 0.426 978 P HA -0.036 nan 4.420 nan 0.000 0.270 978 P C -0.224 177.049 177.300 -0.045 0.000 1.223 978 P CA -0.244 62.834 63.100 -0.037 0.000 0.785 978 P CB 1.038 32.719 31.700 -0.032 0.000 0.923 979 S N 0.107 115.775 115.700 -0.052 0.000 2.625 979 S HA 0.149 4.621 4.470 0.003 0.000 0.262 979 S C 0.162 174.730 174.600 -0.054 0.000 1.223 979 S CA -0.225 57.940 58.200 -0.058 0.000 0.993 979 S CB -0.070 63.088 63.200 -0.069 0.000 1.051 979 S HN 0.654 nan 8.310 nan 0.000 0.562 980 D N 1.065 121.429 120.400 -0.061 0.000 2.997 980 D HA 0.218 4.860 4.640 0.003 0.000 0.362 980 D C -0.879 175.377 176.300 -0.074 0.000 1.298 980 D CA -0.175 53.791 54.000 -0.058 0.000 0.756 980 D CB -0.612 40.160 40.800 -0.046 0.000 1.216 980 D HN 0.270 nan 8.370 nan 0.000 0.496 981 L N 0.841 122.005 121.223 -0.098 0.000 2.329 981 L HA 0.389 4.731 4.340 0.003 0.000 0.279 981 L C 0.251 177.050 176.870 -0.120 0.000 1.014 981 L CA -0.492 54.264 54.840 -0.139 0.000 0.814 981 L CB 2.090 44.014 42.059 -0.225 0.000 1.257 981 L HN -0.056 nan 8.230 nan 0.000 0.424 982 T N 2.401 116.888 114.554 -0.111 0.000 2.869 982 T HA 0.187 4.539 4.350 0.003 0.000 0.295 982 T C 1.730 176.365 174.700 -0.108 0.000 0.987 982 T CA -0.713 61.334 62.100 -0.088 0.000 1.109 982 T CB 1.264 70.094 68.868 -0.063 0.000 0.932 982 T HN 0.324 nan 8.240 nan 0.000 0.518 983 I N 1.281 121.799 120.570 -0.086 0.000 2.561 983 I HA -0.226 3.946 4.170 0.003 0.000 0.263 983 I C 2.039 178.116 176.117 -0.067 0.000 1.171 983 I CA 1.613 62.868 61.300 -0.076 0.000 1.430 983 I CB -0.901 37.069 38.000 -0.051 0.000 1.105 983 I HN 0.722 nan 8.210 nan 0.000 0.453 984 K N 0.487 120.849 120.400 -0.063 0.000 2.099 984 K HA -0.081 4.241 4.320 0.003 0.000 0.203 984 K C 1.687 178.255 176.600 -0.054 0.000 1.047 984 K CA 0.716 56.977 56.287 -0.044 0.000 0.963 984 K CB 0.180 32.661 32.500 -0.031 0.000 0.759 984 K HN 0.176 nan 8.250 nan 0.000 0.451 985 D N 1.198 121.545 120.400 -0.087 0.000 2.108 985 D HA -0.227 4.415 4.640 0.003 0.000 0.190 985 D C 1.863 178.068 176.300 -0.157 0.000 0.995 985 D CA 1.452 55.390 54.000 -0.104 0.000 0.834 985 D CB -0.511 40.195 40.800 -0.156 0.000 0.967 985 D HN 0.175 nan 8.370 nan 0.000 0.446 986 I N 0.849 121.211 120.570 -0.346 0.000 2.139 986 I HA -0.327 3.845 4.170 0.003 0.000 0.211 986 I C 2.648 178.745 176.117 -0.034 0.000 1.000 986 I CA 0.936 62.040 61.300 -0.328 0.000 1.327 986 I CB -0.847 36.972 38.000 -0.301 0.000 1.052 986 I HN -0.136 nan 8.210 nan 0.000 0.385 987 V N 0.486 120.382 119.914 -0.029 0.000 2.311 987 V HA -0.348 3.773 4.120 0.003 0.000 0.259 987 V C 2.249 178.361 176.094 0.031 0.000 1.086 987 V CA 2.490 64.798 62.300 0.013 0.000 1.078 987 V CB -0.605 31.219 31.823 0.001 0.000 0.668 987 V HN 0.410 nan 8.190 nan 0.000 0.452 988 L N -0.911 120.326 121.223 0.023 0.000 2.249 988 L HA 0.144 4.486 4.340 0.003 0.000 0.207 988 L C 2.314 179.217 176.870 0.056 0.000 1.090 988 L CA 1.176 56.035 54.840 0.030 0.000 0.802 988 L CB -0.454 41.614 42.059 0.016 0.000 0.947 988 L HN 0.396 nan 8.230 nan 0.000 0.453 989 G N -0.822 108.040 108.800 0.102 0.000 2.414 989 G HA2 -0.231 3.731 3.960 0.003 0.000 0.215 989 G HA3 -0.231 3.731 3.960 0.003 0.000 0.215 989 G C 1.520 176.492 174.900 0.120 0.000 1.188 989 G CA 0.782 45.970 45.100 0.147 0.000 0.783 989 G HN 0.166 nan 8.290 nan 0.000 0.537 990 V N 0.670 120.685 119.914 0.169 0.000 2.357 990 V HA -0.280 3.842 4.120 0.003 0.000 0.257 990 V C 2.775 178.894 176.094 0.040 0.000 1.082 990 V CA 2.659 65.023 62.300 0.107 0.000 1.078 990 V CB -0.297 31.604 31.823 0.130 0.000 0.663 990 V HN 0.452 nan 8.190 nan 0.000 0.455 991 K N -1.225 119.196 120.400 0.035 0.000 2.243 991 K HA -0.052 4.270 4.320 0.003 0.000 0.201 991 K C 0.692 177.291 176.600 -0.001 0.000 1.051 991 K CA 1.179 57.472 56.287 0.010 0.000 0.970 991 K CB 0.175 32.682 32.500 0.012 0.000 0.755 991 K HN 0.432 nan 8.250 nan 0.000 0.465 992 D N 0.314 120.718 120.400 0.006 0.000 2.623 992 D HA 0.022 4.663 4.640 0.003 0.000 0.252 992 D C 0.653 176.943 176.300 -0.015 0.000 1.294 992 D CA -0.006 53.991 54.000 -0.006 0.000 0.824 992 D CB 0.978 41.779 40.800 0.001 0.000 1.070 992 D HN 0.118 nan 8.370 nan 0.000 0.487 993 L N 0.096 121.306 121.223 -0.023 0.000 2.185 993 L HA 0.108 4.449 4.340 0.003 0.000 0.198 993 L C 2.059 178.878 176.870 -0.084 0.000 1.079 993 L CA 1.430 56.237 54.840 -0.054 0.000 0.780 993 L CB -0.258 41.768 42.059 -0.054 0.000 0.955 993 L HN -0.179 nan 8.230 nan 0.000 0.462 994 Q N 0.016 119.773 119.800 -0.072 0.000 2.146 994 Q HA -0.328 4.014 4.340 0.003 0.000 0.217 994 Q C 2.079 178.023 176.000 -0.094 0.000 1.023 994 Q CA 2.611 58.364 55.803 -0.084 0.000 0.903 994 Q CB -0.283 28.423 28.738 -0.054 0.000 0.990 994 Q HN 0.532 nan 8.270 nan 0.000 0.413 995 E N -0.224 119.937 120.200 -0.065 0.000 2.333 995 E HA -0.124 4.227 4.350 0.003 0.000 0.198 995 E C 0.543 177.104 176.600 -0.064 0.000 1.007 995 E CA 0.937 57.305 56.400 -0.054 0.000 0.845 995 E CB -0.125 29.555 29.700 -0.034 0.000 0.766 995 E HN 0.625 nan 8.360 nan 0.000 0.507 996 N N -0.241 118.407 118.700 -0.088 0.000 2.238 996 N HA 0.079 4.821 4.740 0.003 0.000 0.235 996 N C 0.820 176.238 175.510 -0.153 0.000 1.209 996 N CA -0.119 52.876 53.050 -0.092 0.000 0.879 996 N CB 0.337 38.785 38.487 -0.065 0.000 1.136 996 N HN 0.024 nan 8.380 nan 0.000 0.517 997 L N 1.506 122.573 121.223 -0.261 0.000 2.798 997 L HA 0.155 4.496 4.340 0.003 0.000 0.254 997 L C 0.478 177.157 176.870 -0.318 0.000 1.176 997 L CA 0.016 54.521 54.840 -0.558 0.000 0.991 997 L CB -0.375 41.143 42.059 -0.902 0.000 1.225 997 L HN 0.270 nan 8.230 nan 0.000 0.420 998 L N 0.675 121.836 121.223 -0.103 0.000 2.822 998 L HA -0.185 4.156 4.340 0.003 0.000 0.288 998 L C 1.221 178.163 176.870 0.120 0.000 1.182 998 L CA 0.694 55.539 54.840 0.009 0.000 0.936 998 L CB 0.318 42.379 42.059 0.003 0.000 1.269 998 L HN 0.125 nan 8.230 nan 0.000 0.476 999 V N 5.372 125.365 119.914 0.131 0.000 2.735 999 V HA 0.134 4.255 4.120 0.003 0.000 0.234 999 V C 0.755 176.895 176.094 0.077 0.000 1.121 999 V CA 0.250 62.627 62.300 0.129 0.000 1.160 999 V CB 0.429 32.344 31.823 0.152 0.000 0.908 999 V HN 0.497 nan 8.190 nan 0.000 0.495 1000 L N 0.289 121.554 121.223 0.071 0.000 2.295 1000 L HA 0.434 4.776 4.340 0.003 0.000 0.285 1000 L C 1.080 177.977 176.870 0.044 0.000 1.035 1000 L CA 0.007 54.883 54.840 0.060 0.000 0.806 1000 L CB 1.956 44.054 42.059 0.065 0.000 1.214 1000 L HN 0.067 nan 8.230 nan 0.000 0.426 1001 R N 1.940 122.465 120.500 0.041 0.000 2.103 1001 R HA 0.170 4.512 4.340 0.003 0.000 0.212 1001 R C 0.862 177.176 176.300 0.023 0.000 1.107 1001 R CA 0.436 56.553 56.100 0.028 0.000 1.025 1001 R CB 0.007 30.323 30.300 0.026 0.000 0.929 1001 R HN 0.824 nan 8.270 nan 0.000 0.456 1002 G N 1.445 110.263 108.800 0.029 0.000 2.368 1002 G HA2 -0.239 3.723 3.960 0.003 0.000 0.247 1002 G HA3 -0.239 3.723 3.960 0.003 0.000 0.247 1002 G C -0.096 174.814 174.900 0.016 0.000 0.855 1002 G CA 0.234 45.348 45.100 0.024 0.000 0.943 1002 G HN 0.348 nan 8.290 nan 0.000 0.374 1003 K N 1.127 121.535 120.400 0.012 0.000 2.458 1003 K HA 0.004 4.325 4.320 0.003 0.000 0.194 1003 K C 1.006 177.610 176.600 0.006 0.000 1.024 1003 K CA 0.182 56.474 56.287 0.008 0.000 1.108 1003 K CB 0.022 32.525 32.500 0.005 0.000 0.846 1003 K HN 0.782 nan 8.250 nan 0.000 0.518 1004 N N -0.846 117.859 118.700 0.008 0.000 2.478 1004 N HA -0.014 4.728 4.740 0.003 0.000 0.275 1004 N C 0.739 176.251 175.510 0.004 0.000 1.221 1004 N CA -0.484 52.569 53.050 0.006 0.000 0.979 1004 N CB 0.760 39.252 38.487 0.007 0.000 1.202 1004 N HN -0.268 nan 8.380 nan 0.000 0.564 1005 E N -0.227 119.974 120.200 0.001 0.000 2.049 1005 E HA -0.155 4.197 4.350 0.003 0.000 0.198 1005 E C 1.519 178.116 176.600 -0.005 0.000 1.007 1005 E CA 1.838 58.237 56.400 -0.003 0.000 0.809 1005 E CB -0.232 29.466 29.700 -0.004 0.000 0.749 1005 E HN 0.648 nan 8.360 nan 0.000 0.450 1006 I N 0.752 121.318 120.570 -0.008 0.000 2.193 1006 I HA -0.210 3.962 4.170 0.003 0.000 0.240 1006 I C 2.446 178.557 176.117 -0.011 0.000 1.084 1006 I CA 0.962 62.252 61.300 -0.017 0.000 1.365 1006 I CB -1.342 36.644 38.000 -0.025 0.000 1.064 1006 I HN 0.176 nan 8.210 nan 0.000 0.410 1007 I N 0.855 121.426 120.570 0.002 0.000 2.151 1007 I HA -0.288 3.883 4.170 0.003 0.000 0.243 1007 I C 2.684 178.810 176.117 0.016 0.000 1.080 1007 I CA 1.535 62.844 61.300 0.016 0.000 1.339 1007 I CB -1.023 36.992 38.000 0.025 0.000 1.039 1007 I HN 0.398 nan 8.210 nan 0.000 0.409 1008 Q N 0.380 120.186 119.800 0.010 0.000 2.170 1008 Q HA -0.166 4.176 4.340 0.003 0.000 0.203 1008 Q C 1.878 177.882 176.000 0.006 0.000 0.976 1008 Q CA 1.020 56.827 55.803 0.008 0.000 0.858 1008 Q CB -0.325 28.415 28.738 0.004 0.000 0.907 1008 Q HN 0.567 nan 8.270 nan 0.000 0.433 1009 N N 0.005 118.706 118.700 0.001 0.000 2.457 1009 N HA -0.037 4.705 4.740 0.003 0.000 0.180 1009 N C 1.439 176.950 175.510 0.002 0.000 1.050 1009 N CA 0.751 53.800 53.050 -0.002 0.000 0.906 1009 N CB 0.222 38.704 38.487 -0.009 0.000 0.968 1009 N HN 0.173 nan 8.380 nan 0.000 0.445 1010 A N 0.666 123.489 122.820 0.006 0.000 1.970 1010 A HA -0.127 4.195 4.320 0.003 0.000 0.216 1010 A C 2.173 179.778 177.584 0.034 0.000 1.170 1010 A CA 0.997 53.045 52.037 0.018 0.000 0.645 1010 A CB -0.310 18.705 19.000 0.024 0.000 0.816 1010 A HN 0.200 nan 8.150 nan 0.000 0.447 1011 Q N 0.332 120.151 119.800 0.032 0.000 2.079 1011 Q HA -0.098 4.243 4.340 0.003 0.000 0.200 1011 Q C 2.058 178.077 176.000 0.032 0.000 0.974 1011 Q CA 2.014 57.839 55.803 0.038 0.000 0.840 1011 Q CB -0.388 28.367 28.738 0.028 0.000 0.898 1011 Q HN 0.576 nan 8.270 nan 0.000 0.430 1012 R N -0.267 120.243 120.500 0.017 0.000 2.189 1012 R HA -0.095 4.247 4.340 0.003 0.000 0.223 1012 R C 0.924 177.232 176.300 0.013 0.000 1.092 1012 R CA 1.444 57.548 56.100 0.007 0.000 0.989 1012 R CB 0.114 30.413 30.300 -0.002 0.000 0.876 1012 R HN 0.415 nan 8.270 nan 0.000 0.457 1013 D N -0.682 119.735 120.400 0.027 0.000 2.277 1013 D HA 0.010 4.652 4.640 0.003 0.000 0.209 1013 D C 1.323 177.656 176.300 0.054 0.000 0.970 1013 D CA 0.819 54.842 54.000 0.039 0.000 0.874 1013 D CB 0.175 40.998 40.800 0.039 0.000 0.982 1013 D HN 0.218 nan 8.370 nan 0.000 0.504 1014 A N 0.482 123.341 122.820 0.064 0.000 2.206 1014 A HA 0.058 4.379 4.320 0.003 0.000 0.211 1014 A C 1.989 179.646 177.584 0.123 0.000 1.158 1014 A CA 0.652 52.741 52.037 0.086 0.000 0.761 1014 A CB 0.118 19.173 19.000 0.091 0.000 0.801 1014 A HN 0.130 nan 8.150 nan 0.000 0.473 1015 V N -2.478 117.506 119.914 0.117 0.000 3.473 1015 V HA -0.061 4.061 4.120 0.003 0.000 0.253 1015 V C 2.212 178.377 176.094 0.118 0.000 1.340 1015 V CA 1.225 63.628 62.300 0.172 0.000 1.103 1015 V CB -0.517 31.377 31.823 0.120 0.000 0.881 1015 V HN 0.428 nan 8.190 nan 0.000 0.451 1016 T N 1.374 115.943 114.554 0.025 0.000 2.701 1016 T HA -0.321 4.031 4.350 0.003 0.000 0.265 1016 T C 1.757 176.380 174.700 -0.130 0.000 1.032 1016 T CA 2.375 64.418 62.100 -0.094 0.000 1.158 1016 T CB -0.272 68.523 68.868 -0.120 0.000 0.854 1016 T HN 0.271 nan 8.240 nan 0.000 0.463 1017 L N -0.661 120.558 121.223 -0.007 0.000 2.209 1017 L HA 0.125 4.467 4.340 0.003 0.000 0.207 1017 L C 2.178 179.086 176.870 0.063 0.000 1.094 1017 L CA 0.968 55.816 54.840 0.012 0.000 0.790 1017 L CB -0.336 41.776 42.059 0.088 0.000 0.932 1017 L HN 0.247 nan 8.230 nan 0.000 0.447 1018 F N 0.367 120.332 119.950 0.026 0.000 2.171 1018 F HA -0.233 4.295 4.527 0.003 0.000 0.300 1018 F C 2.407 178.219 175.800 0.019 0.000 1.090 1018 F CA 1.486 59.527 58.000 0.069 0.000 1.293 1018 F CB -0.487 38.635 39.000 0.204 0.000 1.013 1018 F HN 0.098 nan 8.300 nan 0.000 0.486 1019 C N -0.698 118.539 119.300 -0.105 0.000 2.468 1019 C HA -0.086 4.376 4.460 0.003 0.000 0.277 1019 C C 2.943 177.798 174.990 -0.224 0.000 1.400 1019 C CA 0.684 59.582 59.018 -0.200 0.000 1.770 1019 C CB -1.963 25.717 27.740 -0.099 0.000 1.905 1019 C HN 0.672 nan 8.230 nan 0.000 0.519 1020 C N 0.125 119.298 119.300 -0.211 0.000 2.422 1020 C HA -0.090 4.372 4.460 0.003 0.000 0.279 1020 C C 2.488 177.376 174.990 -0.170 0.000 1.305 1020 C CA 0.701 59.605 59.018 -0.190 0.000 1.757 1020 C CB -1.488 26.143 27.740 -0.181 0.000 1.962 1020 C HN 0.638 nan 8.230 nan 0.000 0.499 1021 L N 0.904 121.994 121.223 -0.222 0.000 1.982 1021 L HA -0.011 4.331 4.340 0.003 0.000 0.206 1021 L C 2.391 179.118 176.870 -0.239 0.000 1.078 1021 L CA 1.677 56.388 54.840 -0.215 0.000 0.749 1021 L CB -1.244 40.653 42.059 -0.269 0.000 0.894 1021 L HN 0.238 nan 8.230 nan 0.000 0.436 1022 L N 0.222 121.179 121.223 -0.443 0.000 2.058 1022 L HA -0.335 4.006 4.340 0.003 0.000 0.226 1022 L C 2.686 179.478 176.870 -0.130 0.000 1.089 1022 L CA 2.295 56.930 54.840 -0.342 0.000 0.799 1022 L CB -0.721 41.086 42.059 -0.420 0.000 0.900 1022 L HN 0.359 nan 8.230 nan 0.000 0.442 1023 R N -0.766 119.667 120.500 -0.112 0.000 2.092 1023 R HA -0.091 4.251 4.340 0.003 0.000 0.231 1023 R C 2.423 178.736 176.300 0.021 0.000 1.119 1023 R CA 1.431 57.509 56.100 -0.036 0.000 0.970 1023 R CB -0.637 29.629 30.300 -0.058 0.000 0.864 1023 R HN 0.708 nan 8.270 nan 0.000 0.440 1024 S N 0.324 116.025 115.700 0.002 0.000 2.447 1024 S HA -0.064 4.408 4.470 0.003 0.000 0.233 1024 S C 1.866 176.613 174.600 0.245 0.000 1.006 1024 S CA 0.818 59.076 58.200 0.096 0.000 0.957 1024 S CB 0.103 63.309 63.200 0.011 0.000 0.773 1024 S HN 0.141 nan 8.310 nan 0.000 0.507 1025 R N -0.057 120.530 120.500 0.145 0.000 2.335 1025 R HA 0.482 4.824 4.340 0.003 0.000 0.210 1025 R C 0.593 177.039 176.300 0.243 0.000 0.892 1025 R CA 0.302 56.521 56.100 0.200 0.000 1.048 1025 R CB 0.203 30.591 30.300 0.147 0.000 1.067 1025 R HN 0.387 nan 8.270 nan 0.000 0.524 1026 L N 0.389 121.715 121.223 0.173 0.000 3.094 1026 L HA 0.516 4.857 4.340 0.003 0.000 0.254 1026 L C -0.240 176.728 176.870 0.164 0.000 1.298 1026 L CA -0.651 54.317 54.840 0.212 0.000 1.050 1026 L CB 0.803 42.975 42.059 0.188 0.000 1.420 1026 L HN -0.013 nan 8.230 nan 0.000 0.548 1027 A N -0.521 122.379 122.820 0.135 0.000 2.306 1027 A HA 0.471 4.793 4.320 0.003 0.000 0.314 1027 A C 1.255 178.857 177.584 0.030 0.000 1.164 1027 A CA -0.247 51.857 52.037 0.112 0.000 0.822 1027 A CB 0.809 19.944 19.000 0.224 0.000 1.130 1027 A HN 0.272 nan 8.150 nan 0.000 0.496 1028 T N 1.120 115.686 114.554 0.019 0.000 2.699 1028 T HA -0.159 4.192 4.350 0.003 0.000 0.268 1028 T C 2.030 176.680 174.700 -0.082 0.000 1.036 1028 T CA 1.683 63.762 62.100 -0.035 0.000 1.147 1028 T CB -0.168 68.684 68.868 -0.027 0.000 0.862 1028 T HN 0.623 nan 8.240 nan 0.000 0.446 1029 R N 0.539 120.986 120.500 -0.089 0.000 2.115 1029 R HA 0.045 4.387 4.340 0.003 0.000 0.230 1029 R C 2.631 178.789 176.300 -0.236 0.000 1.111 1029 R CA 0.950 56.964 56.100 -0.143 0.000 0.976 1029 R CB -0.156 30.064 30.300 -0.133 0.000 0.870 1029 R HN 0.324 nan 8.270 nan 0.000 0.445 1030 R N -0.053 120.264 120.500 -0.306 0.000 2.055 1030 R HA -0.076 4.265 4.340 0.003 0.000 0.228 1030 R C 2.272 178.253 176.300 -0.532 0.000 1.143 1030 R CA 1.360 57.191 56.100 -0.448 0.000 0.945 1030 R CB -0.305 29.720 30.300 -0.459 0.000 0.841 1030 R HN -0.009 nan 8.270 nan 0.000 0.429 1031 V N 1.886 121.603 119.914 -0.328 0.000 2.218 1031 V HA -0.346 3.776 4.120 0.003 0.000 0.251 1031 V C 2.355 178.340 176.094 -0.181 0.000 1.057 1031 V CA 2.228 64.425 62.300 -0.172 0.000 1.022 1031 V CB -0.576 31.281 31.823 0.056 0.000 0.645 1031 V HN 0.358 nan 8.190 nan 0.000 0.451 1032 L N -0.953 120.182 121.223 -0.146 0.000 2.217 1032 L HA -0.136 4.206 4.340 0.003 0.000 0.211 1032 L C 2.466 179.265 176.870 -0.118 0.000 1.107 1032 L CA 1.597 56.372 54.840 -0.110 0.000 0.783 1032 L CB -0.442 41.556 42.059 -0.102 0.000 0.919 1032 L HN 0.405 nan 8.230 nan 0.000 0.442 1033 Q N -0.078 119.621 119.800 -0.169 0.000 2.324 1033 Q HA -0.067 4.274 4.340 0.003 0.000 0.207 1033 Q C 1.980 177.902 176.000 -0.130 0.000 0.928 1033 Q CA 0.667 56.389 55.803 -0.135 0.000 0.890 1033 Q CB 0.399 29.053 28.738 -0.141 0.000 1.001 1033 Q HN 0.418 nan 8.270 nan 0.000 0.517 1034 E N -0.751 119.293 120.200 -0.259 0.000 2.102 1034 E HA -0.032 4.319 4.350 0.003 0.000 0.190 1034 E C -0.523 176.059 176.600 -0.030 0.000 0.971 1034 E CA 0.494 56.766 56.400 -0.214 0.000 0.821 1034 E CB 0.455 29.942 29.700 -0.356 0.000 0.777 1034 E HN 0.392 nan 8.360 nan 0.000 0.460 1035 Y N -0.853 119.491 120.300 0.073 0.000 2.662 1035 Y HA 0.446 4.997 4.550 0.003 0.000 0.358 1035 Y C -0.690 175.238 175.900 0.045 0.000 1.041 1035 Y CA -1.042 57.127 58.100 0.114 0.000 1.184 1035 Y CB -0.284 38.242 38.460 0.108 0.000 1.114 1035 Y HN -0.319 nan 8.280 nan 0.000 0.650 1036 R N 2.590 123.132 120.500 0.071 0.000 3.419 1036 R HA -0.003 4.339 4.340 0.003 0.000 0.236 1036 R C -0.351 175.948 176.300 -0.002 0.000 1.375 1036 R CA 0.277 56.356 56.100 -0.035 0.000 0.977 1036 R CB -0.417 29.792 30.300 -0.152 0.000 1.121 1036 R HN 0.672 nan 8.270 nan 0.000 0.516 1037 L N 0.795 122.076 121.223 0.097 0.000 2.464 1037 L HA 0.080 4.421 4.340 0.003 0.000 0.264 1037 L C 1.333 178.219 176.870 0.026 0.000 1.199 1037 L CA 0.349 55.256 54.840 0.112 0.000 0.818 1037 L CB 0.831 43.047 42.059 0.262 0.000 1.102 1037 L HN 0.473 nan 8.230 nan 0.000 0.473 1038 T N -2.030 112.521 114.554 -0.005 0.000 2.937 1038 T HA 0.293 4.645 4.350 0.003 0.000 0.283 1038 T C 0.598 175.284 174.700 -0.022 0.000 1.012 1038 T CA -0.752 61.318 62.100 -0.049 0.000 0.997 1038 T CB 1.526 70.336 68.868 -0.095 0.000 1.136 1038 T HN 0.513 nan 8.240 nan 0.000 0.551 1039 K N -0.135 120.241 120.400 -0.040 0.000 2.217 1039 K HA -0.034 4.288 4.320 0.003 0.000 0.202 1039 K C 2.131 178.754 176.600 0.039 0.000 1.051 1039 K CA 1.450 57.737 56.287 0.000 0.000 0.952 1039 K CB -0.263 32.220 32.500 -0.028 0.000 0.736 1039 K HN 0.707 nan 8.250 nan 0.000 0.453 1040 Q N -0.467 119.293 119.800 -0.067 0.000 2.165 1040 Q HA 0.049 4.391 4.340 0.003 0.000 0.197 1040 Q C 1.913 177.755 176.000 -0.263 0.000 0.952 1040 Q CA 0.981 56.710 55.803 -0.124 0.000 0.848 1040 Q CB -0.158 28.475 28.738 -0.174 0.000 0.931 1040 Q HN 0.378 nan 8.270 nan 0.000 0.470 1041 A N 0.577 123.096 122.820 -0.502 0.000 1.933 1041 A HA -0.164 4.158 4.320 0.003 0.000 0.218 1041 A C 1.835 179.418 177.584 -0.001 0.000 1.175 1041 A CA 1.175 52.794 52.037 -0.697 0.000 0.628 1041 A CB -0.907 17.704 19.000 -0.648 0.000 0.814 1041 A HN 0.598 nan 8.150 nan 0.000 0.444 1042 F N 1.085 121.008 119.950 -0.045 0.000 2.084 1042 F HA -0.168 4.360 4.527 0.003 0.000 0.296 1042 F C 1.735 177.586 175.800 0.086 0.000 1.111 1042 F CA 2.087 60.120 58.000 0.056 0.000 1.224 1042 F CB -0.324 38.693 39.000 0.028 0.000 0.991 1042 F HN 0.231 nan 8.300 nan 0.000 0.471 1043 D N -0.417 120.103 120.400 0.200 0.000 2.203 1043 D HA -0.265 4.376 4.640 0.003 0.000 0.199 1043 D C 1.593 177.927 176.300 0.055 0.000 0.997 1043 D CA 1.599 55.661 54.000 0.104 0.000 0.863 1043 D CB -0.475 40.406 40.800 0.135 0.000 0.928 1043 D HN 0.583 nan 8.370 nan 0.000 0.458 1044 W N 0.363 121.610 121.300 -0.088 0.000 2.463 1044 W HA -0.104 4.558 4.660 0.003 0.000 0.316 1044 W C 2.188 178.660 176.519 -0.077 0.000 1.170 1044 W CA 0.726 58.059 57.345 -0.019 0.000 1.355 1044 W CB -0.688 28.842 29.460 0.116 0.000 1.159 1044 W HN -0.269 nan 8.180 nan 0.000 0.487 1045 V N 1.732 121.708 119.914 0.103 0.000 2.511 1045 V HA -0.331 3.790 4.120 0.003 0.000 0.257 1045 V C 2.114 178.002 176.094 -0.344 0.000 1.088 1045 V CA 2.126 64.333 62.300 -0.155 0.000 1.098 1045 V CB -0.956 30.851 31.823 -0.026 0.000 0.674 1045 V HN 0.402 nan 8.190 nan 0.000 0.470 1046 L N -1.023 119.939 121.223 -0.435 0.000 2.145 1046 L HA -0.034 4.308 4.340 0.003 0.000 0.201 1046 L C 2.601 179.318 176.870 -0.255 0.000 1.075 1046 L CA 1.777 56.383 54.840 -0.390 0.000 0.773 1046 L CB -0.286 41.483 42.059 -0.484 0.000 0.936 1046 L HN 0.313 nan 8.230 nan 0.000 0.451 1047 S N -0.176 115.387 115.700 -0.229 0.000 2.370 1047 S HA -0.229 4.242 4.470 0.003 0.000 0.226 1047 S C 1.911 176.356 174.600 -0.258 0.000 1.033 1047 S CA 1.730 59.818 58.200 -0.186 0.000 1.011 1047 S CB -0.505 62.625 63.200 -0.116 0.000 0.852 1047 S HN 0.545 nan 8.310 nan 0.000 0.457 1048 N N 0.998 119.430 118.700 -0.446 0.000 2.022 1048 N HA -0.072 4.670 4.740 0.003 0.000 0.194 1048 N C 1.869 177.222 175.510 -0.262 0.000 1.057 1048 N CA 1.804 54.559 53.050 -0.492 0.000 0.849 1048 N CB -0.572 37.381 38.487 -0.891 0.000 1.044 1048 N HN 0.443 nan 8.380 nan 0.000 0.424 1049 I N 1.530 121.971 120.570 -0.215 0.000 2.244 1049 I HA -0.350 3.821 4.170 0.003 0.000 0.252 1049 I C 2.463 178.581 176.117 0.001 0.000 1.062 1049 I CA 1.516 62.783 61.300 -0.055 0.000 1.342 1049 I CB -0.165 37.822 38.000 -0.022 0.000 1.031 1049 I HN 0.415 nan 8.210 nan 0.000 0.433 1050 E N 0.344 120.505 120.200 -0.065 0.000 2.051 1050 E HA -0.185 4.167 4.350 0.003 0.000 0.189 1050 E C 2.246 178.844 176.600 -0.003 0.000 0.979 1050 E CA 1.059 57.426 56.400 -0.055 0.000 0.803 1050 E CB -0.022 29.622 29.700 -0.093 0.000 0.761 1050 E HN 0.521 nan 8.360 nan 0.000 0.451 1051 A N 1.094 123.888 122.820 -0.044 0.000 1.873 1051 A HA -0.176 4.145 4.320 0.003 0.000 0.215 1051 A C 2.135 179.706 177.584 -0.021 0.000 1.186 1051 A CA 1.173 53.189 52.037 -0.034 0.000 0.616 1051 A CB -0.492 18.472 19.000 -0.060 0.000 0.823 1051 A HN 0.265 nan 8.150 nan 0.000 0.442 1052 Q N -1.645 118.134 119.800 -0.035 0.000 2.135 1052 Q HA -0.205 4.136 4.340 0.003 0.000 0.204 1052 Q C 1.855 177.837 176.000 -0.029 0.000 0.981 1052 Q CA 1.655 57.440 55.803 -0.029 0.000 0.856 1052 Q CB -0.311 28.405 28.738 -0.035 0.000 0.902 1052 Q HN 0.757 nan 8.270 nan 0.000 0.425 1053 F N 1.045 120.897 119.950 -0.163 0.000 2.009 1053 F HA -0.221 4.307 4.527 0.003 0.000 0.293 1053 F C 2.178 177.856 175.800 -0.202 0.000 1.156 1053 F CA 1.232 59.092 58.000 -0.235 0.000 1.168 1053 F CB -0.439 38.410 39.000 -0.252 0.000 0.981 1053 F HN -0.064 nan 8.300 nan 0.000 0.475 1054 L N 0.396 121.738 121.223 0.200 0.000 2.230 1054 L HA -0.333 4.009 4.340 0.003 0.000 0.217 1054 L C 2.548 179.351 176.870 -0.111 0.000 1.090 1054 L CA 1.521 56.397 54.840 0.060 0.000 0.771 1054 L CB -0.701 41.390 42.059 0.052 0.000 0.892 1054 L HN 0.195 nan 8.230 nan 0.000 0.438 1055 R N -0.840 119.574 120.500 -0.144 0.000 2.073 1055 R HA -0.142 4.199 4.340 0.003 0.000 0.234 1055 R C 2.481 178.487 176.300 -0.490 0.000 1.134 1055 R CA 1.733 57.700 56.100 -0.221 0.000 0.952 1055 R CB -0.409 29.796 30.300 -0.158 0.000 0.850 1055 R HN 0.301 nan 8.270 nan 0.000 0.433 1056 S N 0.502 115.859 115.700 -0.572 0.000 2.400 1056 S HA -0.058 4.413 4.470 0.003 0.000 0.232 1056 S C 0.916 175.265 174.600 -0.417 0.000 1.025 1056 S CA 0.449 58.251 58.200 -0.663 0.000 0.993 1056 S CB -0.105 62.815 63.200 -0.467 0.000 0.808 1056 S HN 0.030 nan 8.310 nan 0.000 0.478 1057 V N 3.278 122.976 119.914 -0.361 0.000 2.790 1057 V HA -0.070 4.051 4.120 0.003 0.000 0.304 1057 V C 0.499 176.517 176.094 -0.127 0.000 1.142 1057 V CA -0.000 62.169 62.300 -0.218 0.000 1.282 1057 V CB -0.026 31.695 31.823 -0.170 0.000 0.877 1057 V HN 0.167 nan 8.190 nan 0.000 0.504 1058 V N 6.097 125.982 119.914 -0.048 0.000 2.673 1058 V HA 0.035 4.157 4.120 0.003 0.000 0.303 1058 V C 0.614 176.683 176.094 -0.043 0.000 1.046 1058 V CA -0.187 62.107 62.300 -0.009 0.000 1.126 1058 V CB -0.047 31.724 31.823 -0.088 0.000 0.934 1058 V HN 0.780 nan 8.190 nan 0.000 0.487 1059 H N 4.807 123.810 119.070 -0.110 0.000 2.646 1059 H HA 0.220 4.778 4.556 0.003 0.000 0.325 1059 H C -2.270 172.951 175.328 -0.179 0.000 1.075 1059 H CA -1.799 54.193 56.048 -0.094 0.000 1.421 1059 H CB 1.334 31.067 29.762 -0.048 0.000 1.461 1059 H HN 0.455 nan 8.280 nan 0.000 0.525 1060 P HA 0.026 nan 4.420 nan 0.000 0.267 1060 P C 0.894 177.931 177.300 -0.438 0.000 1.209 1060 P CA 0.779 63.595 63.100 -0.474 0.000 0.763 1060 P CB 0.887 31.997 31.700 -0.985 0.000 0.816 1061 G N 2.639 111.218 108.800 -0.369 0.000 3.031 1061 G HA2 -0.180 3.782 3.960 0.003 0.000 0.198 1061 G HA3 -0.180 3.782 3.960 0.003 0.000 0.198 1061 G C 0.059 174.839 174.900 -0.201 0.000 1.242 1061 G CA -0.567 44.400 45.100 -0.221 0.000 0.878 1061 G HN 0.460 nan 8.290 nan 0.000 0.493 1062 E N 2.877 122.971 120.200 -0.177 0.000 3.160 1062 E HA -0.050 4.302 4.350 0.003 0.000 0.219 1062 E C 0.761 177.237 176.600 -0.208 0.000 1.126 1062 E CA 0.558 56.846 56.400 -0.187 0.000 0.915 1062 E CB -0.346 29.209 29.700 -0.241 0.000 0.985 1062 E HN 0.367 nan 8.360 nan 0.000 0.536 1063 M N 3.583 123.089 119.600 -0.157 0.000 2.720 1063 M HA -0.047 4.435 4.480 0.003 0.000 0.328 1063 M C 1.219 177.455 176.300 -0.106 0.000 1.682 1063 M CA 0.172 55.391 55.300 -0.135 0.000 1.381 1063 M CB -0.031 32.505 32.600 -0.107 0.000 1.868 1063 M HN 0.076 nan 8.290 nan 0.000 0.459 1064 V N 3.116 122.969 119.914 -0.102 0.000 2.992 1064 V HA 0.004 4.125 4.120 0.003 0.000 0.250 1064 V C 2.183 178.300 176.094 0.037 0.000 1.090 1064 V CA 1.599 63.886 62.300 -0.022 0.000 1.101 1064 V CB -0.289 31.533 31.823 -0.002 0.000 0.743 1064 V HN 0.982 nan 8.190 nan 0.000 0.468 1065 G N 0.905 109.699 108.800 -0.010 0.000 2.628 1065 G HA2 -0.262 3.699 3.960 0.003 0.000 0.217 1065 G HA3 -0.262 3.699 3.960 0.003 0.000 0.217 1065 G C 1.644 176.518 174.900 -0.043 0.000 1.240 1065 G CA 1.551 46.634 45.100 -0.029 0.000 0.792 1065 G HN 0.329 nan 8.290 nan 0.000 0.593 1066 V N 0.836 120.715 119.914 -0.058 0.000 2.527 1066 V HA -0.171 3.950 4.120 0.003 0.000 0.255 1066 V C 2.678 178.739 176.094 -0.056 0.000 1.081 1066 V CA 1.648 63.910 62.300 -0.064 0.000 1.092 1066 V CB -0.548 31.238 31.823 -0.061 0.000 0.673 1066 V HN 0.330 nan 8.190 nan 0.000 0.470 1067 L N 0.746 121.949 121.223 -0.033 0.000 2.095 1067 L HA 0.117 4.459 4.340 0.003 0.000 0.204 1067 L C 2.363 179.188 176.870 -0.075 0.000 1.080 1067 L CA 2.288 57.107 54.840 -0.034 0.000 0.759 1067 L CB -1.168 40.903 42.059 0.021 0.000 0.914 1067 L HN 0.228 nan 8.230 nan 0.000 0.439 1068 A N -0.844 121.992 122.820 0.028 0.000 2.016 1068 A HA 0.174 4.496 4.320 0.003 0.000 0.217 1068 A C 2.378 179.933 177.584 -0.048 0.000 1.162 1068 A CA 1.152 53.232 52.037 0.071 0.000 0.662 1068 A CB -0.714 18.402 19.000 0.194 0.000 0.812 1068 A HN 0.493 nan 8.150 nan 0.000 0.450 1069 A N -0.145 122.633 122.820 -0.071 0.000 1.845 1069 A HA -0.218 4.104 4.320 0.003 0.000 0.215 1069 A C 2.100 179.618 177.584 -0.110 0.000 1.195 1069 A CA 1.698 53.676 52.037 -0.098 0.000 0.616 1069 A CB -0.717 18.216 19.000 -0.112 0.000 0.832 1069 A HN 0.571 nan 8.150 nan 0.000 0.443 1070 Q N -0.132 119.601 119.800 -0.111 0.000 2.124 1070 Q HA -0.114 4.228 4.340 0.003 0.000 0.202 1070 Q C 2.375 178.304 176.000 -0.117 0.000 0.977 1070 Q CA 1.713 57.454 55.803 -0.104 0.000 0.850 1070 Q CB -0.182 28.517 28.738 -0.066 0.000 0.901 1070 Q HN 0.654 nan 8.270 nan 0.000 0.429 1071 S N 0.283 115.865 115.700 -0.198 0.000 2.402 1071 S HA -0.054 4.418 4.470 0.003 0.000 0.229 1071 S C 1.807 176.309 174.600 -0.164 0.000 1.021 1071 S CA 0.814 58.851 58.200 -0.272 0.000 0.974 1071 S CB 0.007 62.750 63.200 -0.762 0.000 0.800 1071 S HN 0.282 nan 8.310 nan 0.000 0.484 1072 I N 1.027 121.520 120.570 -0.127 0.000 2.585 1072 I HA 0.044 4.215 4.170 0.003 0.000 0.254 1072 I C 2.600 178.667 176.117 -0.084 0.000 1.129 1072 I CA 0.751 62.001 61.300 -0.083 0.000 1.455 1072 I CB -0.522 37.438 38.000 -0.067 0.000 1.111 1072 I HN 0.340 nan 8.210 nan 0.000 0.433 1073 G N 0.184 108.928 108.800 -0.094 0.000 2.408 1073 G HA2 -0.233 3.728 3.960 0.003 0.000 0.217 1073 G HA3 -0.233 3.728 3.960 0.003 0.000 0.217 1073 G C 1.572 176.412 174.900 -0.100 0.000 1.150 1073 G CA 0.432 45.477 45.100 -0.093 0.000 0.776 1073 G HN 0.271 nan 8.290 nan 0.000 0.542 1074 E N 1.227 121.352 120.200 -0.124 0.000 2.031 1074 E HA -0.082 4.269 4.350 0.003 0.000 0.193 1074 E C -0.076 176.466 176.600 -0.097 0.000 0.994 1074 E CA 1.288 57.593 56.400 -0.159 0.000 0.800 1074 E CB -0.719 28.823 29.700 -0.264 0.000 0.752 1074 E HN 0.364 nan 8.360 nan 0.000 0.447 1075 P HA 0.051 nan 4.420 nan 0.000 0.241 1075 P C 0.840 178.112 177.300 -0.046 0.000 1.191 1075 P CA 1.043 64.116 63.100 -0.045 0.000 0.771 1075 P CB 0.052 31.731 31.700 -0.036 0.000 0.929 1076 A N 0.238 123.026 122.820 -0.053 0.000 1.968 1076 A HA -0.087 4.234 4.320 0.003 0.000 0.217 1076 A C 2.133 179.694 177.584 -0.038 0.000 1.169 1076 A CA 1.883 53.894 52.037 -0.044 0.000 0.638 1076 A CB -1.758 17.214 19.000 -0.046 0.000 0.812 1076 A HN 0.180 nan 8.150 nan 0.000 0.446 1077 T N 0.516 115.041 114.554 -0.049 0.000 2.915 1077 T HA -0.088 4.263 4.350 0.003 0.000 0.269 1077 T C 1.254 175.932 174.700 -0.036 0.000 1.071 1077 T CA 1.337 63.410 62.100 -0.045 0.000 1.132 1077 T CB -0.136 68.692 68.868 -0.068 0.000 0.878 1077 T HN 0.542 nan 8.240 nan 0.000 0.479 1078 Q N 0.438 120.216 119.800 -0.036 0.000 2.212 1078 Q HA 0.327 4.669 4.340 0.003 0.000 0.213 1078 Q C -0.039 175.950 176.000 -0.019 0.000 0.874 1078 Q CA 0.005 55.793 55.803 -0.026 0.000 0.965 1078 Q CB -0.273 28.450 28.738 -0.025 0.000 1.074 1078 Q HN 0.555 nan 8.270 nan 0.000 0.473 1079 M N 1.481 121.070 119.600 -0.019 0.000 2.108 1079 M HA 0.324 4.806 4.480 0.003 0.000 0.354 1079 M C -0.503 175.792 176.300 -0.008 0.000 1.229 1079 M CA 0.384 55.675 55.300 -0.014 0.000 1.081 1079 M CB 1.136 33.726 32.600 -0.017 0.000 1.606 1079 M HN -0.127 nan 8.290 nan 0.000 0.467 1080 T N 3.605 118.157 114.554 -0.004 0.000 2.932 1080 T HA 0.753 5.105 4.350 0.003 0.000 0.318 1080 T C -0.893 173.810 174.700 0.004 0.000 1.265 1080 T CA -0.765 61.335 62.100 0.001 0.000 1.036 1080 T CB 2.277 71.146 68.868 0.001 0.000 1.209 1080 T HN 0.666 nan 8.240 nan 0.000 0.484 1093 K N 0.949 121.370 120.400 0.035 0.000 3.413 1093 K HA 0.159 4.480 4.320 0.003 0.000 0.170 1093 K C -0.517 176.104 176.600 0.036 0.000 1.005 1093 K CA -0.130 56.175 56.287 0.031 0.000 0.925 1093 K CB 0.976 33.492 32.500 0.027 0.000 0.686 1093 K HN 0.234 nan 8.250 nan 0.000 0.432 1094 V N -0.199 119.739 119.914 0.040 0.000 2.713 1094 V HA 0.442 4.564 4.120 0.003 0.000 0.307 1094 V C 0.461 176.579 176.094 0.041 0.000 1.052 1094 V CA -1.011 61.317 62.300 0.048 0.000 0.967 1094 V CB 1.553 33.411 31.823 0.059 0.000 1.019 1094 V HN 0.259 nan 8.190 nan 0.000 0.459 1095 T N 2.750 117.331 114.554 0.046 0.000 2.769 1095 T HA 0.470 4.822 4.350 0.003 0.000 0.293 1095 T C 0.269 174.995 174.700 0.044 0.000 0.931 1095 T CA -0.143 61.983 62.100 0.043 0.000 1.139 1095 T CB -0.008 68.890 68.868 0.049 0.000 0.881 1095 T HN 1.105 nan 8.240 nan 0.000 0.532 1096 S N 1.822 117.542 115.700 0.033 0.000 2.607 1096 S HA 0.912 5.384 4.470 0.003 0.000 0.273 1096 S C 0.198 174.807 174.600 0.015 0.000 1.148 1096 S CA -0.332 57.882 58.200 0.024 0.000 0.833 1096 S CB 1.734 64.946 63.200 0.019 0.000 1.130 1096 S HN 1.647 nan 8.310 nan 0.000 0.470 1097 G N 0.427 109.230 108.800 0.005 0.000 2.693 1097 G HA2 -0.150 3.812 3.960 0.003 0.000 0.226 1097 G HA3 -0.150 3.812 3.960 0.003 0.000 0.226 1097 G C 0.535 175.438 174.900 0.006 0.000 1.354 1097 G CA -0.186 44.914 45.100 0.000 0.000 0.873 1097 G HN 1.591 nan 8.290 nan 0.000 0.562 1098 V N 2.711 122.629 119.914 0.006 0.000 2.277 1098 V HA -0.205 3.917 4.120 0.003 0.000 0.253 1098 V C 0.971 177.080 176.094 0.025 0.000 1.067 1098 V CA 3.421 65.729 62.300 0.012 0.000 1.047 1098 V CB -1.441 30.390 31.823 0.014 0.000 0.649 1098 V HN 0.786 nan 8.190 nan 0.000 0.447 1099 P HA -0.200 nan 4.420 nan 0.000 0.215 1099 P C 1.579 178.906 177.300 0.044 0.000 1.153 1099 P CA 1.649 64.771 63.100 0.036 0.000 0.853 1099 P CB -0.064 31.655 31.700 0.031 0.000 0.788 1100 R N 0.597 121.121 120.500 0.040 0.000 2.075 1100 R HA -0.097 4.245 4.340 0.003 0.000 0.230 1100 R C 2.452 178.783 176.300 0.051 0.000 1.140 1100 R CA 1.331 57.461 56.100 0.051 0.000 0.928 1100 R CB -1.872 28.455 30.300 0.046 0.000 0.834 1100 R HN 0.069 nan 8.270 nan 0.000 0.429 1101 L N 0.991 122.230 121.223 0.027 0.000 2.197 1101 L HA -0.211 4.130 4.340 0.003 0.000 0.215 1101 L C 2.202 179.091 176.870 0.033 0.000 1.095 1101 L CA 2.003 56.851 54.840 0.013 0.000 0.764 1101 L CB -0.335 41.718 42.059 -0.009 0.000 0.897 1101 L HN 0.286 nan 8.230 nan 0.000 0.436 1102 K N -0.622 119.809 120.400 0.051 0.000 2.031 1102 K HA -0.163 4.159 4.320 0.003 0.000 0.205 1102 K C 1.927 178.583 176.600 0.093 0.000 1.049 1102 K CA 1.470 57.802 56.287 0.074 0.000 0.939 1102 K CB -0.057 32.491 32.500 0.081 0.000 0.717 1102 K HN 0.440 nan 8.250 nan 0.000 0.438 1103 E N 0.856 121.114 120.200 0.096 0.000 2.021 1103 E HA -0.233 4.118 4.350 0.003 0.000 0.200 1103 E C 2.026 178.733 176.600 0.178 0.000 1.015 1103 E CA 1.801 58.275 56.400 0.123 0.000 0.824 1103 E CB -0.199 29.572 29.700 0.119 0.000 0.762 1103 E HN 0.268 nan 8.360 nan 0.000 0.454 1104 I N 0.691 121.370 120.570 0.183 0.000 2.093 1104 I HA -0.343 3.829 4.170 0.003 0.000 0.239 1104 I C 2.483 178.678 176.117 0.131 0.000 1.026 1104 I CA 1.594 62.997 61.300 0.171 0.000 1.295 1104 I CB -0.893 37.097 38.000 -0.016 0.000 1.007 1104 I HN 0.156 nan 8.210 nan 0.000 0.401 1105 L N 0.430 121.694 121.223 0.069 0.000 2.291 1105 L HA -0.080 4.261 4.340 0.003 0.000 0.214 1105 L C 2.084 179.021 176.870 0.112 0.000 1.120 1105 L CA 1.100 55.975 54.840 0.057 0.000 0.799 1105 L CB -0.765 41.303 42.059 0.015 0.000 0.925 1105 L HN 0.274 nan 8.230 nan 0.000 0.446 1106 N N -0.179 118.604 118.700 0.138 0.000 2.515 1106 N HA -0.029 4.713 4.740 0.003 0.000 0.185 1106 N C 0.309 175.916 175.510 0.161 0.000 1.109 1106 N CA 0.375 53.518 53.050 0.154 0.000 0.903 1106 N CB 0.393 38.966 38.487 0.143 0.000 0.969 1106 N HN 0.019 nan 8.380 nan 0.000 0.450 1107 V N 0.765 120.803 119.914 0.206 0.000 5.949 1107 V HA -0.275 3.847 4.120 0.003 0.000 0.287 1107 V C 0.463 176.621 176.094 0.106 0.000 0.603 1107 V CA 0.434 62.866 62.300 0.221 0.000 0.608 1107 V CB -2.568 29.363 31.823 0.181 0.000 0.259 1107 V HN 0.373 nan 8.190 nan 0.000 0.742 1108 A N 2.412 125.294 122.820 0.104 0.000 2.444 1108 A HA 0.361 4.683 4.320 0.003 0.000 0.287 1108 A C 1.423 178.986 177.584 -0.035 0.000 1.195 1108 A CA -0.053 52.009 52.037 0.043 0.000 0.858 1108 A CB 0.262 19.301 19.000 0.065 0.000 1.117 1108 A HN 0.481 nan 8.150 nan 0.000 0.521 1109 K N 1.791 122.169 120.400 -0.037 0.000 2.152 1109 K HA -0.103 4.218 4.320 0.003 0.000 0.206 1109 K C 0.169 176.736 176.600 -0.054 0.000 1.048 1109 K CA 1.151 57.401 56.287 -0.062 0.000 0.933 1109 K CB -0.020 32.453 32.500 -0.044 0.000 0.721 1109 K HN 0.842 nan 8.250 nan 0.000 0.447 1110 N N 1.800 120.483 118.700 -0.029 0.000 3.025 1110 N HA 0.093 4.834 4.740 0.003 0.000 0.315 1110 N C -0.020 175.483 175.510 -0.011 0.000 1.511 1110 N CA -0.108 52.930 53.050 -0.019 0.000 1.097 1110 N CB 0.241 38.723 38.487 -0.007 0.000 1.395 1110 N HN 0.204 nan 8.380 nan 0.000 0.511 1111 M N -1.471 118.116 119.600 -0.023 0.000 2.216 1111 M HA 0.343 4.825 4.480 0.003 0.000 0.356 1111 M C 0.491 176.790 176.300 -0.003 0.000 1.205 1111 M CA -0.351 54.944 55.300 -0.009 0.000 1.122 1111 M CB 1.873 34.461 32.600 -0.021 0.000 1.571 1111 M HN -0.217 nan 8.290 nan 0.000 0.464 1112 K N 1.158 121.565 120.400 0.012 0.000 2.167 1112 K HA 0.086 4.408 4.320 0.003 0.000 0.203 1112 K C -0.108 176.499 176.600 0.012 0.000 1.052 1112 K CA 1.010 57.304 56.287 0.012 0.000 0.956 1112 K CB 0.378 32.890 32.500 0.019 0.000 0.735 1112 K HN 0.814 nan 8.250 nan 0.000 0.451 1113 T N 3.223 117.788 114.554 0.019 0.000 3.150 1113 T HA 0.253 4.604 4.350 0.003 0.000 0.383 1113 T C -2.755 171.953 174.700 0.013 0.000 1.313 1113 T CA -1.574 60.537 62.100 0.019 0.000 1.235 1113 T CB 1.483 70.369 68.868 0.031 0.000 1.088 1113 T HN -0.042 nan 8.240 nan 0.000 0.556 1114 P HA 0.527 nan 4.420 nan 0.000 0.282 1114 P C -0.581 176.709 177.300 -0.017 0.000 1.249 1114 P CA -0.445 62.640 63.100 -0.024 0.000 0.806 1114 P CB 1.282 32.954 31.700 -0.046 0.000 0.984 1115 S N 2.499 118.185 115.700 -0.023 0.000 2.570 1115 S HA 0.364 4.836 4.470 0.003 0.000 0.286 1115 S C -1.187 173.396 174.600 -0.028 0.000 1.143 1115 S CA -0.730 57.464 58.200 -0.011 0.000 0.921 1115 S CB 0.194 63.409 63.200 0.026 0.000 1.108 1115 S HN 0.109 nan 8.310 nan 0.000 0.456 1116 L N 2.973 124.175 121.223 -0.036 0.000 2.456 1116 L HA 0.632 4.974 4.340 0.003 0.000 0.257 1116 L C 0.547 177.400 176.870 -0.029 0.000 1.162 1116 L CA 0.013 54.823 54.840 -0.050 0.000 0.808 1116 L CB 1.207 43.231 42.059 -0.058 0.000 1.136 1116 L HN 0.864 nan 8.230 nan 0.000 0.466 1117 T N 1.204 115.722 114.554 -0.061 0.000 3.103 1117 T HA 0.355 4.707 4.350 0.003 0.000 0.352 1117 T C -0.288 174.211 174.700 -0.335 0.000 1.048 1117 T CA -0.450 61.576 62.100 -0.124 0.000 1.175 1117 T CB 0.945 69.805 68.868 -0.014 0.000 1.029 1117 T HN 0.326 nan 8.240 nan 0.000 0.498 1118 V N 1.602 121.363 119.914 -0.255 0.000 2.732 1118 V HA 0.596 4.718 4.120 0.003 0.000 0.297 1118 V C -0.622 175.324 176.094 -0.246 0.000 1.060 1118 V CA -0.755 61.410 62.300 -0.224 0.000 1.038 1118 V CB 0.212 31.985 31.823 -0.083 0.000 1.003 1118 V HN 0.717 nan 8.190 nan 0.000 0.481 1119 Y N 2.258 122.566 120.300 0.014 0.000 2.429 1119 Y HA 0.625 5.177 4.550 0.003 0.000 0.342 1119 Y C 0.074 175.988 175.900 0.025 0.000 1.004 1119 Y CA -1.181 56.928 58.100 0.014 0.000 1.075 1119 Y CB 2.036 40.514 38.460 0.031 0.000 1.214 1119 Y HN 0.491 nan 8.280 nan 0.000 0.455 1120 L N 1.823 123.182 121.223 0.228 0.000 2.466 1120 L HA 0.101 4.443 4.340 0.003 0.000 0.257 1120 L C 0.374 177.319 176.870 0.126 0.000 1.189 1120 L CA 0.071 54.999 54.840 0.146 0.000 0.813 1120 L CB 0.406 42.565 42.059 0.167 0.000 1.118 1120 L HN 0.591 nan 8.230 nan 0.000 0.471 1121 E N 3.131 123.389 120.200 0.095 0.000 2.376 1121 E HA 0.020 4.372 4.350 0.003 0.000 0.266 1121 E C -1.609 175.096 176.600 0.174 0.000 1.009 1121 E CA -1.310 55.156 56.400 0.110 0.000 0.902 1121 E CB 0.837 30.564 29.700 0.046 0.000 0.972 1121 E HN 0.329 nan 8.360 nan 0.000 0.439 1122 P HA -0.323 nan 4.420 nan 0.000 0.223 1122 P C 1.044 178.383 177.300 0.065 0.000 1.073 1122 P CA 2.270 65.412 63.100 0.069 0.000 1.008 1122 P CB -0.160 31.571 31.700 0.051 0.000 0.760 1123 G N -0.672 108.168 108.800 0.067 0.000 2.453 1123 G HA2 -0.183 3.778 3.960 0.003 0.000 0.215 1123 G HA3 -0.183 3.778 3.960 0.003 0.000 0.215 1123 G C 0.493 175.368 174.900 -0.041 0.000 1.201 1123 G CA 0.462 45.542 45.100 -0.033 0.000 0.784 1123 G HN 0.420 nan 8.290 nan 0.000 0.545 1124 H N 0.867 119.955 119.070 0.032 0.000 3.145 1124 H HA 0.342 4.900 4.556 0.003 0.000 0.288 1124 H C 0.794 176.162 175.328 0.065 0.000 0.969 1124 H CA 0.427 56.505 56.048 0.050 0.000 1.444 1124 H CB 0.773 30.565 29.762 0.050 0.000 1.500 1124 H HN 0.344 nan 8.280 nan 0.000 0.552 1125 A N 3.009 125.929 122.820 0.167 0.000 1.535 1125 A HA 0.310 4.631 4.320 0.003 0.000 0.215 1125 A C 1.568 179.243 177.584 0.151 0.000 1.813 1125 A CA 0.429 52.547 52.037 0.134 0.000 1.373 1125 A CB -0.372 18.659 19.000 0.052 0.000 1.304 1125 A HN 0.582 nan 8.150 nan 0.000 0.391 1126 A N 0.070 122.957 122.820 0.111 0.000 2.337 1126 A HA 0.271 4.593 4.320 0.003 0.000 0.227 1126 A C 0.344 178.102 177.584 0.291 0.000 1.259 1126 A CA 0.415 52.528 52.037 0.126 0.000 0.870 1126 A CB -0.404 18.611 19.000 0.026 0.000 0.927 1126 A HN 0.284 nan 8.150 nan 0.000 0.497 1127 D N 1.112 121.685 120.400 0.288 0.000 2.597 1127 D HA 0.023 4.665 4.640 0.003 0.000 0.228 1127 D C 1.487 177.913 176.300 0.211 0.000 1.120 1127 D CA 0.144 54.281 54.000 0.228 0.000 1.083 1127 D CB 0.187 41.122 40.800 0.225 0.000 1.116 1127 D HN 0.679 nan 8.370 nan 0.000 0.487 1128 Q N 0.725 120.660 119.800 0.225 0.000 2.364 1128 Q HA -0.152 4.189 4.340 0.003 0.000 0.209 1128 Q C 1.477 177.381 176.000 -0.160 0.000 0.977 1128 Q CA 1.325 57.104 55.803 -0.040 0.000 0.885 1128 Q CB 0.084 28.923 28.738 0.169 0.000 0.941 1128 Q HN 0.405 nan 8.270 nan 0.000 0.464 1129 E N 0.027 120.203 120.200 -0.040 0.000 2.140 1129 E HA -0.196 4.156 4.350 0.003 0.000 0.191 1129 E C 1.951 178.522 176.600 -0.047 0.000 0.973 1129 E CA 0.702 57.071 56.400 -0.052 0.000 0.829 1129 E CB 0.078 29.771 29.700 -0.011 0.000 0.781 1129 E HN 0.542 nan 8.360 nan 0.000 0.466 1130 Q N 0.877 120.677 119.800 0.000 0.000 2.135 1130 Q HA -0.163 4.178 4.340 0.003 0.000 0.204 1130 Q C 1.862 177.835 176.000 -0.045 0.000 0.981 1130 Q CA 1.954 57.758 55.803 0.001 0.000 0.856 1130 Q CB -0.317 28.462 28.738 0.068 0.000 0.902 1130 Q HN 0.308 nan 8.270 nan 0.000 0.425 1131 A N 0.624 123.393 122.820 -0.085 0.000 1.884 1131 A HA -0.318 4.004 4.320 0.003 0.000 0.219 1131 A C 2.003 179.491 177.584 -0.161 0.000 1.197 1131 A CA 2.159 54.100 52.037 -0.160 0.000 0.637 1131 A CB -0.649 18.114 19.000 -0.395 0.000 0.827 1131 A HN 0.415 nan 8.150 nan 0.000 0.450 1132 K N -0.283 120.013 120.400 -0.174 0.000 2.020 1132 K HA -0.091 4.231 4.320 0.003 0.000 0.212 1132 K C 1.890 178.428 176.600 -0.105 0.000 1.050 1132 K CA 1.540 57.736 56.287 -0.152 0.000 0.929 1132 K CB -0.560 31.856 32.500 -0.140 0.000 0.714 1132 K HN 0.475 nan 8.250 nan 0.000 0.443 1133 L N 0.420 121.595 121.223 -0.081 0.000 2.013 1133 L HA -0.255 4.087 4.340 0.003 0.000 0.212 1133 L C 2.210 179.048 176.870 -0.053 0.000 1.073 1133 L CA 1.488 56.291 54.840 -0.061 0.000 0.753 1133 L CB -0.372 41.656 42.059 -0.051 0.000 0.890 1133 L HN 0.226 nan 8.230 nan 0.000 0.432 1134 I N -0.931 119.607 120.570 -0.053 0.000 2.163 1134 I HA -0.297 3.874 4.170 0.003 0.000 0.240 1134 I C 2.715 178.812 176.117 -0.033 0.000 1.081 1134 I CA 1.148 62.424 61.300 -0.040 0.000 1.353 1134 I CB -0.497 37.483 38.000 -0.034 0.000 1.054 1134 I HN 0.201 nan 8.210 nan 0.000 0.407 1135 R N 1.580 122.055 120.500 -0.043 0.000 2.113 1135 R HA -0.221 4.120 4.340 0.003 0.000 0.244 1135 R C 2.050 178.341 176.300 -0.014 0.000 1.142 1135 R CA 2.297 58.381 56.100 -0.027 0.000 0.953 1135 R CB -0.359 29.906 30.300 -0.059 0.000 0.860 1135 R HN 0.506 nan 8.270 nan 0.000 0.438 1136 S N -1.496 114.181 115.700 -0.038 0.000 2.671 1136 S HA 0.261 4.732 4.470 0.003 0.000 0.220 1136 S C 0.965 175.550 174.600 -0.024 0.000 0.951 1136 S CA 0.102 58.283 58.200 -0.030 0.000 0.932 1136 S CB 1.132 64.302 63.200 -0.051 0.000 0.777 1136 S HN 0.454 nan 8.310 nan 0.000 0.508 1137 A N 0.306 123.114 122.820 -0.020 0.000 2.551 1137 A HA 0.524 4.846 4.320 0.003 0.000 0.252 1137 A C 1.266 178.848 177.584 -0.004 0.000 1.199 1137 A CA -0.220 51.808 52.037 -0.015 0.000 0.972 1137 A CB 0.133 19.120 19.000 -0.023 0.000 1.153 1137 A HN 0.454 nan 8.150 nan 0.000 0.559 1138 I N -0.484 120.088 120.570 0.002 0.000 3.136 1138 I HA 0.125 4.297 4.170 0.003 0.000 0.262 1138 I C 0.923 177.061 176.117 0.035 0.000 1.132 1138 I CA 0.303 61.610 61.300 0.011 0.000 1.450 1138 I CB -1.254 36.747 38.000 0.002 0.000 1.315 1138 I HN 0.361 nan 8.210 nan 0.000 0.460 1139 E N 1.962 122.187 120.200 0.042 0.000 2.652 1139 E HA -0.188 4.163 4.350 0.003 0.000 0.255 1139 E C -0.065 176.588 176.600 0.089 0.000 0.952 1139 E CA 0.339 56.778 56.400 0.065 0.000 0.947 1139 E CB 0.140 29.884 29.700 0.073 0.000 0.912 1139 E HN 0.138 nan 8.360 nan 0.000 0.489 1140 H N 2.656 121.719 119.070 -0.011 0.000 2.790 1140 H HA 0.204 4.762 4.556 0.003 0.000 0.358 1140 H C -0.906 174.414 175.328 -0.013 0.000 1.103 1140 H CA 0.417 56.456 56.048 -0.015 0.000 1.426 1140 H CB 0.774 30.525 29.762 -0.019 0.000 1.424 1140 H HN 0.366 nan 8.280 nan 0.000 0.599 1141 T N 4.352 118.637 114.554 -0.448 0.000 3.071 1141 T HA 0.325 4.677 4.350 0.003 0.000 0.311 1141 T C -0.705 173.724 174.700 -0.450 0.000 1.042 1141 T CA -0.803 61.099 62.100 -0.330 0.000 1.028 1141 T CB 1.029 69.805 68.868 -0.154 0.000 1.068 1141 T HN 0.730 nan 8.240 nan 0.000 0.451 1142 T N 0.761 115.118 114.554 -0.329 0.000 2.948 1142 T HA 0.553 4.904 4.350 0.003 0.000 0.285 1142 T C 1.149 175.781 174.700 -0.113 0.000 1.019 1142 T CA -0.899 61.077 62.100 -0.208 0.000 1.013 1142 T CB 1.198 69.985 68.868 -0.135 0.000 1.117 1142 T HN 0.237 nan 8.240 nan 0.000 0.533 1143 L N 0.688 121.870 121.223 -0.068 0.000 2.093 1143 L HA 0.134 4.475 4.340 0.003 0.000 0.208 1143 L C 2.520 179.371 176.870 -0.032 0.000 1.085 1143 L CA 1.742 56.557 54.840 -0.041 0.000 0.755 1143 L CB -1.023 41.028 42.059 -0.013 0.000 0.904 1143 L HN 0.861 nan 8.230 nan 0.000 0.435 1144 K N -0.424 119.960 120.400 -0.027 0.000 2.074 1144 K HA -0.183 4.139 4.320 0.003 0.000 0.209 1144 K C 1.687 178.273 176.600 -0.024 0.000 1.048 1144 K CA 1.710 57.987 56.287 -0.017 0.000 0.926 1144 K CB -0.245 32.249 32.500 -0.009 0.000 0.713 1144 K HN 0.561 nan 8.250 nan 0.000 0.444 1145 S N -0.285 115.391 115.700 -0.041 0.000 2.786 1145 S HA 0.021 4.493 4.470 0.003 0.000 0.223 1145 S C 1.064 175.643 174.600 -0.036 0.000 0.956 1145 S CA 0.420 58.597 58.200 -0.040 0.000 0.961 1145 S CB 0.105 63.270 63.200 -0.058 0.000 0.784 1145 S HN 0.274 nan 8.310 nan 0.000 0.519 1146 V N -4.679 115.215 119.914 -0.032 0.000 3.363 1146 V HA 0.314 4.435 4.120 0.003 0.000 0.270 1146 V C 0.194 176.275 176.094 -0.021 0.000 1.667 1146 V CA -0.234 62.049 62.300 -0.029 0.000 1.034 1146 V CB -0.430 31.369 31.823 -0.040 0.000 0.857 1146 V HN 0.271 nan 8.190 nan 0.000 0.410 1147 T N 3.466 118.010 114.554 -0.016 0.000 2.749 1147 T HA 0.517 4.868 4.350 0.003 0.000 0.295 1147 T C 1.414 176.112 174.700 -0.003 0.000 0.936 1147 T CA -0.127 61.967 62.100 -0.009 0.000 1.060 1147 T CB 1.414 70.279 68.868 -0.005 0.000 0.904 1147 T HN 0.109 nan 8.240 nan 0.000 0.500 1148 I N 1.814 122.384 120.570 0.000 0.000 2.072 1148 I HA 0.027 4.199 4.170 0.003 0.000 0.235 1148 I C 1.352 177.476 176.117 0.011 0.000 1.058 1148 I CA 0.973 62.276 61.300 0.005 0.000 1.320 1148 I CB -0.728 37.276 38.000 0.007 0.000 1.047 1148 I HN 0.560 nan 8.210 nan 0.000 0.397 1149 A N 0.441 123.270 122.820 0.015 0.000 2.435 1149 A HA 0.578 4.899 4.320 0.003 0.000 0.304 1149 A C -0.091 177.509 177.584 0.026 0.000 1.064 1149 A CA -0.369 51.683 52.037 0.025 0.000 0.727 1149 A CB 1.500 20.522 19.000 0.036 0.000 1.284 1149 A HN 0.363 nan 8.150 nan 0.000 0.415 1150 S N 0.919 116.639 115.700 0.033 0.000 2.722 1150 S HA 0.879 5.351 4.470 0.003 0.000 0.292 1150 S C -0.490 174.153 174.600 0.071 0.000 1.135 1150 S CA -0.506 57.717 58.200 0.038 0.000 1.003 1150 S CB 1.529 64.746 63.200 0.029 0.000 1.067 1150 S HN 0.725 nan 8.310 nan 0.000 0.546 1151 E N -0.305 119.952 120.200 0.095 0.000 2.451 1151 E HA 0.322 4.674 4.350 0.003 0.000 0.295 1151 E C -1.817 174.921 176.600 0.231 0.000 0.966 1151 E CA -0.351 56.165 56.400 0.193 0.000 0.808 1151 E CB 1.590 31.468 29.700 0.297 0.000 1.242 1151 E HN 0.610 nan 8.360 nan 0.000 0.412 1152 I N 3.609 124.332 120.570 0.256 0.000 2.307 1152 I HA 0.276 4.448 4.170 0.003 0.000 0.289 1152 I C -0.739 175.649 176.117 0.453 0.000 1.021 1152 I CA -0.291 61.190 61.300 0.301 0.000 1.224 1152 I CB 0.127 38.234 38.000 0.179 0.000 1.376 1152 I HN 0.366 nan 8.210 nan 0.000 0.470 1153 Y N 4.893 125.317 120.300 0.206 0.000 2.480 1153 Y HA 0.337 4.888 4.550 0.003 0.000 0.323 1153 Y C -0.441 175.648 175.900 0.316 0.000 1.267 1153 Y CA -0.931 57.295 58.100 0.211 0.000 1.336 1153 Y CB 0.839 39.361 38.460 0.104 0.000 1.361 1153 Y HN 0.397 nan 8.280 nan 0.000 0.518 1154 Y N 1.794 122.190 120.300 0.160 0.000 2.402 1154 Y HA 0.374 4.926 4.550 0.003 0.000 0.332 1154 Y C -1.233 174.598 175.900 -0.114 0.000 0.960 1154 Y CA -0.900 57.085 58.100 -0.192 0.000 1.228 1154 Y CB 0.594 38.827 38.460 -0.379 0.000 1.120 1154 Y HN 0.525 nan 8.280 nan 0.000 0.491 1155 D N 8.603 128.725 120.400 -0.465 0.000 2.440 1155 D HA 0.349 4.991 4.640 0.003 0.000 0.252 1155 D C -2.264 173.699 176.300 -0.562 0.000 1.180 1155 D CA -2.246 51.539 54.000 -0.359 0.000 0.894 1155 D CB 2.035 42.766 40.800 -0.114 0.000 1.111 1155 D HN 0.280 nan 8.370 nan 0.000 0.544 1156 P HA 0.091 nan 4.420 nan 0.000 0.228 1156 P C -0.036 177.091 177.300 -0.289 0.000 1.166 1156 P CA 0.145 62.897 63.100 -0.580 0.000 0.812 1156 P CB 0.471 31.858 31.700 -0.521 0.000 0.857 1157 D N 0.957 121.234 120.400 -0.205 0.000 2.453 1157 D HA 0.144 4.786 4.640 0.003 0.000 0.223 1157 D C -1.549 174.676 176.300 -0.124 0.000 1.183 1157 D CA -2.213 51.706 54.000 -0.134 0.000 0.933 1157 D CB 0.672 41.417 40.800 -0.092 0.000 1.038 1157 D HN -0.027 nan 8.370 nan 0.000 0.513 1158 P HA -0.152 nan 4.420 nan 0.000 0.219 1158 P C 1.067 178.318 177.300 -0.082 0.000 1.146 1158 P CA 0.762 63.795 63.100 -0.112 0.000 0.808 1158 P CB 0.243 31.858 31.700 -0.142 0.000 0.779 1159 R N -0.246 120.203 120.500 -0.086 0.000 2.235 1159 R HA 0.108 4.449 4.340 0.003 0.000 0.213 1159 R C 0.701 176.974 176.300 -0.045 0.000 1.059 1159 R CA 0.826 56.884 56.100 -0.070 0.000 0.997 1159 R CB -0.736 29.514 30.300 -0.083 0.000 0.884 1159 R HN 0.323 nan 8.270 nan 0.000 0.462 1160 S N -0.670 115.003 115.700 -0.046 0.000 2.543 1160 S HA 0.374 4.846 4.470 0.003 0.000 0.271 1160 S C -0.422 174.158 174.600 -0.034 0.000 1.148 1160 S CA -0.948 57.234 58.200 -0.031 0.000 0.914 1160 S CB 2.374 65.559 63.200 -0.025 0.000 1.096 1160 S HN -0.041 nan 8.310 nan 0.000 0.471 1161 T N 1.818 116.360 114.554 -0.021 0.000 2.849 1161 T HA 0.372 4.724 4.350 0.003 0.000 0.284 1161 T C 1.552 176.253 174.700 0.002 0.000 1.004 1161 T CA -0.682 61.409 62.100 -0.016 0.000 1.021 1161 T CB 1.005 69.865 68.868 -0.013 0.000 1.013 1161 T HN 0.528 nan 8.240 nan 0.000 0.527 1162 V N 0.357 120.287 119.914 0.026 0.000 2.535 1162 V HA 0.067 4.189 4.120 0.003 0.000 0.246 1162 V C 1.056 177.190 176.094 0.067 0.000 1.045 1162 V CA 0.908 63.241 62.300 0.055 0.000 1.058 1162 V CB -0.634 31.247 31.823 0.097 0.000 0.689 1162 V HN 0.681 nan 8.190 nan 0.000 0.461 1163 I N 2.926 123.539 120.570 0.072 0.000 2.598 1163 I HA 0.070 4.242 4.170 0.003 0.000 0.284 1163 I C -0.903 175.231 176.117 0.029 0.000 1.140 1163 I CA -0.935 60.402 61.300 0.061 0.000 1.420 1163 I CB 0.520 38.525 38.000 0.008 0.000 1.387 1163 I HN 0.136 nan 8.210 nan 0.000 0.553 1164 P HA -0.044 nan 4.420 nan 0.000 0.231 1164 P C 0.780 178.088 177.300 0.014 0.000 1.168 1164 P CA 0.952 64.065 63.100 0.022 0.000 0.779 1164 P CB 0.272 31.987 31.700 0.026 0.000 0.844 1165 E N 0.200 120.408 120.200 0.012 0.000 2.285 1165 E HA -0.079 4.272 4.350 0.003 0.000 0.194 1165 E C 0.468 177.068 176.600 -0.000 0.000 0.997 1165 E CA 0.708 57.112 56.400 0.006 0.000 0.845 1165 E CB -0.417 29.286 29.700 0.005 0.000 0.782 1165 E HN 0.228 nan 8.360 nan 0.000 0.491 1166 D N 0.474 120.869 120.400 -0.007 0.000 2.434 1166 D HA -0.014 4.627 4.640 0.003 0.000 0.232 1166 D C 0.966 177.264 176.300 -0.004 0.000 1.166 1166 D CA 0.177 54.169 54.000 -0.013 0.000 0.830 1166 D CB 0.151 40.930 40.800 -0.034 0.000 0.960 1166 D HN 0.227 nan 8.370 nan 0.000 0.497 1167 E N 0.602 120.804 120.200 0.002 0.000 2.057 1167 E HA -0.115 4.236 4.350 0.003 0.000 0.190 1167 E C 1.649 178.254 176.600 0.008 0.000 0.969 1167 E CA 0.295 56.699 56.400 0.005 0.000 0.812 1167 E CB 0.276 29.980 29.700 0.007 0.000 0.777 1167 E HN 0.172 nan 8.360 nan 0.000 0.455 1168 E N 0.586 120.790 120.200 0.007 0.000 2.077 1168 E HA -0.198 4.154 4.350 0.003 0.000 0.193 1168 E C 2.082 178.685 176.600 0.004 0.000 0.989 1168 E CA 1.178 57.582 56.400 0.006 0.000 0.800 1168 E CB -0.072 29.630 29.700 0.004 0.000 0.746 1168 E HN 0.283 nan 8.360 nan 0.000 0.452 1169 I N 1.066 121.639 120.570 0.004 0.000 2.614 1169 I HA -0.234 3.938 4.170 0.003 0.000 0.258 1169 I C 2.221 178.343 176.117 0.009 0.000 1.189 1169 I CA 0.456 61.756 61.300 0.000 0.000 1.462 1169 I CB -0.124 37.878 38.000 0.003 0.000 1.092 1169 I HN 0.229 nan 8.210 nan 0.000 0.442 1170 I N 0.248 120.828 120.570 0.018 0.000 2.406 1170 I HA -0.171 4.001 4.170 0.003 0.000 0.249 1170 I C 2.278 178.431 176.117 0.060 0.000 1.122 1170 I CA 1.319 62.640 61.300 0.035 0.000 1.431 1170 I CB -0.869 37.143 38.000 0.019 0.000 1.087 1170 I HN 0.357 nan 8.210 nan 0.000 0.424 1171 Q N 0.457 120.286 119.800 0.047 0.000 2.515 1171 Q HA -0.085 4.257 4.340 0.003 0.000 0.215 1171 Q C -0.151 175.906 176.000 0.094 0.000 0.983 1171 Q CA 0.720 56.563 55.803 0.067 0.000 0.905 1171 Q CB -0.085 28.676 28.738 0.037 0.000 0.961 1171 Q HN 0.419 nan 8.270 nan 0.000 0.503 1172 L N 0.235 121.496 121.223 0.063 0.000 2.485 1172 L HA 0.423 4.765 4.340 0.003 0.000 0.260 1172 L C -0.758 176.134 176.870 0.036 0.000 0.998 1172 L CA -0.486 54.352 54.840 -0.004 0.000 0.883 1172 L CB 1.222 43.212 42.059 -0.116 0.000 1.196 1172 L HN -0.016 nan 8.230 nan 0.000 0.443 1173 H N 5.217 124.374 119.070 0.146 0.000 3.022 1173 H HA 0.250 4.808 4.556 0.003 0.000 0.307 1173 H C -1.170 174.368 175.328 0.350 0.000 1.490 1173 H CA -0.407 55.713 56.048 0.120 0.000 1.584 1173 H CB 1.068 30.841 29.762 0.019 0.000 2.045 1173 H HN 0.684 nan 8.280 nan 0.000 0.672 1174 F N 0.885 120.883 119.950 0.080 0.000 2.560 1174 F HA 0.344 4.873 4.527 0.003 0.000 0.340 1174 F C -1.133 174.674 175.800 0.012 0.000 1.290 1174 F CA -0.443 57.603 58.000 0.078 0.000 0.986 1174 F CB -0.090 38.938 39.000 0.046 0.000 1.428 1174 F HN 0.127 nan 8.300 nan 0.000 0.496 1175 S N 2.106 117.637 115.700 -0.281 0.000 2.707 1175 S HA 0.707 5.178 4.470 0.003 0.000 0.303 1175 S C -0.868 173.612 174.600 -0.200 0.000 1.132 1175 S CA -0.510 57.479 58.200 -0.353 0.000 1.046 1175 S CB 1.426 64.342 63.200 -0.474 0.000 1.004 1175 S HN 0.552 nan 8.310 nan 0.000 0.483 1188 Q N 0.788 120.535 119.800 -0.088 0.000 2.193 1188 Q HA 0.694 5.036 4.340 0.003 0.000 0.246 1188 Q C -0.756 175.219 176.000 -0.041 0.000 0.959 1188 Q CA -0.537 55.222 55.803 -0.073 0.000 0.904 1188 Q CB 1.860 30.522 28.738 -0.126 0.000 1.238 1188 Q HN 0.102 nan 8.270 nan 0.000 0.469 1189 S N 0.446 116.143 115.700 -0.005 0.000 2.475 1189 S HA 0.407 4.879 4.470 0.003 0.000 0.298 1189 S C -2.229 172.341 174.600 -0.050 0.000 1.119 1189 S CA -1.824 56.391 58.200 0.025 0.000 1.085 1189 S CB 0.791 64.070 63.200 0.131 0.000 1.028 1189 S HN 0.330 nan 8.310 nan 0.000 0.489 1190 P HA 0.200 nan 4.420 nan 0.000 0.255 1190 P C -1.037 175.876 177.300 -0.646 0.000 1.357 1190 P CA 0.121 62.914 63.100 -0.512 0.000 0.839 1190 P CB -0.258 30.986 31.700 -0.759 0.000 1.356 1191 W N 1.030 122.301 121.300 -0.049 0.000 2.289 1191 W HA 0.377 5.038 4.660 0.003 0.000 0.342 1191 W C 0.002 176.532 176.519 0.019 0.000 0.958 1191 W CA -0.971 56.389 57.345 0.025 0.000 1.492 1191 W CB 0.321 29.824 29.460 0.072 0.000 1.336 1191 W HN -0.110 nan 8.180 nan 0.000 0.371 1192 L N 5.098 126.432 121.223 0.184 0.000 2.331 1192 L HA 0.377 4.718 4.340 0.003 0.000 0.278 1192 L C -0.412 176.540 176.870 0.137 0.000 1.106 1192 L CA -0.334 54.570 54.840 0.106 0.000 0.824 1192 L CB 0.467 42.547 42.059 0.036 0.000 1.142 1192 L HN 0.288 nan 8.230 nan 0.000 0.443 1193 L N 6.245 127.508 121.223 0.067 0.000 2.417 1193 L HA 0.421 4.762 4.340 0.003 0.000 0.258 1193 L C -0.183 176.684 176.870 -0.005 0.000 1.088 1193 L CA -0.113 54.756 54.840 0.050 0.000 0.975 1193 L CB -0.084 41.987 42.059 0.021 0.000 1.341 1193 L HN 0.772 nan 8.230 nan 0.000 0.431 1194 R N 4.525 124.998 120.500 -0.045 0.000 2.308 1194 R HA 0.404 4.745 4.340 0.003 0.000 0.325 1194 R C -1.037 175.226 176.300 -0.061 0.000 1.161 1194 R CA -0.386 55.647 56.100 -0.113 0.000 1.022 1194 R CB 0.077 30.191 30.300 -0.310 0.000 1.091 1194 R HN 0.615 nan 8.270 nan 0.000 0.497 1195 L N 3.077 124.283 121.223 -0.028 0.000 2.326 1195 L HA 0.320 4.661 4.340 0.003 0.000 0.278 1195 L C 0.382 177.246 176.870 -0.009 0.000 1.092 1195 L CA -0.034 54.800 54.840 -0.009 0.000 0.810 1195 L CB 1.259 43.317 42.059 -0.002 0.000 1.153 1195 L HN 0.573 nan 8.230 nan 0.000 0.439 1196 E N 4.091 124.289 120.200 -0.004 0.000 2.210 1196 E HA 0.568 4.920 4.350 0.003 0.000 0.266 1196 E C -1.567 175.032 176.600 -0.001 0.000 0.883 1196 E CA -0.633 55.766 56.400 -0.002 0.000 0.761 1196 E CB 1.650 31.350 29.700 0.001 0.000 1.156 1196 E HN 0.450 nan 8.360 nan 0.000 0.412 1197 L N 2.205 123.425 121.223 -0.004 0.000 2.319 1197 L HA 0.438 4.780 4.340 0.003 0.000 0.267 1197 L C 0.121 176.986 176.870 -0.009 0.000 1.011 1197 L CA -1.073 53.761 54.840 -0.010 0.000 0.818 1197 L CB 1.460 43.507 42.059 -0.020 0.000 1.316 1197 L HN 0.461 nan 8.230 nan 0.000 0.432 1198 D N 0.748 121.141 120.400 -0.011 0.000 2.316 1198 D HA 0.091 4.733 4.640 0.003 0.000 0.245 1198 D C 0.941 177.234 176.300 -0.012 0.000 1.171 1198 D CA -0.060 53.935 54.000 -0.009 0.000 0.856 1198 D CB 1.355 42.150 40.800 -0.009 0.000 1.090 1198 D HN 0.446 nan 8.370 nan 0.000 0.476 1199 R N 2.907 123.402 120.500 -0.009 0.000 2.185 1199 R HA -0.220 4.121 4.340 0.003 0.000 0.247 1199 R C 1.650 177.944 176.300 -0.011 0.000 1.159 1199 R CA 1.840 57.935 56.100 -0.010 0.000 0.988 1199 R CB 0.173 30.470 30.300 -0.006 0.000 0.871 1199 R HN 0.496 nan 8.270 nan 0.000 0.458 1200 A N -0.184 122.630 122.820 -0.009 0.000 1.903 1200 A HA 0.122 4.444 4.320 0.003 0.000 0.213 1200 A C 2.087 179.666 177.584 -0.008 0.000 1.185 1200 A CA 0.958 52.991 52.037 -0.008 0.000 0.628 1200 A CB -0.360 18.637 19.000 -0.005 0.000 0.830 1200 A HN 0.402 nan 8.150 nan 0.000 0.446 1201 A N -1.099 121.715 122.820 -0.010 0.000 2.235 1201 A HA 0.161 4.483 4.320 0.003 0.000 0.208 1201 A C 1.767 179.341 177.584 -0.018 0.000 1.172 1201 A CA 0.940 52.971 52.037 -0.010 0.000 0.786 1201 A CB -0.390 18.602 19.000 -0.013 0.000 0.804 1201 A HN 0.401 nan 8.150 nan 0.000 0.479 1202 M N -0.030 119.556 119.600 -0.022 0.000 2.510 1202 M HA 0.062 4.544 4.480 0.003 0.000 0.256 1202 M C 0.561 176.842 176.300 -0.031 0.000 1.132 1202 M CA 0.627 55.908 55.300 -0.032 0.000 1.105 1202 M CB -0.712 31.866 32.600 -0.036 0.000 1.375 1202 M HN 0.420 nan 8.290 nan 0.000 0.477 1203 N N -0.258 118.428 118.700 -0.025 0.000 2.250 1203 N HA -0.038 4.703 4.740 0.003 0.000 0.190 1203 N C 1.220 176.713 175.510 -0.029 0.000 1.116 1203 N CA 0.322 53.355 53.050 -0.028 0.000 0.881 1203 N CB 0.224 38.696 38.487 -0.024 0.000 1.006 1203 N HN 0.407 nan 8.380 nan 0.000 0.491 1204 D N 1.145 121.537 120.400 -0.013 0.000 2.194 1204 D HA -0.030 4.611 4.640 0.003 0.000 0.204 1204 D C 0.008 176.308 176.300 0.000 0.000 0.964 1204 D CA 0.820 54.822 54.000 0.004 0.000 0.846 1204 D CB 0.578 41.406 40.800 0.046 0.000 0.962 1204 D HN 0.193 nan 8.370 nan 0.000 0.490 1205 K N 0.360 120.757 120.400 -0.006 0.000 2.211 1205 K HA 0.246 4.568 4.320 0.003 0.000 0.237 1205 K C -0.788 175.789 176.600 -0.038 0.000 1.002 1205 K CA -0.721 55.556 56.287 -0.017 0.000 0.885 1205 K CB 1.002 33.494 32.500 -0.014 0.000 1.136 1205 K HN -0.215 nan 8.250 nan 0.000 0.448 1206 D N 1.509 121.881 120.400 -0.045 0.000 2.889 1206 D HA 0.160 4.802 4.640 0.003 0.000 0.243 1206 D C -0.456 175.811 176.300 -0.054 0.000 1.270 1206 D CA 0.042 54.012 54.000 -0.051 0.000 0.838 1206 D CB -0.295 40.474 40.800 -0.052 0.000 1.040 1206 D HN 0.117 nan 8.370 nan 0.000 0.480 1207 L N 0.849 122.038 121.223 -0.057 0.000 2.290 1207 L HA 0.271 4.612 4.340 0.003 0.000 0.284 1207 L C 0.379 177.200 176.870 -0.081 0.000 1.078 1207 L CA -0.126 54.671 54.840 -0.072 0.000 0.815 1207 L CB 0.850 42.865 42.059 -0.073 0.000 1.162 1207 L HN -0.032 nan 8.230 nan 0.000 0.435 1208 T N 3.148 117.641 114.554 -0.101 0.000 2.795 1208 T HA 0.203 4.554 4.350 0.003 0.000 0.282 1208 T C 1.343 175.933 174.700 -0.183 0.000 0.980 1208 T CA -0.776 61.254 62.100 -0.117 0.000 1.012 1208 T CB 1.789 70.591 68.868 -0.109 0.000 0.936 1208 T HN 0.452 nan 8.240 nan 0.000 0.457 1209 M N 2.460 121.946 119.600 -0.190 0.000 2.103 1209 M HA -0.151 4.331 4.480 0.003 0.000 0.255 1209 M C 2.548 178.488 176.300 -0.599 0.000 1.074 1209 M CA 2.133 57.249 55.300 -0.307 0.000 1.090 1209 M CB -1.654 30.821 32.600 -0.209 0.000 1.325 1209 M HN 0.924 nan 8.290 nan 0.000 0.403 1210 G N -0.968 107.522 108.800 -0.517 0.000 2.491 1210 G HA2 -0.295 3.666 3.960 0.003 0.000 0.218 1210 G HA3 -0.295 3.666 3.960 0.003 0.000 0.218 1210 G C 1.447 176.060 174.900 -0.478 0.000 1.180 1210 G CA 1.056 45.813 45.100 -0.573 0.000 0.774 1210 G HN 0.577 nan 8.290 nan 0.000 0.562 1211 Q N -0.285 119.342 119.800 -0.288 0.000 2.124 1211 Q HA -0.086 4.255 4.340 0.003 0.000 0.202 1211 Q C 2.831 178.695 176.000 -0.225 0.000 0.977 1211 Q CA 1.417 57.097 55.803 -0.205 0.000 0.850 1211 Q CB -0.097 28.560 28.738 -0.134 0.000 0.901 1211 Q HN 0.404 nan 8.270 nan 0.000 0.429 1212 V N -0.256 119.496 119.914 -0.270 0.000 2.307 1212 V HA -0.189 3.932 4.120 0.003 0.000 0.245 1212 V C 2.272 178.209 176.094 -0.262 0.000 1.045 1212 V CA 1.917 64.082 62.300 -0.225 0.000 1.024 1212 V CB -1.174 30.527 31.823 -0.204 0.000 0.651 1212 V HN 0.549 nan 8.190 nan 0.000 0.449 1213 G N -0.465 108.034 108.800 -0.502 0.000 2.421 1213 G HA2 -0.197 3.765 3.960 0.003 0.000 0.216 1213 G HA3 -0.197 3.765 3.960 0.003 0.000 0.216 1213 G C 1.467 176.188 174.900 -0.298 0.000 1.171 1213 G CA 0.570 45.337 45.100 -0.555 0.000 0.775 1213 G HN 0.458 nan 8.290 nan 0.000 0.543 1214 E N 0.319 120.312 120.200 -0.344 0.000 2.118 1214 E HA -0.132 4.220 4.350 0.003 0.000 0.195 1214 E C 2.573 179.150 176.600 -0.038 0.000 0.992 1214 E CA 0.766 57.107 56.400 -0.098 0.000 0.804 1214 E CB -0.142 29.505 29.700 -0.088 0.000 0.741 1214 E HN 0.241 nan 8.360 nan 0.000 0.458 1215 R N 0.542 120.999 120.500 -0.072 0.000 2.148 1215 R HA 0.049 4.390 4.340 0.003 0.000 0.223 1215 R C 2.215 178.533 176.300 0.030 0.000 1.088 1215 R CA 0.507 56.590 56.100 -0.027 0.000 0.985 1215 R CB -0.262 30.008 30.300 -0.051 0.000 0.880 1215 R HN 0.164 nan 8.270 nan 0.000 0.451 1216 I N -0.288 120.311 120.570 0.048 0.000 2.353 1216 I HA -0.169 4.003 4.170 0.003 0.000 0.248 1216 I C 2.173 178.428 176.117 0.230 0.000 1.119 1216 I CA 1.006 62.402 61.300 0.159 0.000 1.417 1216 I CB -0.197 37.865 38.000 0.103 0.000 1.078 1216 I HN 0.078 nan 8.210 nan 0.000 0.421 1217 K N 0.738 121.225 120.400 0.146 0.000 2.097 1217 K HA -0.199 4.122 4.320 0.003 0.000 0.206 1217 K C 2.159 178.846 176.600 0.144 0.000 1.049 1217 K CA 1.373 57.750 56.287 0.150 0.000 0.933 1217 K CB 0.013 32.593 32.500 0.132 0.000 0.717 1217 K HN 0.345 nan 8.250 nan 0.000 0.442 1218 Q N -0.802 119.057 119.800 0.098 0.000 2.291 1218 Q HA -0.087 4.255 4.340 0.003 0.000 0.205 1218 Q C 1.573 177.589 176.000 0.028 0.000 0.970 1218 Q CA 1.519 57.355 55.803 0.055 0.000 0.876 1218 Q CB 0.299 29.050 28.738 0.023 0.000 0.935 1218 Q HN 0.359 nan 8.270 nan 0.000 0.455 1219 T N -0.445 114.127 114.554 0.030 0.000 2.852 1219 T HA -0.006 4.346 4.350 0.003 0.000 0.256 1219 T C 1.030 175.573 174.700 -0.261 0.000 1.038 1219 T CA 0.769 62.767 62.100 -0.171 0.000 1.141 1219 T CB -0.098 68.572 68.868 -0.330 0.000 0.869 1219 T HN 0.167 nan 8.240 nan 0.000 0.439 1220 F N 1.128 121.090 119.950 0.020 0.000 2.749 1220 F HA 0.418 4.947 4.527 0.003 0.000 0.300 1220 F C 1.549 177.367 175.800 0.030 0.000 1.103 1220 F CA -0.510 57.505 58.000 0.025 0.000 1.342 1220 F CB -0.239 38.779 39.000 0.030 0.000 1.098 1220 F HN 0.058 nan 8.300 nan 0.000 0.586 1221 K N 0.768 121.268 120.400 0.168 0.000 10.248 1221 K HA -0.431 3.891 4.320 0.003 0.000 0.479 1221 K C 0.288 176.962 176.600 0.122 0.000 0.461 1221 K CA 2.495 58.850 56.287 0.113 0.000 1.712 1221 K CB -1.477 31.065 32.500 0.071 0.000 0.800 1221 K HN 0.330 nan 8.250 nan 0.000 1.182 1222 N N 0.604 119.374 118.700 0.116 0.000 2.299 1222 N HA 0.111 4.852 4.740 0.003 0.000 0.246 1222 N C -1.319 174.254 175.510 0.104 0.000 1.254 1222 N CA 0.358 53.469 53.050 0.102 0.000 0.879 1222 N CB 0.774 39.308 38.487 0.078 0.000 1.214 1222 N HN 0.400 nan 8.380 nan 0.000 0.510 1223 D N 0.681 121.157 120.400 0.127 0.000 2.980 1223 D HA 0.157 4.799 4.640 0.003 0.000 0.333 1223 D C -0.548 175.805 176.300 0.089 0.000 1.356 1223 D CA -0.305 53.761 54.000 0.110 0.000 0.847 1223 D CB 0.399 41.265 40.800 0.110 0.000 1.122 1223 D HN -0.013 nan 8.370 nan 0.000 0.475 1224 L N 0.982 122.254 121.223 0.083 0.000 2.845 1224 L HA 0.328 4.670 4.340 0.003 0.000 0.253 1224 L C -1.883 175.030 176.870 0.071 0.000 0.959 1224 L CA -0.671 54.182 54.840 0.020 0.000 1.001 1224 L CB 1.655 43.636 42.059 -0.128 0.000 1.374 1224 L HN -0.017 nan 8.230 nan 0.000 0.469 1225 F N 5.616 125.535 119.950 -0.052 0.000 2.467 1225 F HA 0.642 5.170 4.527 0.003 0.000 0.362 1225 F C -0.476 175.269 175.800 -0.093 0.000 1.090 1225 F CA 0.040 57.995 58.000 -0.075 0.000 1.202 1225 F CB 0.802 39.751 39.000 -0.085 0.000 1.113 1225 F HN 0.169 nan 8.300 nan 0.000 0.541 1226 V N 8.102 127.528 119.914 -0.813 0.000 2.483 1226 V HA 0.433 4.555 4.120 0.003 0.000 0.297 1226 V C 0.042 175.595 176.094 -0.902 0.000 1.027 1226 V CA -0.748 61.222 62.300 -0.549 0.000 0.855 1226 V CB 1.274 33.027 31.823 -0.117 0.000 0.995 1226 V HN 0.643 nan 8.190 nan 0.000 0.424 1227 I N 3.289 123.463 120.570 -0.660 0.000 3.217 1227 I HA 0.831 5.003 4.170 0.003 0.000 0.308 1227 I C -0.771 175.179 176.117 -0.277 0.000 1.091 1227 I CA -0.708 60.152 61.300 -0.733 0.000 1.013 1227 I CB 2.070 39.831 38.000 -0.398 0.000 1.250 1227 I HN 0.803 nan 8.210 nan 0.000 0.496 1228 W N -0.243 121.038 121.300 -0.031 0.000 3.275 1228 W HA 0.638 5.300 4.660 0.003 0.000 0.306 1228 W C -1.188 175.331 176.519 0.000 0.000 1.259 1228 W CA -0.871 56.459 57.345 -0.025 0.000 1.194 1228 W CB -0.222 29.219 29.460 -0.031 0.000 1.375 1228 W HN 0.278 nan 8.180 nan 0.000 0.564 1229 S N 1.003 116.849 115.700 0.244 0.000 2.587 1229 S HA 0.172 4.644 4.470 0.003 0.000 0.260 1229 S C -0.156 174.592 174.600 0.247 0.000 1.353 1229 S CA -0.352 57.946 58.200 0.163 0.000 0.995 1229 S CB 0.571 63.828 63.200 0.096 0.000 0.912 1229 S HN 0.522 nan 8.310 nan 0.000 0.568 1230 E N -0.413 119.879 120.200 0.152 0.000 2.232 1230 E HA 0.212 4.563 4.350 0.003 0.000 0.264 1230 E C -0.000 176.642 176.600 0.070 0.000 0.973 1230 E CA -0.558 55.928 56.400 0.143 0.000 0.849 1230 E CB 0.884 30.654 29.700 0.117 0.000 1.198 1230 E HN 0.513 nan 8.360 nan 0.000 0.407 1231 D N 0.124 120.551 120.400 0.045 0.000 2.182 1231 D HA -0.151 4.490 4.640 0.003 0.000 0.201 1231 D C 0.944 177.249 176.300 0.009 0.000 0.986 1231 D CA 1.121 55.128 54.000 0.011 0.000 0.847 1231 D CB 0.082 40.878 40.800 -0.007 0.000 0.942 1231 D HN 0.313 nan 8.370 nan 0.000 0.467 1232 N N 0.500 119.208 118.700 0.013 0.000 2.446 1232 N HA -0.049 4.693 4.740 0.003 0.000 0.179 1232 N C -0.064 175.452 175.510 0.009 0.000 1.054 1232 N CA 0.279 53.334 53.050 0.008 0.000 0.905 1232 N CB 0.225 38.715 38.487 0.006 0.000 0.973 1232 N HN 0.198 nan 8.380 nan 0.000 0.448 1233 D N 1.227 121.637 120.400 0.016 0.000 2.362 1233 D HA -0.056 4.586 4.640 0.003 0.000 0.238 1233 D C 1.299 177.606 176.300 0.012 0.000 1.212 1233 D CA 0.218 54.227 54.000 0.016 0.000 0.902 1233 D CB 0.987 41.802 40.800 0.025 0.000 1.180 1233 D HN 0.103 nan 8.370 nan 0.000 0.445 1234 E N 1.183 121.389 120.200 0.010 0.000 2.001 1234 E HA -0.160 4.191 4.350 0.003 0.000 0.195 1234 E C 0.209 176.814 176.600 0.009 0.000 1.002 1234 E CA 1.349 57.754 56.400 0.008 0.000 0.819 1234 E CB 0.154 29.858 29.700 0.008 0.000 0.769 1234 E HN 0.264 nan 8.360 nan 0.000 0.454 1235 K N 0.369 120.776 120.400 0.011 0.000 2.211 1235 K HA 0.307 4.629 4.320 0.003 0.000 0.275 1235 K C -0.992 175.617 176.600 0.016 0.000 1.024 1235 K CA -0.314 55.980 56.287 0.010 0.000 0.887 1235 K CB 0.665 33.170 32.500 0.009 0.000 1.084 1235 K HN 0.122 nan 8.250 nan 0.000 0.463 1236 L N 6.503 127.734 121.223 0.013 0.000 2.276 1236 L HA 0.484 4.825 4.340 0.003 0.000 0.286 1236 L C -0.413 176.470 176.870 0.021 0.000 1.061 1236 L CA -0.624 54.228 54.840 0.020 0.000 0.807 1236 L CB 0.689 42.752 42.059 0.006 0.000 1.177 1236 L HN 0.612 nan 8.230 nan 0.000 0.429 1237 I N 3.972 124.567 120.570 0.042 0.000 2.752 1237 I HA 0.408 4.580 4.170 0.003 0.000 0.295 1237 I C -0.787 175.376 176.117 0.077 0.000 1.219 1237 I CA -0.496 60.824 61.300 0.033 0.000 1.030 1237 I CB 2.783 40.787 38.000 0.007 0.000 1.259 1237 I HN 0.302 nan 8.210 nan 0.000 0.423 1238 I N 4.320 124.924 120.570 0.057 0.000 2.493 1238 I HA 0.550 4.722 4.170 0.003 0.000 0.298 1238 I C -0.171 175.961 176.117 0.024 0.000 0.998 1238 I CA -0.701 60.655 61.300 0.092 0.000 1.137 1238 I CB 1.614 39.660 38.000 0.077 0.000 1.310 1238 I HN 0.540 nan 8.210 nan 0.000 0.445 1239 R N 3.757 124.260 120.500 0.007 0.000 2.670 1239 R HA 0.746 5.088 4.340 0.003 0.000 0.289 1239 R C -1.482 174.789 176.300 -0.049 0.000 0.965 1239 R CA -0.455 55.623 56.100 -0.037 0.000 0.899 1239 R CB 2.084 32.354 30.300 -0.050 0.000 1.173 1239 R HN 0.651 nan 8.270 nan 0.000 0.456 1240 C N 2.348 121.628 119.300 -0.034 0.000 2.679 1240 C HA 0.434 4.895 4.460 0.003 0.000 0.354 1240 C C -0.267 174.723 174.990 -0.000 0.000 1.067 1240 C CA -1.066 57.926 59.018 -0.042 0.000 1.317 1240 C CB 0.900 28.591 27.740 -0.081 0.000 1.843 1240 C HN 0.790 nan 8.230 nan 0.000 0.459 1241 R N 1.635 122.164 120.500 0.048 0.000 2.532 1241 R HA 0.721 5.062 4.340 0.003 0.000 0.295 1241 R C -0.344 175.995 176.300 0.066 0.000 0.968 1241 R CA -0.555 55.587 56.100 0.070 0.000 0.916 1241 R CB 1.681 32.028 30.300 0.078 0.000 1.124 1241 R HN 0.570 nan 8.270 nan 0.000 0.463 1242 V N 2.581 122.531 119.914 0.060 0.000 3.139 1242 V HA 0.083 4.204 4.120 0.003 0.000 0.307 1242 V C 0.682 176.812 176.094 0.059 0.000 1.095 1242 V CA -0.110 62.222 62.300 0.053 0.000 1.160 1242 V CB 1.026 32.891 31.823 0.070 0.000 1.003 1242 V HN 0.440 nan 8.190 nan 0.000 0.489 1255 E N -0.127 120.076 120.200 0.005 0.000 2.393 1255 E HA -0.174 4.177 4.350 0.003 0.000 0.169 1255 E C 0.211 176.803 176.600 -0.013 0.000 1.591 1255 E CA 1.136 57.523 56.400 -0.022 0.000 0.661 1255 E CB -0.573 29.102 29.700 -0.041 0.000 1.097 1255 E HN 0.628 nan 8.360 nan 0.000 0.356 1256 E N 0.291 120.453 120.200 -0.063 0.000 2.474 1256 E HA -0.035 4.317 4.350 0.003 0.000 0.215 1256 E C 0.407 176.789 176.600 -0.363 0.000 0.867 1256 E CA 0.420 56.756 56.400 -0.107 0.000 1.135 1256 E CB 0.443 30.159 29.700 0.026 0.000 1.147 1256 E HN 0.343 nan 8.360 nan 0.000 0.534 1257 D N -0.438 119.604 120.400 -0.597 0.000 2.350 1257 D HA -0.126 4.516 4.640 0.003 0.000 0.216 1257 D C 1.401 177.512 176.300 -0.314 0.000 0.968 1257 D CA 0.925 54.466 54.000 -0.765 0.000 0.894 1257 D CB -0.151 40.177 40.800 -0.786 0.000 0.909 1257 D HN 0.234 nan 8.370 nan 0.000 0.520 1258 H N -0.765 118.154 119.070 -0.252 0.000 2.486 1258 H HA 0.306 4.863 4.556 0.003 0.000 0.287 1258 H C 1.836 177.110 175.328 -0.090 0.000 1.010 1258 H CA 0.440 56.405 56.048 -0.137 0.000 1.324 1258 H CB 0.214 29.916 29.762 -0.100 0.000 1.446 1258 H HN -0.035 nan 8.280 nan 0.000 0.537 1259 M N -0.272 119.330 119.600 0.003 0.000 2.254 1259 M HA -0.034 4.448 4.480 0.003 0.000 0.265 1259 M C 0.279 176.564 176.300 -0.026 0.000 1.066 1259 M CA 0.808 56.113 55.300 0.007 0.000 1.123 1259 M CB 0.324 32.942 32.600 0.031 0.000 1.388 1259 M HN 0.198 nan 8.290 nan 0.000 0.425 1260 L N 1.312 122.499 121.223 -0.060 0.000 2.672 1260 L HA 0.069 4.410 4.340 0.003 0.000 0.238 1260 L C 0.604 177.428 176.870 -0.077 0.000 1.392 1260 L CA 0.581 55.394 54.840 -0.045 0.000 1.238 1260 L CB -0.594 41.467 42.059 0.004 0.000 1.548 1260 L HN 0.152 nan 8.230 nan 0.000 0.423 1261 K N -0.848 119.494 120.400 -0.096 0.000 3.019 1261 K HA 0.093 4.414 4.320 0.003 0.000 0.192 1261 K C 1.488 178.041 176.600 -0.079 0.000 1.680 1261 K CA -0.057 56.159 56.287 -0.118 0.000 1.375 1261 K CB 0.400 32.758 32.500 -0.237 0.000 1.968 1261 K HN 0.031 nan 8.250 nan 0.000 0.624 1262 K N 1.673 122.028 120.400 -0.074 0.000 2.360 1262 K HA 0.041 4.363 4.320 0.003 0.000 0.201 1262 K C 1.780 178.413 176.600 0.055 0.000 1.046 1262 K CA 0.956 57.240 56.287 -0.005 0.000 0.940 1262 K CB -0.051 32.461 32.500 0.021 0.000 0.748 1262 K HN 0.164 nan 8.250 nan 0.000 0.465 1263 I N 0.217 120.816 120.570 0.049 0.000 2.235 1263 I HA -0.222 3.949 4.170 0.003 0.000 0.241 1263 I C 2.303 178.465 176.117 0.076 0.000 1.085 1263 I CA 1.152 62.506 61.300 0.091 0.000 1.378 1263 I CB -0.186 37.796 38.000 -0.031 0.000 1.076 1263 I HN 0.182 nan 8.210 nan 0.000 0.415 1264 E N 1.189 121.398 120.200 0.015 0.000 2.265 1264 E HA -0.270 4.082 4.350 0.003 0.000 0.196 1264 E C 1.734 178.353 176.600 0.032 0.000 0.996 1264 E CA 1.638 58.048 56.400 0.016 0.000 0.832 1264 E CB -0.292 29.406 29.700 -0.004 0.000 0.756 1264 E HN 0.332 nan 8.360 nan 0.000 0.491 1265 N N -0.453 118.264 118.700 0.029 0.000 2.135 1265 N HA -0.066 4.676 4.740 0.003 0.000 0.186 1265 N C 1.418 176.961 175.510 0.055 0.000 1.027 1265 N CA 1.986 55.054 53.050 0.029 0.000 0.849 1265 N CB -0.385 38.109 38.487 0.012 0.000 1.002 1265 N HN 0.251 nan 8.380 nan 0.000 0.425 1266 T N 0.629 115.237 114.554 0.090 0.000 2.777 1266 T HA -0.050 4.302 4.350 0.003 0.000 0.266 1266 T C 1.897 176.685 174.700 0.146 0.000 1.040 1266 T CA 0.750 62.915 62.100 0.107 0.000 1.141 1266 T CB -0.147 68.803 68.868 0.138 0.000 0.868 1266 T HN 0.218 nan 8.240 nan 0.000 0.444 1267 M N 0.373 120.101 119.600 0.214 0.000 2.267 1267 M HA -0.045 4.436 4.480 0.003 0.000 0.263 1267 M C 1.825 178.187 176.300 0.104 0.000 1.063 1267 M CA 1.431 56.857 55.300 0.210 0.000 1.090 1267 M CB -0.386 32.295 32.600 0.136 0.000 1.392 1267 M HN 0.302 nan 8.290 nan 0.000 0.422 1268 L N -1.605 119.657 121.223 0.065 0.000 2.262 1268 L HA -0.022 4.320 4.340 0.003 0.000 0.197 1268 L C 0.740 177.624 176.870 0.024 0.000 1.073 1268 L CA 0.639 55.499 54.840 0.033 0.000 0.800 1268 L CB -0.134 41.938 42.059 0.023 0.000 0.987 1268 L HN 0.034 nan 8.230 nan 0.000 0.470 1269 E N 0.703 120.921 120.200 0.030 0.000 2.462 1269 E HA 0.139 4.490 4.350 0.003 0.000 0.255 1269 E C -0.036 176.581 176.600 0.029 0.000 1.311 1269 E CA -0.025 56.392 56.400 0.028 0.000 1.629 1269 E CB 0.157 29.873 29.700 0.026 0.000 1.510 1269 E HN 0.243 nan 8.360 nan 0.000 0.438 1270 N N -0.324 118.391 118.700 0.025 0.000 1.848 1270 N HA 0.023 4.764 4.740 0.003 0.000 0.236 1270 N C -0.544 174.966 175.510 0.001 0.000 1.427 1270 N CA -0.063 52.994 53.050 0.011 0.000 0.732 1270 N CB 0.816 39.296 38.487 -0.012 0.000 1.067 1270 N HN 0.148 nan 8.380 nan 0.000 0.540 1271 I N 2.976 123.551 120.570 0.008 0.000 2.260 1271 I HA 0.116 4.288 4.170 0.003 0.000 0.297 1271 I C 0.110 176.210 176.117 -0.028 0.000 1.143 1271 I CA 0.565 61.865 61.300 0.000 0.000 1.271 1271 I CB -0.100 37.922 38.000 0.037 0.000 1.461 1271 I HN -0.209 nan 8.210 nan 0.000 0.530 1272 T N 7.279 121.821 114.554 -0.019 0.000 2.779 1272 T HA 0.176 4.528 4.350 0.003 0.000 0.296 1272 T C 1.275 175.946 174.700 -0.049 0.000 0.938 1272 T CA -0.285 61.794 62.100 -0.034 0.000 1.119 1272 T CB 1.476 70.370 68.868 0.044 0.000 0.891 1272 T HN 0.291 nan 8.240 nan 0.000 0.526 1273 L N 3.252 124.425 121.223 -0.084 0.000 2.416 1273 L HA 0.304 4.645 4.340 0.003 0.000 0.216 1273 L C 1.286 178.121 176.870 -0.057 0.000 1.098 1273 L CA 0.835 55.631 54.840 -0.072 0.000 0.840 1273 L CB -0.222 41.785 42.059 -0.088 0.000 0.981 1273 L HN 0.681 nan 8.230 nan 0.000 0.462 1274 R N -2.521 117.951 120.500 -0.046 0.000 3.112 1274 R HA 0.487 4.828 4.340 0.003 0.000 0.271 1274 R C -0.460 175.850 176.300 0.016 0.000 1.008 1274 R CA -0.335 55.753 56.100 -0.020 0.000 0.903 1274 R CB -0.075 30.206 30.300 -0.031 0.000 1.267 1274 R HN 0.034 nan 8.270 nan 0.000 0.514 1275 G N 0.306 109.125 108.800 0.030 0.000 2.757 1275 G HA2 -0.062 3.900 3.960 0.003 0.000 0.638 1275 G HA3 -0.062 3.900 3.960 0.003 0.000 0.638 1275 G C -1.008 173.946 174.900 0.090 0.000 1.344 1275 G CA -0.491 44.644 45.100 0.058 0.000 0.855 1275 G HN 0.788 nan 8.290 nan 0.000 0.537 1276 V N 1.110 121.060 119.914 0.061 0.000 2.465 1276 V HA 0.474 4.595 4.120 0.003 0.000 0.279 1276 V C 0.951 177.009 176.094 -0.061 0.000 1.045 1276 V CA 0.214 62.518 62.300 0.007 0.000 0.938 1276 V CB 1.068 32.876 31.823 -0.025 0.000 0.986 1276 V HN 1.041 nan 8.190 nan 0.000 0.467 1277 E N 4.784 124.884 120.200 -0.167 0.000 2.415 1277 E HA 0.174 4.526 4.350 0.003 0.000 0.262 1277 E C 0.396 176.766 176.600 -0.382 0.000 1.038 1277 E CA -0.082 55.994 56.400 -0.541 0.000 0.921 1277 E CB 0.090 29.598 29.700 -0.319 0.000 0.950 1277 E HN 0.650 nan 8.360 nan 0.000 0.438 1278 N N -0.125 118.302 118.700 -0.455 0.000 2.946 1278 N HA -0.187 4.555 4.740 0.003 0.000 0.207 1278 N C -0.575 174.844 175.510 -0.152 0.000 0.906 1278 N CA 1.072 53.985 53.050 -0.228 0.000 1.035 1278 N CB -1.198 37.199 38.487 -0.150 0.000 0.998 1278 N HN 0.481 nan 8.380 nan 0.000 0.595 1279 I N 2.555 123.039 120.570 -0.144 0.000 2.241 1279 I HA 0.106 4.278 4.170 0.003 0.000 0.294 1279 I C 1.387 177.512 176.117 0.014 0.000 1.145 1279 I CA 0.199 61.471 61.300 -0.046 0.000 1.261 1279 I CB 0.834 38.821 38.000 -0.022 0.000 1.475 1279 I HN 0.006 nan 8.210 nan 0.000 0.533 1280 E N 4.824 125.026 120.200 0.004 0.000 2.029 1280 E HA 0.034 4.385 4.350 0.003 0.000 0.217 1280 E C 0.566 177.173 176.600 0.011 0.000 0.903 1280 E CA 0.962 57.378 56.400 0.027 0.000 1.062 1280 E CB 0.112 29.816 29.700 0.006 0.000 0.908 1280 E HN 0.522 nan 8.360 nan 0.000 0.569 1281 R N -0.194 120.292 120.500 -0.023 0.000 2.404 1281 R HA 0.583 4.924 4.340 0.003 0.000 0.291 1281 R C -1.058 175.218 176.300 -0.039 0.000 1.025 1281 R CA -0.529 55.530 56.100 -0.069 0.000 0.991 1281 R CB 1.117 31.349 30.300 -0.114 0.000 1.053 1281 R HN 0.017 nan 8.270 nan 0.000 0.479 1282 V N 4.084 123.984 119.914 -0.024 0.000 2.483 1282 V HA 0.343 4.465 4.120 0.003 0.000 0.297 1282 V C -0.642 175.527 176.094 0.125 0.000 1.027 1282 V CA -0.684 61.644 62.300 0.047 0.000 0.855 1282 V CB 2.013 33.873 31.823 0.062 0.000 0.995 1282 V HN 0.662 nan 8.190 nan 0.000 0.424 1283 V N 5.531 125.504 119.914 0.097 0.000 2.715 1283 V HA 0.563 4.685 4.120 0.003 0.000 0.310 1283 V C 0.154 176.302 176.094 0.090 0.000 1.054 1283 V CA -0.807 61.572 62.300 0.132 0.000 0.928 1283 V CB 1.919 33.805 31.823 0.105 0.000 1.007 1283 V HN 0.776 nan 8.190 nan 0.000 0.437 1284 M N 3.637 123.277 119.600 0.067 0.000 2.291 1284 M HA 0.697 5.178 4.480 0.003 0.000 0.324 1284 M C -0.555 175.856 176.300 0.184 0.000 1.148 1284 M CA -0.164 55.169 55.300 0.054 0.000 1.104 1284 M CB 1.300 33.819 32.600 -0.134 0.000 1.483 1284 M HN 0.664 nan 8.290 nan 0.000 0.467 1285 M N 1.262 121.051 119.600 0.315 0.000 2.465 1285 M HA 0.310 4.791 4.480 0.003 0.000 0.284 1285 M C -1.373 175.241 176.300 0.525 0.000 1.212 1285 M CA -0.427 55.127 55.300 0.423 0.000 0.910 1285 M CB 2.795 35.641 32.600 0.409 0.000 1.725 1285 M HN 0.575 nan 8.290 nan 0.000 0.477 1286 K N 2.967 123.602 120.400 0.391 0.000 2.263 1286 K HA 0.354 4.675 4.320 0.003 0.000 0.282 1286 K C -1.775 174.969 176.600 0.239 0.000 1.089 1286 K CA -0.142 56.157 56.287 0.020 0.000 0.907 1286 K CB 0.439 32.723 32.500 -0.359 0.000 1.148 1286 K HN 0.674 nan 8.250 nan 0.000 0.470 1287 Y N 2.214 122.502 120.300 -0.020 0.000 2.307 1287 Y HA 0.089 4.640 4.550 0.003 0.000 0.324 1287 Y C 0.319 176.186 175.900 -0.055 0.000 1.238 1287 Y CA -1.181 56.923 58.100 0.006 0.000 1.280 1287 Y CB 1.272 39.783 38.460 0.085 0.000 1.248 1287 Y HN 0.598 nan 8.280 nan 0.000 0.508 1288 D N 1.449 121.897 120.400 0.079 0.000 2.294 1288 D HA 0.478 5.120 4.640 0.003 0.000 0.250 1288 D C -0.680 175.641 176.300 0.036 0.000 1.058 1288 D CA -0.695 53.317 54.000 0.019 0.000 0.950 1288 D CB 1.152 41.944 40.800 -0.013 0.000 1.158 1288 D HN 0.308 nan 8.370 nan 0.000 0.453 1289 R N 0.752 121.262 120.500 0.017 0.000 2.518 1289 R HA 0.175 4.517 4.340 0.003 0.000 0.287 1289 R C -1.281 175.042 176.300 0.039 0.000 1.135 1289 R CA -0.707 55.404 56.100 0.019 0.000 0.967 1289 R CB 0.965 31.261 30.300 -0.007 0.000 1.212 1289 R HN 0.292 nan 8.270 nan 0.000 0.422 1290 K N 3.279 123.716 120.400 0.062 0.000 2.349 1290 K HA 0.324 4.646 4.320 0.003 0.000 0.289 1290 K C -1.055 175.687 176.600 0.235 0.000 1.064 1290 K CA -0.076 56.293 56.287 0.137 0.000 0.947 1290 K CB 1.241 33.788 32.500 0.079 0.000 1.007 1290 K HN 0.261 nan 8.250 nan 0.000 0.478 1291 V N 5.771 125.822 119.914 0.227 0.000 3.147 1291 V HA 0.300 4.422 4.120 0.003 0.000 0.306 1291 V C -2.474 173.555 176.094 -0.109 0.000 1.209 1291 V CA -2.236 60.137 62.300 0.121 0.000 1.023 1291 V CB 2.483 34.327 31.823 0.034 0.000 1.059 1291 V HN 0.679 nan 8.190 nan 0.000 0.435 1292 P HA 0.131 nan 4.420 nan 0.000 0.264 1292 P C -0.477 176.701 177.300 -0.203 0.000 1.193 1292 P CA 0.489 63.339 63.100 -0.417 0.000 0.763 1292 P CB 0.526 32.001 31.700 -0.375 0.000 0.810 1293 S N 4.548 120.147 115.700 -0.169 0.000 2.593 1293 S HA 0.206 4.678 4.470 0.003 0.000 0.269 1293 S C -1.048 173.488 174.600 -0.108 0.000 1.334 1293 S CA -1.401 56.737 58.200 -0.102 0.000 1.015 1293 S CB -0.190 62.968 63.200 -0.070 0.000 0.912 1293 S HN 0.297 nan 8.310 nan 0.000 0.541 1294 P HA -0.122 nan 4.420 nan 0.000 0.215 1294 P C 1.518 178.776 177.300 -0.070 0.000 1.157 1294 P CA 1.671 64.728 63.100 -0.072 0.000 0.868 1294 P CB -0.724 30.945 31.700 -0.051 0.000 0.788 1295 T N -2.729 111.793 114.554 -0.054 0.000 3.052 1295 T HA 0.028 4.379 4.350 0.003 0.000 0.270 1295 T C 1.420 176.095 174.700 -0.042 0.000 1.147 1295 T CA 2.066 64.143 62.100 -0.037 0.000 1.089 1295 T CB -0.873 67.982 68.868 -0.021 0.000 0.875 1295 T HN 0.384 nan 8.240 nan 0.000 0.541 1296 G N 0.519 109.271 108.800 -0.080 0.000 2.792 1296 G HA2 -0.175 3.787 3.960 0.003 0.000 0.201 1296 G HA3 -0.175 3.787 3.960 0.003 0.000 0.201 1296 G C -0.259 174.569 174.900 -0.120 0.000 1.322 1296 G CA -0.147 44.895 45.100 -0.098 0.000 0.910 1296 G HN 0.686 nan 8.290 nan 0.000 0.535 1297 E N 0.774 120.943 120.200 -0.052 0.000 2.415 1297 E HA 0.441 4.793 4.350 0.003 0.000 0.262 1297 E C -0.573 175.999 176.600 -0.047 0.000 1.038 1297 E CA -0.225 56.175 56.400 0.001 0.000 0.921 1297 E CB 0.313 30.033 29.700 0.033 0.000 0.950 1297 E HN 0.432 nan 8.360 nan 0.000 0.438 1298 Y N 1.448 121.753 120.300 0.009 0.000 2.531 1298 Y HA 0.210 4.762 4.550 0.003 0.000 0.347 1298 Y C -0.094 175.807 175.900 0.002 0.000 1.024 1298 Y CA -0.298 57.805 58.100 0.005 0.000 1.306 1298 Y CB 0.349 38.818 38.460 0.014 0.000 1.149 1298 Y HN 0.224 nan 8.280 nan 0.000 0.527 1299 V N 3.638 123.609 119.914 0.096 0.000 2.881 1299 V HA 0.352 4.473 4.120 0.003 0.000 0.316 1299 V C -0.321 175.806 176.094 0.055 0.000 1.070 1299 V CA -1.838 60.497 62.300 0.058 0.000 0.976 1299 V CB 1.928 33.760 31.823 0.014 0.000 1.038 1299 V HN 0.474 nan 8.190 nan 0.000 0.446 1300 K N 2.489 122.908 120.400 0.032 0.000 2.292 1300 K HA 0.246 4.568 4.320 0.003 0.000 0.290 1300 K C -0.259 176.339 176.600 -0.003 0.000 1.083 1300 K CA 0.030 56.328 56.287 0.017 0.000 0.918 1300 K CB 0.515 33.019 32.500 0.006 0.000 1.089 1300 K HN 0.611 nan 8.250 nan 0.000 0.473 1301 E N 5.702 125.899 120.200 -0.005 0.000 2.101 1301 E HA 0.213 4.565 4.350 0.003 0.000 0.260 1301 E C -2.508 174.067 176.600 -0.041 0.000 0.897 1301 E CA -2.124 54.262 56.400 -0.024 0.000 0.744 1301 E CB 1.260 30.949 29.700 -0.018 0.000 1.140 1301 E HN 0.294 nan 8.360 nan 0.000 0.419 1302 P HA 0.159 nan 4.420 nan 0.000 0.290 1302 P C -0.636 176.563 177.300 -0.168 0.000 1.276 1302 P CA -0.171 62.861 63.100 -0.113 0.000 0.808 1302 P CB 1.317 32.926 31.700 -0.152 0.000 0.966 1303 E N 1.868 121.972 120.200 -0.159 0.000 2.586 1303 E HA 0.497 4.848 4.350 0.003 0.000 0.232 1303 E C -1.168 175.268 176.600 -0.274 0.000 0.854 1303 E CA -1.005 55.304 56.400 -0.152 0.000 0.938 1303 E CB 0.998 30.681 29.700 -0.027 0.000 1.518 1303 E HN 0.322 nan 8.360 nan 0.000 0.400 1304 W N 0.313 121.638 121.300 0.041 0.000 2.538 1304 W HA 0.512 5.174 4.660 0.003 0.000 0.322 1304 W C -1.329 175.179 176.519 -0.019 0.000 1.028 1304 W CA -0.718 56.639 57.345 0.020 0.000 1.228 1304 W CB 2.242 31.716 29.460 0.024 0.000 1.356 1304 W HN 0.204 nan 8.180 nan 0.000 0.452 1305 V N 5.127 125.151 119.914 0.183 0.000 2.604 1305 V HA 0.510 4.631 4.120 0.003 0.000 0.305 1305 V C -0.236 175.816 176.094 -0.070 0.000 1.043 1305 V CA -1.040 61.200 62.300 -0.100 0.000 0.888 1305 V CB 1.637 33.007 31.823 -0.756 0.000 0.995 1305 V HN 0.351 nan 8.190 nan 0.000 0.429 1306 L N 3.975 125.154 121.223 -0.074 0.000 2.334 1306 L HA 0.718 5.059 4.340 0.003 0.000 0.276 1306 L C -0.255 176.587 176.870 -0.047 0.000 1.014 1306 L CA -0.491 54.330 54.840 -0.032 0.000 0.815 1306 L CB 1.766 43.814 42.059 -0.019 0.000 1.268 1306 L HN 0.652 nan 8.230 nan 0.000 0.428 1307 E N 1.479 121.682 120.200 0.006 0.000 2.272 1307 E HA 0.574 4.926 4.350 0.003 0.000 0.269 1307 E C -1.321 175.294 176.600 0.025 0.000 0.877 1307 E CA -0.784 55.631 56.400 0.025 0.000 0.755 1307 E CB 2.613 32.360 29.700 0.078 0.000 1.192 1307 E HN 0.413 nan 8.360 nan 0.000 0.422 1308 T N 1.231 115.793 114.554 0.014 0.000 2.887 1308 T HA 0.316 4.668 4.350 0.003 0.000 0.288 1308 T C -1.049 173.652 174.700 0.001 0.000 1.021 1308 T CA -0.781 61.320 62.100 0.002 0.000 1.000 1308 T CB 1.323 70.183 68.868 -0.014 0.000 1.034 1308 T HN 0.271 nan 8.240 nan 0.000 0.467 1309 D N 1.362 121.759 120.400 -0.006 0.000 2.329 1309 D HA 0.596 5.238 4.640 0.003 0.000 0.232 1309 D C 0.469 176.756 176.300 -0.022 0.000 1.088 1309 D CA 0.674 54.667 54.000 -0.010 0.000 0.835 1309 D CB 0.924 41.717 40.800 -0.011 0.000 1.078 1309 D HN 0.975 nan 8.370 nan 0.000 0.495 1310 G N 0.542 109.324 108.800 -0.029 0.000 2.629 1310 G HA2 0.031 3.993 3.960 0.003 0.000 0.686 1310 G HA3 0.031 3.993 3.960 0.003 0.000 0.686 1310 G C -1.250 173.616 174.900 -0.056 0.000 1.232 1310 G CA -0.926 44.147 45.100 -0.046 0.000 0.803 1310 G HN 0.452 nan 8.290 nan 0.000 0.638 1311 V N 2.031 121.904 119.914 -0.068 0.000 2.447 1311 V HA 0.643 4.765 4.120 0.003 0.000 0.292 1311 V C 0.125 176.172 176.094 -0.079 0.000 1.021 1311 V CA -0.666 61.589 62.300 -0.075 0.000 0.850 1311 V CB 1.710 33.482 31.823 -0.084 0.000 1.005 1311 V HN 0.892 nan 8.190 nan 0.000 0.426 1312 N N 3.674 122.329 118.700 -0.074 0.000 2.519 1312 N HA 0.357 5.099 4.740 0.003 0.000 0.286 1312 N C 0.033 175.507 175.510 -0.059 0.000 1.079 1312 N CA -0.540 52.469 53.050 -0.069 0.000 0.878 1312 N CB 2.196 40.639 38.487 -0.072 0.000 1.375 1312 N HN 0.558 nan 8.380 nan 0.000 0.514 1313 L N 3.361 124.550 121.223 -0.057 0.000 2.316 1313 L HA 0.242 4.584 4.340 0.003 0.000 0.207 1313 L C 1.809 178.657 176.870 -0.037 0.000 1.070 1313 L CA 1.329 56.139 54.840 -0.049 0.000 0.820 1313 L CB -0.324 41.702 42.059 -0.056 0.000 0.992 1313 L HN 0.555 nan 8.230 nan 0.000 0.466 1314 S N 0.023 115.701 115.700 -0.037 0.000 2.481 1314 S HA -0.164 4.308 4.470 0.003 0.000 0.253 1314 S C 1.323 175.907 174.600 -0.026 0.000 0.998 1314 S CA 1.518 59.700 58.200 -0.030 0.000 0.972 1314 S CB -0.310 62.871 63.200 -0.032 0.000 0.751 1314 S HN 0.572 nan 8.310 nan 0.000 0.515 1315 E N -0.985 119.198 120.200 -0.028 0.000 2.653 1315 E HA 0.176 4.528 4.350 0.003 0.000 0.218 1315 E C 1.167 177.754 176.600 -0.022 0.000 0.911 1315 E CA 0.187 56.573 56.400 -0.024 0.000 1.355 1315 E CB 0.579 30.263 29.700 -0.027 0.000 1.314 1315 E HN 0.362 nan 8.360 nan 0.000 0.686 1316 V N 1.881 121.780 119.914 -0.026 0.000 3.174 1316 V HA -0.093 4.029 4.120 0.003 0.000 0.254 1316 V C 2.357 178.440 176.094 -0.018 0.000 1.120 1316 V CA 1.383 63.669 62.300 -0.024 0.000 1.114 1316 V CB -0.388 31.416 31.823 -0.031 0.000 0.756 1316 V HN 0.286 nan 8.190 nan 0.000 0.467 1317 M N 0.461 120.052 119.600 -0.014 0.000 2.394 1317 M HA 0.016 4.497 4.480 0.003 0.000 0.266 1317 M C 1.953 178.252 176.300 -0.003 0.000 1.098 1317 M CA 1.776 57.073 55.300 -0.004 0.000 1.149 1317 M CB -1.091 31.510 32.600 0.001 0.000 1.369 1317 M HN 0.245 nan 8.290 nan 0.000 0.450 1318 T N -0.751 113.798 114.554 -0.007 0.000 3.163 1318 T HA 0.201 4.552 4.350 0.003 0.000 0.260 1318 T C 0.564 175.258 174.700 -0.009 0.000 1.156 1318 T CA -0.210 61.886 62.100 -0.007 0.000 1.072 1318 T CB -1.032 67.831 68.868 -0.009 0.000 0.937 1318 T HN 0.209 nan 8.240 nan 0.000 0.528 1319 V N 3.864 123.772 119.914 -0.011 0.000 2.924 1319 V HA 0.294 4.415 4.120 0.003 0.000 0.305 1319 V C -1.542 174.542 176.094 -0.017 0.000 1.073 1319 V CA -1.811 60.480 62.300 -0.014 0.000 1.098 1319 V CB 0.887 32.700 31.823 -0.016 0.000 1.000 1319 V HN 0.404 nan 8.190 nan 0.000 0.484 1320 P HA 0.327 nan 4.420 nan 0.000 0.276 1320 P C 0.697 177.969 177.300 -0.046 0.000 1.244 1320 P CA 0.735 63.816 63.100 -0.032 0.000 0.801 1320 P CB 1.179 32.858 31.700 -0.034 0.000 1.006 1321 G N 1.028 109.787 108.800 -0.070 0.000 2.383 1321 G HA2 -0.227 3.735 3.960 0.003 0.000 0.229 1321 G HA3 -0.227 3.735 3.960 0.003 0.000 0.229 1321 G C 0.341 175.197 174.900 -0.073 0.000 1.089 1321 G CA 0.274 45.307 45.100 -0.112 0.000 0.640 1321 G HN 0.778 nan 8.290 nan 0.000 0.510 1322 I N 0.909 121.464 120.570 -0.026 0.000 2.581 1322 I HA 0.597 4.769 4.170 0.003 0.000 0.288 1322 I C -0.498 175.642 176.117 0.037 0.000 1.047 1322 I CA -0.909 60.400 61.300 0.015 0.000 1.374 1322 I CB 1.148 39.158 38.000 0.017 0.000 1.423 1322 I HN 0.086 nan 8.210 nan 0.000 0.549 1323 D N 8.073 128.523 120.400 0.082 0.000 2.363 1323 D HA 0.184 4.826 4.640 0.003 0.000 0.263 1323 D C -1.902 174.456 176.300 0.096 0.000 1.258 1323 D CA -1.572 52.485 54.000 0.095 0.000 0.907 1323 D CB 1.164 42.043 40.800 0.132 0.000 1.107 1323 D HN 0.432 nan 8.370 nan 0.000 0.495 1324 P HA 0.077 nan 4.420 nan 0.000 0.261 1324 P C 0.743 178.083 177.300 0.066 0.000 1.352 1324 P CA 0.025 63.159 63.100 0.056 0.000 0.891 1324 P CB 0.487 32.207 31.700 0.033 0.000 1.383 1325 T N -1.084 113.518 114.554 0.081 0.000 3.069 1325 T HA 0.247 4.599 4.350 0.003 0.000 0.252 1325 T C 1.357 176.127 174.700 0.117 0.000 1.053 1325 T CA 0.376 62.522 62.100 0.077 0.000 0.964 1325 T CB -0.093 68.806 68.868 0.051 0.000 1.005 1325 T HN 0.020 nan 8.240 nan 0.000 0.532 1326 R N -0.447 120.162 120.500 0.183 0.000 2.573 1326 R HA 0.408 4.749 4.340 0.003 0.000 0.224 1326 R C 0.566 177.091 176.300 0.375 0.000 0.904 1326 R CA -0.356 55.939 56.100 0.324 0.000 0.995 1326 R CB 0.418 30.954 30.300 0.395 0.000 1.430 1326 R HN 0.304 nan 8.270 nan 0.000 0.631 1327 I N 2.172 122.860 120.570 0.198 0.000 2.996 1327 I HA -0.231 3.940 4.170 0.003 0.000 0.311 1327 I C -0.902 175.276 176.117 0.102 0.000 1.219 1327 I CA 1.003 62.321 61.300 0.030 0.000 1.452 1327 I CB 0.217 38.222 38.000 0.009 0.000 1.319 1327 I HN 0.055 nan 8.210 nan 0.000 0.564 1328 Y N 6.067 126.296 120.300 -0.117 0.000 2.406 1328 Y HA 0.416 4.967 4.550 0.003 0.000 0.340 1328 Y C -0.663 175.217 175.900 -0.034 0.000 0.975 1328 Y CA -0.628 57.451 58.100 -0.036 0.000 1.056 1328 Y CB 1.764 40.225 38.460 0.002 0.000 1.210 1328 Y HN 0.516 nan 8.280 nan 0.000 0.448 1329 T N 4.727 118.946 114.554 -0.558 0.000 2.807 1329 T HA 0.128 4.479 4.350 0.003 0.000 0.279 1329 T C 0.751 175.085 174.700 -0.611 0.000 0.993 1329 T CA -0.803 61.044 62.100 -0.423 0.000 0.970 1329 T CB 0.934 69.649 68.868 -0.255 0.000 0.950 1329 T HN 0.729 nan 8.240 nan 0.000 0.441 1330 N N 1.247 119.798 118.700 -0.248 0.000 2.585 1330 N HA -0.109 4.633 4.740 0.003 0.000 0.188 1330 N C 0.626 176.122 175.510 -0.022 0.000 1.102 1330 N CA 0.405 53.420 53.050 -0.058 0.000 0.920 1330 N CB 0.021 38.569 38.487 0.102 0.000 0.963 1330 N HN 0.398 nan 8.380 nan 0.000 0.447 1331 S N 0.115 115.740 115.700 -0.125 0.000 2.411 1331 S HA 0.162 4.633 4.470 0.003 0.000 0.304 1331 S C 0.618 175.120 174.600 -0.165 0.000 1.098 1331 S CA -0.956 57.142 58.200 -0.169 0.000 1.068 1331 S CB -0.871 62.212 63.200 -0.196 0.000 1.032 1331 S HN 0.360 nan 8.310 nan 0.000 0.511 1332 F N 4.277 124.182 119.950 -0.075 0.000 2.502 1332 F HA 0.186 4.714 4.527 0.003 0.000 0.298 1332 F C 1.388 177.173 175.800 -0.025 0.000 1.111 1332 F CA 0.227 58.201 58.000 -0.043 0.000 1.445 1332 F CB -0.204 38.803 39.000 0.013 0.000 1.081 1332 F HN 0.503 nan 8.300 nan 0.000 0.558 1333 I N 1.100 121.226 120.570 -0.739 0.000 2.716 1333 I HA -0.108 4.063 4.170 0.003 0.000 0.259 1333 I C 1.202 177.188 176.117 -0.218 0.000 1.172 1333 I CA 1.118 62.126 61.300 -0.487 0.000 1.478 1333 I CB -0.738 36.896 38.000 -0.610 0.000 1.104 1333 I HN 0.127 nan 8.210 nan 0.000 0.439 1334 D N 0.929 121.208 120.400 -0.202 0.000 2.083 1334 D HA -0.141 4.501 4.640 0.003 0.000 0.199 1334 D C 2.305 178.560 176.300 -0.074 0.000 0.980 1334 D CA 1.144 55.070 54.000 -0.123 0.000 0.851 1334 D CB -0.014 40.710 40.800 -0.126 0.000 0.997 1334 D HN 0.024 nan 8.370 nan 0.000 0.449 1335 I N 1.018 121.547 120.570 -0.068 0.000 2.504 1335 I HA -0.407 3.764 4.170 0.003 0.000 0.230 1335 I C 2.402 178.524 176.117 0.008 0.000 0.933 1335 I CA 1.633 62.920 61.300 -0.021 0.000 1.236 1335 I CB -1.023 36.979 38.000 0.004 0.000 0.947 1335 I HN 0.316 nan 8.210 nan 0.000 0.390 1336 M N 0.926 120.543 119.600 0.028 0.000 2.088 1336 M HA -0.271 4.210 4.480 0.003 0.000 0.256 1336 M C 2.225 178.537 176.300 0.020 0.000 1.071 1336 M CA 2.639 57.966 55.300 0.045 0.000 1.097 1336 M CB -0.652 31.991 32.600 0.072 0.000 1.315 1336 M HN 0.482 nan 8.290 nan 0.000 0.406 1337 E N -1.211 118.987 120.200 -0.003 0.000 2.274 1337 E HA -0.072 4.279 4.350 0.003 0.000 0.194 1337 E C 1.773 178.368 176.600 -0.007 0.000 0.996 1337 E CA 1.104 57.499 56.400 -0.007 0.000 0.840 1337 E CB -0.317 29.371 29.700 -0.021 0.000 0.772 1337 E HN 0.430 nan 8.360 nan 0.000 0.491 1338 V N 1.008 120.917 119.914 -0.010 0.000 2.403 1338 V HA -0.050 4.071 4.120 0.003 0.000 0.239 1338 V C 1.991 178.087 176.094 0.002 0.000 1.041 1338 V CA 0.896 63.190 62.300 -0.009 0.000 1.051 1338 V CB -0.117 31.695 31.823 -0.019 0.000 0.704 1338 V HN 0.257 nan 8.190 nan 0.000 0.472 1339 L N -0.076 121.154 121.223 0.010 0.000 2.640 1339 L HA 0.549 4.891 4.340 0.003 0.000 0.230 1339 L C 0.839 177.724 176.870 0.025 0.000 1.123 1339 L CA 0.594 55.446 54.840 0.020 0.000 0.900 1339 L CB 0.128 42.205 42.059 0.029 0.000 1.146 1339 L HN 0.560 nan 8.230 nan 0.000 0.484 1340 G N 0.253 109.068 108.800 0.026 0.000 2.587 1340 G HA2 -0.192 3.769 3.960 0.003 0.000 0.686 1340 G HA3 -0.192 3.769 3.960 0.003 0.000 0.686 1340 G C 0.005 174.929 174.900 0.041 0.000 1.236 1340 G CA -0.297 44.820 45.100 0.029 0.000 0.820 1340 G HN -0.090 nan 8.290 nan 0.000 0.645 1341 I N 0.421 121.016 120.570 0.042 0.000 2.163 1341 I HA -0.063 4.109 4.170 0.003 0.000 0.243 1341 I C 2.428 178.579 176.117 0.056 0.000 1.085 1341 I CA 2.657 63.988 61.300 0.052 0.000 1.347 1341 I CB -0.144 37.885 38.000 0.050 0.000 1.044 1341 I HN 0.694 nan 8.210 nan 0.000 0.408 1342 E N 0.542 120.770 120.200 0.046 0.000 2.085 1342 E HA -0.216 4.135 4.350 0.003 0.000 0.194 1342 E C 2.159 178.786 176.600 0.045 0.000 0.994 1342 E CA 1.557 57.983 56.400 0.042 0.000 0.801 1342 E CB -0.369 29.351 29.700 0.032 0.000 0.743 1342 E HN 0.623 nan 8.360 nan 0.000 0.453 1343 A N 0.325 123.175 122.820 0.049 0.000 2.067 1343 A HA 0.045 4.367 4.320 0.003 0.000 0.217 1343 A C 2.343 179.980 177.584 0.088 0.000 1.156 1343 A CA 1.322 53.396 52.037 0.061 0.000 0.683 1343 A CB -0.558 18.477 19.000 0.057 0.000 0.808 1343 A HN 0.320 nan 8.150 nan 0.000 0.455 1344 G N -0.140 108.713 108.800 0.087 0.000 2.446 1344 G HA2 -0.270 3.692 3.960 0.003 0.000 0.217 1344 G HA3 -0.270 3.692 3.960 0.003 0.000 0.217 1344 G C 1.725 176.704 174.900 0.131 0.000 1.168 1344 G CA 0.964 46.137 45.100 0.121 0.000 0.771 1344 G HN 0.511 nan 8.290 nan 0.000 0.551 1345 R N 0.564 121.120 120.500 0.093 0.000 2.097 1345 R HA -0.141 4.200 4.340 0.003 0.000 0.236 1345 R C 2.928 179.280 176.300 0.087 0.000 1.135 1345 R CA 1.798 57.942 56.100 0.072 0.000 0.934 1345 R CB -0.630 29.697 30.300 0.045 0.000 0.846 1345 R HN 0.287 nan 8.270 nan 0.000 0.431 1346 A N 0.261 123.130 122.820 0.080 0.000 1.997 1346 A HA -0.198 4.123 4.320 0.003 0.000 0.221 1346 A C 2.235 179.937 177.584 0.197 0.000 1.172 1346 A CA 2.105 54.198 52.037 0.094 0.000 0.645 1346 A CB -0.592 18.444 19.000 0.061 0.000 0.813 1346 A HN 0.607 nan 8.150 nan 0.000 0.454 1347 A N -0.971 121.980 122.820 0.218 0.000 1.984 1347 A HA 0.224 4.546 4.320 0.003 0.000 0.214 1347 A C 2.017 179.714 177.584 0.187 0.000 1.173 1347 A CA 1.179 53.397 52.037 0.302 0.000 0.673 1347 A CB -0.479 18.700 19.000 0.299 0.000 0.830 1347 A HN 0.781 nan 8.150 nan 0.000 0.453 1348 L N -1.062 120.194 121.223 0.055 0.000 2.079 1348 L HA -0.167 4.175 4.340 0.003 0.000 0.210 1348 L C 2.164 178.939 176.870 -0.158 0.000 1.081 1348 L CA 2.497 57.158 54.840 -0.298 0.000 0.752 1348 L CB -0.937 40.963 42.059 -0.266 0.000 0.896 1348 L HN 0.539 nan 8.230 nan 0.000 0.433 1349 Y N 0.416 120.655 120.300 -0.102 0.000 2.084 1349 Y HA -0.248 4.304 4.550 0.003 0.000 0.279 1349 Y C 2.747 178.662 175.900 0.026 0.000 1.119 1349 Y CA 2.183 60.244 58.100 -0.065 0.000 1.101 1349 Y CB -0.404 38.001 38.460 -0.091 0.000 0.989 1349 Y HN 0.135 nan 8.280 nan 0.000 0.484 1350 K N -0.056 120.593 120.400 0.414 0.000 2.207 1350 K HA -0.349 3.972 4.320 0.003 0.000 0.208 1350 K C 1.875 178.581 176.600 0.176 0.000 1.046 1350 K CA 2.194 58.670 56.287 0.314 0.000 0.929 1350 K CB -0.183 32.490 32.500 0.288 0.000 0.720 1350 K HN 0.391 nan 8.250 nan 0.000 0.463 1351 E N -0.080 120.187 120.200 0.110 0.000 2.008 1351 E HA -0.104 4.248 4.350 0.003 0.000 0.191 1351 E C 1.876 178.456 176.600 -0.033 0.000 0.986 1351 E CA 1.199 57.639 56.400 0.067 0.000 0.807 1351 E CB -0.236 29.481 29.700 0.029 0.000 0.766 1351 E HN 0.050 nan 8.360 nan 0.000 0.450 1352 V N 0.777 120.608 119.914 -0.139 0.000 2.313 1352 V HA -0.329 3.793 4.120 0.003 0.000 0.253 1352 V C 2.189 178.175 176.094 -0.181 0.000 1.070 1352 V CA 2.341 64.535 62.300 -0.176 0.000 1.057 1352 V CB -0.706 30.980 31.823 -0.229 0.000 0.653 1352 V HN 0.425 nan 8.190 nan 0.000 0.450 1353 Y N 0.871 120.931 120.300 -0.400 0.000 2.224 1353 Y HA -0.220 4.332 4.550 0.003 0.000 0.289 1353 Y C 2.492 178.323 175.900 -0.115 0.000 1.146 1353 Y CA 2.184 60.091 58.100 -0.322 0.000 1.182 1353 Y CB -0.361 37.847 38.460 -0.420 0.000 0.983 1353 Y HN 0.280 nan 8.280 nan 0.000 0.524 1354 N N -0.483 118.198 118.700 -0.032 0.000 2.216 1354 N HA -0.190 4.552 4.740 0.003 0.000 0.183 1354 N C 1.951 177.398 175.510 -0.105 0.000 1.017 1354 N CA 1.182 54.195 53.050 -0.062 0.000 0.861 1354 N CB -0.184 38.347 38.487 0.073 0.000 0.986 1354 N HN 0.330 nan 8.380 nan 0.000 0.428 1355 V N 1.982 121.849 119.914 -0.077 0.000 2.332 1355 V HA -0.209 3.912 4.120 0.003 0.000 0.248 1355 V C 2.108 178.143 176.094 -0.098 0.000 1.055 1355 V CA 1.269 63.530 62.300 -0.065 0.000 1.038 1355 V CB -0.293 31.504 31.823 -0.044 0.000 0.651 1355 V HN 0.180 nan 8.190 nan 0.000 0.450 1356 I N 0.690 121.172 120.570 -0.146 0.000 2.086 1356 I HA -0.125 4.047 4.170 0.003 0.000 0.233 1356 I C 2.822 178.832 176.117 -0.179 0.000 1.060 1356 I CA 2.046 63.258 61.300 -0.147 0.000 1.326 1356 I CB -2.126 35.783 38.000 -0.151 0.000 1.067 1356 I HN 0.331 nan 8.210 nan 0.000 0.398 1357 A N 1.240 123.860 122.820 -0.333 0.000 1.940 1357 A HA -0.228 4.093 4.320 0.003 0.000 0.219 1357 A C 2.502 179.979 177.584 -0.180 0.000 1.176 1357 A CA 2.709 54.552 52.037 -0.324 0.000 0.631 1357 A CB -1.065 17.538 19.000 -0.661 0.000 0.814 1357 A HN 0.624 nan 8.150 nan 0.000 0.446 1358 S N -0.229 115.379 115.700 -0.152 0.000 2.400 1358 S HA -0.223 4.248 4.470 0.003 0.000 0.232 1358 S C 1.402 175.968 174.600 -0.056 0.000 1.025 1358 S CA 1.684 59.837 58.200 -0.080 0.000 0.993 1358 S CB -0.633 62.535 63.200 -0.052 0.000 0.808 1358 S HN 0.582 nan 8.310 nan 0.000 0.478 1359 D N 0.870 121.233 120.400 -0.061 0.000 2.348 1359 D HA 0.267 4.909 4.640 0.003 0.000 0.216 1359 D C 1.462 177.745 176.300 -0.030 0.000 0.970 1359 D CA 1.203 55.179 54.000 -0.039 0.000 0.889 1359 D CB -0.201 40.574 40.800 -0.040 0.000 0.912 1359 D HN 0.599 nan 8.370 nan 0.000 0.524 1360 G N -1.015 107.762 108.800 -0.038 0.000 2.391 1360 G HA2 -0.232 3.729 3.960 0.003 0.000 0.204 1360 G HA3 -0.232 3.729 3.960 0.003 0.000 0.204 1360 G C 0.583 175.478 174.900 -0.009 0.000 1.012 1360 G CA 0.082 45.169 45.100 -0.020 0.000 0.651 1360 G HN 0.311 nan 8.290 nan 0.000 0.494 1361 S N 0.123 115.816 115.700 -0.012 0.000 2.598 1361 S HA 0.520 4.992 4.470 0.003 0.000 0.256 1361 S C -0.430 174.221 174.600 0.085 0.000 1.350 1361 S CA 0.476 58.688 58.200 0.020 0.000 0.984 1361 S CB 1.180 64.377 63.200 -0.005 0.000 0.930 1361 S HN 1.131 nan 8.310 nan 0.000 0.577 1362 Y N 0.175 120.455 120.300 -0.032 0.000 2.386 1362 Y HA 0.563 5.114 4.550 0.003 0.000 0.334 1362 Y C -1.441 174.483 175.900 0.039 0.000 1.002 1362 Y CA -1.607 56.491 58.100 -0.003 0.000 1.068 1362 Y CB 0.677 39.154 38.460 0.029 0.000 1.203 1362 Y HN 0.377 nan 8.280 nan 0.000 0.443 1363 V N 6.350 126.326 119.914 0.104 0.000 2.459 1363 V HA 0.258 4.379 4.120 0.003 0.000 0.295 1363 V C -0.061 176.009 176.094 -0.039 0.000 1.029 1363 V CA -1.168 61.082 62.300 -0.084 0.000 0.874 1363 V CB 1.522 33.378 31.823 0.056 0.000 0.985 1363 V HN 0.844 nan 8.190 nan 0.000 0.438 1364 N N 2.837 121.407 118.700 -0.216 0.000 2.412 1364 N HA -0.089 4.653 4.740 0.003 0.000 0.254 1364 N C 0.914 176.592 175.510 0.280 0.000 1.232 1364 N CA 0.363 53.457 53.050 0.072 0.000 0.880 1364 N CB 0.191 38.674 38.487 -0.006 0.000 1.076 1364 N HN 0.665 nan 8.380 nan 0.000 0.458 1365 Y N 3.946 124.430 120.300 0.308 0.000 2.073 1365 Y HA -0.434 4.118 4.550 0.003 0.000 0.270 1365 Y C 2.269 178.221 175.900 0.087 0.000 1.226 1365 Y CA 2.842 61.115 58.100 0.288 0.000 1.117 1365 Y CB -0.196 38.396 38.460 0.219 0.000 0.939 1365 Y HN 0.791 nan 8.280 nan 0.000 0.504 1366 R N -0.986 119.538 120.500 0.038 0.000 2.200 1366 R HA -0.187 4.154 4.340 0.003 0.000 0.234 1366 R C 1.660 177.789 176.300 -0.286 0.000 1.127 1366 R CA 1.747 57.716 56.100 -0.218 0.000 0.989 1366 R CB -0.957 29.061 30.300 -0.471 0.000 0.869 1366 R HN 0.496 nan 8.270 nan 0.000 0.459 1367 H N 1.613 120.687 119.070 0.007 0.000 2.294 1367 H HA 0.057 4.614 4.556 0.003 0.000 0.306 1367 H C 2.391 177.699 175.328 -0.035 0.000 1.065 1367 H CA 1.737 57.785 56.048 0.000 0.000 1.343 1367 H CB -0.387 29.380 29.762 0.008 0.000 1.396 1367 H HN 0.231 nan 8.280 nan 0.000 0.506 1368 M N 0.707 120.360 119.600 0.088 0.000 2.149 1368 M HA -0.077 4.405 4.480 0.003 0.000 0.261 1368 M C 2.681 178.984 176.300 0.005 0.000 1.064 1368 M CA 1.358 56.656 55.300 -0.004 0.000 1.102 1368 M CB -0.628 31.917 32.600 -0.091 0.000 1.369 1368 M HN 0.189 nan 8.290 nan 0.000 0.408 1369 A N 1.318 124.073 122.820 -0.109 0.000 1.851 1369 A HA -0.174 4.148 4.320 0.003 0.000 0.216 1369 A C 2.224 179.752 177.584 -0.094 0.000 1.195 1369 A CA 1.801 53.703 52.037 -0.226 0.000 0.622 1369 A CB -0.961 17.777 19.000 -0.435 0.000 0.831 1369 A HN 0.457 nan 8.150 nan 0.000 0.444 1370 L N -0.568 120.612 121.223 -0.071 0.000 1.989 1370 L HA -0.147 4.194 4.340 0.003 0.000 0.211 1370 L C 2.314 179.169 176.870 -0.025 0.000 1.071 1370 L CA 2.354 57.176 54.840 -0.029 0.000 0.749 1370 L CB -0.691 41.383 42.059 0.025 0.000 0.890 1370 L HN 0.402 nan 8.230 nan 0.000 0.431 1371 L N -1.095 120.114 121.223 -0.023 0.000 2.013 1371 L HA -0.186 4.155 4.340 0.003 0.000 0.212 1371 L C 2.350 179.191 176.870 -0.047 0.000 1.073 1371 L CA 2.135 56.947 54.840 -0.046 0.000 0.753 1371 L CB -0.927 41.100 42.059 -0.054 0.000 0.890 1371 L HN 0.134 nan 8.230 nan 0.000 0.432 1372 V N 0.130 120.023 119.914 -0.034 0.000 2.220 1372 V HA -0.326 3.796 4.120 0.003 0.000 0.246 1372 V C 2.415 178.501 176.094 -0.013 0.000 1.049 1372 V CA 2.149 64.436 62.300 -0.022 0.000 1.003 1372 V CB -0.805 31.033 31.823 0.025 0.000 0.634 1372 V HN 0.520 nan 8.190 nan 0.000 0.444 1373 D N -0.200 120.191 120.400 -0.016 0.000 2.157 1373 D HA -0.198 4.443 4.640 0.003 0.000 0.191 1373 D C 2.146 178.441 176.300 -0.009 0.000 1.004 1373 D CA 1.845 55.839 54.000 -0.010 0.000 0.854 1373 D CB -0.397 40.392 40.800 -0.019 0.000 0.936 1373 D HN 0.295 nan 8.370 nan 0.000 0.446 1374 V N 0.987 120.888 119.914 -0.021 0.000 2.287 1374 V HA -0.292 3.829 4.120 0.003 0.000 0.248 1374 V C 2.600 178.691 176.094 -0.005 0.000 1.053 1374 V CA 1.675 63.961 62.300 -0.024 0.000 1.027 1374 V CB -0.372 31.421 31.823 -0.051 0.000 0.646 1374 V HN 0.254 nan 8.190 nan 0.000 0.447 1375 M N -1.048 118.550 119.600 -0.004 0.000 2.065 1375 M HA -0.198 4.284 4.480 0.003 0.000 0.259 1375 M C 2.313 178.637 176.300 0.040 0.000 1.069 1375 M CA 2.342 57.656 55.300 0.023 0.000 1.110 1375 M CB -0.861 31.749 32.600 0.016 0.000 1.328 1375 M HN 0.288 nan 8.290 nan 0.000 0.405 1376 T N 0.193 114.768 114.554 0.034 0.000 2.867 1376 T HA -0.082 4.270 4.350 0.003 0.000 0.268 1376 T C 1.698 176.424 174.700 0.044 0.000 1.057 1376 T CA 1.828 63.956 62.100 0.047 0.000 1.136 1376 T CB -0.331 68.564 68.868 0.044 0.000 0.874 1376 T HN 0.584 nan 8.240 nan 0.000 0.466 1377 T N -0.469 114.104 114.554 0.032 0.000 3.148 1377 T HA 0.129 4.481 4.350 0.003 0.000 0.253 1377 T C 1.548 176.269 174.700 0.034 0.000 1.134 1377 T CA 0.315 62.434 62.100 0.032 0.000 1.051 1377 T CB -0.092 68.784 68.868 0.013 0.000 0.959 1377 T HN 0.292 nan 8.240 nan 0.000 0.525 1378 Q N 0.227 120.050 119.800 0.038 0.000 2.451 1378 Q HA 0.264 4.606 4.340 0.003 0.000 0.206 1378 Q C 1.697 177.723 176.000 0.042 0.000 0.947 1378 Q CA 0.651 56.477 55.803 0.039 0.000 0.937 1378 Q CB 0.039 28.801 28.738 0.041 0.000 1.025 1378 Q HN 0.821 nan 8.270 nan 0.000 0.511 1379 G N -0.822 108.005 108.800 0.045 0.000 2.799 1379 G HA2 -0.209 3.753 3.960 0.003 0.000 0.200 1379 G HA3 -0.209 3.753 3.960 0.003 0.000 0.200 1379 G C 0.449 175.378 174.900 0.049 0.000 1.206 1379 G CA -0.275 44.852 45.100 0.045 0.000 0.827 1379 G HN 0.525 nan 8.290 nan 0.000 0.511 1380 G N -0.260 108.570 108.800 0.051 0.000 2.773 1380 G HA2 0.579 4.541 3.960 0.003 0.000 0.186 1380 G HA3 0.579 4.541 3.960 0.003 0.000 0.186 1380 G C -0.059 174.885 174.900 0.073 0.000 1.411 1380 G CA -0.446 44.688 45.100 0.056 0.000 1.054 1380 G HN 0.740 nan 8.290 nan 0.000 0.579 1381 L N 1.955 123.229 121.223 0.086 0.000 2.603 1381 L HA 0.250 4.592 4.340 0.003 0.000 0.242 1381 L C -0.029 176.906 176.870 0.109 0.000 1.169 1381 L CA -0.483 54.428 54.840 0.118 0.000 1.029 1381 L CB 0.363 42.527 42.059 0.174 0.000 1.361 1381 L HN 0.361 nan 8.230 nan 0.000 0.439 1382 T N -0.275 114.334 114.554 0.091 0.000 2.793 1382 T HA 0.078 4.429 4.350 0.003 0.000 0.289 1382 T C 0.885 175.653 174.700 0.113 0.000 0.956 1382 T CA -0.370 61.785 62.100 0.092 0.000 1.177 1382 T CB 0.345 69.261 68.868 0.080 0.000 0.897 1382 T HN 0.577 nan 8.240 nan 0.000 0.533 1383 S N 1.928 117.705 115.700 0.127 0.000 2.589 1383 S HA 0.185 4.656 4.470 0.003 0.000 0.265 1383 S C 0.764 175.476 174.600 0.187 0.000 1.342 1383 S CA -1.080 57.209 58.200 0.149 0.000 1.005 1383 S CB 0.519 63.818 63.200 0.165 0.000 0.909 1383 S HN 0.535 nan 8.310 nan 0.000 0.555 1384 V N 1.258 121.280 119.914 0.179 0.000 3.164 1384 V HA 0.259 4.381 4.120 0.003 0.000 0.388 1384 V C 0.284 176.561 176.094 0.305 0.000 1.279 1384 V CA -0.245 62.198 62.300 0.237 0.000 1.426 1384 V CB -1.837 30.005 31.823 0.032 0.000 1.330 1384 V HN 0.952 nan 8.190 nan 0.000 0.511 1385 T N -0.079 114.609 114.554 0.224 0.000 2.742 1385 T HA 0.320 4.672 4.350 0.003 0.000 0.282 1385 T C 1.227 175.847 174.700 -0.133 0.000 1.025 1385 T CA -0.767 61.428 62.100 0.158 0.000 1.020 1385 T CB 1.700 70.680 68.868 0.187 0.000 1.317 1385 T HN 0.377 nan 8.240 nan 0.000 0.538 1386 R N 0.425 120.846 120.500 -0.131 0.000 2.328 1386 R HA -0.069 4.273 4.340 0.003 0.000 0.207 1386 R C 0.875 176.928 176.300 -0.413 0.000 1.056 1386 R CA 1.401 57.331 56.100 -0.284 0.000 1.016 1386 R CB -0.420 29.752 30.300 -0.213 0.000 0.872 1386 R HN 0.617 nan 8.270 nan 0.000 0.471 1387 H N 0.185 119.223 119.070 -0.054 0.000 2.418 1387 H HA 0.189 4.747 4.556 0.003 0.000 0.300 1387 H C 1.758 177.051 175.328 -0.060 0.000 1.041 1387 H CA 0.940 56.964 56.048 -0.041 0.000 1.364 1387 H CB -0.368 29.397 29.762 0.004 0.000 1.439 1387 H HN 0.334 nan 8.280 nan 0.000 0.540 1388 G N 1.476 110.309 108.800 0.055 0.000 2.781 1388 G HA2 -0.136 3.825 3.960 0.003 0.000 0.157 1388 G HA3 -0.136 3.825 3.960 0.003 0.000 0.157 1388 G C 1.305 176.159 174.900 -0.075 0.000 1.823 1388 G CA 0.527 45.649 45.100 0.036 0.000 0.932 1388 G HN 0.369 nan 8.290 nan 0.000 0.398 1389 F N 1.047 120.946 119.950 -0.084 0.000 2.225 1389 F HA -0.152 4.376 4.527 0.003 0.000 0.302 1389 F C 1.789 177.505 175.800 -0.141 0.000 1.068 1389 F CA 1.827 59.752 58.000 -0.125 0.000 1.327 1389 F CB -0.543 38.346 39.000 -0.185 0.000 1.043 1389 F HN 0.186 nan 8.300 nan 0.000 0.506 1390 N N 0.325 118.422 118.700 -1.005 0.000 2.463 1390 N HA -0.034 4.707 4.740 0.003 0.000 0.181 1390 N C 1.749 177.082 175.510 -0.296 0.000 1.078 1390 N CA 0.502 53.113 53.050 -0.732 0.000 0.902 1390 N CB -0.217 37.760 38.487 -0.850 0.000 0.970 1390 N HN 0.434 nan 8.380 nan 0.000 0.451 1391 R N 0.586 120.961 120.500 -0.208 0.000 2.062 1391 R HA 0.113 4.454 4.340 0.003 0.000 0.226 1391 R C -0.055 176.210 176.300 -0.059 0.000 1.125 1391 R CA 0.881 56.923 56.100 -0.097 0.000 0.966 1391 R CB -0.557 29.714 30.300 -0.048 0.000 0.861 1391 R HN 0.084 nan 8.270 nan 0.000 0.433 1392 S N 2.214 117.890 115.700 -0.040 0.000 2.752 1392 S HA -0.088 4.383 4.470 0.003 0.000 0.329 1392 S C 0.363 174.961 174.600 -0.003 0.000 1.204 1392 S CA 0.281 58.478 58.200 -0.005 0.000 1.252 1392 S CB -0.803 62.409 63.200 0.020 0.000 1.053 1392 S HN 0.710 nan 8.310 nan 0.000 0.533 1393 N N 1.394 120.093 118.700 -0.003 0.000 1.772 1393 N HA -0.369 4.372 4.740 0.003 0.000 0.218 1393 N C 0.480 175.997 175.510 0.011 0.000 1.389 1393 N CA 1.314 54.366 53.050 0.004 0.000 0.875 1393 N CB -1.833 36.661 38.487 0.013 0.000 1.370 1393 N HN 0.862 nan 8.380 nan 0.000 0.677 1394 T N -2.049 112.514 114.554 0.015 0.000 2.856 1394 T HA 0.312 4.663 4.350 0.003 0.000 0.329 1394 T C 1.256 175.970 174.700 0.025 0.000 1.094 1394 T CA -0.223 61.892 62.100 0.024 0.000 1.112 1394 T CB 0.812 69.699 68.868 0.032 0.000 1.009 1394 T HN 0.405 nan 8.240 nan 0.000 0.550 1395 G N 0.324 109.146 108.800 0.037 0.000 2.669 1395 G HA2 0.294 4.255 3.960 0.003 0.000 0.227 1395 G HA3 0.294 4.255 3.960 0.003 0.000 0.227 1395 G C 1.148 176.075 174.900 0.044 0.000 1.210 1395 G CA -0.275 44.858 45.100 0.054 0.000 0.855 1395 G HN 1.229 nan 8.290 nan 0.000 0.551 1396 A N 1.960 124.820 122.820 0.068 0.000 1.872 1396 A HA 0.017 4.339 4.320 0.003 0.000 0.214 1396 A C 2.516 180.084 177.584 -0.026 0.000 1.187 1396 A CA 1.370 53.390 52.037 -0.029 0.000 0.614 1396 A CB -0.425 18.477 19.000 -0.164 0.000 0.826 1396 A HN 0.628 nan 8.150 nan 0.000 0.442 1397 L N -1.035 120.245 121.223 0.094 0.000 2.129 1397 L HA -0.256 4.085 4.340 0.003 0.000 0.212 1397 L C 2.746 179.644 176.870 0.047 0.000 1.087 1397 L CA 1.891 56.786 54.840 0.090 0.000 0.757 1397 L CB -0.344 41.803 42.059 0.146 0.000 0.896 1397 L HN 0.666 nan 8.230 nan 0.000 0.434 1398 M N -0.204 119.425 119.600 0.048 0.000 2.150 1398 M HA -0.236 4.246 4.480 0.003 0.000 0.260 1398 M C 2.366 178.700 176.300 0.056 0.000 1.088 1398 M CA 1.816 57.146 55.300 0.050 0.000 1.108 1398 M CB -0.219 32.410 32.600 0.048 0.000 1.263 1398 M HN -0.071 nan 8.290 nan 0.000 0.431 1399 R N -0.128 120.394 120.500 0.037 0.000 2.185 1399 R HA -0.224 4.118 4.340 0.003 0.000 0.247 1399 R C 2.536 178.858 176.300 0.035 0.000 1.159 1399 R CA 1.469 57.584 56.100 0.026 0.000 0.988 1399 R CB -1.374 28.901 30.300 -0.042 0.000 0.871 1399 R HN 0.732 nan 8.270 nan 0.000 0.458 1400 C N 0.850 120.146 119.300 -0.006 0.000 2.413 1400 C HA -0.088 4.373 4.460 0.003 0.000 0.277 1400 C C 2.582 177.575 174.990 0.004 0.000 1.265 1400 C CA 1.288 60.283 59.018 -0.038 0.000 1.752 1400 C CB -0.869 26.825 27.740 -0.078 0.000 1.998 1400 C HN 0.565 nan 8.230 nan 0.000 0.489 1401 S N -1.065 114.666 115.700 0.051 0.000 2.660 1401 S HA 0.122 4.594 4.470 0.003 0.000 0.223 1401 S C 0.652 175.337 174.600 0.142 0.000 0.963 1401 S CA 0.086 58.326 58.200 0.066 0.000 0.932 1401 S CB -0.590 62.648 63.200 0.063 0.000 0.775 1401 S HN 0.727 nan 8.310 nan 0.000 0.531 1402 F N 1.775 121.726 119.950 0.003 0.000 2.812 1402 F HA 0.475 5.003 4.527 0.003 0.000 0.156 1402 F C 1.928 177.716 175.800 -0.019 0.000 1.267 1402 F CA -0.193 57.822 58.000 0.025 0.000 0.923 1402 F CB -0.103 38.933 39.000 0.060 0.000 2.108 1402 F HN -0.009 nan 8.300 nan 0.000 0.583 1403 E N -0.202 119.815 120.200 -0.305 0.000 2.038 1403 E HA -0.041 4.311 4.350 0.003 0.000 0.190 1403 E C 0.424 176.920 176.600 -0.173 0.000 0.967 1403 E CA 0.706 56.875 56.400 -0.385 0.000 0.816 1403 E CB -0.097 29.319 29.700 -0.474 0.000 0.784 1403 E HN 0.421 nan 8.360 nan 0.000 0.456 1404 E N 1.392 121.529 120.200 -0.105 0.000 2.392 1404 E HA 0.033 4.384 4.350 0.003 0.000 0.307 1404 E C 0.340 176.862 176.600 -0.131 0.000 1.505 1404 E CA -0.184 56.149 56.400 -0.111 0.000 1.716 1404 E CB 0.286 29.929 29.700 -0.094 0.000 1.450 1404 E HN 0.197 nan 8.360 nan 0.000 0.484 1405 T N -0.577 113.894 114.554 -0.139 0.000 2.653 1405 T HA -0.228 4.124 4.350 0.003 0.000 0.268 1405 T C 1.804 176.365 174.700 -0.231 0.000 1.035 1405 T CA 1.035 63.042 62.100 -0.155 0.000 1.154 1405 T CB -0.016 68.770 68.868 -0.137 0.000 0.862 1405 T HN 0.217 nan 8.240 nan 0.000 0.441 1406 V N 1.952 121.697 119.914 -0.282 0.000 2.331 1406 V HA -0.091 4.031 4.120 0.003 0.000 0.242 1406 V C 2.803 178.513 176.094 -0.640 0.000 1.034 1406 V CA 1.651 63.654 62.300 -0.494 0.000 1.027 1406 V CB -0.335 31.204 31.823 -0.474 0.000 0.667 1406 V HN 0.566 nan 8.190 nan 0.000 0.457 1407 E N -0.030 119.965 120.200 -0.341 0.000 2.110 1407 E HA -0.228 4.124 4.350 0.003 0.000 0.193 1407 E C 2.282 178.801 176.600 -0.135 0.000 0.988 1407 E CA 1.471 57.799 56.400 -0.119 0.000 0.804 1407 E CB -0.612 29.085 29.700 -0.005 0.000 0.745 1407 E HN 0.462 nan 8.360 nan 0.000 0.458 1408 I N 1.585 122.047 120.570 -0.180 0.000 2.151 1408 I HA -0.261 3.910 4.170 0.003 0.000 0.243 1408 I C 2.652 178.621 176.117 -0.245 0.000 1.080 1408 I CA 1.217 62.410 61.300 -0.178 0.000 1.339 1408 I CB -0.797 37.106 38.000 -0.161 0.000 1.039 1408 I HN 0.126 nan 8.210 nan 0.000 0.409 1409 L N -1.249 119.777 121.223 -0.329 0.000 2.156 1409 L HA -0.162 4.180 4.340 0.003 0.000 0.208 1409 L C 2.557 179.272 176.870 -0.259 0.000 1.095 1409 L CA 0.967 55.552 54.840 -0.425 0.000 0.770 1409 L CB -0.675 41.131 42.059 -0.422 0.000 0.914 1409 L HN 0.071 nan 8.230 nan 0.000 0.439 1410 F N 1.170 120.971 119.950 -0.249 0.000 2.010 1410 F HA -0.275 4.254 4.527 0.003 0.000 0.296 1410 F C 2.819 178.530 175.800 -0.147 0.000 1.146 1410 F CA 1.421 59.252 58.000 -0.283 0.000 1.181 1410 F CB -0.185 38.571 39.000 -0.407 0.000 0.965 1410 F HN 0.193 nan 8.300 nan 0.000 0.480 1411 E N 0.676 120.931 120.200 0.092 0.000 2.204 1411 E HA -0.141 4.211 4.350 0.003 0.000 0.194 1411 E C 2.035 178.601 176.600 -0.057 0.000 0.989 1411 E CA 1.002 57.422 56.400 0.033 0.000 0.824 1411 E CB -0.505 29.168 29.700 -0.045 0.000 0.756 1411 E HN 0.408 nan 8.360 nan 0.000 0.477 1412 A N 1.674 124.422 122.820 -0.119 0.000 2.119 1412 A HA 0.080 4.401 4.320 0.003 0.000 0.217 1412 A C 2.305 179.812 177.584 -0.128 0.000 1.153 1412 A CA 1.071 52.999 52.037 -0.182 0.000 0.692 1412 A CB -0.489 18.302 19.000 -0.348 0.000 0.799 1412 A HN 0.362 nan 8.150 nan 0.000 0.458 1413 G N -1.656 107.109 108.800 -0.058 0.000 2.939 1413 G HA2 0.322 4.284 3.960 0.003 0.000 0.210 1413 G HA3 0.322 4.284 3.960 0.003 0.000 0.210 1413 G C 1.262 176.238 174.900 0.126 0.000 1.160 1413 G CA 0.937 46.099 45.100 0.102 0.000 0.770 1413 G HN 0.606 nan 8.290 nan 0.000 0.543 1414 A N 0.562 123.419 122.820 0.062 0.000 1.901 1414 A HA 0.255 4.577 4.320 0.003 0.000 0.210 1414 A C 2.392 179.797 177.584 -0.299 0.000 1.208 1414 A CA 1.473 53.444 52.037 -0.109 0.000 0.644 1414 A CB -0.291 18.624 19.000 -0.142 0.000 0.863 1414 A HN 0.168 nan 8.150 nan 0.000 0.454 1415 S N -0.363 115.186 115.700 -0.252 0.000 2.547 1415 S HA 0.251 4.722 4.470 0.003 0.000 0.235 1415 S C 1.142 175.686 174.600 -0.093 0.000 0.980 1415 S CA 0.833 58.882 58.200 -0.252 0.000 0.941 1415 S CB -0.487 62.615 63.200 -0.165 0.000 0.763 1415 S HN 1.632 nan 8.310 nan 0.000 0.532 1416 A N 1.382 124.201 122.820 -0.003 0.000 2.687 1416 A HA -0.216 4.106 4.320 0.003 0.000 0.299 1416 A C 0.236 177.896 177.584 0.127 0.000 1.497 1416 A CA 0.620 52.729 52.037 0.120 0.000 0.751 1416 A CB -1.930 17.220 19.000 0.250 0.000 1.048 1416 A HN 0.601 nan 8.150 nan 0.000 0.464 1417 E N -1.547 118.722 120.200 0.115 0.000 2.437 1417 E HA 0.329 4.680 4.350 0.003 0.000 0.263 1417 E C 0.016 176.704 176.600 0.146 0.000 1.030 1417 E CA -0.009 56.467 56.400 0.126 0.000 0.934 1417 E CB 0.573 30.347 29.700 0.123 0.000 0.943 1417 E HN 0.620 nan 8.360 nan 0.000 0.444 1418 L N 2.312 123.595 121.223 0.100 0.000 2.329 1418 L HA 0.294 4.636 4.340 0.003 0.000 0.279 1418 L C -0.896 176.008 176.870 0.057 0.000 1.014 1418 L CA -0.316 54.552 54.840 0.047 0.000 0.814 1418 L CB 1.810 43.898 42.059 0.048 0.000 1.257 1418 L HN 0.387 nan 8.230 nan 0.000 0.424 1419 D N 1.981 122.389 120.400 0.014 0.000 2.280 1419 D HA 0.154 4.795 4.640 0.003 0.000 0.236 1419 D C 0.493 176.800 176.300 0.012 0.000 1.082 1419 D CA -0.150 53.873 54.000 0.038 0.000 0.834 1419 D CB 1.377 42.210 40.800 0.056 0.000 1.100 1419 D HN 0.592 nan 8.370 nan 0.000 0.486 1420 D N 1.870 122.286 120.400 0.027 0.000 2.126 1420 D HA -0.193 4.448 4.640 0.003 0.000 0.190 1420 D C 0.525 176.832 176.300 0.012 0.000 1.001 1420 D CA 0.836 54.849 54.000 0.020 0.000 0.841 1420 D CB -0.005 40.811 40.800 0.027 0.000 0.949 1420 D HN 0.596 nan 8.370 nan 0.000 0.446 1421 C N -0.298 119.011 119.300 0.015 0.000 4.533 1421 C HA -0.136 4.326 4.460 0.003 0.000 0.304 1421 C C 1.058 176.055 174.990 0.011 0.000 1.316 1421 C CA 0.055 59.078 59.018 0.008 0.000 2.053 1421 C CB -1.761 25.975 27.740 -0.007 0.000 1.242 1421 C HN 0.387 nan 8.230 nan 0.000 0.758 1422 R N -0.275 120.236 120.500 0.019 0.000 2.487 1422 R HA 0.225 4.567 4.340 0.003 0.000 0.272 1422 R C 1.030 177.343 176.300 0.021 0.000 0.928 1422 R CA 0.715 56.829 56.100 0.024 0.000 1.077 1422 R CB 0.034 30.356 30.300 0.037 0.000 1.265 1422 R HN 0.598 nan 8.270 nan 0.000 0.537 1423 G N 0.606 109.418 108.800 0.019 0.000 2.527 1423 G HA2 0.291 4.252 3.960 0.003 0.000 0.248 1423 G HA3 0.291 4.252 3.960 0.003 0.000 0.248 1423 G C 1.206 176.107 174.900 0.002 0.000 1.231 1423 G CA -0.507 44.602 45.100 0.014 0.000 0.838 1423 G HN -0.143 nan 8.290 nan 0.000 0.570 1424 V N 1.950 121.859 119.914 -0.008 0.000 2.220 1424 V HA -0.240 3.882 4.120 0.003 0.000 0.246 1424 V C 3.036 179.126 176.094 -0.006 0.000 1.049 1424 V CA 2.585 64.875 62.300 -0.018 0.000 1.003 1424 V CB -1.093 30.714 31.823 -0.027 0.000 0.634 1424 V HN 0.748 nan 8.190 nan 0.000 0.444 1425 S N 0.337 116.039 115.700 0.004 0.000 2.423 1425 S HA -0.262 4.210 4.470 0.003 0.000 0.238 1425 S C 1.740 176.349 174.600 0.016 0.000 1.028 1425 S CA 1.929 60.137 58.200 0.014 0.000 1.000 1425 S CB -0.477 62.741 63.200 0.031 0.000 0.797 1425 S HN 0.824 nan 8.310 nan 0.000 0.487 1426 E N 1.417 121.627 120.200 0.017 0.000 2.140 1426 E HA 0.051 4.402 4.350 0.003 0.000 0.191 1426 E C 1.498 178.104 176.600 0.009 0.000 0.973 1426 E CA 0.391 56.803 56.400 0.021 0.000 0.829 1426 E CB -0.308 29.409 29.700 0.029 0.000 0.781 1426 E HN 0.506 nan 8.360 nan 0.000 0.466 1427 N N 1.248 119.948 118.700 0.000 0.000 2.331 1427 N HA -0.068 4.674 4.740 0.003 0.000 0.180 1427 N C 2.082 177.587 175.510 -0.008 0.000 1.019 1427 N CA 0.638 53.683 53.050 -0.007 0.000 0.881 1427 N CB 0.221 38.700 38.487 -0.014 0.000 0.972 1427 N HN -0.008 nan 8.380 nan 0.000 0.435 1428 V N 2.175 122.085 119.914 -0.007 0.000 2.255 1428 V HA -0.217 3.904 4.120 0.003 0.000 0.247 1428 V C 2.303 178.397 176.094 -0.001 0.000 1.051 1428 V CA 1.402 63.698 62.300 -0.006 0.000 1.018 1428 V CB -0.386 31.433 31.823 -0.006 0.000 0.641 1428 V HN 0.235 nan 8.190 nan 0.000 0.445 1429 I N -0.586 119.987 120.570 0.005 0.000 2.361 1429 I HA -0.216 3.955 4.170 0.003 0.000 0.251 1429 I C 1.987 178.107 176.117 0.005 0.000 1.133 1429 I CA 1.509 62.814 61.300 0.009 0.000 1.413 1429 I CB -0.140 37.872 38.000 0.019 0.000 1.073 1429 I HN 0.269 nan 8.210 nan 0.000 0.424 1430 L N 0.351 121.574 121.223 0.001 0.000 2.591 1430 L HA 0.206 4.548 4.340 0.003 0.000 0.228 1430 L C 1.244 178.110 176.870 -0.007 0.000 1.133 1430 L CA 0.145 54.982 54.840 -0.005 0.000 0.880 1430 L CB -0.378 41.674 42.059 -0.011 0.000 1.033 1430 L HN 0.391 nan 8.230 nan 0.000 0.450 1431 G N 1.060 109.857 108.800 -0.006 0.000 2.371 1431 G HA2 -0.272 3.690 3.960 0.003 0.000 0.299 1431 G HA3 -0.272 3.690 3.960 0.003 0.000 0.299 1431 G C -0.058 174.837 174.900 -0.010 0.000 1.014 1431 G CA 0.311 45.407 45.100 -0.006 0.000 1.097 1431 G HN 0.472 nan 8.290 nan 0.000 0.512 1432 Q N -1.398 118.394 119.800 -0.013 0.000 2.873 1432 Q HA 0.645 4.986 4.340 0.003 0.000 0.297 1432 Q C 0.353 176.340 176.000 -0.021 0.000 1.064 1432 Q CA -1.203 54.590 55.803 -0.016 0.000 0.816 1432 Q CB 1.128 29.856 28.738 -0.017 0.000 1.481 1432 Q HN 0.303 nan 8.270 nan 0.000 0.488 1433 M N 1.863 121.447 119.600 -0.026 0.000 2.557 1433 M HA 0.307 4.788 4.480 0.003 0.000 0.328 1433 M C -0.830 175.441 176.300 -0.047 0.000 1.423 1433 M CA -0.248 55.029 55.300 -0.039 0.000 1.418 1433 M CB 0.039 32.613 32.600 -0.044 0.000 1.381 1433 M HN 0.684 nan 8.290 nan 0.000 0.467 1434 A N 6.667 129.459 122.820 -0.045 0.000 2.520 1434 A HA 0.301 4.623 4.320 0.003 0.000 0.245 1434 A C -2.318 175.225 177.584 -0.067 0.000 1.072 1434 A CA -1.052 50.958 52.037 -0.046 0.000 0.761 1434 A CB -0.664 18.312 19.000 -0.040 0.000 1.004 1434 A HN 0.578 nan 8.150 nan 0.000 0.499 1435 P HA 0.228 nan 4.420 nan 0.000 0.262 1435 P C -0.936 176.303 177.300 -0.101 0.000 1.455 1435 P CA 0.732 63.786 63.100 -0.077 0.000 1.217 1435 P CB -0.296 31.386 31.700 -0.030 0.000 1.625 1436 I N 0.898 121.389 120.570 -0.131 0.000 2.769 1436 I HA 0.392 4.564 4.170 0.003 0.000 0.298 1436 I C 1.567 177.590 176.117 -0.156 0.000 1.128 1436 I CA -0.340 60.881 61.300 -0.131 0.000 1.031 1436 I CB 1.444 39.384 38.000 -0.099 0.000 1.235 1436 I HN 0.350 nan 8.210 nan 0.000 0.423 1437 G N 2.673 111.393 108.800 -0.134 0.000 3.534 1437 G HA2 -0.421 3.541 3.960 0.003 0.000 0.278 1437 G HA3 -0.421 3.541 3.960 0.003 0.000 0.278 1437 G C 1.225 176.042 174.900 -0.138 0.000 0.991 1437 G CA 2.047 47.090 45.100 -0.095 0.000 0.904 1437 G HN 0.600 nan 8.290 nan 0.000 1.258 1438 T N 0.976 115.459 114.554 -0.119 0.000 2.760 1438 T HA -0.014 4.337 4.350 0.003 0.000 0.269 1438 T C 1.972 176.334 174.700 -0.564 0.000 1.047 1438 T CA 2.127 64.123 62.100 -0.174 0.000 1.139 1438 T CB -0.405 68.425 68.868 -0.063 0.000 0.855 1438 T HN 0.939 nan 8.240 nan 0.000 0.471 1439 G N -0.650 107.881 108.800 -0.449 0.000 3.575 1439 G HA2 0.501 4.462 3.960 0.003 0.000 0.273 1439 G HA3 0.501 4.462 3.960 0.003 0.000 0.273 1439 G C 1.269 175.935 174.900 -0.390 0.000 1.053 1439 G CA 0.509 45.346 45.100 -0.439 0.000 0.803 1439 G HN 0.462 nan 8.290 nan 0.000 0.528 1440 A N 0.892 123.444 122.820 -0.446 0.000 1.873 1440 A HA 0.296 4.618 4.320 0.003 0.000 0.215 1440 A C 1.382 178.978 177.584 0.021 0.000 1.186 1440 A CA 0.971 52.921 52.037 -0.145 0.000 0.616 1440 A CB -0.435 18.538 19.000 -0.045 0.000 0.823 1440 A HN 0.472 nan 8.150 nan 0.000 0.442 1441 F N -1.267 118.808 119.950 0.209 0.000 2.261 1441 F HA 0.706 5.235 4.527 0.003 0.000 0.228 1441 F C 0.016 175.855 175.800 0.066 0.000 0.816 1441 F CA -1.139 56.943 58.000 0.137 0.000 1.114 1441 F CB -0.252 38.797 39.000 0.082 0.000 2.090 1441 F HN -0.007 nan 8.300 nan 0.000 0.634 1442 D N -1.073 119.587 120.400 0.434 0.000 2.836 1442 D HA 0.416 5.057 4.640 0.003 0.000 0.215 1442 D C -1.752 174.695 176.300 0.244 0.000 1.255 1442 D CA -0.225 53.914 54.000 0.233 0.000 0.822 1442 D CB 2.634 43.506 40.800 0.120 0.000 1.656 1442 D HN 0.375 nan 8.370 nan 0.000 0.511 1443 V N 3.814 123.839 119.914 0.185 0.000 2.448 1443 V HA 0.639 4.760 4.120 0.003 0.000 0.295 1443 V C 0.142 176.276 176.094 0.065 0.000 1.025 1443 V CA -0.242 62.131 62.300 0.121 0.000 0.859 1443 V CB 1.461 33.368 31.823 0.139 0.000 0.988 1443 V HN 0.542 nan 8.190 nan 0.000 0.431 1444 M N 3.695 123.317 119.600 0.037 0.000 2.719 1444 M HA 0.626 5.108 4.480 0.003 0.000 0.291 1444 M C -0.466 175.841 176.300 0.012 0.000 1.264 1444 M CA -0.805 54.509 55.300 0.023 0.000 0.811 1444 M CB 1.930 34.541 32.600 0.018 0.000 1.756 1444 M HN 0.443 nan 8.290 nan 0.000 0.464 1445 I N 0.000 120.576 120.570 0.009 0.000 2.984 1445 I HA 0.000 4.172 4.170 0.003 0.000 0.288 1445 I CA 0.000 61.303 61.300 0.005 0.000 1.566 1445 I CB 0.000 38.004 38.000 0.006 0.000 1.214 1445 I HN 0.000 nan 8.210 nan 0.000 0.494