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 2nvq_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 GEPATQMTLN TFHFAGVASK 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 3.959 3.960 -0.001 0.000 0.244 3 G C 0.000 174.904 174.900 0.006 0.000 0.946 3 G CA 0.000 45.102 45.100 0.003 0.000 0.502 4 Q N -0.320 119.489 119.800 0.016 0.000 3.022 4 Q HA 0.591 4.930 4.340 -0.001 0.000 0.313 4 Q C -0.853 175.169 176.000 0.037 0.000 1.018 4 Q CA -0.959 54.855 55.803 0.019 0.000 0.799 4 Q CB 0.902 29.648 28.738 0.013 0.000 1.498 4 Q HN 0.080 nan 8.270 nan 0.000 0.494 5 Q N 0.244 120.067 119.800 0.037 0.000 2.454 5 Q HA 0.100 4.439 4.340 -0.001 0.000 0.247 5 Q C -1.128 174.930 176.000 0.096 0.000 1.028 5 Q CA -0.090 55.749 55.803 0.061 0.000 0.910 5 Q CB 0.531 29.293 28.738 0.039 0.000 1.276 5 Q HN 0.568 nan 8.270 nan 0.000 0.489 6 Y N 0.451 120.753 120.300 0.003 0.000 2.377 6 Y HA 0.127 4.676 4.550 -0.002 0.000 0.330 6 Y C -0.435 175.469 175.900 0.007 0.000 1.108 6 Y CA 0.043 58.146 58.100 0.005 0.000 1.308 6 Y CB 0.942 39.404 38.460 0.004 0.000 1.216 6 Y HN 0.406 nan 8.280 nan 0.000 0.518 7 S N 3.329 118.621 115.700 -0.681 0.000 2.473 7 S HA 0.246 4.715 4.470 -0.001 0.000 0.307 7 S C 0.353 174.456 174.600 -0.829 0.000 1.094 7 S CA -0.286 57.536 58.200 -0.629 0.000 1.070 7 S CB 0.961 64.013 63.200 -0.246 0.000 1.019 7 S HN 0.853 nan 8.310 nan 0.000 0.480 8 S N 3.413 118.744 115.700 -0.615 0.000 2.603 8 S HA 0.325 4.794 4.470 -0.001 0.000 0.220 8 S C 0.855 175.378 174.600 -0.128 0.000 0.967 8 S CA -0.008 57.999 58.200 -0.323 0.000 0.920 8 S CB -0.375 62.723 63.200 -0.171 0.000 0.773 8 S HN 0.967 nan 8.310 nan 0.000 0.529 9 A N 2.975 125.717 122.820 -0.129 0.000 2.466 9 A HA 0.548 4.867 4.320 -0.001 0.000 0.238 9 A C -2.096 175.474 177.584 -0.024 0.000 1.074 9 A CA -1.085 50.917 52.037 -0.057 0.000 0.774 9 A CB -0.492 18.478 19.000 -0.050 0.000 1.015 9 A HN 0.371 nan 8.150 nan 0.000 0.498 10 P HA 0.419 nan 4.420 nan 0.000 0.279 10 P C -0.911 176.399 177.300 0.016 0.000 1.252 10 P CA -0.593 62.519 63.100 0.020 0.000 0.811 10 P CB 0.551 32.263 31.700 0.020 0.000 1.035 11 L N 3.061 124.300 121.223 0.027 0.000 2.265 11 L HA 0.471 4.810 4.340 -0.001 0.000 0.288 11 L C -0.153 176.727 176.870 0.018 0.000 1.058 11 L CA 0.120 54.974 54.840 0.023 0.000 0.809 11 L CB -0.047 42.032 42.059 0.033 0.000 1.179 11 L HN 0.291 nan 8.230 nan 0.000 0.429 12 R N 1.636 122.142 120.500 0.011 0.000 2.651 12 R HA 0.615 4.954 4.340 -0.001 0.000 0.278 12 R C -0.572 175.730 176.300 0.003 0.000 1.010 12 R CA -0.434 55.671 56.100 0.007 0.000 0.896 12 R CB 1.935 32.238 30.300 0.006 0.000 1.211 12 R HN 0.757 nan 8.270 nan 0.000 0.456 13 T N -1.249 113.305 114.554 0.001 0.000 2.816 13 T HA 0.432 4.781 4.350 -0.001 0.000 0.282 13 T C 0.393 175.087 174.700 -0.011 0.000 0.993 13 T CA -0.785 61.312 62.100 -0.004 0.000 0.994 13 T CB 0.868 69.733 68.868 -0.005 0.000 1.025 13 T HN 0.129 nan 8.240 nan 0.000 0.529 14 V N 2.277 122.181 119.914 -0.017 0.000 2.881 14 V HA 0.284 4.403 4.120 -0.001 0.000 0.303 14 V C 0.981 177.060 176.094 -0.026 0.000 1.070 14 V CA -0.327 61.956 62.300 -0.027 0.000 1.074 14 V CB 1.114 32.915 31.823 -0.037 0.000 1.012 14 V HN 0.937 nan 8.190 nan 0.000 0.482 15 K N 1.297 121.679 120.400 -0.031 0.000 2.550 15 K HA 0.368 4.687 4.320 -0.001 0.000 0.205 15 K C 0.071 176.650 176.600 -0.034 0.000 1.429 15 K CA 0.140 56.413 56.287 -0.024 0.000 0.997 15 K CB 1.192 33.684 32.500 -0.013 0.000 1.328 15 K HN 0.699 nan 8.250 nan 0.000 0.546 16 E N 0.871 121.038 120.200 -0.055 0.000 2.340 16 E HA 0.410 4.759 4.350 -0.001 0.000 0.273 16 E C -1.415 175.100 176.600 -0.142 0.000 0.891 16 E CA -0.691 55.662 56.400 -0.079 0.000 0.757 16 E CB 3.266 32.931 29.700 -0.057 0.000 1.231 16 E HN -0.260 nan 8.360 nan 0.000 0.439 17 V N 2.864 122.652 119.914 -0.210 0.000 2.378 17 V HA 0.223 4.343 4.120 -0.001 0.000 0.288 17 V C -0.558 175.238 176.094 -0.496 0.000 1.016 17 V CA -0.731 61.334 62.300 -0.392 0.000 0.840 17 V CB 1.544 33.065 31.823 -0.504 0.000 0.994 17 V HN 0.558 nan 8.190 nan 0.000 0.431 18 Q N 4.381 123.887 119.800 -0.491 0.000 2.466 18 Q HA 0.459 4.798 4.340 -0.001 0.000 0.242 18 Q C -0.759 174.940 176.000 -0.501 0.000 1.046 18 Q CA -0.220 55.319 55.803 -0.440 0.000 0.841 18 Q CB 0.936 29.408 28.738 -0.443 0.000 1.193 18 Q HN 0.623 nan 8.270 nan 0.000 0.508 19 F N 0.245 120.086 119.950 -0.181 0.000 2.410 19 F HA 0.563 5.089 4.527 -0.002 0.000 0.334 19 F C 1.445 177.139 175.800 -0.177 0.000 1.134 19 F CA 0.472 58.376 58.000 -0.160 0.000 1.227 19 F CB 1.232 40.185 39.000 -0.078 0.000 1.194 19 F HN 0.524 nan 8.300 nan 0.000 0.571 20 G N 1.516 110.359 108.800 0.071 0.000 2.588 20 G HA2 0.571 4.530 3.960 -0.001 0.000 0.281 20 G HA3 0.571 4.530 3.960 -0.001 0.000 0.281 20 G C -1.835 173.066 174.900 0.002 0.000 1.223 20 G CA -0.794 44.323 45.100 0.028 0.000 0.871 20 G HN 0.479 nan 8.290 nan 0.000 0.492 21 L N -0.942 120.277 121.223 -0.007 0.000 2.230 21 L HA 0.680 5.019 4.340 -0.001 0.000 0.255 21 L C -1.094 175.589 176.870 -0.312 0.000 1.039 21 L CA -0.915 53.894 54.840 -0.051 0.000 0.846 21 L CB 2.203 44.337 42.059 0.125 0.000 1.419 21 L HN 0.441 nan 8.230 nan 0.000 0.435 22 F N 0.397 120.212 119.950 -0.224 0.000 2.391 22 F HA 0.244 4.770 4.527 -0.001 0.000 0.359 22 F C 0.654 175.943 175.800 -0.850 0.000 1.122 22 F CA -0.211 57.546 58.000 -0.405 0.000 1.120 22 F CB 1.676 40.542 39.000 -0.224 0.000 1.142 22 F HN 0.252 nan 8.300 nan 0.000 0.483 23 S N 6.972 122.129 115.700 -0.904 0.000 2.481 23 S HA 0.088 4.557 4.470 -0.001 0.000 0.282 23 S C -1.164 173.227 174.600 -0.348 0.000 1.243 23 S CA -1.312 56.259 58.200 -1.049 0.000 1.078 23 S CB 0.650 63.470 63.200 -0.633 0.000 0.916 23 S HN 0.420 nan 8.310 nan 0.000 0.495 24 P HA -0.140 nan 4.420 nan 0.000 0.219 24 P C 0.692 177.951 177.300 -0.069 0.000 1.146 24 P CA 1.201 64.256 63.100 -0.075 0.000 0.808 24 P CB 0.068 31.787 31.700 0.032 0.000 0.779 25 E N 0.358 120.538 120.200 -0.034 0.000 2.110 25 E HA -0.188 4.161 4.350 -0.001 0.000 0.193 25 E C 2.204 178.771 176.600 -0.055 0.000 0.988 25 E CA 0.889 57.274 56.400 -0.024 0.000 0.804 25 E CB -0.436 29.285 29.700 0.035 0.000 0.745 25 E HN 0.418 nan 8.360 nan 0.000 0.458 26 E N 0.755 120.917 120.200 -0.062 0.000 2.112 26 E HA -0.127 4.222 4.350 -0.001 0.000 0.190 26 E C 2.079 178.639 176.600 -0.067 0.000 0.979 26 E CA 0.720 57.102 56.400 -0.029 0.000 0.814 26 E CB 0.254 29.966 29.700 0.019 0.000 0.762 26 E HN 0.073 nan 8.360 nan 0.000 0.460 27 V N 1.262 121.085 119.914 -0.151 0.000 2.392 27 V HA -0.289 3.831 4.120 -0.001 0.000 0.249 27 V C 2.397 178.317 176.094 -0.291 0.000 1.059 27 V CA 2.060 64.168 62.300 -0.319 0.000 1.051 27 V CB -0.563 31.047 31.823 -0.356 0.000 0.658 27 V HN 0.236 nan 8.190 nan 0.000 0.455 28 R N 0.094 120.418 120.500 -0.294 0.000 2.062 28 R HA -0.044 4.295 4.340 -0.001 0.000 0.231 28 R C 2.509 178.648 176.300 -0.268 0.000 1.136 28 R CA 1.429 57.269 56.100 -0.434 0.000 0.948 28 R CB -0.692 29.431 30.300 -0.294 0.000 0.845 28 R HN 0.508 nan 8.270 nan 0.000 0.430 29 A N 0.925 123.659 122.820 -0.143 0.000 1.978 29 A HA -0.168 4.151 4.320 -0.001 0.000 0.220 29 A C 2.085 179.637 177.584 -0.053 0.000 1.170 29 A CA 1.226 53.218 52.037 -0.076 0.000 0.636 29 A CB -0.467 18.511 19.000 -0.037 0.000 0.810 29 A HN 0.326 nan 8.150 nan 0.000 0.448 30 I N -0.357 120.177 120.570 -0.060 0.000 2.761 30 I HA -0.064 4.105 4.170 -0.001 0.000 0.261 30 I C 1.587 177.719 176.117 0.025 0.000 1.198 30 I CA 0.800 62.094 61.300 -0.011 0.000 1.482 30 I CB 0.027 38.013 38.000 -0.024 0.000 1.100 30 I HN 0.500 nan 8.210 nan 0.000 0.445 31 S N -0.651 115.052 115.700 0.006 0.000 2.719 31 S HA 0.321 4.790 4.470 -0.001 0.000 0.285 31 S C 0.496 175.164 174.600 0.113 0.000 1.137 31 S CA 0.077 58.343 58.200 0.109 0.000 1.012 31 S CB 1.829 65.145 63.200 0.194 0.000 1.134 31 S HN 0.096 nan 8.310 nan 0.000 0.544 32 V N -3.268 116.741 119.914 0.157 0.000 3.392 32 V HA 0.720 4.839 4.120 -0.001 0.000 0.294 32 V C 0.142 176.307 176.094 0.117 0.000 1.561 32 V CA 0.061 62.425 62.300 0.107 0.000 1.056 32 V CB -0.410 31.454 31.823 0.068 0.000 0.882 32 V HN 1.082 nan 8.190 nan 0.000 0.440 33 A N 0.553 123.472 122.820 0.166 0.000 2.374 33 A HA 0.797 5.116 4.320 -0.001 0.000 0.305 33 A C 0.417 177.971 177.584 -0.050 0.000 1.053 33 A CA -0.446 51.635 52.037 0.073 0.000 0.726 33 A CB 1.968 20.998 19.000 0.049 0.000 1.229 33 A HN 0.214 nan 8.150 nan 0.000 0.431 34 K N 1.669 122.034 120.400 -0.058 0.000 2.116 34 K HA 0.161 4.480 4.320 -0.001 0.000 0.203 34 K C 0.100 176.578 176.600 -0.203 0.000 1.052 34 K CA 0.739 56.946 56.287 -0.134 0.000 0.952 34 K CB -0.079 32.411 32.500 -0.018 0.000 0.729 34 K HN 0.608 nan 8.250 nan 0.000 0.446 35 I N 1.901 122.411 120.570 -0.100 0.000 7.004 35 I HA -0.319 3.850 4.170 -0.001 0.000 0.126 35 I C 0.365 176.435 176.117 -0.078 0.000 1.826 35 I CA 0.751 62.008 61.300 -0.071 0.000 2.066 35 I CB -1.727 36.207 38.000 -0.111 0.000 3.565 35 I HN 0.375 nan 8.210 nan 0.000 0.178 36 R N 0.676 121.153 120.500 -0.038 0.000 2.156 36 R HA 0.206 4.545 4.340 -0.001 0.000 0.207 36 R C 0.273 176.324 176.300 -0.416 0.000 1.040 36 R CA 0.872 56.819 56.100 -0.254 0.000 1.013 36 R CB 0.306 30.388 30.300 -0.363 0.000 0.931 36 R HN 0.243 nan 8.270 nan 0.000 0.465 37 F N 1.072 121.009 119.950 -0.022 0.000 2.480 37 F HA 0.313 4.839 4.527 -0.001 0.000 0.329 37 F C -1.454 174.342 175.800 -0.006 0.000 1.091 37 F CA -2.924 55.070 58.000 -0.011 0.000 0.972 37 F CB 1.487 40.482 39.000 -0.008 0.000 1.150 37 F HN -0.232 nan 8.300 nan 0.000 0.467 38 P HA -0.049 nan 4.420 nan 0.000 0.220 38 P C -0.271 177.097 177.300 0.113 0.000 1.152 38 P CA 0.845 64.009 63.100 0.106 0.000 0.812 38 P CB 0.218 31.968 31.700 0.084 0.000 0.792 39 E N -0.003 120.275 120.200 0.129 0.000 2.415 39 E HA 0.059 4.408 4.350 -0.001 0.000 0.262 39 E C 1.205 177.842 176.600 0.061 0.000 1.038 39 E CA 0.488 56.940 56.400 0.087 0.000 0.921 39 E CB -0.141 29.598 29.700 0.065 0.000 0.950 39 E HN 0.092 nan 8.360 nan 0.000 0.438 40 T N 1.561 116.138 114.554 0.038 0.000 2.975 40 T HA -0.058 4.291 4.350 -0.001 0.000 0.220 40 T C 1.245 175.941 174.700 -0.007 0.000 1.011 40 T CA 1.038 63.145 62.100 0.012 0.000 1.880 40 T CB -0.142 68.723 68.868 -0.005 0.000 1.348 40 T HN 0.601 nan 8.240 nan 0.000 0.415 41 M N -0.141 119.448 119.600 -0.019 0.000 2.292 41 M HA 0.465 4.944 4.480 -0.001 0.000 0.286 41 M C -0.172 176.108 176.300 -0.033 0.000 1.002 41 M CA -0.247 55.035 55.300 -0.030 0.000 1.029 41 M CB -0.003 32.577 32.600 -0.034 0.000 1.537 41 M HN -0.023 nan 8.290 nan 0.000 0.543 42 D N 2.631 123.016 120.400 -0.025 0.000 2.233 42 D HA 0.394 5.033 4.640 -0.001 0.000 0.240 42 D C -1.084 175.195 176.300 -0.036 0.000 1.074 42 D CA 0.074 54.057 54.000 -0.028 0.000 0.838 42 D CB 1.324 42.114 40.800 -0.017 0.000 1.124 42 D HN 0.383 nan 8.370 nan 0.000 0.475 43 E N 0.346 120.515 120.200 -0.051 0.000 2.263 43 E HA 0.327 4.676 4.350 -0.001 0.000 0.268 43 E C -0.531 176.039 176.600 -0.050 0.000 0.884 43 E CA -0.921 55.441 56.400 -0.063 0.000 0.766 43 E CB 1.019 30.650 29.700 -0.114 0.000 1.196 43 E HN 0.182 nan 8.360 nan 0.000 0.416 44 T N 2.715 117.246 114.554 -0.037 0.000 3.473 44 T HA -0.318 4.032 4.350 -0.001 0.000 0.403 44 T C 0.454 175.140 174.700 -0.025 0.000 0.768 44 T CA 1.392 63.476 62.100 -0.027 0.000 2.009 44 T CB -1.759 67.091 68.868 -0.029 0.000 1.715 44 T HN 0.790 nan 8.240 nan 0.000 0.666 45 Q N -2.419 117.368 119.800 -0.021 0.000 2.152 45 Q HA -0.227 4.112 4.340 -0.001 0.000 0.151 45 Q C 0.564 176.550 176.000 -0.024 0.000 0.711 45 Q CA 1.993 57.784 55.803 -0.019 0.000 1.423 45 Q CB -2.091 26.637 28.738 -0.015 0.000 1.466 45 Q HN 0.815 nan 8.270 nan 0.000 0.901 46 T N 1.522 116.059 114.554 -0.029 0.000 2.891 46 T HA 0.008 4.357 4.350 -0.001 0.000 0.296 46 T C 0.322 175.003 174.700 -0.031 0.000 1.025 46 T CA 0.061 62.143 62.100 -0.031 0.000 1.149 46 T CB 0.425 69.270 68.868 -0.037 0.000 1.007 46 T HN 0.105 nan 8.240 nan 0.000 0.528 47 R N 2.407 122.890 120.500 -0.028 0.000 2.878 47 R HA 0.526 4.866 4.340 -0.001 0.000 0.239 47 R C 0.077 176.359 176.300 -0.029 0.000 1.515 47 R CA -0.122 55.962 56.100 -0.028 0.000 1.210 47 R CB -1.592 28.693 30.300 -0.025 0.000 1.209 47 R HN 0.830 nan 8.270 nan 0.000 0.610 48 A N 1.782 124.583 122.820 -0.032 0.000 5.993 48 A HA 0.573 4.893 4.320 -0.001 0.000 0.146 48 A C -1.155 176.408 177.584 -0.035 0.000 0.931 48 A CA -0.546 51.472 52.037 -0.032 0.000 1.254 48 A CB 0.715 19.695 19.000 -0.034 0.000 2.393 48 A HN 0.292 nan 8.150 nan 0.000 1.132 49 K N -0.878 119.499 120.400 -0.038 0.000 2.047 49 K HA 0.817 5.136 4.320 -0.001 0.000 0.244 49 K C -1.231 175.338 176.600 -0.052 0.000 1.048 49 K CA -0.330 55.934 56.287 -0.038 0.000 0.871 49 K CB 0.793 33.275 32.500 -0.029 0.000 1.445 49 K HN 0.704 nan 8.250 nan 0.000 0.514 50 I N -1.101 119.438 120.570 -0.051 0.000 2.722 50 I HA 0.251 4.420 4.170 -0.001 0.000 0.295 50 I C 1.195 177.281 176.117 -0.051 0.000 1.161 50 I CA -1.020 60.230 61.300 -0.084 0.000 1.032 50 I CB 2.056 39.983 38.000 -0.122 0.000 1.244 50 I HN 0.732 nan 8.210 nan 0.000 0.421 51 G N 2.898 111.656 108.800 -0.069 0.000 2.516 51 G HA2 -0.109 3.850 3.960 -0.001 0.000 0.221 51 G HA3 -0.109 3.850 3.960 -0.001 0.000 0.221 51 G C 1.117 176.080 174.900 0.107 0.000 1.107 51 G CA 1.000 46.103 45.100 0.005 0.000 0.747 51 G HN 0.884 nan 8.290 nan 0.000 0.567 52 G N 0.189 109.076 108.800 0.145 0.000 2.699 52 G HA2 0.260 4.219 3.960 -0.001 0.000 0.214 52 G HA3 0.260 4.219 3.960 -0.001 0.000 0.214 52 G C 0.720 175.718 174.900 0.163 0.000 1.350 52 G CA 0.752 46.076 45.100 0.373 0.000 0.873 52 G HN 0.380 nan 8.290 nan 0.000 0.570 53 L N 0.355 121.643 121.223 0.109 0.000 2.874 53 L HA 0.332 4.671 4.340 -0.001 0.000 0.229 53 L C 0.993 177.875 176.870 0.020 0.000 1.200 53 L CA -0.417 54.454 54.840 0.051 0.000 0.976 53 L CB 0.227 42.314 42.059 0.046 0.000 1.887 53 L HN 0.666 nan 8.230 nan 0.000 0.543 54 N N 0.052 118.753 118.700 0.001 0.000 2.014 54 N HA -0.209 4.530 4.740 -0.001 0.000 0.265 54 N C -0.324 175.176 175.510 -0.015 0.000 1.300 54 N CA 1.001 54.041 53.050 -0.017 0.000 1.098 54 N CB -0.249 38.217 38.487 -0.036 0.000 1.458 54 N HN 0.750 nan 8.380 nan 0.000 0.480 55 D N 0.257 120.654 120.400 -0.004 0.000 2.034 55 D HA 0.023 4.662 4.640 -0.001 0.000 0.239 55 D C -2.396 173.912 176.300 0.014 0.000 1.437 55 D CA -0.086 53.914 54.000 -0.001 0.000 1.115 55 D CB -0.617 40.178 40.800 -0.008 0.000 2.733 55 D HN 0.223 nan 8.370 nan 0.000 0.258 56 P HA -0.043 nan 4.420 nan 0.000 0.116 56 P C -0.774 176.544 177.300 0.030 0.000 0.836 56 P CA 1.076 64.189 63.100 0.020 0.000 1.148 56 P CB -1.407 30.309 31.700 0.027 0.000 1.585 57 R N 0.598 121.116 120.500 0.031 0.000 3.144 57 R HA -0.150 4.189 4.340 -0.001 0.000 0.255 57 R C 0.441 176.790 176.300 0.082 0.000 0.949 57 R CA 0.756 56.882 56.100 0.044 0.000 0.649 57 R CB -2.832 27.479 30.300 0.018 0.000 1.229 57 R HN 0.567 nan 8.270 nan 0.000 0.440 58 L N -2.871 118.413 121.223 0.102 0.000 3.631 58 L HA 0.548 4.888 4.340 -0.001 0.000 0.346 58 L C 0.177 177.088 176.870 0.067 0.000 1.329 58 L CA 0.206 55.139 54.840 0.154 0.000 1.018 58 L CB 1.245 43.358 42.059 0.089 0.000 1.412 58 L HN 0.696 nan 8.230 nan 0.000 0.618 59 G N 1.113 109.947 108.800 0.057 0.000 2.653 59 G HA2 0.125 4.084 3.960 -0.001 0.000 0.656 59 G HA3 0.125 4.084 3.960 -0.001 0.000 0.656 59 G C -0.676 174.214 174.900 -0.017 0.000 1.419 59 G CA -0.157 44.944 45.100 0.001 0.000 0.862 59 G HN 0.633 nan 8.290 nan 0.000 0.639 60 S N 0.151 115.842 115.700 -0.016 0.000 2.672 60 S HA 0.832 5.301 4.470 -0.001 0.000 0.276 60 S C 0.321 174.902 174.600 -0.032 0.000 1.207 60 S CA -0.635 57.554 58.200 -0.019 0.000 1.002 60 S CB 1.436 64.629 63.200 -0.011 0.000 0.998 60 S HN 1.150 nan 8.310 nan 0.000 0.542 61 I N 1.385 121.935 120.570 -0.033 0.000 2.862 61 I HA 0.436 4.605 4.170 -0.001 0.000 0.285 61 I C -0.182 175.914 176.117 -0.035 0.000 1.339 61 I CA 0.091 61.368 61.300 -0.039 0.000 1.002 61 I CB 0.554 38.526 38.000 -0.047 0.000 1.618 61 I HN 0.722 nan 8.210 nan 0.000 0.593 62 D N 3.212 123.594 120.400 -0.030 0.000 2.742 62 D HA 0.058 4.697 4.640 -0.001 0.000 0.302 62 D C 0.001 176.287 176.300 -0.023 0.000 1.588 62 D CA -0.178 53.806 54.000 -0.027 0.000 0.873 62 D CB 0.655 41.441 40.800 -0.024 0.000 1.418 62 D HN 0.322 nan 8.370 nan 0.000 0.420 63 R N 0.672 121.157 120.500 -0.024 0.000 3.038 63 R HA -0.220 4.119 4.340 -0.001 0.000 0.242 63 R C -0.852 175.439 176.300 -0.015 0.000 0.866 63 R CA 0.574 56.662 56.100 -0.020 0.000 0.601 63 R CB -1.897 28.391 30.300 -0.019 0.000 1.107 63 R HN 0.139 nan 8.270 nan 0.000 0.492 64 N N 0.408 119.100 118.700 -0.014 0.000 2.295 64 N HA 0.276 5.015 4.740 -0.001 0.000 0.293 64 N C -0.175 175.332 175.510 -0.005 0.000 1.040 64 N CA -0.865 52.179 53.050 -0.010 0.000 0.840 64 N CB 1.236 39.717 38.487 -0.011 0.000 1.468 64 N HN 0.316 nan 8.380 nan 0.000 0.478 65 L N 0.237 121.459 121.223 -0.002 0.000 2.717 65 L HA 0.225 4.564 4.340 -0.001 0.000 0.281 65 L C 0.062 176.936 176.870 0.005 0.000 1.329 65 L CA 0.502 55.344 54.840 0.003 0.000 1.202 65 L CB -0.284 41.777 42.059 0.003 0.000 1.425 65 L HN 0.320 nan 8.230 nan 0.000 0.438 66 K N 1.041 121.446 120.400 0.009 0.000 2.585 66 K HA 0.125 4.444 4.320 -0.001 0.000 0.210 66 K C 0.103 176.717 176.600 0.024 0.000 1.294 66 K CA -0.156 56.137 56.287 0.011 0.000 1.025 66 K CB 0.187 32.688 32.500 0.002 0.000 1.076 66 K HN 0.603 nan 8.250 nan 0.000 0.613 67 c N 4.527 123.150 118.600 0.038 0.000 3.585 67 c HA 0.035 4.604 4.570 -0.001 0.000 0.575 67 c C 0.072 174.217 174.090 0.091 0.000 1.068 67 c CA 0.003 56.381 56.329 0.081 0.000 1.113 67 c CB -2.600 39.966 42.510 0.094 0.000 1.381 67 c HN 0.599 nan 8.230 nan 0.000 0.635 68 Q N 1.647 121.475 119.800 0.046 0.000 2.412 68 Q HA -0.226 4.113 4.340 -0.001 0.000 0.305 68 Q C 0.545 176.540 176.000 -0.008 0.000 1.278 68 Q CA 1.151 56.961 55.803 0.012 0.000 0.910 68 Q CB -2.385 26.351 28.738 -0.003 0.000 1.000 68 Q HN 0.853 nan 8.270 nan 0.000 0.299 69 T N -1.347 113.206 114.554 -0.003 0.000 10.032 69 T HA -0.468 3.881 4.350 -0.001 0.000 0.416 69 T C 1.577 176.274 174.700 -0.004 0.000 1.463 69 T CA 2.152 64.248 62.100 -0.007 0.000 2.454 69 T CB -2.136 66.723 68.868 -0.015 0.000 2.943 69 T HN 1.278 nan 8.240 nan 0.000 1.158 70 C N 1.993 121.291 119.300 -0.003 0.000 2.425 70 C HA -0.094 4.365 4.460 -0.001 0.000 0.277 70 C C 2.150 177.164 174.990 0.040 0.000 1.280 70 C CA 1.907 60.939 59.018 0.024 0.000 1.744 70 C CB -1.326 26.452 27.740 0.063 0.000 1.989 70 C HN 0.817 nan 8.230 nan 0.000 0.491 71 Q N -0.316 119.509 119.800 0.042 0.000 2.365 71 Q HA -0.386 3.953 4.340 -0.001 0.000 0.418 71 Q C 1.065 177.085 176.000 0.034 0.000 0.738 71 Q CA 2.390 58.213 55.803 0.032 0.000 0.990 71 Q CB -1.333 27.415 28.738 0.017 0.000 1.967 71 Q HN 0.565 nan 8.270 nan 0.000 0.954 72 E N -0.209 120.005 120.200 0.023 0.000 3.811 72 E HA -0.295 4.054 4.350 -0.001 0.000 0.301 72 E C 0.842 177.448 176.600 0.009 0.000 0.657 72 E CA 2.683 59.094 56.400 0.017 0.000 1.066 72 E CB -1.854 27.860 29.700 0.024 0.000 1.589 72 E HN 1.291 nan 8.360 nan 0.000 0.431 73 G N 0.098 108.903 108.800 0.009 0.000 2.750 73 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.228 73 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.228 73 G C 0.402 175.297 174.900 -0.008 0.000 1.367 73 G CA 0.390 45.490 45.100 -0.000 0.000 0.871 73 G HN 0.145 nan 8.290 nan 0.000 0.560 74 M N -0.348 119.242 119.600 -0.017 0.000 1.801 74 M HA 0.365 4.844 4.480 -0.001 0.000 0.211 74 M C 1.483 177.769 176.300 -0.023 0.000 1.304 74 M CA 0.514 55.797 55.300 -0.028 0.000 0.912 74 M CB -0.034 32.547 32.600 -0.032 0.000 1.257 74 M HN 1.022 nan 8.290 nan 0.000 0.458 75 N N 0.029 118.712 118.700 -0.028 0.000 2.693 75 N HA -0.220 4.519 4.740 -0.001 0.000 0.249 75 N C -0.143 175.357 175.510 -0.016 0.000 1.119 75 N CA 1.608 54.645 53.050 -0.022 0.000 0.717 75 N CB -0.352 38.125 38.487 -0.017 0.000 1.071 75 N HN 0.806 nan 8.380 nan 0.000 0.555 76 E N -1.946 118.242 120.200 -0.020 0.000 2.094 76 E HA 0.131 4.480 4.350 -0.001 0.000 0.254 76 E C -0.434 176.157 176.600 -0.016 0.000 1.086 76 E CA 0.487 56.880 56.400 -0.012 0.000 1.741 76 E CB -0.577 29.122 29.700 -0.002 0.000 3.572 76 E HN 0.295 nan 8.360 nan 0.000 0.995 77 c N 5.142 123.728 118.600 -0.023 0.000 2.662 77 c HA 0.369 4.938 4.570 -0.001 0.000 0.402 77 c C -1.597 172.415 174.090 -0.131 0.000 1.397 77 c CA -0.668 55.632 56.329 -0.049 0.000 1.575 77 c CB 0.127 42.614 42.510 -0.038 0.000 2.406 77 c HN 0.293 nan 8.230 nan 0.000 0.609 78 P HA 0.243 nan 4.420 nan 0.000 0.236 78 P C 0.473 177.618 177.300 -0.258 0.000 1.709 78 P CA 0.617 63.630 63.100 -0.144 0.000 0.942 78 P CB -0.484 31.181 31.700 -0.058 0.000 1.615 79 G N 1.799 110.337 108.800 -0.436 0.000 3.265 79 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.488 79 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.488 79 G C -0.628 173.981 174.900 -0.486 0.000 0.742 79 G CA -0.565 44.252 45.100 -0.471 0.000 0.841 79 G HN 0.497 nan 8.290 nan 0.000 0.457 80 H N 1.773 120.812 119.070 -0.052 0.000 2.458 80 H HA 0.471 5.026 4.556 -0.001 0.000 0.330 80 H C 0.375 175.694 175.328 -0.014 0.000 1.111 80 H CA -0.855 55.199 56.048 0.011 0.000 1.245 80 H CB 1.007 30.792 29.762 0.039 0.000 1.456 80 H HN 0.378 nan 8.280 nan 0.000 0.488 81 F N 0.946 120.980 119.950 0.142 0.000 2.484 81 F HA 0.270 4.796 4.527 -0.001 0.000 0.360 81 F C 1.370 177.220 175.800 0.082 0.000 1.101 81 F CA 0.408 58.458 58.000 0.082 0.000 1.251 81 F CB 0.907 39.938 39.000 0.053 0.000 1.132 81 F HN 0.565 nan 8.300 nan 0.000 0.570 82 G N 1.708 110.672 108.800 0.274 0.000 2.491 82 G HA2 0.530 4.489 3.960 -0.001 0.000 0.327 82 G HA3 0.530 4.489 3.960 -0.001 0.000 0.327 82 G C -1.750 173.304 174.900 0.256 0.000 1.189 82 G CA -0.532 44.691 45.100 0.204 0.000 0.956 82 G HN 0.832 nan 8.290 nan 0.000 0.491 83 H N -1.742 117.366 119.070 0.064 0.000 2.865 83 H HA 0.754 5.310 4.556 -0.001 0.000 0.372 83 H C -1.467 173.865 175.328 0.006 0.000 1.173 83 H CA -1.197 54.860 56.048 0.015 0.000 1.147 83 H CB 2.259 32.005 29.762 -0.027 0.000 1.805 83 H HN 0.521 nan 8.280 nan 0.000 0.553 84 I N 2.564 123.082 120.570 -0.087 0.000 2.512 84 I HA 0.224 4.393 4.170 -0.001 0.000 0.287 84 I C -1.277 174.830 176.117 -0.017 0.000 1.069 84 I CA -0.829 60.387 61.300 -0.140 0.000 1.056 84 I CB 1.531 39.473 38.000 -0.096 0.000 1.229 84 I HN 0.741 nan 8.210 nan 0.000 0.429 85 D N 7.918 128.310 120.400 -0.015 0.000 2.302 85 D HA 0.274 4.913 4.640 -0.001 0.000 0.248 85 D C -0.580 175.726 176.300 0.010 0.000 1.094 85 D CA 0.014 54.042 54.000 0.046 0.000 0.897 85 D CB 2.462 43.302 40.800 0.066 0.000 1.200 85 D HN 0.303 nan 8.370 nan 0.000 0.429 86 L N 1.977 123.212 121.223 0.020 0.000 2.356 86 L HA 0.334 4.673 4.340 -0.001 0.000 0.277 86 L C 0.957 177.829 176.870 0.003 0.000 0.996 86 L CA -0.429 54.415 54.840 0.008 0.000 0.822 86 L CB 1.754 43.824 42.059 0.019 0.000 1.256 86 L HN 0.443 nan 8.230 nan 0.000 0.413 87 A N 5.975 128.789 122.820 -0.009 0.000 1.842 87 A HA -0.109 4.210 4.320 -0.001 0.000 0.217 87 A C 0.706 178.280 177.584 -0.017 0.000 1.206 87 A CA 1.386 53.415 52.037 -0.013 0.000 0.630 87 A CB -0.006 18.979 19.000 -0.024 0.000 0.839 87 A HN 0.705 nan 8.150 nan 0.000 0.447 88 K N 0.242 120.627 120.400 -0.026 0.000 2.502 88 K HA 0.372 4.691 4.320 -0.001 0.000 0.254 88 K C -2.916 173.662 176.600 -0.037 0.000 0.947 88 K CA -2.337 53.931 56.287 -0.033 0.000 0.834 88 K CB 1.726 34.200 32.500 -0.044 0.000 1.112 88 K HN 0.082 nan 8.250 nan 0.000 0.427 89 P HA -0.165 nan 4.420 nan 0.000 0.257 89 P C -0.337 176.910 177.300 -0.089 0.000 1.144 89 P CA 0.272 63.355 63.100 -0.029 0.000 0.761 89 P CB 0.105 31.793 31.700 -0.019 0.000 0.734 90 V N 1.350 121.230 119.914 -0.056 0.000 3.103 90 V HA 0.550 4.669 4.120 -0.001 0.000 0.318 90 V C 0.318 176.402 176.094 -0.017 0.000 1.114 90 V CA -1.194 61.044 62.300 -0.103 0.000 1.020 90 V CB 0.949 32.771 31.823 -0.001 0.000 1.085 90 V HN 0.094 nan 8.190 nan 0.000 0.446 91 F N 0.616 120.650 119.950 0.140 0.000 2.535 91 F HA 0.364 4.890 4.527 -0.002 0.000 0.332 91 F C 0.635 176.567 175.800 0.220 0.000 1.208 91 F CA 0.310 58.419 58.000 0.182 0.000 1.330 91 F CB -0.067 39.028 39.000 0.159 0.000 1.167 91 F HN 0.833 nan 8.300 nan 0.000 0.597 92 H N 1.039 120.344 119.070 0.392 0.000 2.725 92 H HA 0.371 4.927 4.556 -0.001 0.000 0.283 92 H C 0.809 176.206 175.328 0.115 0.000 1.110 92 H CA -0.726 55.478 56.048 0.260 0.000 1.289 92 H CB 0.663 30.622 29.762 0.330 0.000 1.400 92 H HN 0.458 nan 8.280 nan 0.000 0.493 93 V N 2.475 122.431 119.914 0.071 0.000 2.295 93 V HA -0.400 3.719 4.120 -0.001 0.000 0.261 93 V C 2.254 178.308 176.094 -0.066 0.000 1.097 93 V CA 2.341 64.645 62.300 0.008 0.000 1.100 93 V CB -1.416 30.385 31.823 -0.036 0.000 0.737 93 V HN 0.826 nan 8.190 nan 0.000 0.458 94 G N -1.576 107.077 108.800 -0.245 0.000 2.559 94 G HA2 -0.028 3.932 3.960 -0.001 0.000 0.216 94 G HA3 -0.028 3.932 3.960 -0.001 0.000 0.216 94 G C 1.139 175.543 174.900 -0.826 0.000 1.126 94 G CA 0.832 45.450 45.100 -0.804 0.000 0.778 94 G HN 0.638 nan 8.290 nan 0.000 0.543 95 F N -0.500 119.373 119.950 -0.129 0.000 2.746 95 F HA 0.335 4.861 4.527 -0.001 0.000 0.313 95 F C 2.149 177.916 175.800 -0.056 0.000 1.095 95 F CA -0.791 57.144 58.000 -0.108 0.000 1.224 95 F CB 0.331 39.264 39.000 -0.112 0.000 1.060 95 F HN -0.078 nan 8.300 nan 0.000 0.584 96 I N 1.196 121.804 120.570 0.063 0.000 2.132 96 I HA -0.460 3.709 4.170 -0.001 0.000 0.238 96 I C 2.730 178.828 176.117 -0.033 0.000 1.012 96 I CA 2.170 63.424 61.300 -0.077 0.000 1.288 96 I CB -1.447 36.466 38.000 -0.145 0.000 0.997 96 I HN 0.180 nan 8.210 nan 0.000 0.402 97 A N 0.072 122.877 122.820 -0.025 0.000 1.908 97 A HA -0.286 4.033 4.320 -0.001 0.000 0.218 97 A C 2.355 179.943 177.584 0.006 0.000 1.181 97 A CA 2.386 54.409 52.037 -0.024 0.000 0.627 97 A CB -0.534 18.435 19.000 -0.052 0.000 0.818 97 A HN 0.390 nan 8.150 nan 0.000 0.445 98 K N -0.113 120.316 120.400 0.047 0.000 1.973 98 K HA -0.042 4.277 4.320 -0.001 0.000 0.210 98 K C 1.781 178.474 176.600 0.155 0.000 1.045 98 K CA 1.441 57.774 56.287 0.077 0.000 0.937 98 K CB -0.443 32.129 32.500 0.120 0.000 0.721 98 K HN 0.339 nan 8.250 nan 0.000 0.438 99 I N 1.833 122.506 120.570 0.173 0.000 2.130 99 I HA -0.438 3.731 4.170 -0.001 0.000 0.241 99 I C 2.438 178.758 176.117 0.339 0.000 1.023 99 I CA 1.889 63.345 61.300 0.260 0.000 1.293 99 I CB -1.023 37.160 38.000 0.304 0.000 1.001 99 I HN 0.430 nan 8.210 nan 0.000 0.407 100 K N 1.599 122.121 120.400 0.203 0.000 2.009 100 K HA -0.217 4.102 4.320 -0.001 0.000 0.210 100 K C 2.041 178.807 176.600 0.277 0.000 1.049 100 K CA 1.752 58.152 56.287 0.188 0.000 0.929 100 K CB -0.185 32.369 32.500 0.089 0.000 0.714 100 K HN 0.328 nan 8.250 nan 0.000 0.440 101 K N 0.326 120.879 120.400 0.255 0.000 2.211 101 K HA -0.099 4.220 4.320 -0.001 0.000 0.204 101 K C 2.003 178.905 176.600 0.504 0.000 1.047 101 K CA 1.113 57.612 56.287 0.353 0.000 0.935 101 K CB 0.038 32.473 32.500 -0.108 0.000 0.728 101 K HN 0.018 nan 8.250 nan 0.000 0.452 102 V N 0.371 120.561 119.914 0.460 0.000 2.591 102 V HA -0.223 3.896 4.120 -0.001 0.000 0.249 102 V C 2.242 178.620 176.094 0.472 0.000 1.053 102 V CA 1.197 63.790 62.300 0.488 0.000 1.068 102 V CB -0.207 31.842 31.823 0.376 0.000 0.689 102 V HN 0.415 nan 8.190 nan 0.000 0.462 103 C N 0.243 119.812 119.300 0.449 0.000 2.425 103 C HA -0.154 4.305 4.460 -0.001 0.000 0.277 103 C C 2.478 177.594 174.990 0.209 0.000 1.280 103 C CA 0.951 60.130 59.018 0.269 0.000 1.744 103 C CB -1.024 26.821 27.740 0.174 0.000 1.989 103 C HN 0.611 nan 8.230 nan 0.000 0.491 104 E N -1.106 119.243 120.200 0.247 0.000 2.478 104 E HA -0.125 4.224 4.350 -0.001 0.000 0.198 104 E C 1.743 178.403 176.600 0.099 0.000 1.046 104 E CA 0.585 57.079 56.400 0.157 0.000 0.870 104 E CB -0.054 29.753 29.700 0.179 0.000 0.818 104 E HN 0.681 nan 8.360 nan 0.000 0.527 105 C N -0.011 119.392 119.300 0.172 0.000 2.700 105 C HA 0.183 4.642 4.460 -0.001 0.000 0.297 105 C C 0.804 175.865 174.990 0.119 0.000 1.293 105 C CA -0.387 58.700 59.018 0.116 0.000 1.756 105 C CB 0.420 28.239 27.740 0.132 0.000 2.210 105 C HN 0.018 nan 8.230 nan 0.000 0.553 106 V N 0.154 120.163 119.914 0.159 0.000 2.667 106 V HA 0.350 4.469 4.120 -0.001 0.000 0.308 106 V C 0.131 176.290 176.094 0.108 0.000 1.048 106 V CA -0.817 61.569 62.300 0.143 0.000 0.928 106 V CB 1.346 33.288 31.823 0.199 0.000 1.004 106 V HN 0.403 nan 8.190 nan 0.000 0.444 107 C N 5.946 125.301 119.300 0.093 0.000 2.657 107 C HA 0.443 4.902 4.460 -0.001 0.000 0.404 107 C C 0.549 175.594 174.990 0.091 0.000 1.291 107 C CA -0.539 58.535 59.018 0.094 0.000 2.218 107 C CB -0.065 27.724 27.740 0.082 0.000 2.687 107 C HN 0.791 nan 8.230 nan 0.000 0.634 108 M N 4.714 124.395 119.600 0.134 0.000 2.227 108 M HA 0.320 4.799 4.480 -0.001 0.000 0.316 108 M C 1.219 177.631 176.300 0.187 0.000 1.144 108 M CA 0.388 55.752 55.300 0.107 0.000 1.121 108 M CB -0.035 32.657 32.600 0.153 0.000 1.440 108 M HN 0.990 nan 8.290 nan 0.000 0.473 109 H N -0.041 119.021 119.070 -0.013 0.000 1.562 109 H HA -0.279 4.276 4.556 -0.001 0.000 0.090 109 H C 1.633 176.929 175.328 -0.052 0.000 0.613 109 H CA 2.328 58.352 56.048 -0.039 0.000 1.889 109 H CB -1.630 28.103 29.762 -0.048 0.000 2.240 109 H HN 0.897 nan 8.280 nan 0.000 0.959 110 C N 2.965 122.329 119.300 0.107 0.000 2.446 110 C HA 0.412 4.871 4.460 -0.001 0.000 0.279 110 C C 1.719 176.710 174.990 0.003 0.000 1.366 110 C CA 1.150 60.177 59.018 0.015 0.000 1.763 110 C CB -1.109 26.637 27.740 0.010 0.000 1.929 110 C HN 1.419 nan 8.230 nan 0.000 0.509 111 G N 1.421 110.244 108.800 0.038 0.000 2.381 111 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.281 111 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.281 111 G C -0.449 174.492 174.900 0.068 0.000 0.984 111 G CA 0.707 45.840 45.100 0.055 0.000 1.339 111 G HN 1.028 nan 8.290 nan 0.000 0.485 112 K N 0.796 121.239 120.400 0.071 0.000 2.532 112 K HA 0.520 4.840 4.320 -0.001 0.000 0.265 112 K C 0.574 177.220 176.600 0.077 0.000 0.948 112 K CA -1.234 55.094 56.287 0.069 0.000 0.842 112 K CB 1.415 33.943 32.500 0.047 0.000 1.392 112 K HN 0.224 nan 8.250 nan 0.000 0.436 113 L N 4.426 125.697 121.223 0.079 0.000 2.559 113 L HA -0.098 4.241 4.340 -0.001 0.000 0.282 113 L C 1.379 178.285 176.870 0.060 0.000 1.232 113 L CA 0.232 55.117 54.840 0.075 0.000 0.885 113 L CB 0.265 42.368 42.059 0.072 0.000 1.131 113 L HN 0.647 nan 8.230 nan 0.000 0.498 114 L N 3.972 125.226 121.223 0.051 0.000 2.168 114 L HA 0.053 4.392 4.340 -0.001 0.000 0.203 114 L C 0.683 177.578 176.870 0.041 0.000 1.078 114 L CA 0.690 55.555 54.840 0.041 0.000 0.780 114 L CB -0.118 41.958 42.059 0.027 0.000 0.939 114 L HN 0.493 nan 8.230 nan 0.000 0.451 115 L N 1.185 122.430 121.223 0.036 0.000 2.581 115 L HA 0.296 4.635 4.340 -0.001 0.000 0.241 115 L C -0.961 175.932 176.870 0.038 0.000 1.265 115 L CA -0.600 54.263 54.840 0.038 0.000 0.954 115 L CB 0.539 42.608 42.059 0.016 0.000 1.269 115 L HN 0.059 nan 8.230 nan 0.000 0.475 116 D N 1.432 121.867 120.400 0.059 0.000 2.368 116 D HA 0.077 4.716 4.640 -0.001 0.000 0.240 116 D C 0.864 177.247 176.300 0.139 0.000 1.169 116 D CA 0.262 54.283 54.000 0.036 0.000 0.906 116 D CB 2.222 43.059 40.800 0.062 0.000 1.187 116 D HN 0.492 nan 8.370 nan 0.000 0.435 117 E N -0.727 119.452 120.200 -0.035 0.000 1.337 117 E HA -0.116 4.233 4.350 -0.001 0.000 0.210 117 E C -0.059 176.330 176.600 -0.351 0.000 1.024 117 E CA -0.275 55.940 56.400 -0.308 0.000 1.046 117 E CB -0.051 29.374 29.700 -0.457 0.000 4.653 117 E HN 0.580 nan 8.360 nan 0.000 0.704 118 H N 1.178 120.254 119.070 0.009 0.000 2.498 118 H HA -0.250 4.305 4.556 -0.001 0.000 0.398 118 H C 0.474 175.806 175.328 0.006 0.000 2.201 118 H CA 1.459 57.511 56.048 0.006 0.000 1.304 118 H CB -0.786 28.979 29.762 0.005 0.000 1.436 118 H HN 0.396 nan 8.280 nan 0.000 0.441 119 N N 1.458 120.248 118.700 0.150 0.000 2.560 119 N HA -0.227 4.512 4.740 -0.001 0.000 0.296 119 N C -0.545 174.988 175.510 0.039 0.000 1.257 119 N CA 1.272 54.365 53.050 0.071 0.000 0.717 119 N CB -0.578 37.946 38.487 0.061 0.000 0.951 119 N HN 0.644 nan 8.380 nan 0.000 0.542 120 E N 3.416 123.636 120.200 0.033 0.000 1.985 120 E HA 0.244 4.593 4.350 -0.001 0.000 0.268 120 E C 1.122 177.730 176.600 0.014 0.000 1.219 120 E CA 0.270 56.682 56.400 0.020 0.000 0.942 120 E CB -0.040 29.672 29.700 0.020 0.000 1.045 120 E HN 0.634 nan 8.360 nan 0.000 0.413 121 L N 3.395 124.624 121.223 0.010 0.000 1.768 121 L HA -0.079 4.260 4.340 -0.001 0.000 0.209 121 L C 0.875 177.749 176.870 0.007 0.000 1.261 121 L CA 0.097 54.942 54.840 0.008 0.000 1.367 121 L CB -0.400 41.662 42.059 0.005 0.000 2.595 121 L HN 0.489 nan 8.230 nan 0.000 0.489 122 M N 0.094 119.697 119.600 0.005 0.000 2.441 122 M HA 0.188 4.667 4.480 -0.001 0.000 0.244 122 M C 1.642 177.940 176.300 -0.003 0.000 1.122 122 M CA 1.131 56.432 55.300 0.002 0.000 1.041 122 M CB -0.098 32.503 32.600 0.003 0.000 1.438 122 M HN 0.030 nan 8.290 nan 0.000 0.484 123 R N -0.507 119.989 120.500 -0.006 0.000 2.064 123 R HA -0.140 4.199 4.340 -0.001 0.000 0.228 123 R C 1.992 178.292 176.300 -0.001 0.000 1.144 123 R CA 2.132 58.224 56.100 -0.013 0.000 0.932 123 R CB -0.443 29.851 30.300 -0.010 0.000 0.833 123 R HN 0.443 nan 8.270 nan 0.000 0.429 124 Q N 0.342 120.146 119.800 0.007 0.000 2.079 124 Q HA -0.011 4.328 4.340 -0.001 0.000 0.200 124 Q C 1.201 177.212 176.000 0.019 0.000 0.974 124 Q CA 1.355 57.166 55.803 0.013 0.000 0.840 124 Q CB -0.009 28.738 28.738 0.015 0.000 0.898 124 Q HN 0.285 nan 8.270 nan 0.000 0.430 125 A N 0.187 123.018 122.820 0.019 0.000 2.900 125 A HA 0.249 4.568 4.320 -0.001 0.000 0.246 125 A C 0.787 178.388 177.584 0.029 0.000 1.725 125 A CA 0.400 52.453 52.037 0.026 0.000 1.400 125 A CB -0.569 18.444 19.000 0.022 0.000 0.973 125 A HN 0.456 nan 8.150 nan 0.000 0.635 126 L N -2.340 118.901 121.223 0.030 0.000 1.791 126 L HA 0.166 4.505 4.340 -0.001 0.000 0.194 126 L C 2.093 178.982 176.870 0.033 0.000 1.229 126 L CA 0.851 55.711 54.840 0.033 0.000 1.234 126 L CB -0.551 41.520 42.059 0.020 0.000 2.550 126 L HN 0.310 nan 8.230 nan 0.000 0.511 127 A N 0.548 123.382 122.820 0.024 0.000 2.067 127 A HA -0.033 4.286 4.320 -0.001 0.000 0.219 127 A C 1.126 178.727 177.584 0.029 0.000 1.158 127 A CA 0.428 52.479 52.037 0.023 0.000 0.661 127 A CB -0.574 18.436 19.000 0.016 0.000 0.801 127 A HN 0.392 nan 8.150 nan 0.000 0.452 128 I N 0.942 121.532 120.570 0.033 0.000 2.741 128 I HA -0.040 4.129 4.170 -0.001 0.000 0.288 128 I C -0.038 176.105 176.117 0.043 0.000 1.192 128 I CA 0.163 61.486 61.300 0.038 0.000 1.426 128 I CB 0.332 38.358 38.000 0.042 0.000 1.367 128 I HN 0.181 nan 8.210 nan 0.000 0.563 129 K N 7.081 127.504 120.400 0.039 0.000 2.249 129 K HA 0.253 4.572 4.320 -0.001 0.000 0.280 129 K C -0.933 175.691 176.600 0.041 0.000 1.033 129 K CA -0.286 56.024 56.287 0.038 0.000 0.946 129 K CB 0.516 33.036 32.500 0.033 0.000 1.005 129 K HN 0.640 nan 8.250 nan 0.000 0.469 130 D N 1.374 121.798 120.400 0.041 0.000 2.956 130 D HA -0.083 4.556 4.640 -0.001 0.000 0.172 130 D C -0.624 175.701 176.300 0.041 0.000 1.072 130 D CA -0.012 54.011 54.000 0.038 0.000 1.205 130 D CB -0.199 40.625 40.800 0.039 0.000 0.555 130 D HN 0.460 nan 8.370 nan 0.000 0.529 131 S N 1.536 117.250 115.700 0.023 0.000 2.872 131 S HA -0.126 4.343 4.470 -0.001 0.000 0.240 131 S C 1.347 175.932 174.600 -0.025 0.000 0.983 131 S CA 0.840 59.043 58.200 0.004 0.000 1.012 131 S CB 0.589 63.772 63.200 -0.029 0.000 0.797 131 S HN 0.415 nan 8.310 nan 0.000 0.540 132 K N -0.139 120.272 120.400 0.018 0.000 3.010 132 K HA 0.133 4.452 4.320 -0.001 0.000 0.205 132 K C 0.834 177.484 176.600 0.084 0.000 1.704 132 K CA 0.059 56.346 56.287 0.000 0.000 1.297 132 K CB -0.049 32.428 32.500 -0.038 0.000 2.032 132 K HN -0.061 nan 8.250 nan 0.000 0.573 133 K N 1.692 122.137 120.400 0.074 0.000 2.366 133 K HA 0.037 4.356 4.320 -0.001 0.000 0.198 133 K C 1.799 178.469 176.600 0.116 0.000 1.044 133 K CA 0.667 57.008 56.287 0.091 0.000 0.973 133 K CB -0.004 32.533 32.500 0.063 0.000 0.767 133 K HN 0.106 nan 8.250 nan 0.000 0.475 134 R N 0.146 120.720 120.500 0.123 0.000 2.057 134 R HA -0.089 4.250 4.340 -0.001 0.000 0.229 134 R C 1.998 178.401 176.300 0.171 0.000 1.136 134 R CA 1.313 57.488 56.100 0.125 0.000 0.952 134 R CB -0.539 29.828 30.300 0.112 0.000 0.848 134 R HN 0.239 nan 8.270 nan 0.000 0.430 135 F N 1.732 121.716 119.950 0.058 0.000 2.115 135 F HA -0.274 4.252 4.527 -0.001 0.000 0.300 135 F C 2.204 178.079 175.800 0.124 0.000 1.092 135 F CA 1.918 59.970 58.000 0.086 0.000 1.245 135 F CB -0.385 38.639 39.000 0.041 0.000 0.995 135 F HN 0.226 nan 8.300 nan 0.000 0.481 136 A N 0.633 123.666 122.820 0.354 0.000 1.859 136 A HA -0.215 4.104 4.320 -0.001 0.000 0.217 136 A C 2.443 180.132 177.584 0.175 0.000 1.198 136 A CA 2.384 54.576 52.037 0.258 0.000 0.629 136 A CB -1.734 17.380 19.000 0.191 0.000 0.830 136 A HN 0.572 nan 8.150 nan 0.000 0.446 137 A N -0.426 122.466 122.820 0.121 0.000 1.908 137 A HA -0.113 4.206 4.320 -0.001 0.000 0.218 137 A C 2.157 179.768 177.584 0.045 0.000 1.181 137 A CA 1.637 53.722 52.037 0.080 0.000 0.627 137 A CB -0.647 18.391 19.000 0.063 0.000 0.818 137 A HN 0.531 nan 8.150 nan 0.000 0.445 138 I N -2.650 117.926 120.570 0.011 0.000 2.058 138 I HA -0.296 3.873 4.170 -0.001 0.000 0.235 138 I C 2.392 178.477 176.117 -0.054 0.000 1.053 138 I CA 1.928 63.201 61.300 -0.045 0.000 1.313 138 I CB -0.470 37.471 38.000 -0.098 0.000 1.039 138 I HN 0.690 nan 8.210 nan 0.000 0.396 139 W N 1.757 122.865 121.300 -0.321 0.000 2.304 139 W HA -0.310 4.349 4.660 -0.001 0.000 0.315 139 W C 2.646 179.101 176.519 -0.107 0.000 1.233 139 W CA 2.609 59.798 57.345 -0.261 0.000 1.261 139 W CB -0.694 28.576 29.460 -0.317 0.000 1.150 139 W HN 0.061 nan 8.180 nan 0.000 0.494 140 T N 1.035 115.629 114.554 0.068 0.000 2.778 140 T HA -0.229 4.120 4.350 -0.001 0.000 0.269 140 T C 1.754 176.335 174.700 -0.199 0.000 1.050 140 T CA 1.795 63.849 62.100 -0.077 0.000 1.137 140 T CB -0.374 68.541 68.868 0.078 0.000 0.860 140 T HN 0.198 nan 8.240 nan 0.000 0.468 141 L N 0.365 121.499 121.223 -0.148 0.000 2.286 141 L HA 0.132 4.471 4.340 -0.001 0.000 0.203 141 L C 2.272 179.051 176.870 -0.151 0.000 1.068 141 L CA 0.483 55.252 54.840 -0.120 0.000 0.811 141 L CB -0.009 42.015 42.059 -0.059 0.000 0.989 141 L HN 0.416 nan 8.230 nan 0.000 0.467 142 C N -1.575 117.620 119.300 -0.176 0.000 2.688 142 C HA 0.244 4.703 4.460 -0.001 0.000 0.297 142 C C 2.072 176.929 174.990 -0.220 0.000 1.308 142 C CA -0.650 58.277 59.018 -0.151 0.000 1.726 142 C CB -1.293 26.398 27.740 -0.082 0.000 1.982 142 C HN 0.415 nan 8.230 nan 0.000 0.604 143 K N 0.692 120.857 120.400 -0.392 0.000 2.305 143 K HA 0.053 4.372 4.320 -0.001 0.000 0.199 143 K C 1.340 177.781 176.600 -0.266 0.000 1.047 143 K CA 1.738 57.755 56.287 -0.450 0.000 0.976 143 K CB -0.937 31.009 32.500 -0.924 0.000 0.765 143 K HN 0.314 nan 8.250 nan 0.000 0.474 144 T N 0.636 115.060 114.554 -0.218 0.000 3.085 144 T HA 0.065 4.414 4.350 -0.001 0.000 0.263 144 T C 0.260 174.909 174.700 -0.085 0.000 1.127 144 T CA 0.226 62.246 62.100 -0.134 0.000 1.103 144 T CB 0.014 68.814 68.868 -0.113 0.000 0.921 144 T HN 0.035 nan 8.240 nan 0.000 0.510 145 K N 1.688 122.040 120.400 -0.081 0.000 2.379 145 K HA 0.331 4.651 4.320 -0.001 0.000 0.284 145 K C 0.280 176.868 176.600 -0.020 0.000 1.044 145 K CA 0.269 56.531 56.287 -0.041 0.000 0.974 145 K CB 0.903 33.383 32.500 -0.033 0.000 0.962 145 K HN 0.301 nan 8.250 nan 0.000 0.474 146 M N 1.432 121.031 119.600 -0.000 0.000 2.268 146 M HA 0.049 4.528 4.480 -0.001 0.000 0.355 146 M C -0.260 176.067 176.300 0.045 0.000 0.938 146 M CA -0.240 55.076 55.300 0.026 0.000 1.025 146 M CB 1.095 33.708 32.600 0.021 0.000 1.773 146 M HN 0.198 nan 8.290 nan 0.000 0.613 147 V N -3.308 116.622 119.914 0.027 0.000 2.769 147 V HA 0.380 4.499 4.120 -0.001 0.000 0.312 147 V C 0.346 176.453 176.094 0.021 0.000 1.061 147 V CA -1.007 61.308 62.300 0.025 0.000 0.931 147 V CB 1.794 33.624 31.823 0.011 0.000 1.010 147 V HN 0.327 nan 8.190 nan 0.000 0.433 148 C N 1.635 120.944 119.300 0.016 0.000 2.697 148 C HA 0.349 4.808 4.460 -0.001 0.000 0.267 148 C C 0.862 175.853 174.990 0.001 0.000 1.278 148 C CA 0.357 59.383 59.018 0.013 0.000 1.708 148 C CB -2.462 25.284 27.740 0.010 0.000 1.860 148 C HN 1.130 nan 8.230 nan 0.000 0.589 149 E N -0.883 119.314 120.200 -0.004 0.000 7.817 149 E HA -0.168 4.181 4.350 -0.001 0.000 0.465 149 E C 0.820 177.410 176.600 -0.018 0.000 0.577 149 E CA 0.541 56.935 56.400 -0.010 0.000 1.011 149 E CB -0.581 29.115 29.700 -0.006 0.000 0.978 149 E HN 0.469 nan 8.360 nan 0.000 0.274 150 T N 1.453 115.994 114.554 -0.021 0.000 2.588 150 T HA -0.120 4.229 4.350 -0.001 0.000 0.261 150 T C 0.531 175.214 174.700 -0.028 0.000 1.069 150 T CA 1.549 63.633 62.100 -0.025 0.000 1.172 150 T CB -0.088 68.765 68.868 -0.025 0.000 0.863 150 T HN 0.476 nan 8.240 nan 0.000 0.408 151 D N -1.438 118.943 120.400 -0.031 0.000 2.970 151 D HA 0.447 5.086 4.640 -0.001 0.000 0.344 151 D C -1.332 174.938 176.300 -0.050 0.000 1.365 151 D CA -0.402 53.571 54.000 -0.045 0.000 0.910 151 D CB 1.788 42.556 40.800 -0.053 0.000 1.445 151 D HN 0.212 nan 8.370 nan 0.000 0.532 152 V N -1.885 117.981 119.914 -0.081 0.000 2.960 152 V HA 0.705 4.824 4.120 -0.001 0.000 0.315 152 V C -2.669 173.376 176.094 -0.082 0.000 1.087 152 V CA -2.043 60.209 62.300 -0.080 0.000 0.982 152 V CB 1.271 33.032 31.823 -0.105 0.000 1.039 152 V HN 0.331 nan 8.190 nan 0.000 0.437 153 P HA 0.004 nan 4.420 nan 0.000 0.267 153 P C 0.566 177.837 177.300 -0.048 0.000 1.175 153 P CA 0.752 63.830 63.100 -0.037 0.000 0.763 153 P CB 0.243 31.934 31.700 -0.015 0.000 0.795 162 V N 0.660 120.524 119.914 -0.083 0.000 2.569 162 V HA 0.518 4.637 4.120 -0.001 0.000 0.301 162 V C -0.735 175.292 176.094 -0.112 0.000 1.044 162 V CA -0.566 61.666 62.300 -0.113 0.000 0.874 162 V CB 2.157 33.858 31.823 -0.203 0.000 1.002 162 V HN 0.712 nan 8.190 nan 0.000 0.424 163 S N 5.443 121.097 115.700 -0.077 0.000 2.429 163 S HA 0.906 5.375 4.470 -0.001 0.000 0.302 163 S C -0.462 174.111 174.600 -0.046 0.000 1.115 163 S CA -0.986 57.180 58.200 -0.057 0.000 1.095 163 S CB 1.499 64.677 63.200 -0.037 0.000 0.987 163 S HN 0.894 nan 8.310 nan 0.000 0.474 164 R N 0.849 121.325 120.500 -0.040 0.000 2.799 164 R HA 0.817 5.156 4.340 -0.001 0.000 0.270 164 R C 0.087 176.385 176.300 -0.004 0.000 1.010 164 R CA -0.725 55.368 56.100 -0.011 0.000 0.916 164 R CB -0.162 30.145 30.300 0.011 0.000 1.228 164 R HN 0.641 nan 8.270 nan 0.000 0.469 165 G N -0.428 108.376 108.800 0.007 0.000 2.414 165 G HA2 0.400 4.359 3.960 -0.001 0.000 0.236 165 G HA3 0.400 4.359 3.960 -0.001 0.000 0.236 165 G C -0.043 174.859 174.900 0.003 0.000 1.293 165 G CA 0.219 45.320 45.100 0.002 0.000 0.869 165 G HN 1.078 nan 8.290 nan 0.000 0.556 166 G N -0.528 108.268 108.800 -0.006 0.000 2.226 166 G HA2 0.422 4.381 3.960 -0.001 0.000 0.257 166 G HA3 0.422 4.381 3.960 -0.001 0.000 0.257 166 G C -0.426 174.463 174.900 -0.019 0.000 1.732 166 G CA -0.285 44.812 45.100 -0.005 0.000 0.914 166 G HN 1.640 nan 8.290 nan 0.000 0.742 167 C N 1.618 120.903 119.300 -0.025 0.000 2.200 167 C HA 0.693 5.152 4.460 -0.001 0.000 0.328 167 C C 1.521 176.476 174.990 -0.059 0.000 1.148 167 C CA -0.385 58.602 59.018 -0.050 0.000 1.624 167 C CB 0.053 27.752 27.740 -0.069 0.000 2.167 167 C HN 1.670 nan 8.230 nan 0.000 0.484 168 G N 4.630 113.398 108.800 -0.054 0.000 2.707 168 G HA2 0.020 3.979 3.960 -0.001 0.000 0.271 168 G HA3 0.020 3.979 3.960 -0.001 0.000 0.271 168 G C 0.162 175.022 174.900 -0.066 0.000 0.681 168 G CA 0.111 45.183 45.100 -0.047 0.000 2.072 168 G HN 0.857 nan 8.290 nan 0.000 0.569 169 N N 0.217 118.873 118.700 -0.073 0.000 2.492 169 N HA 0.263 5.002 4.740 -0.001 0.000 0.289 169 N C 0.112 175.618 175.510 -0.007 0.000 1.133 169 N CA -0.234 52.758 53.050 -0.096 0.000 0.961 169 N CB 1.152 39.527 38.487 -0.187 0.000 1.186 169 N HN 0.006 nan 8.380 nan 0.000 0.493 170 T N 1.442 116.005 114.554 0.015 0.000 2.769 170 T HA 0.048 4.397 4.350 -0.001 0.000 0.293 170 T C 0.555 175.411 174.700 0.260 0.000 0.931 170 T CA -0.050 62.125 62.100 0.125 0.000 1.139 170 T CB 0.296 69.260 68.868 0.160 0.000 0.881 170 T HN 0.225 nan 8.240 nan 0.000 0.532 171 Q N 4.415 124.346 119.800 0.219 0.000 2.286 171 Q HA 0.219 4.558 4.340 -0.001 0.000 0.257 171 Q C -2.005 174.130 176.000 0.224 0.000 0.941 171 Q CA -2.105 53.846 55.803 0.245 0.000 0.912 171 Q CB 0.843 29.660 28.738 0.132 0.000 1.192 171 Q HN 0.394 nan 8.270 nan 0.000 0.410 172 P HA -0.017 nan 4.420 nan 0.000 0.270 172 P C -0.923 176.264 177.300 -0.189 0.000 1.223 172 P CA -0.128 62.804 63.100 -0.280 0.000 0.785 172 P CB 0.510 31.930 31.700 -0.467 0.000 0.923 173 T N 2.439 116.838 114.554 -0.259 0.000 3.176 173 T HA 0.335 4.684 4.350 -0.001 0.000 0.301 173 T C 0.663 175.267 174.700 -0.160 0.000 1.115 173 T CA -0.207 61.801 62.100 -0.152 0.000 1.027 173 T CB -0.986 67.811 68.868 -0.119 0.000 1.063 173 T HN 0.213 nan 8.240 nan 0.000 0.669 174 I N 3.315 123.826 120.570 -0.099 0.000 2.471 174 I HA 0.344 4.513 4.170 -0.001 0.000 0.286 174 I C 0.807 176.912 176.117 -0.019 0.000 1.079 174 I CA -0.149 61.113 61.300 -0.063 0.000 1.398 174 I CB 0.524 38.526 38.000 0.003 0.000 1.403 174 I HN 0.318 nan 8.210 nan 0.000 0.530 175 R N 5.382 125.864 120.500 -0.030 0.000 2.808 175 R HA 0.408 4.748 4.340 -0.001 0.000 0.272 175 R C -0.949 175.344 176.300 -0.011 0.000 0.995 175 R CA -1.000 55.095 56.100 -0.009 0.000 0.917 175 R CB 2.061 32.348 30.300 -0.021 0.000 1.217 175 R HN 0.515 nan 8.270 nan 0.000 0.471 176 K N 1.685 122.081 120.400 -0.006 0.000 2.205 176 K HA 0.114 4.433 4.320 -0.001 0.000 0.279 176 K C -1.408 175.185 176.600 -0.012 0.000 1.027 176 K CA -0.138 56.136 56.287 -0.022 0.000 0.932 176 K CB 0.884 33.369 32.500 -0.025 0.000 1.032 176 K HN 0.451 nan 8.250 nan 0.000 0.466 177 D N 3.047 123.441 120.400 -0.010 0.000 2.763 177 D HA 0.354 4.993 4.640 -0.001 0.000 0.235 177 D C 0.321 176.635 176.300 0.023 0.000 1.334 177 D CA 0.792 54.796 54.000 0.007 0.000 0.950 177 D CB 1.269 42.075 40.800 0.010 0.000 1.433 177 D HN 0.750 nan 8.370 nan 0.000 0.580 178 G N 3.159 111.975 108.800 0.028 0.000 2.634 178 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.318 178 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.318 178 G C 0.566 175.491 174.900 0.041 0.000 1.207 178 G CA 0.767 45.897 45.100 0.050 0.000 0.987 178 G HN 1.077 nan 8.290 nan 0.000 0.547 179 L N -1.878 119.392 121.223 0.078 0.000 3.209 179 L HA 0.714 5.053 4.340 -0.001 0.000 0.279 179 L C 0.222 177.150 176.870 0.097 0.000 1.301 179 L CA -0.536 54.340 54.840 0.059 0.000 1.004 179 L CB 0.197 42.330 42.059 0.124 0.000 1.402 179 L HN 0.307 nan 8.230 nan 0.000 0.577 180 K N 0.949 121.400 120.400 0.084 0.000 2.433 180 K HA 0.772 5.092 4.320 -0.001 0.000 0.252 180 K C -1.236 175.397 176.600 0.055 0.000 1.015 180 K CA -0.808 55.596 56.287 0.195 0.000 0.860 180 K CB 3.068 35.708 32.500 0.232 0.000 1.359 180 K HN 0.055 nan 8.250 nan 0.000 0.452 181 L N 2.049 123.345 121.223 0.122 0.000 2.345 181 L HA 0.360 4.699 4.340 -0.001 0.000 0.274 181 L C -0.478 176.414 176.870 0.036 0.000 0.999 181 L CA -1.048 53.823 54.840 0.051 0.000 0.849 181 L CB 1.559 43.656 42.059 0.064 0.000 1.220 181 L HN 0.293 nan 8.230 nan 0.000 0.422 182 V N 1.444 121.350 119.914 -0.013 0.000 3.051 182 V HA 0.518 4.637 4.120 -0.001 0.000 0.306 182 V C 0.867 176.869 176.094 -0.154 0.000 1.083 182 V CA -0.237 62.023 62.300 -0.066 0.000 1.104 182 V CB 1.199 32.982 31.823 -0.066 0.000 1.027 182 V HN 0.902 nan 8.190 nan 0.000 0.483 183 G N 0.999 109.616 108.800 -0.305 0.000 2.975 183 G HA2 0.419 4.378 3.960 -0.001 0.000 0.299 183 G HA3 0.419 4.378 3.960 -0.001 0.000 0.299 183 G C -0.620 173.663 174.900 -1.029 0.000 1.587 183 G CA -0.228 44.495 45.100 -0.628 0.000 1.052 183 G HN 0.672 nan 8.290 nan 0.000 0.545 184 S N 1.650 116.952 115.700 -0.663 0.000 2.523 184 S HA 0.642 5.111 4.470 -0.001 0.000 0.275 184 S C -0.299 173.992 174.600 -0.515 0.000 1.281 184 S CA -0.485 57.438 58.200 -0.462 0.000 1.050 184 S CB 0.422 63.496 63.200 -0.209 0.000 0.937 184 S HN 0.436 nan 8.310 nan 0.000 0.492 185 W N 3.480 124.793 121.300 0.021 0.000 2.689 185 W HA 0.580 5.240 4.660 -0.001 0.000 0.340 185 W C 0.228 176.754 176.519 0.012 0.000 1.060 185 W CA -0.852 56.504 57.345 0.019 0.000 1.218 185 W CB 1.854 31.330 29.460 0.026 0.000 1.410 185 W HN 0.619 nan 8.180 nan 0.000 0.528 200 R N 1.452 122.056 120.500 0.174 0.000 2.474 200 R HA 0.098 4.437 4.340 -0.001 0.000 0.290 200 R C -0.663 175.709 176.300 0.121 0.000 0.918 200 R CA 0.074 56.288 56.100 0.191 0.000 1.130 200 R CB 0.178 30.679 30.300 0.335 0.000 0.881 200 R HN 0.412 nan 8.270 nan 0.000 0.416 201 V N 3.335 123.297 119.914 0.080 0.000 2.732 201 V HA 0.241 4.361 4.120 -0.001 0.000 0.297 201 V C 0.275 176.426 176.094 0.095 0.000 1.060 201 V CA -0.845 61.489 62.300 0.056 0.000 1.038 201 V CB 1.186 33.036 31.823 0.046 0.000 1.003 201 V HN 0.538 nan 8.190 nan 0.000 0.481 202 L N 4.320 125.598 121.223 0.091 0.000 2.385 202 L HA 0.290 4.629 4.340 -0.001 0.000 0.285 202 L C 1.024 177.963 176.870 0.115 0.000 1.125 202 L CA 0.872 55.781 54.840 0.115 0.000 0.890 202 L CB 0.477 42.602 42.059 0.110 0.000 1.251 202 L HN 0.958 nan 8.230 nan 0.000 0.445 203 S N 1.433 117.178 115.700 0.075 0.000 2.558 203 S HA -0.031 4.438 4.470 -0.001 0.000 0.291 203 S C 1.532 176.110 174.600 -0.037 0.000 1.306 203 S CA 0.010 58.226 58.200 0.026 0.000 1.056 203 S CB 0.641 63.852 63.200 0.018 0.000 0.836 203 S HN 0.759 nan 8.310 nan 0.000 0.504 204 T N 3.947 118.405 114.554 -0.160 0.000 2.746 204 T HA -0.112 4.238 4.350 -0.001 0.000 0.267 204 T C 1.629 176.214 174.700 -0.191 0.000 1.039 204 T CA 1.543 63.420 62.100 -0.371 0.000 1.142 204 T CB -0.384 68.076 68.868 -0.679 0.000 0.866 204 T HN 0.826 nan 8.240 nan 0.000 0.444 205 E N 0.605 120.733 120.200 -0.120 0.000 2.204 205 E HA -0.150 4.199 4.350 -0.001 0.000 0.194 205 E C 2.318 178.892 176.600 -0.044 0.000 0.989 205 E CA 0.609 56.970 56.400 -0.065 0.000 0.824 205 E CB 0.045 29.717 29.700 -0.048 0.000 0.756 205 E HN 0.452 nan 8.360 nan 0.000 0.477 206 E N 0.384 120.557 120.200 -0.045 0.000 2.072 206 E HA -0.157 4.192 4.350 -0.001 0.000 0.191 206 E C 1.918 178.480 176.600 -0.064 0.000 0.985 206 E CA 0.907 57.283 56.400 -0.040 0.000 0.801 206 E CB 0.016 29.703 29.700 -0.021 0.000 0.750 206 E HN 0.370 nan 8.360 nan 0.000 0.452 207 I N 1.772 122.297 120.570 -0.075 0.000 3.111 207 I HA -0.160 4.009 4.170 -0.001 0.000 0.272 207 I C 2.446 178.482 176.117 -0.134 0.000 1.268 207 I CA 0.030 61.238 61.300 -0.153 0.000 1.467 207 I CB -0.172 37.772 38.000 -0.093 0.000 1.087 207 I HN 0.182 nan 8.210 nan 0.000 0.467 208 L N 2.106 123.317 121.223 -0.020 0.000 1.976 208 L HA -0.203 4.136 4.340 -0.001 0.000 0.209 208 L C 2.195 179.098 176.870 0.055 0.000 1.071 208 L CA 2.171 57.047 54.840 0.059 0.000 0.746 208 L CB -0.745 41.339 42.059 0.041 0.000 0.890 208 L HN 0.417 nan 8.230 nan 0.000 0.432 209 N N 0.710 119.424 118.700 0.023 0.000 2.244 209 N HA -0.181 4.558 4.740 -0.001 0.000 0.183 209 N C 1.834 177.396 175.510 0.085 0.000 1.016 209 N CA 1.326 54.410 53.050 0.057 0.000 0.866 209 N CB -0.241 38.288 38.487 0.071 0.000 0.980 209 N HN 0.367 nan 8.380 nan 0.000 0.430 210 I N 0.876 121.434 120.570 -0.020 0.000 2.208 210 I HA -0.202 3.967 4.170 -0.001 0.000 0.245 210 I C 1.941 178.054 176.117 -0.007 0.000 1.097 210 I CA 1.104 62.358 61.300 -0.077 0.000 1.363 210 I CB -1.271 36.579 38.000 -0.250 0.000 1.051 210 I HN -0.066 nan 8.210 nan 0.000 0.413 211 F N 1.151 121.118 119.950 0.028 0.000 2.293 211 F HA -0.027 4.499 4.527 -0.002 0.000 0.297 211 F C 2.516 178.292 175.800 -0.041 0.000 1.089 211 F CA 0.758 58.749 58.000 -0.015 0.000 1.377 211 F CB -0.835 38.132 39.000 -0.055 0.000 1.051 211 F HN 0.045 nan 8.300 nan 0.000 0.511 212 K N -0.955 119.523 120.400 0.129 0.000 2.147 212 K HA -0.154 4.165 4.320 -0.001 0.000 0.205 212 K C 2.063 178.596 176.600 -0.113 0.000 1.049 212 K CA 1.093 57.365 56.287 -0.025 0.000 0.936 212 K CB -0.018 32.442 32.500 -0.066 0.000 0.722 212 K HN 0.273 nan 8.250 nan 0.000 0.446 213 H N 0.212 119.288 119.070 0.010 0.000 2.275 213 H HA -0.045 4.511 4.556 -0.001 0.000 0.315 213 H C 1.794 177.106 175.328 -0.026 0.000 1.058 213 H CA 1.542 57.581 56.048 -0.015 0.000 1.387 213 H CB 0.050 29.808 29.762 -0.007 0.000 1.435 213 H HN -0.000 nan 8.280 nan 0.000 0.530 214 I N -0.304 120.365 120.570 0.164 0.000 4.899 214 I HA -0.435 3.734 4.170 -0.001 0.000 0.039 214 I C 0.889 177.020 176.117 0.024 0.000 0.635 214 I CA 2.106 63.473 61.300 0.112 0.000 0.249 214 I CB -1.779 36.322 38.000 0.169 0.000 0.341 214 I HN 0.525 nan 8.210 nan 0.000 0.151 215 S N -2.652 112.981 115.700 -0.112 0.000 2.758 215 S HA 0.210 4.679 4.470 -0.001 0.000 0.278 215 S C 0.123 174.417 174.600 -0.511 0.000 0.905 215 S CA -0.053 58.017 58.200 -0.217 0.000 0.960 215 S CB 0.076 63.227 63.200 -0.083 0.000 1.211 215 S HN 0.381 nan 8.310 nan 0.000 0.462 216 V N 2.584 122.204 119.914 -0.490 0.000 2.332 216 V HA -0.020 4.099 4.120 -0.001 0.000 0.248 216 V C 1.831 177.781 176.094 -0.239 0.000 1.055 216 V CA 2.056 63.998 62.300 -0.596 0.000 1.038 216 V CB -0.544 31.111 31.823 -0.280 0.000 0.651 216 V HN 0.717 nan 8.190 nan 0.000 0.450 217 K N -0.371 119.990 120.400 -0.066 0.000 2.969 217 K HA 0.180 4.499 4.320 -0.001 0.000 0.222 217 K C -0.185 176.493 176.600 0.129 0.000 1.172 217 K CA -0.095 56.228 56.287 0.061 0.000 1.192 217 K CB 0.285 32.799 32.500 0.024 0.000 1.111 217 K HN 0.445 nan 8.250 nan 0.000 0.457 218 D N -0.761 119.789 120.400 0.249 0.000 3.028 218 D HA 0.219 4.858 4.640 -0.001 0.000 0.205 218 D C 0.605 177.077 176.300 0.286 0.000 1.489 218 D CA -0.259 53.885 54.000 0.240 0.000 1.452 218 D CB 0.011 40.941 40.800 0.217 0.000 1.052 218 D HN 0.014 nan 8.370 nan 0.000 0.221 219 F N 0.224 120.224 119.950 0.082 0.000 2.484 219 F HA -0.453 4.073 4.527 -0.001 0.000 0.231 219 F C 2.063 177.965 175.800 0.171 0.000 1.469 219 F CA 2.981 61.018 58.000 0.062 0.000 1.998 219 F CB -1.272 37.726 39.000 -0.003 0.000 0.484 219 F HN 0.204 nan 8.300 nan 0.000 0.213 220 T N -1.319 113.475 114.554 0.400 0.000 2.849 220 T HA -0.155 4.194 4.350 -0.001 0.000 0.270 220 T C 1.574 176.383 174.700 0.181 0.000 1.066 220 T CA 1.679 63.922 62.100 0.239 0.000 1.130 220 T CB -0.690 68.323 68.868 0.242 0.000 0.864 220 T HN 0.431 nan 8.240 nan 0.000 0.481 221 S N 1.712 117.530 115.700 0.196 0.000 2.481 221 S HA 0.143 4.612 4.470 -0.001 0.000 0.231 221 S C 1.089 175.794 174.600 0.174 0.000 0.996 221 S CA 0.463 58.755 58.200 0.152 0.000 0.942 221 S CB -0.331 62.945 63.200 0.127 0.000 0.768 221 S HN 0.690 nan 8.310 nan 0.000 0.520 222 L N -1.465 119.904 121.223 0.242 0.000 3.218 222 L HA 0.688 5.027 4.340 -0.001 0.000 0.279 222 L C 0.546 177.621 176.870 0.341 0.000 1.287 222 L CA -0.454 54.604 54.840 0.363 0.000 1.024 222 L CB -0.556 41.783 42.059 0.466 0.000 1.409 222 L HN 0.026 nan 8.230 nan 0.000 0.580 223 G N 0.192 109.085 108.800 0.155 0.000 2.462 223 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.283 223 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.283 223 G C -0.485 174.281 174.900 -0.223 0.000 1.043 223 G CA 0.171 45.253 45.100 -0.031 0.000 1.300 223 G HN 0.350 nan 8.290 nan 0.000 0.518 224 F N 0.527 120.376 119.950 -0.168 0.000 2.824 224 F HA 0.258 4.784 4.527 -0.002 0.000 0.368 224 F C 0.609 176.213 175.800 -0.327 0.000 1.398 224 F CA -1.086 56.710 58.000 -0.339 0.000 1.142 224 F CB 0.690 39.308 39.000 -0.636 0.000 1.997 224 F HN 0.375 nan 8.300 nan 0.000 0.598 225 N N 2.348 121.058 118.700 0.017 0.000 1.794 225 N HA -0.202 4.537 4.740 -0.001 0.000 0.324 225 N C 1.632 177.208 175.510 0.109 0.000 1.301 225 N CA 0.764 53.853 53.050 0.065 0.000 0.798 225 N CB 0.512 39.055 38.487 0.093 0.000 1.038 225 N HN 0.714 nan 8.380 nan 0.000 0.506 226 E N 2.421 122.742 120.200 0.201 0.000 2.136 226 E HA -0.324 4.025 4.350 -0.001 0.000 0.208 226 E C 0.952 177.690 176.600 0.229 0.000 1.035 226 E CA 2.347 58.959 56.400 0.354 0.000 0.838 226 E CB 0.145 29.947 29.700 0.171 0.000 0.748 226 E HN 0.577 nan 8.360 nan 0.000 0.459 227 V N -0.934 119.028 119.914 0.079 0.000 2.672 227 V HA -0.022 4.097 4.120 -0.001 0.000 0.242 227 V C 2.067 178.379 176.094 0.364 0.000 1.059 227 V CA 0.972 63.340 62.300 0.113 0.000 1.081 227 V CB -0.586 31.145 31.823 -0.154 0.000 0.752 227 V HN 0.238 nan 8.190 nan 0.000 0.472 228 F N 1.682 121.768 119.950 0.227 0.000 2.416 228 F HA 0.089 4.615 4.527 -0.001 0.000 0.296 228 F C 0.976 176.945 175.800 0.281 0.000 1.099 228 F CA 0.677 58.790 58.000 0.189 0.000 1.427 228 F CB 0.352 39.406 39.000 0.090 0.000 1.079 228 F HN 0.334 nan 8.300 nan 0.000 0.536 229 S N 0.192 116.185 115.700 0.489 0.000 2.614 229 S HA 0.457 4.927 4.470 -0.001 0.000 0.259 229 S C -0.968 173.767 174.600 0.224 0.000 1.118 229 S CA -0.991 57.471 58.200 0.437 0.000 1.065 229 S CB 1.201 64.550 63.200 0.250 0.000 1.121 229 S HN 0.077 nan 8.310 nan 0.000 0.458 230 R N 2.579 123.013 120.500 -0.111 0.000 2.514 230 R HA 0.430 4.769 4.340 -0.001 0.000 0.301 230 R C -2.343 173.505 176.300 -0.753 0.000 0.962 230 R CA -2.372 53.312 56.100 -0.693 0.000 0.882 230 R CB 1.102 30.777 30.300 -1.041 0.000 1.143 230 R HN 0.270 nan 8.270 nan 0.000 0.452 231 P HA -0.226 nan 4.420 nan 0.000 0.218 231 P C 0.446 177.316 177.300 -0.717 0.000 1.146 231 P CA 1.300 63.691 63.100 -1.183 0.000 0.813 231 P CB 0.171 31.013 31.700 -1.429 0.000 0.778 232 E N -2.455 117.437 120.200 -0.515 0.000 2.526 232 E HA -0.118 4.231 4.350 -0.001 0.000 0.198 232 E C 0.896 177.438 176.600 -0.096 0.000 1.091 232 E CA 0.320 56.576 56.400 -0.239 0.000 0.880 232 E CB -0.689 28.870 29.700 -0.235 0.000 0.873 232 E HN 0.316 nan 8.360 nan 0.000 0.527 233 W N -0.030 121.203 121.300 -0.111 0.000 2.871 233 W HA 0.357 5.016 4.660 -0.001 0.000 0.267 233 W C 1.531 177.962 176.519 -0.146 0.000 1.180 233 W CA -0.474 56.828 57.345 -0.070 0.000 1.463 233 W CB -0.402 29.034 29.460 -0.039 0.000 0.966 233 W HN 0.113 nan 8.180 nan 0.000 0.605 234 M N 0.768 120.291 119.600 -0.128 0.000 2.521 234 M HA -0.142 4.337 4.480 -0.001 0.000 0.260 234 M C 0.218 176.528 176.300 0.016 0.000 1.068 234 M CA 1.348 56.414 55.300 -0.390 0.000 1.060 234 M CB -0.888 31.380 32.600 -0.553 0.000 1.398 234 M HN -0.230 nan 8.290 nan 0.000 0.473 235 I N -1.696 118.958 120.570 0.139 0.000 2.648 235 I HA 0.440 4.609 4.170 -0.001 0.000 0.304 235 I C -0.690 175.553 176.117 0.210 0.000 1.009 235 I CA -1.004 60.433 61.300 0.228 0.000 1.114 235 I CB 1.041 39.165 38.000 0.206 0.000 1.293 235 I HN -0.127 nan 8.210 nan 0.000 0.449 236 L N 4.237 125.575 121.223 0.192 0.000 2.280 236 L HA 0.510 4.849 4.340 -0.001 0.000 0.287 236 L C 0.519 177.456 176.870 0.112 0.000 1.023 236 L CA -0.298 54.647 54.840 0.175 0.000 0.819 236 L CB 1.304 43.484 42.059 0.202 0.000 1.212 236 L HN 0.877 nan 8.230 nan 0.000 0.420 237 T N -0.077 114.544 114.554 0.112 0.000 3.311 237 T HA -0.040 4.309 4.350 -0.001 0.000 0.202 237 T C 0.611 175.350 174.700 0.066 0.000 0.880 237 T CA -0.045 62.102 62.100 0.079 0.000 2.029 237 T CB 0.084 69.004 68.868 0.087 0.000 1.693 237 T HN 0.575 nan 8.240 nan 0.000 0.438 238 C N 2.633 121.968 119.300 0.059 0.000 2.601 238 C HA 0.687 5.146 4.460 -0.001 0.000 0.409 238 C C -0.166 174.842 174.990 0.030 0.000 1.293 238 C CA -0.912 58.137 59.018 0.052 0.000 2.101 238 C CB -1.175 26.593 27.740 0.046 0.000 2.639 238 C HN 0.556 nan 8.230 nan 0.000 0.592 239 L N 8.787 130.029 121.223 0.033 0.000 2.356 239 L HA 0.671 5.010 4.340 -0.001 0.000 0.277 239 L C -2.339 174.537 176.870 0.011 0.000 0.996 239 L CA -1.930 52.920 54.840 0.017 0.000 0.822 239 L CB 1.708 43.777 42.059 0.017 0.000 1.256 239 L HN 0.528 nan 8.230 nan 0.000 0.413 240 P HA 0.058 nan 4.420 nan 0.000 0.268 240 P C -1.024 176.415 177.300 0.231 0.000 1.204 240 P CA 0.040 63.152 63.100 0.020 0.000 0.768 240 P CB 0.925 32.476 31.700 -0.249 0.000 0.842 241 V N 5.691 125.796 119.914 0.317 0.000 2.313 241 V HA 0.268 4.387 4.120 -0.001 0.000 0.278 241 V C -1.909 174.255 176.094 0.116 0.000 1.017 241 V CA -2.131 60.291 62.300 0.204 0.000 0.823 241 V CB 1.277 33.148 31.823 0.081 0.000 1.010 241 V HN 0.530 nan 8.190 nan 0.000 0.443 242 P HA 0.282 nan 4.420 nan 0.000 0.276 242 P C -2.636 174.453 177.300 -0.350 0.000 1.230 242 P CA -1.517 61.305 63.100 -0.463 0.000 0.776 242 P CB 0.746 32.377 31.700 -0.116 0.000 0.888 243 P HA 0.191 nan 4.420 nan 0.000 0.274 243 P C -2.039 175.146 177.300 -0.191 0.000 1.246 243 P CA -1.798 61.133 63.100 -0.281 0.000 0.795 243 P CB -0.495 31.012 31.700 -0.321 0.000 1.006 244 P HA -0.189 nan 4.420 nan 0.000 0.218 244 P C -1.034 176.203 177.300 -0.105 0.000 1.165 244 P CA 2.968 66.005 63.100 -0.106 0.000 0.922 244 P CB -2.114 29.533 31.700 -0.089 0.000 0.794 245 P HA -0.108 nan 4.420 nan 0.000 0.223 245 P C 0.898 178.146 177.300 -0.085 0.000 1.140 245 P CA 1.328 64.370 63.100 -0.096 0.000 0.783 245 P CB -0.483 31.153 31.700 -0.106 0.000 0.759 246 V N -0.586 119.269 119.914 -0.098 0.000 3.621 246 V HA 0.101 4.220 4.120 -0.001 0.000 0.285 246 V C 1.150 177.208 176.094 -0.060 0.000 1.346 246 V CA 0.294 62.550 62.300 -0.075 0.000 1.104 246 V CB -0.881 30.888 31.823 -0.091 0.000 0.913 246 V HN 0.281 nan 8.190 nan 0.000 0.432 247 R N -1.400 119.059 120.500 -0.068 0.000 2.747 247 R HA 0.298 4.637 4.340 -0.001 0.000 0.200 247 R C -3.284 172.968 176.300 -0.079 0.000 1.438 247 R CA -0.890 55.171 56.100 -0.066 0.000 1.334 247 R CB -0.500 29.766 30.300 -0.056 0.000 1.523 247 R HN 0.147 nan 8.270 nan 0.000 0.741 248 P HA 0.199 nan 4.420 nan 0.000 0.335 248 P C 0.134 177.384 177.300 -0.083 0.000 1.379 248 P CA 0.100 63.156 63.100 -0.073 0.000 0.794 248 P CB 0.501 32.166 31.700 -0.059 0.000 1.849 249 S N -2.277 113.378 115.700 -0.074 0.000 4.226 249 S HA 0.484 4.953 4.470 -0.001 0.000 0.268 249 S C -0.314 174.243 174.600 -0.072 0.000 1.036 249 S CA -0.332 57.818 58.200 -0.085 0.000 1.278 249 S CB -0.675 62.468 63.200 -0.095 0.000 1.727 249 S HN 0.513 nan 8.310 nan 0.000 0.608 250 I N 0.049 120.567 120.570 -0.087 0.000 8.646 250 I HA -0.081 4.088 4.170 -0.001 0.000 0.126 250 I C -0.019 176.027 176.117 -0.118 0.000 1.752 250 I CA 0.214 61.456 61.300 -0.096 0.000 2.180 250 I CB -1.645 36.317 38.000 -0.064 0.000 3.678 250 I HN 1.266 nan 8.210 nan 0.000 0.211 251 S N 2.298 117.887 115.700 -0.186 0.000 3.952 251 S HA 0.858 5.327 4.470 -0.001 0.000 0.293 251 S C 0.130 174.597 174.600 -0.222 0.000 1.090 251 S CA -0.013 57.962 58.200 -0.376 0.000 1.264 251 S CB 1.046 63.731 63.200 -0.860 0.000 1.393 251 S HN 1.199 nan 8.310 nan 0.000 0.757 252 F N 0.946 120.894 119.950 -0.003 0.000 2.699 252 F HA 0.416 4.941 4.527 -0.002 0.000 0.295 252 F C 1.586 177.385 175.800 -0.002 0.000 1.052 252 F CA -0.061 57.938 58.000 -0.002 0.000 1.239 252 F CB -0.685 38.316 39.000 0.001 0.000 1.018 252 F HN 0.615 nan 8.300 nan 0.000 0.627 253 N N 0.756 119.437 118.700 -0.032 0.000 2.358 253 N HA 0.197 4.936 4.740 -0.001 0.000 0.209 253 N C -0.053 175.431 175.510 -0.044 0.000 1.033 253 N CA 0.725 53.782 53.050 0.011 0.000 1.021 253 N CB -0.027 38.480 38.487 0.035 0.000 1.244 253 N HN 0.056 nan 8.380 nan 0.000 0.523 254 E N -1.605 118.541 120.200 -0.090 0.000 2.583 254 E HA -0.028 4.321 4.350 -0.001 0.000 0.380 254 E C -1.165 175.399 176.600 -0.060 0.000 0.942 254 E CA 0.217 56.571 56.400 -0.077 0.000 1.202 254 E CB -1.315 28.356 29.700 -0.047 0.000 1.273 254 E HN 0.319 nan 8.360 nan 0.000 0.427 255 S N -0.416 115.240 115.700 -0.072 0.000 2.752 255 S HA 0.285 4.754 4.470 -0.001 0.000 0.242 255 S C 0.011 174.578 174.600 -0.055 0.000 0.914 255 S CA 0.352 58.522 58.200 -0.050 0.000 1.427 255 S CB 0.242 63.425 63.200 -0.029 0.000 1.244 255 S HN 0.249 nan 8.310 nan 0.000 0.655 256 Q N 0.209 119.955 119.800 -0.089 0.000 3.177 256 Q HA 0.589 4.928 4.340 -0.001 0.000 0.339 256 Q C 0.738 176.670 176.000 -0.113 0.000 0.912 256 Q CA -0.561 55.192 55.803 -0.084 0.000 0.818 256 Q CB 0.728 29.424 28.738 -0.069 0.000 1.448 256 Q HN 0.126 nan 8.270 nan 0.000 0.489 257 R N -0.626 119.815 120.500 -0.097 0.000 2.046 257 R HA 0.344 4.683 4.340 -0.001 0.000 0.223 257 R C -0.035 176.177 176.300 -0.147 0.000 1.179 257 R CA 0.805 56.850 56.100 -0.092 0.000 0.952 257 R CB -0.299 29.980 30.300 -0.036 0.000 0.843 257 R HN 0.771 nan 8.270 nan 0.000 0.439 258 G N 2.108 110.812 108.800 -0.161 0.000 2.546 258 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.285 258 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.285 258 G C -0.609 174.230 174.900 -0.101 0.000 1.105 258 G CA -0.316 44.683 45.100 -0.168 0.000 1.189 258 G HN 0.108 nan 8.290 nan 0.000 0.534 259 E N 0.195 120.336 120.200 -0.098 0.000 2.283 259 E HA 0.324 4.673 4.350 -0.001 0.000 0.267 259 E C 0.402 176.803 176.600 -0.332 0.000 1.045 259 E CA -0.656 55.578 56.400 -0.277 0.000 0.884 259 E CB 1.165 30.567 29.700 -0.498 0.000 1.106 259 E HN 0.475 nan 8.360 nan 0.000 0.408 260 D N 0.595 120.771 120.400 -0.373 0.000 2.358 260 D HA -0.038 4.601 4.640 -0.001 0.000 0.244 260 D C 0.245 176.345 176.300 -0.334 0.000 1.163 260 D CA -0.228 53.618 54.000 -0.256 0.000 0.945 260 D CB 1.070 41.769 40.800 -0.169 0.000 1.152 260 D HN 0.217 nan 8.370 nan 0.000 0.451 261 D N 1.186 121.533 120.400 -0.089 0.000 2.347 261 D HA -0.056 4.583 4.640 -0.001 0.000 0.215 261 D C 1.502 177.847 176.300 0.076 0.000 0.976 261 D CA 0.261 54.304 54.000 0.072 0.000 0.884 261 D CB 0.227 41.082 40.800 0.091 0.000 0.915 261 D HN 0.253 nan 8.370 nan 0.000 0.526 262 L N -0.694 120.529 121.223 0.000 0.000 2.357 262 L HA 0.101 4.440 4.340 -0.001 0.000 0.211 262 L C 2.015 178.934 176.870 0.081 0.000 1.075 262 L CA 0.902 55.781 54.840 0.064 0.000 0.830 262 L CB -0.172 41.905 42.059 0.029 0.000 0.996 262 L HN -0.162 nan 8.230 nan 0.000 0.467 263 T N -0.563 113.961 114.554 -0.050 0.000 2.915 263 T HA -0.129 4.220 4.350 -0.001 0.000 0.269 263 T C 1.649 176.348 174.700 -0.002 0.000 1.071 263 T CA 1.558 63.614 62.100 -0.073 0.000 1.132 263 T CB -0.478 68.276 68.868 -0.189 0.000 0.878 263 T HN 0.260 nan 8.240 nan 0.000 0.479 264 F N 0.905 120.876 119.950 0.036 0.000 2.293 264 F HA -0.014 4.512 4.527 -0.002 0.000 0.300 264 F C 2.483 178.289 175.800 0.010 0.000 1.086 264 F CA 0.408 58.420 58.000 0.020 0.000 1.375 264 F CB 0.006 39.015 39.000 0.015 0.000 1.045 264 F HN 0.034 nan 8.300 nan 0.000 0.516 265 K N 0.871 121.405 120.400 0.223 0.000 2.067 265 K HA 0.069 4.388 4.320 -0.001 0.000 0.203 265 K C 1.312 177.958 176.600 0.077 0.000 1.048 265 K CA 0.598 56.976 56.287 0.152 0.000 0.954 265 K CB -0.326 32.356 32.500 0.303 0.000 0.737 265 K HN 0.111 nan 8.250 nan 0.000 0.444 266 L N 0.445 121.714 121.223 0.076 0.000 2.962 266 L HA -0.043 4.296 4.340 -0.001 0.000 0.263 266 L C 0.977 177.861 176.870 0.023 0.000 1.152 266 L CA 0.360 55.191 54.840 -0.015 0.000 0.954 266 L CB -0.362 41.707 42.059 0.016 0.000 1.213 266 L HN 0.269 nan 8.230 nan 0.000 0.422 267 A N -1.925 120.929 122.820 0.057 0.000 1.895 267 A HA 0.043 4.362 4.320 -0.001 0.000 0.198 267 A C 1.713 179.338 177.584 0.068 0.000 1.709 267 A CA -0.165 51.917 52.037 0.074 0.000 1.194 267 A CB 0.126 19.203 19.000 0.129 0.000 1.260 267 A HN 0.198 nan 8.150 nan 0.000 0.441 268 D N 0.881 121.311 120.400 0.050 0.000 2.117 268 D HA -0.116 4.523 4.640 -0.001 0.000 0.198 268 D C 1.917 178.339 176.300 0.203 0.000 0.982 268 D CA 1.910 55.928 54.000 0.030 0.000 0.828 268 D CB -0.174 40.469 40.800 -0.262 0.000 0.967 268 D HN 0.607 nan 8.370 nan 0.000 0.464 269 I N -0.913 119.767 120.570 0.184 0.000 2.315 269 I HA -0.109 4.061 4.170 -0.001 0.000 0.248 269 I C 2.233 178.391 176.117 0.067 0.000 1.117 269 I CA 1.062 62.478 61.300 0.192 0.000 1.404 269 I CB -0.694 37.334 38.000 0.047 0.000 1.071 269 I HN -0.087 nan 8.210 nan 0.000 0.419 270 L N 0.425 121.667 121.223 0.031 0.000 2.109 270 L HA -0.127 4.212 4.340 -0.001 0.000 0.207 270 L C 2.679 179.554 176.870 0.009 0.000 1.086 270 L CA 1.447 56.288 54.840 0.001 0.000 0.760 270 L CB -0.467 41.589 42.059 -0.006 0.000 0.910 270 L HN 0.331 nan 8.230 nan 0.000 0.437 271 K N 0.110 120.533 120.400 0.039 0.000 2.057 271 K HA -0.160 4.159 4.320 -0.001 0.000 0.207 271 K C 1.545 178.160 176.600 0.025 0.000 1.049 271 K CA 1.477 57.786 56.287 0.037 0.000 0.931 271 K CB -0.101 32.435 32.500 0.060 0.000 0.714 271 K HN 0.404 nan 8.250 nan 0.000 0.440 272 A N 0.560 123.404 122.820 0.041 0.000 2.302 272 A HA 0.011 4.330 4.320 -0.001 0.000 0.219 272 A C 1.270 178.835 177.584 -0.032 0.000 1.243 272 A CA 0.380 52.412 52.037 -0.009 0.000 0.856 272 A CB -0.393 18.576 19.000 -0.053 0.000 0.893 272 A HN 0.508 nan 8.150 nan 0.000 0.491 273 N N 0.147 118.835 118.700 -0.019 0.000 2.414 273 N HA 0.081 4.820 4.740 -0.001 0.000 0.189 273 N C 1.066 176.555 175.510 -0.034 0.000 1.039 273 N CA 0.601 53.633 53.050 -0.031 0.000 0.889 273 N CB -0.094 38.375 38.487 -0.031 0.000 1.085 273 N HN 0.312 nan 8.380 nan 0.000 0.442 274 I N 0.561 121.106 120.570 -0.041 0.000 3.555 274 I HA 0.015 4.184 4.170 -0.001 0.000 0.304 274 I C 1.205 177.302 176.117 -0.034 0.000 1.246 274 I CA 0.371 61.640 61.300 -0.051 0.000 1.220 274 I CB -0.423 37.523 38.000 -0.091 0.000 1.001 274 I HN 0.240 nan 8.210 nan 0.000 0.513 275 S N 0.168 115.852 115.700 -0.026 0.000 2.540 275 S HA 0.181 4.650 4.470 -0.001 0.000 0.222 275 S C 1.482 176.066 174.600 -0.027 0.000 1.008 275 S CA -0.072 58.115 58.200 -0.022 0.000 0.939 275 S CB 0.374 63.562 63.200 -0.019 0.000 0.865 275 S HN 0.304 nan 8.310 nan 0.000 0.499 276 L N 1.700 122.904 121.223 -0.031 0.000 2.221 276 L HA 0.392 4.732 4.340 -0.001 0.000 0.202 276 L C 2.223 179.075 176.870 -0.029 0.000 1.074 276 L CA 1.295 56.112 54.840 -0.037 0.000 0.795 276 L CB -0.468 41.564 42.059 -0.044 0.000 0.960 276 L HN 0.243 nan 8.230 nan 0.000 0.458 277 E N -0.828 119.366 120.200 -0.010 0.000 2.219 277 E HA -0.201 4.148 4.350 -0.001 0.000 0.198 277 E C 1.401 178.041 176.600 0.067 0.000 0.998 277 E CA 1.672 58.094 56.400 0.036 0.000 0.818 277 E CB -0.131 29.589 29.700 0.033 0.000 0.741 277 E HN 0.477 nan 8.360 nan 0.000 0.477 278 T N 0.382 114.949 114.554 0.022 0.000 3.065 278 T HA 0.119 4.468 4.350 -0.001 0.000 0.252 278 T C 1.705 176.410 174.700 0.008 0.000 1.099 278 T CA 0.201 62.315 62.100 0.022 0.000 1.063 278 T CB 0.263 69.133 68.868 0.004 0.000 0.948 278 T HN 0.075 nan 8.240 nan 0.000 0.506 279 L N -0.021 121.193 121.223 -0.014 0.000 2.408 279 L HA 0.235 4.574 4.340 -0.001 0.000 0.215 279 L C 2.457 179.288 176.870 -0.065 0.000 1.081 279 L CA 0.654 55.474 54.840 -0.033 0.000 0.840 279 L CB 0.016 42.053 42.059 -0.037 0.000 1.002 279 L HN 0.217 nan 8.230 nan 0.000 0.468 280 E N -0.064 120.077 120.200 -0.098 0.000 2.005 280 E HA -0.156 4.193 4.350 -0.001 0.000 0.191 280 E C 0.595 177.065 176.600 -0.218 0.000 0.987 280 E CA 0.862 57.143 56.400 -0.199 0.000 0.814 280 E CB -0.015 29.509 29.700 -0.293 0.000 0.772 280 E HN 0.479 nan 8.360 nan 0.000 0.453 281 H N 0.630 119.677 119.070 -0.039 0.000 4.288 281 H HA 0.172 4.728 4.556 -0.002 0.000 0.184 281 H C -0.473 174.836 175.328 -0.031 0.000 1.451 281 H CA 0.158 56.186 56.048 -0.034 0.000 1.364 281 H CB -0.736 29.008 29.762 -0.030 0.000 1.615 281 H HN 0.073 nan 8.280 nan 0.000 0.800 282 N N -0.584 118.127 118.700 0.019 0.000 3.452 282 N HA 0.064 4.803 4.740 -0.001 0.000 0.231 282 N C -0.348 175.146 175.510 -0.028 0.000 1.264 282 N CA -0.552 52.501 53.050 0.005 0.000 0.928 282 N CB 0.838 39.330 38.487 0.009 0.000 1.547 282 N HN 0.412 nan 8.380 nan 0.000 0.509 283 G N 1.190 109.977 108.800 -0.022 0.000 2.326 283 G HA2 0.295 4.254 3.960 -0.001 0.000 0.286 283 G HA3 0.295 4.254 3.960 -0.001 0.000 0.286 283 G C 0.313 175.185 174.900 -0.047 0.000 0.927 283 G CA 0.415 45.495 45.100 -0.034 0.000 1.553 283 G HN 0.613 nan 8.290 nan 0.000 0.415 284 A N 4.986 127.754 122.820 -0.085 0.000 2.350 284 A HA 0.555 4.874 4.320 -0.001 0.000 0.293 284 A C -1.272 176.250 177.584 -0.103 0.000 1.231 284 A CA -1.335 50.641 52.037 -0.102 0.000 0.883 284 A CB 0.593 19.505 19.000 -0.146 0.000 1.133 284 A HN 0.466 nan 8.150 nan 0.000 0.533 285 P HA 0.042 nan 4.420 nan 0.000 0.262 285 P C 0.756 178.110 177.300 0.090 0.000 1.647 285 P CA 0.341 63.463 63.100 0.037 0.000 0.865 285 P CB -0.522 31.199 31.700 0.035 0.000 1.834 286 H N -0.252 118.771 119.070 -0.079 0.000 1.452 286 H HA -0.250 4.305 4.556 -0.002 0.000 0.090 286 H C 0.365 175.569 175.328 -0.206 0.000 0.610 286 H CA 1.706 57.659 56.048 -0.158 0.000 1.901 286 H CB -1.392 28.299 29.762 -0.117 0.000 2.257 286 H HN 0.381 nan 8.280 nan 0.000 0.961 287 H N 1.114 120.273 119.070 0.149 0.000 2.579 287 H HA 0.516 5.072 4.556 -0.002 0.000 0.289 287 H C 0.790 176.141 175.328 0.039 0.000 1.270 287 H CA 0.820 56.909 56.048 0.068 0.000 1.060 287 H CB 0.119 29.917 29.762 0.060 0.000 1.554 287 H HN 0.483 nan 8.280 nan 0.000 0.515 288 A N -0.112 122.777 122.820 0.115 0.000 2.287 288 A HA 0.168 4.488 4.320 -0.001 0.000 0.214 288 A C 2.029 179.634 177.584 0.034 0.000 1.228 288 A CA -0.194 51.882 52.037 0.065 0.000 0.939 288 A CB 0.152 19.180 19.000 0.047 0.000 0.992 288 A HN 0.325 nan 8.150 nan 0.000 0.502 289 I N 0.118 120.702 120.570 0.024 0.000 2.567 289 I HA -0.193 3.976 4.170 -0.001 0.000 0.257 289 I C 1.996 178.121 176.117 0.012 0.000 1.184 289 I CA 1.243 62.541 61.300 -0.003 0.000 1.451 289 I CB 0.019 37.999 38.000 -0.034 0.000 1.089 289 I HN 0.277 nan 8.210 nan 0.000 0.441 290 E N 0.643 120.877 120.200 0.058 0.000 2.285 290 E HA -0.155 4.194 4.350 -0.001 0.000 0.194 290 E C 1.845 178.451 176.600 0.010 0.000 0.997 290 E CA 0.568 57.000 56.400 0.053 0.000 0.845 290 E CB 0.005 29.768 29.700 0.104 0.000 0.782 290 E HN 0.416 nan 8.360 nan 0.000 0.491 291 E N -0.072 120.130 120.200 0.003 0.000 2.077 291 E HA -0.154 4.195 4.350 -0.001 0.000 0.193 291 E C 1.701 178.264 176.600 -0.062 0.000 0.989 291 E CA 1.251 57.635 56.400 -0.027 0.000 0.800 291 E CB -0.074 29.614 29.700 -0.020 0.000 0.746 291 E HN 0.260 nan 8.360 nan 0.000 0.452 292 A N 0.583 123.371 122.820 -0.054 0.000 2.178 292 A HA -0.042 4.277 4.320 -0.001 0.000 0.211 292 A C 1.730 179.263 177.584 -0.084 0.000 1.157 292 A CA 0.341 52.330 52.037 -0.080 0.000 0.780 292 A CB 0.072 19.035 19.000 -0.061 0.000 0.828 292 A HN 0.013 nan 8.150 nan 0.000 0.476 293 E N 0.655 120.822 120.200 -0.055 0.000 2.046 293 E HA -0.130 4.219 4.350 -0.001 0.000 0.190 293 E C 2.470 179.038 176.600 -0.054 0.000 0.982 293 E CA 1.628 58.002 56.400 -0.044 0.000 0.800 293 E CB -0.448 29.245 29.700 -0.012 0.000 0.756 293 E HN 0.716 nan 8.360 nan 0.000 0.449 294 S N 0.951 116.618 115.700 -0.055 0.000 2.406 294 S HA -0.104 4.365 4.470 -0.001 0.000 0.228 294 S C 2.069 176.561 174.600 -0.179 0.000 1.020 294 S CA 0.610 58.776 58.200 -0.057 0.000 0.965 294 S CB -0.386 62.794 63.200 -0.034 0.000 0.798 294 S HN 0.140 nan 8.310 nan 0.000 0.488 295 L N 0.657 121.728 121.223 -0.254 0.000 2.456 295 L HA 0.308 4.647 4.340 -0.001 0.000 0.224 295 L C 2.014 178.608 176.870 -0.460 0.000 1.148 295 L CA 0.994 55.565 54.840 -0.447 0.000 0.825 295 L CB -0.280 41.568 42.059 -0.352 0.000 0.937 295 L HN 0.491 nan 8.230 nan 0.000 0.450 296 L N -1.927 119.148 121.223 -0.246 0.000 2.357 296 L HA -0.007 4.332 4.340 -0.001 0.000 0.211 296 L C 2.268 179.093 176.870 -0.074 0.000 1.075 296 L CA 0.563 55.302 54.840 -0.168 0.000 0.830 296 L CB -0.042 41.962 42.059 -0.092 0.000 0.996 296 L HN 0.345 nan 8.230 nan 0.000 0.467 297 Q N 1.388 121.167 119.800 -0.034 0.000 1.857 297 Q HA -0.288 4.051 4.340 -0.001 0.000 0.237 297 Q C 0.798 176.904 176.000 0.176 0.000 1.004 297 Q CA 2.108 57.959 55.803 0.080 0.000 0.881 297 Q CB -0.688 28.121 28.738 0.120 0.000 0.946 297 Q HN 0.453 nan 8.270 nan 0.000 0.421 298 F N 1.283 121.257 119.950 0.039 0.000 2.494 298 F HA 0.170 4.696 4.527 -0.002 0.000 0.351 298 F C 0.091 175.823 175.800 -0.114 0.000 1.205 298 F CA -0.593 57.434 58.000 0.044 0.000 1.125 298 F CB 0.371 39.411 39.000 0.067 0.000 1.268 298 F HN 0.359 nan 8.300 nan 0.000 0.593 299 H N 3.309 122.530 119.070 0.252 0.000 2.312 299 H HA -0.052 4.503 4.556 -0.001 0.000 0.327 299 H C 1.907 177.431 175.328 0.327 0.000 1.111 299 H CA 0.814 57.169 56.048 0.512 0.000 1.578 299 H CB -0.602 29.333 29.762 0.288 0.000 1.494 299 H HN 0.402 nan 8.280 nan 0.000 0.583 300 V N 0.898 121.010 119.914 0.331 0.000 2.497 300 V HA -0.451 3.669 4.120 -0.001 0.000 0.222 300 V C 2.355 178.598 176.094 0.248 0.000 1.156 300 V CA 2.087 64.510 62.300 0.206 0.000 1.056 300 V CB -1.331 30.555 31.823 0.106 0.000 1.087 300 V HN 0.741 nan 8.190 nan 0.000 0.470 301 A N -2.085 120.874 122.820 0.231 0.000 1.854 301 A HA -0.205 4.114 4.320 -0.001 0.000 0.214 301 A C 2.253 179.915 177.584 0.131 0.000 1.192 301 A CA 2.538 54.667 52.037 0.154 0.000 0.611 301 A CB -0.881 18.219 19.000 0.166 0.000 0.832 301 A HN 0.534 nan 8.150 nan 0.000 0.442 302 T N -1.777 112.868 114.554 0.151 0.000 2.929 302 T HA -0.170 4.179 4.350 -0.001 0.000 0.271 302 T C 1.583 176.356 174.700 0.122 0.000 1.085 302 T CA 1.623 63.748 62.100 0.043 0.000 1.125 302 T CB -0.427 68.373 68.868 -0.114 0.000 0.874 302 T HN 0.617 nan 8.240 nan 0.000 0.494 303 Y N -0.153 120.196 120.300 0.081 0.000 2.457 303 Y HA 0.241 4.790 4.550 -0.002 0.000 0.292 303 Y C 1.911 177.839 175.900 0.046 0.000 1.125 303 Y CA 0.954 59.094 58.100 0.067 0.000 1.254 303 Y CB -0.078 38.438 38.460 0.094 0.000 1.012 303 Y HN 0.189 nan 8.280 nan 0.000 0.555 304 M N -0.739 118.872 119.600 0.019 0.000 2.567 304 M HA 0.114 4.594 4.480 -0.001 0.000 0.261 304 M C -0.651 175.625 176.300 -0.040 0.000 1.180 304 M CA 0.509 55.752 55.300 -0.094 0.000 1.143 304 M CB 0.697 33.301 32.600 0.006 0.000 1.319 304 M HN 0.093 nan 8.290 nan 0.000 0.490 305 D N 0.638 121.030 120.400 -0.013 0.000 2.452 305 D HA 0.168 4.807 4.640 -0.001 0.000 0.226 305 D C -1.840 174.437 176.300 -0.038 0.000 1.366 305 D CA -0.181 53.811 54.000 -0.013 0.000 0.986 305 D CB 0.954 41.772 40.800 0.029 0.000 1.420 305 D HN -0.111 nan 8.370 nan 0.000 0.583 306 N N 2.834 121.502 118.700 -0.054 0.000 2.405 306 N HA 0.558 5.297 4.740 -0.001 0.000 0.299 306 N C -1.339 174.130 175.510 -0.069 0.000 1.075 306 N CA 0.113 53.118 53.050 -0.075 0.000 0.884 306 N CB 1.160 39.609 38.487 -0.065 0.000 1.194 306 N HN 0.530 nan 8.380 nan 0.000 0.491 307 D N 2.083 122.436 120.400 -0.080 0.000 3.862 307 D HA -0.087 4.552 4.640 -0.001 0.000 0.224 307 D C -0.824 175.442 176.300 -0.057 0.000 1.152 307 D CA 0.373 54.335 54.000 -0.064 0.000 0.894 307 D CB -1.114 39.654 40.800 -0.054 0.000 0.624 307 D HN 0.518 nan 8.370 nan 0.000 0.287 308 I N 0.637 121.170 120.570 -0.061 0.000 3.415 308 I HA 0.725 4.895 4.170 -0.001 0.000 0.269 308 I C 1.698 177.794 176.117 -0.036 0.000 0.564 308 I CA -0.141 61.131 61.300 -0.046 0.000 3.056 308 I CB -0.341 37.630 38.000 -0.050 0.000 1.513 308 I HN 0.276 nan 8.210 nan 0.000 0.535 309 A N -0.038 122.763 122.820 -0.032 0.000 2.664 309 A HA 0.534 4.853 4.320 -0.001 0.000 0.222 309 A C 1.305 178.882 177.584 -0.012 0.000 1.320 309 A CA 0.547 52.573 52.037 -0.019 0.000 1.029 309 A CB -0.443 18.550 19.000 -0.011 0.000 1.318 309 A HN 0.537 nan 8.150 nan 0.000 0.589 310 G N 0.158 108.947 108.800 -0.019 0.000 2.632 310 G HA2 0.317 4.276 3.960 -0.001 0.000 0.183 310 G HA3 0.317 4.276 3.960 -0.001 0.000 0.183 310 G C 0.320 175.217 174.900 -0.005 0.000 1.592 310 G CA 0.706 45.806 45.100 0.001 0.000 0.880 310 G HN 0.471 nan 8.290 nan 0.000 0.399 311 Q N -0.538 119.240 119.800 -0.036 0.000 2.456 311 Q HA 0.363 4.702 4.340 -0.001 0.000 0.284 311 Q C -2.001 173.952 176.000 -0.078 0.000 1.061 311 Q CA -1.579 54.213 55.803 -0.018 0.000 0.799 311 Q CB 2.940 31.712 28.738 0.058 0.000 1.445 311 Q HN 0.296 nan 8.270 nan 0.000 0.411 312 P HA 0.044 nan 4.420 nan 0.000 0.336 312 P C -0.621 176.646 177.300 -0.054 0.000 1.435 312 P CA 0.328 63.396 63.100 -0.053 0.000 0.860 312 P CB 0.517 32.204 31.700 -0.023 0.000 2.095 313 Q N -2.358 117.431 119.800 -0.018 0.000 3.177 313 Q HA 0.724 5.063 4.340 -0.001 0.000 0.339 313 Q C -1.363 174.654 176.000 0.029 0.000 0.912 313 Q CA -0.889 54.922 55.803 0.012 0.000 0.818 313 Q CB 1.235 29.972 28.738 -0.001 0.000 1.448 313 Q HN 0.580 nan 8.270 nan 0.000 0.489 314 A N -0.011 122.826 122.820 0.029 0.000 2.386 314 A HA 0.607 4.926 4.320 -0.001 0.000 0.308 314 A C -0.131 177.445 177.584 -0.014 0.000 1.128 314 A CA -0.581 51.465 52.037 0.015 0.000 0.789 314 A CB 0.451 19.465 19.000 0.023 0.000 1.325 314 A HN 0.726 nan 8.150 nan 0.000 0.437 315 L N -0.270 120.934 121.223 -0.032 0.000 1.877 315 L HA -0.115 4.224 4.340 -0.001 0.000 0.239 315 L C 0.729 177.516 176.870 -0.139 0.000 1.081 315 L CA 1.781 56.584 54.840 -0.062 0.000 0.878 315 L CB -0.248 41.774 42.059 -0.061 0.000 0.909 315 L HN 0.895 nan 8.230 nan 0.000 0.434 316 Q N -0.576 119.095 119.800 -0.214 0.000 2.447 316 Q HA -0.230 4.109 4.340 -0.001 0.000 0.316 316 Q C 0.283 175.897 176.000 -0.643 0.000 1.448 316 Q CA 0.834 56.366 55.803 -0.452 0.000 0.804 316 Q CB -0.842 27.564 28.738 -0.553 0.000 1.107 316 Q HN 0.416 nan 8.270 nan 0.000 0.373 317 K N -2.567 117.650 120.400 -0.305 0.000 3.564 317 K HA -0.256 4.063 4.320 -0.001 0.000 0.278 317 K C 0.187 176.782 176.600 -0.008 0.000 1.048 317 K CA 1.976 58.190 56.287 -0.121 0.000 1.109 317 K CB -1.719 30.757 32.500 -0.039 0.000 1.405 317 K HN 0.830 nan 8.250 nan 0.000 0.452 318 S N -1.269 114.419 115.700 -0.021 0.000 2.718 318 S HA 0.718 5.187 4.470 -0.001 0.000 0.292 318 S C 0.589 175.201 174.600 0.020 0.000 1.125 318 S CA -0.371 57.867 58.200 0.064 0.000 1.013 318 S CB 1.851 65.153 63.200 0.170 0.000 1.192 318 S HN 0.455 nan 8.310 nan 0.000 0.535 319 G N 1.277 110.096 108.800 0.032 0.000 2.325 319 G HA2 0.497 4.456 3.960 -0.001 0.000 0.298 319 G HA3 0.497 4.456 3.960 -0.001 0.000 0.298 319 G C 0.130 175.037 174.900 0.013 0.000 1.134 319 G CA -0.891 44.216 45.100 0.012 0.000 0.876 319 G HN 0.787 nan 8.290 nan 0.000 0.452 320 R N 3.188 123.689 120.500 0.003 0.000 2.539 320 R HA 0.357 4.696 4.340 -0.001 0.000 0.275 320 R C -2.245 174.053 176.300 -0.003 0.000 1.077 320 R CA -1.262 54.839 56.100 0.002 0.000 1.097 320 R CB -0.086 30.214 30.300 -0.000 0.000 1.018 320 R HN 0.341 nan 8.270 nan 0.000 0.483 321 P HA 0.184 nan 4.420 nan 0.000 0.293 321 P C -0.208 177.095 177.300 0.005 0.000 1.304 321 P CA -0.690 62.407 63.100 -0.005 0.000 0.767 321 P CB 0.311 31.999 31.700 -0.020 0.000 1.247 322 V N -2.050 117.871 119.914 0.011 0.000 2.904 322 V HA 0.266 4.385 4.120 -0.001 0.000 0.305 322 V C 1.671 177.766 176.094 0.002 0.000 1.067 322 V CA -0.632 61.684 62.300 0.027 0.000 1.044 322 V CB 0.463 32.318 31.823 0.053 0.000 1.050 322 V HN 0.717 nan 8.190 nan 0.000 0.475 323 K N 2.731 123.130 120.400 -0.000 0.000 1.983 323 K HA -0.066 4.254 4.320 -0.001 0.000 0.225 323 K C 0.789 177.357 176.600 -0.052 0.000 1.030 323 K CA 2.290 58.560 56.287 -0.028 0.000 1.027 323 K CB -1.171 31.311 32.500 -0.030 0.000 0.757 323 K HN 2.202 nan 8.250 nan 0.000 0.444 324 S N -0.590 115.059 115.700 -0.084 0.000 4.387 324 S HA 0.024 4.493 4.470 -0.001 0.000 0.111 324 S C 0.711 175.194 174.600 -0.195 0.000 0.996 324 S CA 0.504 58.619 58.200 -0.142 0.000 0.858 324 S CB -2.444 60.699 63.200 -0.094 0.000 0.533 324 S HN 0.605 nan 8.310 nan 0.000 0.806 325 I N -1.998 118.455 120.570 -0.195 0.000 4.154 325 I HA -0.459 3.710 4.170 -0.001 0.000 0.103 325 I C 2.283 178.328 176.117 -0.120 0.000 0.534 325 I CA 2.205 63.405 61.300 -0.167 0.000 1.134 325 I CB -1.664 36.202 38.000 -0.223 0.000 1.004 325 I HN 0.635 nan 8.210 nan 0.000 0.192 326 R N 1.549 121.979 120.500 -0.116 0.000 2.090 326 R HA 0.014 4.353 4.340 -0.001 0.000 0.228 326 R C 2.187 178.424 176.300 -0.105 0.000 1.110 326 R CA 1.843 57.877 56.100 -0.108 0.000 0.973 326 R CB -0.142 30.115 30.300 -0.071 0.000 0.869 326 R HN 0.602 nan 8.270 nan 0.000 0.440 327 A N 0.471 123.237 122.820 -0.090 0.000 2.119 327 A HA -0.001 4.318 4.320 -0.001 0.000 0.216 327 A C 2.013 179.552 177.584 -0.074 0.000 1.152 327 A CA 0.338 52.327 52.037 -0.079 0.000 0.708 327 A CB -0.224 18.736 19.000 -0.066 0.000 0.805 327 A HN 0.256 nan 8.150 nan 0.000 0.460 328 R N -0.532 119.922 120.500 -0.076 0.000 2.148 328 R HA 0.038 4.377 4.340 -0.001 0.000 0.227 328 R C 1.442 177.700 176.300 -0.069 0.000 1.103 328 R CA 1.082 57.143 56.100 -0.066 0.000 0.983 328 R CB -0.205 30.058 30.300 -0.062 0.000 0.874 328 R HN 0.490 nan 8.270 nan 0.000 0.451 329 L N -0.063 121.108 121.223 -0.088 0.000 2.316 329 L HA 0.084 4.423 4.340 -0.001 0.000 0.207 329 L C 0.752 177.562 176.870 -0.100 0.000 1.070 329 L CA 0.054 54.837 54.840 -0.094 0.000 0.820 329 L CB -0.224 41.761 42.059 -0.123 0.000 0.992 329 L HN -0.021 nan 8.230 nan 0.000 0.466 330 K N 2.273 122.608 120.400 -0.109 0.000 2.511 330 K HA -0.031 4.288 4.320 -0.001 0.000 0.277 330 K C 0.438 176.981 176.600 -0.095 0.000 1.025 330 K CA 0.261 56.483 56.287 -0.109 0.000 1.112 330 K CB 0.499 32.937 32.500 -0.104 0.000 0.859 330 K HN 0.140 nan 8.250 nan 0.000 0.485 331 G N 2.014 110.754 108.800 -0.101 0.000 2.653 331 G HA2 0.167 4.127 3.960 -0.001 0.000 0.265 331 G HA3 0.167 4.127 3.960 -0.001 0.000 0.265 331 G C -0.361 174.490 174.900 -0.081 0.000 1.237 331 G CA -0.278 44.770 45.100 -0.086 0.000 0.946 331 G HN 0.573 nan 8.290 nan 0.000 0.522 332 K N -0.047 120.313 120.400 -0.065 0.000 6.536 332 K HA -0.212 4.107 4.320 -0.001 0.000 0.703 332 K C 0.960 177.531 176.600 -0.050 0.000 1.892 332 K CA 1.454 57.707 56.287 -0.056 0.000 1.651 332 K CB -1.345 31.113 32.500 -0.070 0.000 1.852 332 K HN 1.333 nan 8.250 nan 0.000 0.324 333 E N -0.902 119.275 120.200 -0.038 0.000 3.426 333 E HA -0.272 4.077 4.350 -0.001 0.000 0.291 333 E C 0.650 177.227 176.600 -0.039 0.000 0.898 333 E CA 1.547 57.926 56.400 -0.034 0.000 0.970 333 E CB -1.917 27.764 29.700 -0.032 0.000 1.489 333 E HN 0.871 nan 8.360 nan 0.000 0.461 334 G N 0.810 109.583 108.800 -0.046 0.000 2.588 334 G HA2 0.246 4.205 3.960 -0.001 0.000 0.278 334 G HA3 0.246 4.205 3.960 -0.001 0.000 0.278 334 G C 0.593 175.469 174.900 -0.041 0.000 1.307 334 G CA 0.123 45.192 45.100 -0.051 0.000 1.016 334 G HN 0.165 nan 8.290 nan 0.000 0.503 335 R N -0.992 119.482 120.500 -0.043 0.000 2.115 335 R HA 0.060 4.400 4.340 -0.001 0.000 0.230 335 R C 2.191 178.475 176.300 -0.026 0.000 1.111 335 R CA 1.145 57.226 56.100 -0.031 0.000 0.976 335 R CB -0.268 30.014 30.300 -0.031 0.000 0.870 335 R HN 0.597 nan 8.270 nan 0.000 0.445 336 I N -0.551 120.000 120.570 -0.033 0.000 2.405 336 I HA -0.105 4.064 4.170 -0.001 0.000 0.236 336 I C 2.311 178.419 176.117 -0.015 0.000 1.071 336 I CA 0.480 61.766 61.300 -0.022 0.000 1.398 336 I CB -0.288 37.695 38.000 -0.029 0.000 1.162 336 I HN 0.107 nan 8.210 nan 0.000 0.432 337 R N 0.742 121.228 120.500 -0.023 0.000 2.127 337 R HA -0.142 4.197 4.340 -0.001 0.000 0.238 337 R C 1.917 178.209 176.300 -0.013 0.000 1.134 337 R CA 1.687 57.778 56.100 -0.015 0.000 0.975 337 R CB -0.543 29.739 30.300 -0.029 0.000 0.865 337 R HN 0.465 nan 8.270 nan 0.000 0.447 338 G N -1.201 107.587 108.800 -0.019 0.000 3.020 338 G HA2 -0.028 3.931 3.960 -0.001 0.000 0.217 338 G HA3 -0.028 3.931 3.960 -0.001 0.000 0.217 338 G C 0.880 175.773 174.900 -0.011 0.000 1.144 338 G CA -0.143 44.947 45.100 -0.016 0.000 0.760 338 G HN 0.232 nan 8.290 nan 0.000 0.548 339 N N -0.675 118.020 118.700 -0.010 0.000 2.082 339 N HA 0.245 4.984 4.740 -0.001 0.000 0.228 339 N C 0.850 176.358 175.510 -0.003 0.000 1.341 339 N CA 0.068 53.115 53.050 -0.006 0.000 0.873 339 N CB 1.153 39.634 38.487 -0.009 0.000 1.137 339 N HN 0.209 nan 8.380 nan 0.000 0.505 340 L N -0.463 120.759 121.223 -0.002 0.000 2.598 340 L HA 0.261 4.600 4.340 -0.001 0.000 0.205 340 L C 1.510 178.382 176.870 0.003 0.000 1.054 340 L CA 0.063 54.904 54.840 0.002 0.000 0.934 340 L CB -0.089 41.973 42.059 0.004 0.000 1.704 340 L HN -0.099 nan 8.230 nan 0.000 0.491 341 M N 0.241 119.844 119.600 0.005 0.000 2.446 341 M HA 0.177 4.656 4.480 -0.001 0.000 0.263 341 M C 0.777 177.079 176.300 0.003 0.000 1.066 341 M CA 0.609 55.914 55.300 0.008 0.000 1.087 341 M CB -1.136 31.474 32.600 0.018 0.000 1.406 341 M HN 0.236 nan 8.290 nan 0.000 0.459 342 G N 0.640 109.441 108.800 0.001 0.000 2.691 342 G HA2 0.553 4.512 3.960 -0.001 0.000 0.298 342 G HA3 0.553 4.512 3.960 -0.001 0.000 0.298 342 G C -1.259 173.643 174.900 0.003 0.000 1.471 342 G CA -0.932 44.168 45.100 -0.000 0.000 0.912 342 G HN 0.219 nan 8.290 nan 0.000 0.553 343 K N 0.735 121.139 120.400 0.007 0.000 2.536 343 K HA 0.638 4.957 4.320 -0.001 0.000 0.269 343 K C -0.644 175.972 176.600 0.026 0.000 0.965 343 K CA -1.221 55.073 56.287 0.012 0.000 0.860 343 K CB 2.457 34.962 32.500 0.010 0.000 1.423 343 K HN 0.460 nan 8.250 nan 0.000 0.438 344 R N 0.882 121.396 120.500 0.025 0.000 2.590 344 R HA 0.238 4.577 4.340 -0.001 0.000 0.274 344 R C -0.239 176.089 176.300 0.046 0.000 1.061 344 R CA -0.253 55.869 56.100 0.036 0.000 1.081 344 R CB 0.735 31.046 30.300 0.018 0.000 0.984 344 R HN 0.550 nan 8.270 nan 0.000 0.448 345 V N -0.321 119.637 119.914 0.075 0.000 2.876 345 V HA 0.441 4.560 4.120 -0.001 0.000 0.312 345 V C -0.530 175.608 176.094 0.075 0.000 1.085 345 V CA -1.269 61.092 62.300 0.101 0.000 0.945 345 V CB 2.085 34.017 31.823 0.181 0.000 1.017 345 V HN 0.592 nan 8.190 nan 0.000 0.428 346 D N 1.342 121.773 120.400 0.051 0.000 2.414 346 D HA 0.432 5.071 4.640 -0.001 0.000 0.251 346 D C 0.308 176.651 176.300 0.071 0.000 1.252 346 D CA -0.016 53.931 54.000 -0.089 0.000 0.999 346 D CB 0.063 40.686 40.800 -0.296 0.000 1.093 346 D HN 0.725 nan 8.370 nan 0.000 0.515 347 F N -0.892 119.093 119.950 0.058 0.000 2.943 347 F HA -0.260 4.267 4.527 -0.001 0.000 0.258 347 F C 0.244 176.080 175.800 0.060 0.000 0.995 347 F CA 0.251 58.295 58.000 0.073 0.000 0.896 347 F CB -1.849 37.206 39.000 0.092 0.000 0.821 347 F HN 0.154 nan 8.300 nan 0.000 0.828 348 S N -0.746 115.011 115.700 0.095 0.000 2.540 348 S HA 0.977 5.446 4.470 -0.001 0.000 0.275 348 S C -0.601 173.972 174.600 -0.044 0.000 1.123 348 S CA -0.287 57.866 58.200 -0.077 0.000 0.907 348 S CB 2.488 65.534 63.200 -0.256 0.000 1.081 348 S HN 1.155 nan 8.310 nan 0.000 0.476 349 A N 1.641 124.443 122.820 -0.029 0.000 2.556 349 A HA 0.947 5.266 4.320 -0.001 0.000 0.294 349 A C -0.713 176.976 177.584 0.174 0.000 1.091 349 A CA -0.967 51.130 52.037 0.100 0.000 0.704 349 A CB 1.840 20.966 19.000 0.210 0.000 1.300 349 A HN 1.052 nan 8.150 nan 0.000 0.406 350 R N 0.596 121.181 120.500 0.143 0.000 2.515 350 R HA 0.664 5.003 4.340 -0.001 0.000 0.278 350 R C -1.622 174.684 176.300 0.009 0.000 1.107 350 R CA -0.041 56.148 56.100 0.149 0.000 0.945 350 R CB 1.937 32.265 30.300 0.047 0.000 1.219 350 R HN 0.880 nan 8.270 nan 0.000 0.434 351 T N 1.137 115.699 114.554 0.013 0.000 2.769 351 T HA 0.223 4.572 4.350 -0.001 0.000 0.306 351 T C -0.701 173.994 174.700 -0.009 0.000 1.400 351 T CA -0.705 61.305 62.100 -0.150 0.000 1.007 351 T CB 1.411 70.003 68.868 -0.461 0.000 1.392 351 T HN 0.257 nan 8.240 nan 0.000 0.500 352 V N 2.032 121.928 119.914 -0.030 0.000 2.814 352 V HA 0.116 4.235 4.120 -0.001 0.000 0.307 352 V C 0.427 176.574 176.094 0.088 0.000 1.089 352 V CA 0.395 62.713 62.300 0.029 0.000 1.212 352 V CB -0.583 31.240 31.823 0.000 0.000 0.912 352 V HN 0.671 nan 8.190 nan 0.000 0.497 353 I N 1.780 122.458 120.570 0.180 0.000 2.863 353 I HA 0.840 5.009 4.170 -0.001 0.000 0.311 353 I C -0.036 176.204 176.117 0.205 0.000 1.026 353 I CA -0.393 61.063 61.300 0.260 0.000 1.077 353 I CB 2.086 40.314 38.000 0.380 0.000 1.262 353 I HN 0.456 nan 8.210 nan 0.000 0.461 354 S N 0.841 116.519 115.700 -0.036 0.000 2.536 354 S HA 0.668 5.137 4.470 -0.001 0.000 0.271 354 S C -0.251 173.785 174.600 -0.940 0.000 1.134 354 S CA -0.669 57.200 58.200 -0.552 0.000 0.897 354 S CB 1.955 64.974 63.200 -0.302 0.000 1.094 354 S HN 1.062 nan 8.310 nan 0.000 0.473 355 G N 0.833 108.526 108.800 -1.846 0.000 2.444 355 G HA2 0.500 4.459 3.960 -0.001 0.000 0.268 355 G HA3 0.500 4.459 3.960 -0.001 0.000 0.268 355 G C -1.116 173.547 174.900 -0.395 0.000 1.203 355 G CA -0.015 44.512 45.100 -0.955 0.000 0.835 355 G HN 0.542 nan 8.290 nan 0.000 0.543 356 D N 1.966 122.262 120.400 -0.173 0.000 2.323 356 D HA 0.240 4.879 4.640 -0.001 0.000 0.242 356 D C -1.651 174.631 176.300 -0.029 0.000 1.347 356 D CA -1.372 52.573 54.000 -0.092 0.000 0.988 356 D CB 2.288 43.049 40.800 -0.065 0.000 1.314 356 D HN 0.075 nan 8.370 nan 0.000 0.564 357 P HA -0.093 nan 4.420 nan 0.000 0.217 357 P C 0.435 177.744 177.300 0.014 0.000 1.148 357 P CA 0.779 63.878 63.100 -0.002 0.000 0.828 357 P CB 0.382 32.067 31.700 -0.026 0.000 0.783 358 N N -0.065 118.651 118.700 0.027 0.000 2.466 358 N HA 0.174 4.913 4.740 -0.001 0.000 0.251 358 N C 0.017 175.568 175.510 0.069 0.000 1.164 358 N CA 0.050 53.144 53.050 0.075 0.000 0.888 358 N CB 0.073 38.634 38.487 0.124 0.000 1.177 358 N HN 0.235 nan 8.380 nan 0.000 0.498 359 L N 0.141 121.393 121.223 0.049 0.000 2.370 359 L HA 0.328 4.667 4.340 -0.001 0.000 0.266 359 L C -0.042 176.855 176.870 0.045 0.000 1.002 359 L CA -0.680 54.184 54.840 0.041 0.000 0.818 359 L CB 2.120 44.192 42.059 0.022 0.000 1.325 359 L HN -0.106 nan 8.230 nan 0.000 0.418 360 E N 1.738 121.962 120.200 0.040 0.000 2.374 360 E HA 0.043 4.392 4.350 -0.001 0.000 0.260 360 E C 0.619 177.230 176.600 0.019 0.000 1.101 360 E CA -0.140 56.283 56.400 0.037 0.000 0.907 360 E CB 1.234 30.953 29.700 0.030 0.000 1.014 360 E HN 0.565 nan 8.360 nan 0.000 0.427 361 L N 2.321 123.546 121.223 0.003 0.000 2.012 361 L HA -0.196 4.143 4.340 -0.001 0.000 0.210 361 L C 1.393 178.211 176.870 -0.088 0.000 1.073 361 L CA 2.171 56.972 54.840 -0.065 0.000 0.748 361 L CB -0.239 41.740 42.059 -0.134 0.000 0.891 361 L HN 0.520 nan 8.230 nan 0.000 0.431 362 D N -1.586 118.754 120.400 -0.101 0.000 2.325 362 D HA -0.035 4.604 4.640 -0.001 0.000 0.225 362 D C 0.522 176.765 176.300 -0.094 0.000 1.096 362 D CA -0.052 53.826 54.000 -0.204 0.000 0.844 362 D CB -0.167 40.529 40.800 -0.175 0.000 0.925 362 D HN 0.502 nan 8.370 nan 0.000 0.513 363 Q N -0.262 119.548 119.800 0.017 0.000 2.237 363 Q HA 0.510 4.850 4.340 -0.001 0.000 0.219 363 Q C -0.940 175.130 176.000 0.117 0.000 0.999 363 Q CA -0.869 54.968 55.803 0.057 0.000 0.959 363 Q CB 2.717 31.468 28.738 0.022 0.000 1.173 363 Q HN 0.042 nan 8.270 nan 0.000 0.527 364 V N 0.074 119.955 119.914 -0.056 0.000 2.610 364 V HA 0.506 4.625 4.120 -0.001 0.000 0.298 364 V C -0.838 175.162 176.094 -0.156 0.000 1.067 364 V CA -0.398 61.717 62.300 -0.308 0.000 0.894 364 V CB 1.564 32.926 31.823 -0.769 0.000 1.015 364 V HN 0.809 nan 8.190 nan 0.000 0.432 365 G N 5.705 114.464 108.800 -0.068 0.000 2.360 365 G HA2 0.489 4.448 3.960 -0.001 0.000 0.279 365 G HA3 0.489 4.448 3.960 -0.001 0.000 0.279 365 G C -0.540 174.448 174.900 0.147 0.000 1.189 365 G CA -0.151 44.968 45.100 0.033 0.000 0.941 365 G HN 0.880 nan 8.290 nan 0.000 0.445 366 V N 6.625 126.624 119.914 0.143 0.000 2.370 366 V HA 0.292 4.411 4.120 -0.001 0.000 0.279 366 V C -1.630 174.518 176.094 0.090 0.000 1.029 366 V CA -1.673 60.775 62.300 0.247 0.000 0.870 366 V CB 1.825 33.775 31.823 0.210 0.000 0.984 366 V HN 0.672 nan 8.190 nan 0.000 0.451 367 P HA 0.012 nan 4.420 nan 0.000 0.266 367 P C 0.237 177.487 177.300 -0.084 0.000 1.195 367 P CA 0.008 63.065 63.100 -0.072 0.000 0.768 367 P CB 1.182 32.788 31.700 -0.156 0.000 0.838 368 K N 2.411 122.728 120.400 -0.138 0.000 2.167 368 K HA -0.092 4.227 4.320 -0.001 0.000 0.203 368 K C 2.041 178.537 176.600 -0.173 0.000 1.052 368 K CA 1.498 57.653 56.287 -0.220 0.000 0.956 368 K CB -0.348 31.961 32.500 -0.319 0.000 0.735 368 K HN 0.467 nan 8.250 nan 0.000 0.451 369 S N 0.875 116.499 115.700 -0.127 0.000 2.382 369 S HA -0.134 4.335 4.470 -0.001 0.000 0.228 369 S C 1.988 176.564 174.600 -0.041 0.000 1.027 369 S CA 1.114 59.263 58.200 -0.086 0.000 0.991 369 S CB -0.599 62.555 63.200 -0.075 0.000 0.823 369 S HN 0.335 nan 8.310 nan 0.000 0.469 370 I N 2.322 122.873 120.570 -0.031 0.000 2.264 370 I HA -0.161 4.008 4.170 -0.001 0.000 0.248 370 I C 2.945 179.110 176.117 0.080 0.000 1.111 370 I CA 1.386 62.704 61.300 0.029 0.000 1.382 370 I CB -0.842 37.182 38.000 0.041 0.000 1.060 370 I HN 0.469 nan 8.210 nan 0.000 0.418 371 A N 0.031 122.882 122.820 0.052 0.000 2.167 371 A HA -0.101 4.218 4.320 -0.001 0.000 0.214 371 A C 2.209 179.846 177.584 0.089 0.000 1.151 371 A CA 0.923 53.026 52.037 0.109 0.000 0.735 371 A CB -0.229 18.827 19.000 0.094 0.000 0.802 371 A HN 0.295 nan 8.150 nan 0.000 0.467 372 K N -1.158 119.227 120.400 -0.024 0.000 2.367 372 K HA 0.069 4.388 4.320 -0.001 0.000 0.194 372 K C 1.049 177.756 176.600 0.179 0.000 1.027 372 K CA 0.852 57.021 56.287 -0.198 0.000 1.075 372 K CB 0.315 32.686 32.500 -0.215 0.000 0.845 372 K HN 0.466 nan 8.250 nan 0.000 0.529 373 T N 0.743 115.400 114.554 0.172 0.000 2.988 373 T HA 0.174 4.523 4.350 -0.001 0.000 0.240 373 T C 0.749 175.590 174.700 0.234 0.000 1.014 373 T CA 0.081 62.287 62.100 0.176 0.000 1.155 373 T CB 0.226 69.154 68.868 0.100 0.000 0.872 373 T HN -0.021 nan 8.240 nan 0.000 0.440 374 L N 3.162 124.533 121.223 0.247 0.000 2.426 374 L HA 0.381 4.720 4.340 -0.001 0.000 0.271 374 L C 0.448 177.528 176.870 0.350 0.000 1.169 374 L CA -0.306 54.721 54.840 0.311 0.000 0.836 374 L CB 0.534 42.761 42.059 0.281 0.000 1.112 374 L HN 0.341 nan 8.230 nan 0.000 0.465 375 T N -0.763 114.034 114.554 0.405 0.000 2.906 375 T HA 0.405 4.754 4.350 -0.001 0.000 0.295 375 T C -1.016 173.790 174.700 0.177 0.000 1.061 375 T CA -0.735 61.534 62.100 0.282 0.000 1.000 375 T CB 1.678 70.687 68.868 0.236 0.000 1.103 375 T HN 0.323 nan 8.240 nan 0.000 0.486 376 Y N 3.482 123.789 120.300 0.013 0.000 2.331 376 Y HA 0.529 5.078 4.550 -0.002 0.000 0.338 376 Y C -2.588 173.289 175.900 -0.039 0.000 0.992 376 Y CA -2.581 55.483 58.100 -0.060 0.000 1.121 376 Y CB 1.869 40.311 38.460 -0.030 0.000 1.184 376 Y HN 0.463 nan 8.280 nan 0.000 0.469 377 P HA 0.161 nan 4.420 nan 0.000 0.281 377 P C -1.256 175.661 177.300 -0.638 0.000 1.252 377 P CA -0.128 62.679 63.100 -0.487 0.000 0.778 377 P CB 1.278 32.745 31.700 -0.388 0.000 0.895 378 E N 2.367 122.444 120.200 -0.205 0.000 2.246 378 E HA 0.333 4.682 4.350 -0.001 0.000 0.266 378 E C -0.668 175.954 176.600 0.037 0.000 0.880 378 E CA -0.932 55.456 56.400 -0.020 0.000 0.762 378 E CB 1.832 31.634 29.700 0.170 0.000 1.180 378 E HN 0.112 nan 8.360 nan 0.000 0.416 379 V N 2.497 122.444 119.914 0.055 0.000 3.133 379 V HA 0.179 4.298 4.120 -0.001 0.000 0.305 379 V C 0.192 176.352 176.094 0.110 0.000 1.084 379 V CA -0.667 61.682 62.300 0.082 0.000 1.089 379 V CB 1.315 33.180 31.823 0.071 0.000 1.073 379 V HN 0.449 nan 8.190 nan 0.000 0.477 380 V N 2.317 122.310 119.914 0.132 0.000 2.328 380 V HA 0.401 4.520 4.120 -0.001 0.000 0.278 380 V C 0.253 176.458 176.094 0.185 0.000 1.021 380 V CA 0.026 62.410 62.300 0.140 0.000 0.838 380 V CB 1.106 32.995 31.823 0.109 0.000 0.999 380 V HN 1.078 nan 8.190 nan 0.000 0.447 381 T N 7.955 122.584 114.554 0.126 0.000 2.912 381 T HA 0.394 4.743 4.350 -0.001 0.000 0.288 381 T C -1.716 172.987 174.700 0.005 0.000 1.030 381 T CA -1.337 60.735 62.100 -0.046 0.000 1.020 381 T CB 2.216 71.015 68.868 -0.115 0.000 1.056 381 T HN 0.384 nan 8.240 nan 0.000 0.480 382 P HA -0.111 nan 4.420 nan 0.000 0.222 382 P C 0.844 178.118 177.300 -0.043 0.000 1.147 382 P CA 1.350 64.405 63.100 -0.074 0.000 0.790 382 P CB -0.063 31.437 31.700 -0.334 0.000 0.780 383 Y N 1.498 121.818 120.300 0.033 0.000 2.293 383 Y HA -0.168 4.382 4.550 -0.002 0.000 0.291 383 Y C 2.281 178.208 175.900 0.044 0.000 1.137 383 Y CA 1.003 59.121 58.100 0.029 0.000 1.202 383 Y CB -1.000 37.469 38.460 0.015 0.000 0.990 383 Y HN 0.182 nan 8.280 nan 0.000 0.537 384 N N -0.133 118.675 118.700 0.179 0.000 2.348 384 N HA -0.046 4.693 4.740 -0.001 0.000 0.183 384 N C 1.368 176.932 175.510 0.091 0.000 1.094 384 N CA 0.277 53.406 53.050 0.132 0.000 0.885 384 N CB -0.919 37.648 38.487 0.133 0.000 1.065 384 N HN 0.382 nan 8.380 nan 0.000 0.472 385 I N 0.864 121.485 120.570 0.085 0.000 2.300 385 I HA -0.329 3.840 4.170 -0.001 0.000 0.252 385 I C 0.617 176.747 176.117 0.022 0.000 1.119 385 I CA 1.735 63.059 61.300 0.039 0.000 1.384 385 I CB -0.039 37.966 38.000 0.009 0.000 1.062 385 I HN 0.010 nan 8.210 nan 0.000 0.426 386 D N -0.196 120.226 120.400 0.036 0.000 2.183 386 D HA -0.167 4.472 4.640 -0.001 0.000 0.203 386 D C 2.221 178.538 176.300 0.028 0.000 0.969 386 D CA 0.808 54.823 54.000 0.026 0.000 0.842 386 D CB -0.139 40.680 40.800 0.031 0.000 0.957 386 D HN 0.298 nan 8.370 nan 0.000 0.484 387 R N 0.013 120.537 120.500 0.040 0.000 2.127 387 R HA 0.080 4.419 4.340 -0.001 0.000 0.217 387 R C 1.949 178.270 176.300 0.035 0.000 1.074 387 R CA 0.430 56.552 56.100 0.037 0.000 0.991 387 R CB 0.020 30.347 30.300 0.045 0.000 0.895 387 R HN 0.181 nan 8.270 nan 0.000 0.450 388 L N -0.356 120.891 121.223 0.041 0.000 2.049 388 L HA -0.068 4.271 4.340 -0.001 0.000 0.203 388 L C 2.279 179.164 176.870 0.025 0.000 1.074 388 L CA 1.459 56.323 54.840 0.040 0.000 0.749 388 L CB -0.626 41.465 42.059 0.055 0.000 0.907 388 L HN 0.198 nan 8.230 nan 0.000 0.439 389 T N -0.782 113.779 114.554 0.011 0.000 2.759 389 T HA -0.290 4.059 4.350 -0.001 0.000 0.269 389 T C 1.745 176.448 174.700 0.006 0.000 1.042 389 T CA 1.767 63.867 62.100 0.000 0.000 1.140 389 T CB -0.221 68.633 68.868 -0.024 0.000 0.864 389 T HN 0.251 nan 8.240 nan 0.000 0.455 390 Q N 0.719 120.524 119.800 0.009 0.000 2.050 390 Q HA -0.075 4.264 4.340 -0.001 0.000 0.202 390 Q C 2.085 178.093 176.000 0.013 0.000 0.980 390 Q CA 1.447 57.256 55.803 0.010 0.000 0.840 390 Q CB -0.738 28.007 28.738 0.012 0.000 0.898 390 Q HN 0.368 nan 8.270 nan 0.000 0.424 391 L N -0.535 120.697 121.223 0.016 0.000 2.056 391 L HA -0.089 4.250 4.340 -0.001 0.000 0.207 391 L C 2.359 179.235 176.870 0.010 0.000 1.078 391 L CA 1.165 56.015 54.840 0.016 0.000 0.749 391 L CB -0.802 41.268 42.059 0.018 0.000 0.901 391 L HN 0.188 nan 8.230 nan 0.000 0.433 392 V N -0.320 119.600 119.914 0.010 0.000 2.278 392 V HA -0.398 3.721 4.120 -0.001 0.000 0.251 392 V C 2.767 178.862 176.094 0.003 0.000 1.062 392 V CA 2.063 64.366 62.300 0.005 0.000 1.038 392 V CB -0.494 31.344 31.823 0.024 0.000 0.646 392 V HN 0.451 nan 8.190 nan 0.000 0.447 393 R N -0.496 120.009 120.500 0.008 0.000 2.092 393 R HA -0.147 4.192 4.340 -0.001 0.000 0.231 393 R C 2.121 178.427 176.300 0.010 0.000 1.119 393 R CA 1.719 57.823 56.100 0.008 0.000 0.970 393 R CB -0.428 29.877 30.300 0.008 0.000 0.864 393 R HN 0.545 nan 8.270 nan 0.000 0.440 394 N N -0.302 118.408 118.700 0.017 0.000 2.205 394 N HA -0.091 4.648 4.740 -0.001 0.000 0.186 394 N C 0.737 176.269 175.510 0.037 0.000 1.015 394 N CA 1.269 54.337 53.050 0.030 0.000 0.862 394 N CB -0.111 38.401 38.487 0.042 0.000 0.986 394 N HN 0.379 nan 8.380 nan 0.000 0.429 395 G N -0.448 108.365 108.800 0.022 0.000 2.877 395 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.279 395 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.279 395 G C -1.852 173.083 174.900 0.059 0.000 1.431 395 G CA -0.178 44.925 45.100 0.004 0.000 0.883 395 G HN 0.120 nan 8.290 nan 0.000 0.547 396 P HA -0.039 nan 4.420 nan 0.000 0.230 396 P C 0.988 178.385 177.300 0.161 0.000 1.158 396 P CA 1.480 64.637 63.100 0.096 0.000 0.769 396 P CB -0.006 31.665 31.700 -0.049 0.000 0.807 397 N N -1.116 117.637 118.700 0.088 0.000 2.454 397 N HA 0.039 4.779 4.740 -0.001 0.000 0.177 397 N C 0.745 176.281 175.510 0.044 0.000 1.049 397 N CA -0.047 53.031 53.050 0.046 0.000 0.887 397 N CB 0.505 39.003 38.487 0.017 0.000 1.095 397 N HN 0.096 nan 8.380 nan 0.000 0.446 398 E N -0.300 119.940 120.200 0.068 0.000 2.248 398 E HA 0.039 4.388 4.350 -0.001 0.000 0.272 398 E C -0.031 176.628 176.600 0.098 0.000 1.008 398 E CA -0.444 55.995 56.400 0.064 0.000 0.856 398 E CB 1.192 30.927 29.700 0.058 0.000 1.120 398 E HN 0.201 nan 8.360 nan 0.000 0.397 399 H N 3.410 122.454 119.070 -0.043 0.000 3.479 399 H HA -0.048 4.507 4.556 -0.002 0.000 0.303 399 H C -1.733 173.599 175.328 0.008 0.000 0.983 399 H CA 0.863 56.851 56.048 -0.100 0.000 0.975 399 H CB -1.209 28.512 29.762 -0.067 0.000 1.701 399 H HN 0.313 nan 8.280 nan 0.000 1.018 400 P HA 0.115 nan 4.420 nan 0.000 0.243 400 P C -0.572 176.737 177.300 0.016 0.000 1.134 400 P CA 1.329 64.232 63.100 -0.328 0.000 1.109 400 P CB -0.219 31.336 31.700 -0.241 0.000 1.140 401 G N 1.466 110.419 108.800 0.254 0.000 2.706 401 G HA2 0.788 4.747 3.960 -0.001 0.000 0.307 401 G HA3 0.788 4.747 3.960 -0.001 0.000 0.307 401 G C -1.965 172.853 174.900 -0.136 0.000 1.307 401 G CA -0.325 44.918 45.100 0.238 0.000 0.790 401 G HN 0.425 nan 8.290 nan 0.000 0.503 402 A N -0.215 122.430 122.820 -0.292 0.000 2.589 402 A HA 0.730 5.049 4.320 -0.001 0.000 0.296 402 A C -0.779 176.641 177.584 -0.275 0.000 1.062 402 A CA -0.670 51.141 52.037 -0.377 0.000 0.686 402 A CB 1.760 20.677 19.000 -0.138 0.000 1.282 402 A HN 0.916 nan 8.150 nan 0.000 0.404 403 K N 0.873 121.135 120.400 -0.230 0.000 2.139 403 K HA 0.692 5.011 4.320 -0.001 0.000 0.243 403 K C -1.088 175.477 176.600 -0.059 0.000 0.983 403 K CA -0.484 55.657 56.287 -0.242 0.000 0.890 403 K CB 0.514 32.790 32.500 -0.372 0.000 1.090 403 K HN 1.014 nan 8.250 nan 0.000 0.445 404 Y N -1.895 118.365 120.300 -0.068 0.000 2.600 404 Y HA -0.209 4.340 4.550 -0.002 0.000 0.035 404 Y C -0.659 175.212 175.900 -0.048 0.000 1.792 404 Y CA -0.285 57.783 58.100 -0.054 0.000 1.349 404 Y CB -1.195 37.242 38.460 -0.040 0.000 1.999 404 Y HN 0.309 nan 8.280 nan 0.000 0.269 405 V N 5.733 125.687 119.914 0.066 0.000 2.378 405 V HA 0.520 4.639 4.120 -0.001 0.000 0.288 405 V C 0.152 176.207 176.094 -0.065 0.000 1.016 405 V CA -0.814 61.503 62.300 0.028 0.000 0.840 405 V CB 1.331 33.182 31.823 0.046 0.000 0.994 405 V HN 0.463 nan 8.190 nan 0.000 0.431 406 I N 5.249 125.773 120.570 -0.076 0.000 2.365 406 I HA 0.524 4.693 4.170 -0.001 0.000 0.291 406 I C 0.633 176.533 176.117 -0.362 0.000 1.004 406 I CA 0.024 61.221 61.300 -0.173 0.000 1.311 406 I CB 0.887 38.828 38.000 -0.099 0.000 1.401 406 I HN 0.540 nan 8.210 nan 0.000 0.491 407 R N 3.406 123.535 120.500 -0.619 0.000 2.719 407 R HA 0.376 4.715 4.340 -0.001 0.000 0.233 407 R C -0.064 175.941 176.300 -0.492 0.000 1.257 407 R CA -0.842 54.585 56.100 -1.121 0.000 1.109 407 R CB 0.406 29.931 30.300 -1.292 0.000 1.447 407 R HN 0.696 nan 8.270 nan 0.000 0.537 408 D N -0.117 120.089 120.400 -0.324 0.000 2.223 408 D HA -0.124 4.515 4.640 -0.001 0.000 0.250 408 D C 0.058 176.284 176.300 -0.124 0.000 1.287 408 D CA 0.515 54.462 54.000 -0.089 0.000 0.977 408 D CB -0.160 40.669 40.800 0.049 0.000 1.177 408 D HN 0.602 nan 8.370 nan 0.000 0.536 409 S N -4.018 111.646 115.700 -0.061 0.000 3.419 409 S HA -0.202 4.267 4.470 -0.001 0.000 0.350 409 S C 1.553 176.108 174.600 -0.074 0.000 1.128 409 S CA 1.893 60.058 58.200 -0.057 0.000 0.999 409 S CB -2.513 60.657 63.200 -0.050 0.000 0.923 409 S HN 1.887 nan 8.310 nan 0.000 0.522 410 G N 0.615 109.367 108.800 -0.080 0.000 2.391 410 G HA2 -0.427 3.532 3.960 -0.001 0.000 0.261 410 G HA3 -0.427 3.532 3.960 -0.001 0.000 0.261 410 G C -0.038 174.809 174.900 -0.089 0.000 0.985 410 G CA 1.149 46.205 45.100 -0.073 0.000 0.638 410 G HN 1.366 nan 8.290 nan 0.000 0.562 411 D N 0.344 120.678 120.400 -0.111 0.000 2.383 411 D HA 0.456 5.095 4.640 -0.001 0.000 0.252 411 D C 1.058 177.289 176.300 -0.116 0.000 1.166 411 D CA -0.346 53.595 54.000 -0.098 0.000 0.879 411 D CB 0.366 41.111 40.800 -0.092 0.000 1.164 411 D HN 0.439 nan 8.370 nan 0.000 0.462 412 R N 2.806 123.272 120.500 -0.057 0.000 2.583 412 R HA 0.630 4.969 4.340 -0.001 0.000 0.268 412 R C -0.303 175.991 176.300 -0.010 0.000 1.101 412 R CA -0.596 55.493 56.100 -0.017 0.000 1.180 412 R CB 0.822 31.161 30.300 0.065 0.000 1.128 412 R HN 0.530 nan 8.270 nan 0.000 0.568 413 I N 0.452 121.033 120.570 0.017 0.000 2.548 413 I HA 0.081 4.250 4.170 -0.001 0.000 0.287 413 I C -1.160 174.943 176.117 -0.023 0.000 1.103 413 I CA -0.660 60.633 61.300 -0.011 0.000 1.049 413 I CB 2.179 40.151 38.000 -0.047 0.000 1.232 413 I HN 0.436 nan 8.210 nan 0.000 0.429 414 D N 7.009 127.373 120.400 -0.060 0.000 2.411 414 D HA 0.253 4.893 4.640 -0.001 0.000 0.225 414 D C 0.858 176.992 176.300 -0.276 0.000 1.156 414 D CA -0.128 53.724 54.000 -0.245 0.000 0.874 414 D CB 1.190 41.897 40.800 -0.155 0.000 1.034 414 D HN 0.462 nan 8.370 nan 0.000 0.502 415 L N 3.634 124.651 121.223 -0.343 0.000 2.549 415 L HA -0.083 4.256 4.340 -0.001 0.000 0.230 415 L C 2.388 179.108 176.870 -0.249 0.000 1.162 415 L CA 0.527 55.228 54.840 -0.232 0.000 0.834 415 L CB -0.245 41.703 42.059 -0.185 0.000 0.947 415 L HN 0.376 nan 8.230 nan 0.000 0.452 416 R N -1.071 119.183 120.500 -0.409 0.000 2.173 416 R HA 0.011 4.351 4.340 -0.001 0.000 0.208 416 R C 0.685 176.757 176.300 -0.379 0.000 1.035 416 R CA 0.307 56.138 56.100 -0.448 0.000 1.004 416 R CB -0.125 29.800 30.300 -0.624 0.000 0.917 416 R HN 0.208 nan 8.270 nan 0.000 0.462 417 Y N 0.629 120.884 120.300 -0.075 0.000 3.135 417 Y HA 0.340 4.890 4.550 -0.001 0.000 0.343 417 Y C 0.308 176.181 175.900 -0.045 0.000 1.322 417 Y CA -0.755 57.317 58.100 -0.047 0.000 0.993 417 Y CB 0.370 38.807 38.460 -0.038 0.000 1.306 417 Y HN 0.119 nan 8.280 nan 0.000 0.798 418 S N 0.359 116.158 115.700 0.166 0.000 3.152 418 S HA -0.175 4.294 4.470 -0.001 0.000 0.857 418 S C 0.246 174.873 174.600 0.046 0.000 1.044 418 S CA 0.364 58.606 58.200 0.070 0.000 1.231 418 S CB -0.270 62.948 63.200 0.030 0.000 0.871 418 S HN 0.803 nan 8.310 nan 0.000 0.252 419 K N 3.662 124.082 120.400 0.034 0.000 2.366 419 K HA 0.114 4.433 4.320 -0.001 0.000 0.198 419 K C 1.289 177.901 176.600 0.020 0.000 1.044 419 K CA 0.382 56.684 56.287 0.026 0.000 0.973 419 K CB 0.025 32.536 32.500 0.020 0.000 0.767 419 K HN 0.484 nan 8.250 nan 0.000 0.475 420 R N 0.550 121.062 120.500 0.019 0.000 2.466 420 R HA 0.244 4.583 4.340 -0.001 0.000 0.279 420 R C 1.274 177.584 176.300 0.017 0.000 0.976 420 R CA 0.432 56.544 56.100 0.020 0.000 1.081 420 R CB 0.695 31.011 30.300 0.026 0.000 1.215 420 R HN 0.298 nan 8.270 nan 0.000 0.546 421 A N 0.226 123.052 122.820 0.009 0.000 2.015 421 A HA -0.011 4.308 4.320 -0.001 0.000 0.219 421 A C 1.858 179.443 177.584 0.002 0.000 1.163 421 A CA 1.533 53.569 52.037 -0.003 0.000 0.646 421 A CB -0.171 18.818 19.000 -0.019 0.000 0.806 421 A HN 0.328 nan 8.150 nan 0.000 0.448 422 G N -1.145 107.658 108.800 0.006 0.000 3.284 422 G HA2 0.181 4.140 3.960 -0.001 0.000 0.236 422 G HA3 0.181 4.140 3.960 -0.001 0.000 0.236 422 G C 0.471 175.377 174.900 0.010 0.000 1.158 422 G CA 0.565 45.670 45.100 0.007 0.000 0.774 422 G HN 0.544 nan 8.290 nan 0.000 0.545 423 D N 0.002 120.411 120.400 0.015 0.000 2.463 423 D HA 0.390 5.029 4.640 -0.001 0.000 0.247 423 D C -0.130 176.185 176.300 0.025 0.000 1.240 423 D CA -0.453 53.558 54.000 0.017 0.000 1.151 423 D CB 1.028 41.840 40.800 0.021 0.000 1.180 423 D HN -0.018 nan 8.370 nan 0.000 0.532 424 I N 0.318 120.912 120.570 0.040 0.000 7.304 424 I HA -0.172 3.997 4.170 -0.001 0.000 0.129 424 I C -1.344 174.796 176.117 0.039 0.000 1.838 424 I CA 0.042 61.386 61.300 0.073 0.000 2.037 424 I CB -0.066 37.985 38.000 0.085 0.000 3.630 424 I HN 0.323 nan 8.210 nan 0.000 0.169 425 Q N 7.696 127.512 119.800 0.026 0.000 2.425 425 Q HA 0.518 4.857 4.340 -0.001 0.000 0.254 425 Q C -0.599 175.244 176.000 -0.262 0.000 1.032 425 Q CA -0.730 55.014 55.803 -0.098 0.000 0.798 425 Q CB 1.737 30.402 28.738 -0.121 0.000 1.210 425 Q HN 0.525 nan 8.270 nan 0.000 0.491 426 L N 2.291 123.362 121.223 -0.254 0.000 2.615 426 L HA -0.036 4.303 4.340 -0.001 0.000 0.271 426 L C 0.802 177.164 176.870 -0.846 0.000 1.183 426 L CA 0.239 54.808 54.840 -0.451 0.000 0.933 426 L CB -0.113 41.844 42.059 -0.170 0.000 1.199 426 L HN 0.381 nan 8.230 nan 0.000 0.487 427 Q N 2.208 121.074 119.800 -1.556 0.000 2.312 427 Q HA 0.245 4.585 4.340 -0.001 0.000 0.236 427 Q C -1.020 174.520 176.000 -0.767 0.000 0.965 427 Q CA -0.111 54.956 55.803 -1.226 0.000 0.894 427 Q CB 0.711 28.591 28.738 -1.431 0.000 1.225 427 Q HN 0.306 nan 8.270 nan 0.000 0.478 428 Y N 0.443 120.528 120.300 -0.360 0.000 2.511 428 Y HA 0.236 4.785 4.550 -0.001 0.000 0.332 428 Y C 1.569 177.407 175.900 -0.103 0.000 1.177 428 Y CA 0.832 58.816 58.100 -0.192 0.000 1.422 428 Y CB 0.694 39.065 38.460 -0.148 0.000 1.271 428 Y HN 0.886 nan 8.280 nan 0.000 0.550 429 G N 1.301 110.207 108.800 0.177 0.000 2.195 429 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.246 429 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.246 429 G C -0.288 174.803 174.900 0.319 0.000 0.984 429 G CA -0.556 44.658 45.100 0.190 0.000 0.633 429 G HN 0.540 nan 8.290 nan 0.000 0.525 430 W N 1.421 122.737 121.300 0.026 0.000 2.161 430 W HA 0.659 5.318 4.660 -0.001 0.000 0.344 430 W C 0.863 177.384 176.519 0.004 0.000 1.262 430 W CA -0.717 56.632 57.345 0.006 0.000 1.270 430 W CB 0.455 29.911 29.460 -0.006 0.000 1.126 430 W HN -0.008 nan 8.180 nan 0.000 0.598 431 K N 1.108 121.621 120.400 0.188 0.000 2.138 431 K HA 0.541 4.860 4.320 -0.001 0.000 0.263 431 K C -1.098 175.556 176.600 0.090 0.000 0.965 431 K CA -0.897 55.443 56.287 0.089 0.000 0.868 431 K CB 1.831 34.334 32.500 0.004 0.000 1.083 431 K HN 0.056 nan 8.250 nan 0.000 0.443 432 V N 2.626 122.584 119.914 0.073 0.000 2.350 432 V HA 0.115 4.234 4.120 -0.001 0.000 0.285 432 V C -0.142 175.973 176.094 0.035 0.000 1.014 432 V CA -0.767 61.573 62.300 0.067 0.000 0.831 432 V CB 1.173 33.041 31.823 0.076 0.000 1.000 432 V HN 0.749 nan 8.190 nan 0.000 0.433 433 E N 5.046 125.272 120.200 0.043 0.000 1.800 433 E HA 0.057 4.406 4.350 -0.001 0.000 0.262 433 E C 0.594 177.208 176.600 0.023 0.000 1.219 433 E CA -0.154 56.273 56.400 0.044 0.000 1.051 433 E CB 0.074 29.842 29.700 0.115 0.000 1.074 433 E HN 0.635 nan 8.360 nan 0.000 0.433 434 R N 1.359 121.880 120.500 0.034 0.000 2.637 434 R HA 0.289 4.628 4.340 -0.001 0.000 0.269 434 R C -0.244 176.068 176.300 0.021 0.000 1.089 434 R CA -0.544 55.555 56.100 -0.002 0.000 1.177 434 R CB 0.464 30.804 30.300 0.065 0.000 1.091 434 R HN 0.354 nan 8.270 nan 0.000 0.540 435 H N -0.467 118.658 119.070 0.092 0.000 2.671 435 H HA 0.156 4.711 4.556 -0.002 0.000 0.372 435 H C -0.036 175.351 175.328 0.098 0.000 1.227 435 H CA -0.432 55.678 56.048 0.103 0.000 1.426 435 H CB 0.674 30.477 29.762 0.068 0.000 1.480 435 H HN 0.338 nan 8.280 nan 0.000 0.611 436 I N 1.987 122.729 120.570 0.287 0.000 2.496 436 I HA 0.036 4.205 4.170 -0.001 0.000 0.285 436 I C -0.095 176.115 176.117 0.154 0.000 1.080 436 I CA 0.739 62.150 61.300 0.185 0.000 1.404 436 I CB 0.220 38.328 38.000 0.181 0.000 1.403 436 I HN 0.360 nan 8.210 nan 0.000 0.539 437 M N 3.571 123.223 119.600 0.087 0.000 2.796 437 M HA 0.396 4.875 4.480 -0.001 0.000 0.303 437 M C -0.714 175.620 176.300 0.057 0.000 1.240 437 M CA -1.168 54.168 55.300 0.060 0.000 0.831 437 M CB 1.119 33.726 32.600 0.011 0.000 1.750 437 M HN 0.286 nan 8.290 nan 0.000 0.484 438 D N 2.082 122.518 120.400 0.060 0.000 2.571 438 D HA 0.004 4.643 4.640 -0.001 0.000 0.231 438 D C -0.181 176.130 176.300 0.018 0.000 1.133 438 D CA 1.310 55.337 54.000 0.045 0.000 0.862 438 D CB 0.051 40.878 40.800 0.046 0.000 1.179 438 D HN 0.524 nan 8.370 nan 0.000 0.474 439 N N 1.423 120.130 118.700 0.011 0.000 2.746 439 N HA -0.193 4.546 4.740 -0.001 0.000 0.250 439 N C -1.305 174.190 175.510 -0.024 0.000 1.055 439 N CA 0.658 53.704 53.050 -0.006 0.000 0.699 439 N CB -0.948 37.535 38.487 -0.007 0.000 0.919 439 N HN 0.463 nan 8.380 nan 0.000 0.548 440 D N 0.150 120.535 120.400 -0.025 0.000 2.185 440 D HA 0.403 5.042 4.640 -0.001 0.000 0.247 440 D C -2.248 174.027 176.300 -0.042 0.000 1.027 440 D CA -1.292 52.671 54.000 -0.061 0.000 0.861 440 D CB 1.289 42.048 40.800 -0.068 0.000 1.202 440 D HN -0.008 nan 8.370 nan 0.000 0.453 441 P HA 0.129 nan 4.420 nan 0.000 0.276 441 P C -0.977 176.327 177.300 0.006 0.000 1.243 441 P CA -0.413 62.673 63.100 -0.024 0.000 0.768 441 P CB 0.734 32.410 31.700 -0.039 0.000 0.856 442 V N 2.050 121.993 119.914 0.048 0.000 2.760 442 V HA 0.434 4.553 4.120 -0.001 0.000 0.309 442 V C -0.527 175.653 176.094 0.143 0.000 1.077 442 V CA -1.204 61.145 62.300 0.081 0.000 0.910 442 V CB 2.168 34.028 31.823 0.062 0.000 1.008 442 V HN 0.342 nan 8.190 nan 0.000 0.424 443 L N 4.144 125.471 121.223 0.173 0.000 2.367 443 L HA 0.515 4.854 4.340 -0.001 0.000 0.275 443 L C -1.106 175.940 176.870 0.292 0.000 1.129 443 L CA -0.100 54.872 54.840 0.221 0.000 0.839 443 L CB 1.101 43.277 42.059 0.194 0.000 1.133 443 L HN 0.826 nan 8.230 nan 0.000 0.453 444 F N 5.735 125.741 119.950 0.093 0.000 2.539 444 F HA 0.429 4.955 4.527 -0.002 0.000 0.318 444 F C -0.367 175.479 175.800 0.076 0.000 1.135 444 F CA -0.861 57.105 58.000 -0.057 0.000 0.915 444 F CB 1.369 40.215 39.000 -0.258 0.000 1.176 444 F HN 0.474 nan 8.300 nan 0.000 0.440 445 N N 5.500 123.921 118.700 -0.465 0.000 2.264 445 N HA 0.394 5.133 4.740 -0.001 0.000 0.288 445 N C -2.030 173.286 175.510 -0.323 0.000 1.094 445 N CA -0.590 52.373 53.050 -0.145 0.000 0.817 445 N CB 2.523 41.029 38.487 0.032 0.000 1.604 445 N HN 0.698 nan 8.380 nan 0.000 0.473 446 R N 2.300 122.741 120.500 -0.099 0.000 2.670 446 R HA 0.353 4.692 4.340 -0.001 0.000 0.289 446 R C -1.134 175.163 176.300 -0.005 0.000 0.965 446 R CA -0.237 55.796 56.100 -0.112 0.000 0.899 446 R CB 1.613 31.872 30.300 -0.068 0.000 1.173 446 R HN 0.710 nan 8.270 nan 0.000 0.456 447 Q N 2.592 122.379 119.800 -0.023 0.000 2.306 447 Q HA 0.454 4.793 4.340 -0.001 0.000 0.265 447 Q C -2.158 173.837 176.000 -0.007 0.000 1.022 447 Q CA -1.916 53.885 55.803 -0.004 0.000 0.853 447 Q CB 1.885 30.619 28.738 -0.007 0.000 1.327 447 Q HN 0.401 nan 8.270 nan 0.000 0.449 448 P HA 0.063 nan 4.420 nan 0.000 0.276 448 P C -1.190 176.111 177.300 0.002 0.000 1.243 448 P CA -0.446 62.650 63.100 -0.006 0.000 0.768 448 P CB 0.817 32.507 31.700 -0.016 0.000 0.856 449 S N 3.249 118.957 115.700 0.012 0.000 2.399 449 S HA 0.482 4.951 4.470 -0.001 0.000 0.301 449 S C -0.047 174.562 174.600 0.015 0.000 1.093 449 S CA -0.705 57.514 58.200 0.031 0.000 1.077 449 S CB -0.432 62.791 63.200 0.038 0.000 0.980 449 S HN 0.299 nan 8.310 nan 0.000 0.494 450 L N 0.336 121.563 121.223 0.006 0.000 2.470 450 L HA 0.658 4.997 4.340 -0.001 0.000 0.256 450 L C -0.605 176.239 176.870 -0.044 0.000 1.357 450 L CA -0.659 54.155 54.840 -0.045 0.000 0.902 450 L CB -0.795 41.203 42.059 -0.103 0.000 1.121 450 L HN 0.934 nan 8.230 nan 0.000 0.507 451 H N 0.161 119.191 119.070 -0.067 0.000 2.809 451 H HA 0.034 4.589 4.556 -0.002 0.000 0.248 451 H C -0.337 174.943 175.328 -0.080 0.000 1.247 451 H CA -0.047 55.952 56.048 -0.082 0.000 1.716 451 H CB 1.361 31.075 29.762 -0.081 0.000 1.794 451 H HN 0.509 nan 8.280 nan 0.000 0.476 452 K N 1.051 121.424 120.400 -0.045 0.000 2.186 452 K HA 0.041 4.360 4.320 -0.001 0.000 0.202 452 K C 1.248 177.752 176.600 -0.159 0.000 1.052 452 K CA 1.409 57.636 56.287 -0.100 0.000 0.965 452 K CB 0.143 32.570 32.500 -0.121 0.000 0.746 452 K HN 0.251 nan 8.250 nan 0.000 0.457 453 M N 1.531 120.932 119.600 -0.331 0.000 2.630 453 M HA 0.071 4.550 4.480 -0.001 0.000 0.254 453 M C 1.271 177.373 176.300 -0.330 0.000 1.092 453 M CA 0.830 55.893 55.300 -0.395 0.000 1.087 453 M CB 0.112 32.381 32.600 -0.551 0.000 1.453 453 M HN -0.013 nan 8.290 nan 0.000 0.509 454 S N 0.094 115.744 115.700 -0.083 0.000 2.720 454 S HA 0.251 4.720 4.470 -0.001 0.000 0.222 454 S C 0.359 175.027 174.600 0.114 0.000 0.958 454 S CA 0.329 58.562 58.200 0.054 0.000 0.943 454 S CB -0.311 62.971 63.200 0.136 0.000 0.779 454 S HN 0.425 nan 8.310 nan 0.000 0.526 455 M N 1.246 120.869 119.600 0.038 0.000 2.295 455 M HA 0.397 4.876 4.480 -0.001 0.000 0.219 455 M C -1.721 174.635 176.300 0.093 0.000 0.981 455 M CA 0.252 55.622 55.300 0.116 0.000 1.019 455 M CB 0.930 33.565 32.600 0.059 0.000 2.528 455 M HN 0.047 nan 8.290 nan 0.000 0.445 456 M N 2.201 121.940 119.600 0.232 0.000 2.518 456 M HA 0.789 5.268 4.480 -0.001 0.000 0.300 456 M C -0.451 176.034 176.300 0.309 0.000 1.175 456 M CA -0.794 54.618 55.300 0.187 0.000 0.890 456 M CB 2.430 35.099 32.600 0.115 0.000 1.710 456 M HN 0.603 nan 8.290 nan 0.000 0.453 457 A N 2.179 125.084 122.820 0.142 0.000 2.320 457 A HA 0.517 4.836 4.320 -0.001 0.000 0.287 457 A C -0.855 176.770 177.584 0.069 0.000 1.181 457 A CA -0.250 51.868 52.037 0.135 0.000 0.831 457 A CB 0.080 19.109 19.000 0.047 0.000 1.102 457 A HN 0.853 nan 8.150 nan 0.000 0.513 458 H N 1.265 120.334 119.070 -0.001 0.000 2.651 458 H HA 0.374 4.929 4.556 -0.001 0.000 0.353 458 H C -0.326 174.960 175.328 -0.071 0.000 1.178 458 H CA -0.728 55.280 56.048 -0.066 0.000 1.224 458 H CB 1.475 31.126 29.762 -0.185 0.000 1.702 458 H HN 0.673 nan 8.280 nan 0.000 0.550 459 R N 0.968 121.489 120.500 0.034 0.000 2.265 459 R HA 0.232 4.571 4.340 -0.001 0.000 0.314 459 R C -0.531 175.772 176.300 0.006 0.000 1.053 459 R CA -0.563 55.541 56.100 0.006 0.000 0.931 459 R CB 1.019 31.314 30.300 -0.008 0.000 1.024 459 R HN 0.238 nan 8.270 nan 0.000 0.457 460 V N 3.626 123.540 119.914 0.001 0.000 2.655 460 V HA 0.032 4.151 4.120 -0.001 0.000 0.300 460 V C 0.132 176.238 176.094 0.020 0.000 1.044 460 V CA 0.384 62.687 62.300 0.005 0.000 1.095 460 V CB 1.035 32.874 31.823 0.027 0.000 0.952 460 V HN 0.600 nan 8.190 nan 0.000 0.485 461 K N 4.610 125.023 120.400 0.022 0.000 2.656 461 K HA 0.438 4.757 4.320 -0.001 0.000 0.241 461 K C -1.218 175.410 176.600 0.047 0.000 0.967 461 K CA -0.394 55.915 56.287 0.036 0.000 0.946 461 K CB 1.449 33.965 32.500 0.025 0.000 1.164 461 K HN 0.364 nan 8.250 nan 0.000 0.459 462 V N 5.843 125.798 119.914 0.070 0.000 2.655 462 V HA 0.281 4.400 4.120 -0.001 0.000 0.300 462 V C 0.388 176.479 176.094 -0.004 0.000 1.044 462 V CA 0.107 62.434 62.300 0.044 0.000 1.095 462 V CB -0.214 31.678 31.823 0.115 0.000 0.952 462 V HN 0.749 nan 8.190 nan 0.000 0.485 463 I N 3.484 124.031 120.570 -0.038 0.000 3.006 463 I HA 0.725 4.894 4.170 -0.001 0.000 0.306 463 I C -2.789 173.284 176.117 -0.074 0.000 1.250 463 I CA -2.500 58.784 61.300 -0.028 0.000 0.996 463 I CB 2.022 40.040 38.000 0.031 0.000 1.261 463 I HN 0.355 nan 8.210 nan 0.000 0.442 464 P HA 0.235 nan 4.420 nan 0.000 0.273 464 P C -1.105 176.126 177.300 -0.116 0.000 1.250 464 P CA 0.385 63.349 63.100 -0.227 0.000 0.793 464 P CB 0.171 31.669 31.700 -0.337 0.000 1.011 465 Y N -2.371 117.885 120.300 -0.074 0.000 2.505 465 Y HA -0.216 4.333 4.550 -0.002 0.000 0.021 465 Y C 1.043 176.883 175.900 -0.100 0.000 1.700 465 Y CA 0.616 58.669 58.100 -0.077 0.000 1.420 465 Y CB -2.017 36.402 38.460 -0.068 0.000 2.065 465 Y HN 0.342 nan 8.280 nan 0.000 0.254 466 S N -0.855 114.886 115.700 0.068 0.000 2.561 466 S HA 0.297 4.766 4.470 -0.001 0.000 0.245 466 S C -0.082 174.437 174.600 -0.135 0.000 1.001 466 S CA 0.079 58.242 58.200 -0.062 0.000 1.002 466 S CB -0.112 63.052 63.200 -0.059 0.000 0.805 466 S HN 0.730 nan 8.310 nan 0.000 0.458 467 T N -0.620 113.875 114.554 -0.099 0.000 2.856 467 T HA 0.669 5.018 4.350 -0.001 0.000 0.283 467 T C -0.226 174.412 174.700 -0.103 0.000 1.008 467 T CA -0.814 61.209 62.100 -0.129 0.000 0.997 467 T CB 0.557 69.393 68.868 -0.053 0.000 0.992 467 T HN 0.151 nan 8.240 nan 0.000 0.454 468 F N 2.026 121.994 119.950 0.030 0.000 2.572 468 F HA 0.290 4.816 4.527 -0.001 0.000 0.370 468 F C 1.629 177.418 175.800 -0.017 0.000 1.103 468 F CA -0.617 57.396 58.000 0.023 0.000 1.286 468 F CB 0.691 39.771 39.000 0.133 0.000 1.105 468 F HN 0.285 nan 8.300 nan 0.000 0.583 469 R N 4.292 124.881 120.500 0.149 0.000 2.589 469 R HA 0.779 5.118 4.340 -0.001 0.000 0.293 469 R C -1.335 174.953 176.300 -0.019 0.000 0.963 469 R CA -1.079 55.032 56.100 0.019 0.000 0.905 469 R CB 1.781 32.074 30.300 -0.012 0.000 1.144 469 R HN 0.515 nan 8.270 nan 0.000 0.459 470 L N -1.175 120.048 121.223 0.000 0.000 2.409 470 L HA 0.515 4.854 4.340 -0.001 0.000 0.255 470 L C -0.383 176.537 176.870 0.083 0.000 1.027 470 L CA -1.130 53.732 54.840 0.036 0.000 0.834 470 L CB 1.098 43.206 42.059 0.081 0.000 1.426 470 L HN 0.412 nan 8.230 nan 0.000 0.411 471 N N 0.514 119.273 118.700 0.098 0.000 2.513 471 N HA 0.196 4.935 4.740 -0.001 0.000 0.268 471 N C 0.699 176.292 175.510 0.138 0.000 1.180 471 N CA -0.159 52.940 53.050 0.082 0.000 0.948 471 N CB 1.267 39.776 38.487 0.036 0.000 1.083 471 N HN 0.795 nan 8.380 nan 0.000 0.455 472 L N 2.407 123.720 121.223 0.151 0.000 2.187 472 L HA -0.134 4.205 4.340 -0.001 0.000 0.213 472 L C 2.176 179.116 176.870 0.116 0.000 1.100 472 L CA 0.982 55.946 54.840 0.207 0.000 0.765 472 L CB -0.379 41.795 42.059 0.193 0.000 0.904 472 L HN 0.475 nan 8.230 nan 0.000 0.437 473 S N -1.335 114.381 115.700 0.027 0.000 2.607 473 S HA -0.001 4.468 4.470 -0.001 0.000 0.224 473 S C 1.555 176.079 174.600 -0.128 0.000 0.969 473 S CA 0.487 58.635 58.200 -0.086 0.000 0.927 473 S CB 0.120 63.162 63.200 -0.263 0.000 0.772 473 S HN 0.274 nan 8.310 nan 0.000 0.533 474 V N 0.690 120.607 119.914 0.005 0.000 3.621 474 V HA 0.056 4.175 4.120 -0.001 0.000 0.285 474 V C 1.912 178.156 176.094 0.250 0.000 1.346 474 V CA 0.694 63.054 62.300 0.100 0.000 1.104 474 V CB -0.338 31.633 31.823 0.247 0.000 0.913 474 V HN 0.388 nan 8.190 nan 0.000 0.432 475 T N 0.424 115.078 114.554 0.166 0.000 2.624 475 T HA -0.203 4.146 4.350 -0.001 0.000 0.268 475 T C 2.014 176.771 174.700 0.095 0.000 1.041 475 T CA 2.672 64.840 62.100 0.113 0.000 1.159 475 T CB -0.060 68.825 68.868 0.029 0.000 0.863 475 T HN 0.657 nan 8.240 nan 0.000 0.434 476 S N 1.316 117.046 115.700 0.049 0.000 2.362 476 S HA 0.010 4.479 4.470 -0.001 0.000 0.221 476 S C -0.417 174.198 174.600 0.024 0.000 1.032 476 S CA 0.972 59.190 58.200 0.030 0.000 0.973 476 S CB -1.155 62.057 63.200 0.019 0.000 0.849 476 S HN 0.537 nan 8.310 nan 0.000 0.465 477 P HA -0.146 nan 4.420 nan 0.000 0.217 477 P C 0.687 177.927 177.300 -0.099 0.000 1.148 477 P CA 1.381 64.395 63.100 -0.143 0.000 0.828 477 P CB -0.225 31.269 31.700 -0.344 0.000 0.783 478 Y N -0.956 119.378 120.300 0.055 0.000 2.457 478 Y HA -0.001 4.548 4.550 -0.001 0.000 0.292 478 Y C 0.980 176.890 175.900 0.016 0.000 1.125 478 Y CA 0.267 58.393 58.100 0.044 0.000 1.254 478 Y CB -0.763 37.720 38.460 0.039 0.000 1.012 478 Y HN -0.032 nan 8.280 nan 0.000 0.555 479 N N 0.508 119.295 118.700 0.144 0.000 2.642 479 N HA -0.196 4.544 4.740 -0.001 0.000 0.269 479 N C -1.182 174.339 175.510 0.019 0.000 1.073 479 N CA 0.611 53.695 53.050 0.057 0.000 0.748 479 N CB -0.833 37.669 38.487 0.025 0.000 0.894 479 N HN 0.359 nan 8.380 nan 0.000 0.548 480 A N 1.271 124.081 122.820 -0.016 0.000 2.386 480 A HA 0.665 4.984 4.320 -0.001 0.000 0.311 480 A C -0.174 177.232 177.584 -0.296 0.000 1.068 480 A CA -0.382 51.587 52.037 -0.113 0.000 0.743 480 A CB 1.114 20.063 19.000 -0.085 0.000 1.258 480 A HN 0.550 nan 8.150 nan 0.000 0.429 481 D N -0.133 120.072 120.400 -0.326 0.000 2.589 481 D HA 0.574 5.213 4.640 -0.001 0.000 0.268 481 D C -0.384 175.526 176.300 -0.650 0.000 1.182 481 D CA -0.385 53.285 54.000 -0.549 0.000 1.087 481 D CB 0.253 40.895 40.800 -0.263 0.000 1.186 481 D HN 0.347 nan 8.370 nan 0.000 0.620 482 F N -0.837 119.123 119.950 0.018 0.000 2.805 482 F HA 0.198 4.724 4.527 -0.002 0.000 0.317 482 F C 0.324 176.125 175.800 0.002 0.000 1.146 482 F CA -0.700 57.307 58.000 0.012 0.000 1.265 482 F CB 0.359 39.366 39.000 0.011 0.000 0.992 482 F HN 0.156 nan 8.300 nan 0.000 0.511 483 D N -0.474 119.983 120.400 0.095 0.000 2.352 483 D HA 0.267 4.906 4.640 -0.001 0.000 0.236 483 D C 1.515 177.841 176.300 0.043 0.000 1.148 483 D CA 0.312 54.346 54.000 0.057 0.000 0.844 483 D CB 0.234 41.045 40.800 0.019 0.000 0.933 483 D HN 0.316 nan 8.370 nan 0.000 0.507 484 G N 0.153 108.992 108.800 0.065 0.000 2.148 484 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.157 484 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.157 484 G C -0.544 174.377 174.900 0.036 0.000 1.012 484 G CA -0.394 44.734 45.100 0.046 0.000 0.677 484 G HN 0.380 nan 8.290 nan 0.000 0.506 485 D N 0.225 120.649 120.400 0.039 0.000 2.362 485 D HA 0.511 5.150 4.640 -0.001 0.000 0.238 485 D C 0.506 176.830 176.300 0.039 0.000 1.212 485 D CA 0.460 54.470 54.000 0.018 0.000 0.902 485 D CB 0.802 41.593 40.800 -0.014 0.000 1.180 485 D HN 0.388 nan 8.370 nan 0.000 0.445 486 E N -0.145 120.064 120.200 0.015 0.000 2.308 486 E HA 0.408 4.757 4.350 -0.001 0.000 0.275 486 E C -1.303 175.292 176.600 -0.009 0.000 0.890 486 E CA -0.694 55.724 56.400 0.030 0.000 0.754 486 E CB 1.218 30.926 29.700 0.014 0.000 1.207 486 E HN 0.323 nan 8.360 nan 0.000 0.426 487 M N 2.249 121.864 119.600 0.024 0.000 2.602 487 M HA 0.468 4.947 4.480 -0.001 0.000 0.312 487 M C -0.432 175.777 176.300 -0.153 0.000 1.181 487 M CA -1.139 54.041 55.300 -0.200 0.000 0.910 487 M CB 1.788 34.014 32.600 -0.623 0.000 1.723 487 M HN 0.384 nan 8.290 nan 0.000 0.459 488 N N 1.609 120.126 118.700 -0.305 0.000 2.434 488 N HA 0.728 5.467 4.740 -0.001 0.000 0.266 488 N C -1.297 173.976 175.510 -0.396 0.000 1.223 488 N CA -0.410 52.501 53.050 -0.231 0.000 0.972 488 N CB 1.621 40.010 38.487 -0.163 0.000 1.207 488 N HN 0.620 nan 8.380 nan 0.000 0.525 489 L N 0.270 121.343 121.223 -0.249 0.000 2.526 489 L HA 0.355 4.694 4.340 -0.001 0.000 0.263 489 L C -1.584 175.185 176.870 -0.168 0.000 0.943 489 L CA -0.581 54.190 54.840 -0.114 0.000 0.859 489 L CB 1.493 43.519 42.059 -0.055 0.000 1.313 489 L HN 0.520 nan 8.230 nan 0.000 0.406 490 H N 4.294 123.419 119.070 0.092 0.000 2.529 490 H HA 0.446 5.002 4.556 -0.001 0.000 0.348 490 H C -1.015 174.383 175.328 0.118 0.000 1.079 490 H CA -0.638 55.478 56.048 0.114 0.000 1.198 490 H CB 2.589 32.404 29.762 0.089 0.000 1.521 490 H HN 0.335 nan 8.280 nan 0.000 0.514 491 V N 6.266 126.325 119.914 0.241 0.000 2.370 491 V HA 0.155 4.275 4.120 -0.001 0.000 0.279 491 V C -1.834 174.317 176.094 0.095 0.000 1.029 491 V CA -1.607 60.789 62.300 0.160 0.000 0.870 491 V CB 1.329 33.251 31.823 0.165 0.000 0.984 491 V HN 0.623 nan 8.190 nan 0.000 0.451 492 P HA 0.120 nan 4.420 nan 0.000 0.268 492 P C -0.370 176.975 177.300 0.077 0.000 1.204 492 P CA -0.073 63.063 63.100 0.060 0.000 0.768 492 P CB 1.107 32.839 31.700 0.053 0.000 0.842 493 Q N 0.122 119.925 119.800 0.004 0.000 2.247 493 Q HA 0.160 4.499 4.340 -0.001 0.000 0.211 493 Q C 0.669 176.652 176.000 -0.027 0.000 0.861 493 Q CA 0.346 56.090 55.803 -0.098 0.000 0.949 493 Q CB 0.698 29.251 28.738 -0.309 0.000 1.115 493 Q HN 0.417 nan 8.270 nan 0.000 0.507 494 S N -0.367 115.399 115.700 0.111 0.000 2.599 494 S HA 0.286 4.755 4.470 -0.001 0.000 0.294 494 S C 0.775 175.485 174.600 0.183 0.000 1.094 494 S CA -0.455 57.799 58.200 0.090 0.000 0.931 494 S CB 1.530 64.750 63.200 0.033 0.000 1.093 494 S HN -0.086 nan 8.310 nan 0.000 0.488 495 E N 1.518 121.809 120.200 0.151 0.000 2.077 495 E HA -0.121 4.228 4.350 -0.001 0.000 0.193 495 E C 1.692 178.341 176.600 0.082 0.000 0.989 495 E CA 1.248 57.735 56.400 0.145 0.000 0.800 495 E CB -0.056 29.715 29.700 0.117 0.000 0.746 495 E HN 0.797 nan 8.360 nan 0.000 0.452 496 E N -0.035 120.202 120.200 0.061 0.000 2.442 496 E HA -0.017 4.332 4.350 -0.001 0.000 0.195 496 E C 1.617 178.238 176.600 0.035 0.000 1.030 496 E CA 0.552 56.978 56.400 0.043 0.000 0.869 496 E CB -0.327 29.396 29.700 0.039 0.000 0.857 496 E HN -0.022 nan 8.360 nan 0.000 0.505 497 T N 2.207 116.786 114.554 0.042 0.000 2.777 497 T HA -0.122 4.227 4.350 -0.001 0.000 0.266 497 T C 1.878 176.595 174.700 0.028 0.000 1.040 497 T CA 1.943 64.063 62.100 0.034 0.000 1.141 497 T CB -0.149 68.744 68.868 0.042 0.000 0.868 497 T HN 0.455 nan 8.240 nan 0.000 0.444 498 R N 1.552 122.070 120.500 0.031 0.000 2.148 498 R HA 0.280 4.619 4.340 -0.001 0.000 0.223 498 R C 2.514 178.811 176.300 -0.005 0.000 1.088 498 R CA 1.056 57.154 56.100 -0.004 0.000 0.985 498 R CB -0.526 29.738 30.300 -0.060 0.000 0.880 498 R HN 0.288 nan 8.270 nan 0.000 0.451 499 A N 2.007 124.833 122.820 0.009 0.000 1.858 499 A HA -0.226 4.093 4.320 -0.001 0.000 0.216 499 A C 2.148 179.737 177.584 0.008 0.000 1.190 499 A CA 1.625 53.668 52.037 0.010 0.000 0.617 499 A CB -0.604 18.410 19.000 0.022 0.000 0.827 499 A HN 0.534 nan 8.150 nan 0.000 0.443 500 E N -0.628 119.578 120.200 0.012 0.000 2.209 500 E HA -0.149 4.200 4.350 -0.001 0.000 0.196 500 E C 1.853 178.453 176.600 0.000 0.000 0.993 500 E CA 0.706 57.111 56.400 0.007 0.000 0.819 500 E CB -0.083 29.620 29.700 0.005 0.000 0.745 500 E HN 0.498 nan 8.360 nan 0.000 0.477 501 L N 0.369 121.593 121.223 0.003 0.000 2.023 501 L HA -0.101 4.238 4.340 -0.001 0.000 0.205 501 L C 2.523 179.390 176.870 -0.005 0.000 1.073 501 L CA 1.884 56.727 54.840 0.005 0.000 0.745 501 L CB -0.868 41.200 42.059 0.014 0.000 0.900 501 L HN 0.275 nan 8.230 nan 0.000 0.435 502 S N -1.873 113.821 115.700 -0.011 0.000 2.562 502 S HA -0.037 4.432 4.470 -0.001 0.000 0.221 502 S C 1.514 176.102 174.600 -0.020 0.000 0.975 502 S CA 0.101 58.289 58.200 -0.019 0.000 0.918 502 S CB 0.190 63.377 63.200 -0.022 0.000 0.772 502 S HN 0.392 nan 8.310 nan 0.000 0.531 503 Q N 0.329 120.121 119.800 -0.014 0.000 2.378 503 Q HA 0.428 4.767 4.340 -0.001 0.000 0.229 503 Q C 1.683 177.671 176.000 -0.021 0.000 0.882 503 Q CA 0.418 56.213 55.803 -0.012 0.000 0.936 503 Q CB 0.123 28.862 28.738 0.002 0.000 1.092 503 Q HN 0.536 nan 8.270 nan 0.000 0.535 504 L N -1.725 119.483 121.223 -0.025 0.000 2.526 504 L HA 0.151 4.490 4.340 -0.001 0.000 0.210 504 L C 1.718 178.559 176.870 -0.047 0.000 1.048 504 L CA 0.272 55.089 54.840 -0.039 0.000 0.852 504 L CB 0.165 42.204 42.059 -0.033 0.000 1.128 504 L HN 0.028 nan 8.230 nan 0.000 0.482 505 C N 0.674 119.953 119.300 -0.035 0.000 2.780 505 C HA 0.442 4.901 4.460 -0.001 0.000 0.267 505 C C 1.562 176.527 174.990 -0.042 0.000 1.266 505 C CA -0.994 58.005 59.018 -0.033 0.000 1.709 505 C CB -0.545 27.193 27.740 -0.004 0.000 1.975 505 C HN 0.391 nan 8.230 nan 0.000 0.582 506 A N 1.155 123.945 122.820 -0.049 0.000 2.587 506 A HA 0.252 4.572 4.320 -0.001 0.000 0.235 506 A C 1.470 178.985 177.584 -0.115 0.000 1.044 506 A CA 0.417 52.408 52.037 -0.075 0.000 0.754 506 A CB 0.285 19.246 19.000 -0.065 0.000 0.968 506 A HN 0.300 nan 8.150 nan 0.000 0.509 507 V N 3.986 123.790 119.914 -0.185 0.000 2.250 507 V HA -0.242 3.878 4.120 -0.001 0.000 0.250 507 V C -0.196 175.803 176.094 -0.158 0.000 1.060 507 V CA 2.785 64.950 62.300 -0.224 0.000 1.030 507 V CB -1.849 29.749 31.823 -0.376 0.000 0.643 507 V HN 0.829 nan 8.190 nan 0.000 0.445 508 P HA -0.143 nan 4.420 nan 0.000 0.214 508 P C 1.320 178.582 177.300 -0.063 0.000 1.163 508 P CA 1.467 64.528 63.100 -0.065 0.000 0.889 508 P CB -0.247 31.427 31.700 -0.044 0.000 0.790 509 L N -3.287 117.892 121.223 -0.074 0.000 2.862 509 L HA 0.278 4.617 4.340 -0.001 0.000 0.240 509 L C 0.926 177.732 176.870 -0.105 0.000 1.283 509 L CA 0.579 55.371 54.840 -0.080 0.000 1.117 509 L CB -0.599 41.419 42.059 -0.068 0.000 1.444 509 L HN -0.158 nan 8.230 nan 0.000 0.456 510 Q N -0.544 119.184 119.800 -0.120 0.000 2.127 510 Q HA 0.333 4.672 4.340 -0.001 0.000 0.222 510 Q C 1.748 177.659 176.000 -0.148 0.000 0.794 510 Q CA 0.127 55.842 55.803 -0.147 0.000 1.010 510 Q CB 0.911 29.548 28.738 -0.169 0.000 1.170 510 Q HN 0.679 nan 8.270 nan 0.000 0.479 511 I N 0.092 120.594 120.570 -0.113 0.000 2.226 511 I HA -0.135 4.034 4.170 -0.001 0.000 0.245 511 I C 1.009 177.062 176.117 -0.107 0.000 1.100 511 I CA 1.055 62.309 61.300 -0.077 0.000 1.374 511 I CB 0.376 38.386 38.000 0.017 0.000 1.057 511 I HN -0.100 nan 8.210 nan 0.000 0.413 512 V N 0.762 120.586 119.914 -0.150 0.000 2.328 512 V HA 0.299 4.418 4.120 -0.001 0.000 0.278 512 V C -0.153 175.829 176.094 -0.187 0.000 1.021 512 V CA -0.284 61.889 62.300 -0.213 0.000 0.838 512 V CB 1.412 33.055 31.823 -0.301 0.000 0.999 512 V HN 0.157 nan 8.190 nan 0.000 0.447 513 S N 8.484 124.089 115.700 -0.158 0.000 2.480 513 S HA 0.571 5.040 4.470 -0.001 0.000 0.286 513 S C -1.258 173.300 174.600 -0.071 0.000 1.180 513 S CA -1.419 56.704 58.200 -0.129 0.000 1.075 513 S CB 1.782 64.897 63.200 -0.141 0.000 0.996 513 S HN 0.744 nan 8.310 nan 0.000 0.487 514 P HA -0.162 nan 4.420 nan 0.000 0.223 514 P C 1.153 178.558 177.300 0.176 0.000 1.144 514 P CA 0.838 63.982 63.100 0.074 0.000 0.783 514 P CB 0.182 31.933 31.700 0.085 0.000 0.771 515 Q N 0.508 120.333 119.800 0.042 0.000 2.061 515 Q HA -0.102 4.237 4.340 -0.001 0.000 0.204 515 Q C 0.932 176.947 176.000 0.025 0.000 0.984 515 Q CA 1.919 57.734 55.803 0.021 0.000 0.846 515 Q CB -0.039 28.672 28.738 -0.044 0.000 0.902 515 Q HN 0.123 nan 8.270 nan 0.000 0.421 516 S N 0.014 115.687 115.700 -0.044 0.000 3.053 516 S HA 0.105 4.574 4.470 -0.001 0.000 0.255 516 S C -0.834 173.759 174.600 -0.012 0.000 0.976 516 S CA 0.077 58.163 58.200 -0.190 0.000 1.159 516 S CB 0.314 63.422 63.200 -0.152 0.000 1.110 516 S HN 0.706 nan 8.310 nan 0.000 0.633 517 N N 2.521 121.255 118.700 0.058 0.000 2.699 517 N HA -0.285 4.454 4.740 -0.001 0.000 0.256 517 N C -0.544 175.088 175.510 0.204 0.000 0.993 517 N CA 1.375 54.509 53.050 0.140 0.000 0.759 517 N CB -1.689 36.922 38.487 0.207 0.000 0.906 517 N HN 0.747 nan 8.380 nan 0.000 0.541 518 K N -3.527 116.903 120.400 0.050 0.000 2.575 518 K HA 0.596 4.915 4.320 -0.001 0.000 0.279 518 K C -3.392 173.123 176.600 -0.141 0.000 0.969 518 K CA -2.147 54.145 56.287 0.008 0.000 0.868 518 K CB 2.165 34.758 32.500 0.154 0.000 1.457 518 K HN -0.148 nan 8.250 nan 0.000 0.426 519 P HA -0.010 nan 4.420 nan 0.000 0.268 519 P C 0.742 178.017 177.300 -0.042 0.000 1.205 519 P CA -0.432 62.597 63.100 -0.119 0.000 0.771 519 P CB 0.589 32.259 31.700 -0.049 0.000 0.858 520 C N 1.394 120.660 119.300 -0.058 0.000 2.791 520 C HA 0.427 4.886 4.460 -0.001 0.000 0.270 520 C C 0.735 175.710 174.990 -0.025 0.000 1.257 520 C CA -0.313 58.675 59.018 -0.050 0.000 1.699 520 C CB -1.331 26.340 27.740 -0.115 0.000 1.904 520 C HN 0.378 nan 8.230 nan 0.000 0.603 521 M N 1.172 120.779 119.600 0.012 0.000 2.602 521 M HA 0.712 5.191 4.480 -0.001 0.000 0.312 521 M C 0.257 176.684 176.300 0.211 0.000 1.181 521 M CA 0.384 55.704 55.300 0.033 0.000 0.910 521 M CB 2.287 34.815 32.600 -0.121 0.000 1.723 521 M HN 0.406 nan 8.290 nan 0.000 0.459 522 G N 1.084 110.028 108.800 0.239 0.000 2.619 522 G HA2 0.584 4.543 3.960 -0.001 0.000 0.305 522 G HA3 0.584 4.543 3.960 -0.001 0.000 0.305 522 G C -1.672 173.419 174.900 0.319 0.000 1.330 522 G CA -0.782 44.537 45.100 0.365 0.000 0.789 522 G HN 0.475 nan 8.290 nan 0.000 0.487 523 I N 1.383 122.090 120.570 0.228 0.000 2.496 523 I HA 0.455 4.624 4.170 -0.001 0.000 0.285 523 I C 0.714 176.893 176.117 0.102 0.000 1.080 523 I CA -0.621 60.775 61.300 0.160 0.000 1.404 523 I CB 0.178 38.230 38.000 0.088 0.000 1.403 523 I HN 0.511 nan 8.210 nan 0.000 0.539 524 V N 3.970 123.941 119.914 0.094 0.000 3.159 524 V HA 0.615 4.734 4.120 -0.001 0.000 0.308 524 V C -0.007 176.131 176.094 0.073 0.000 1.190 524 V CA -0.796 61.550 62.300 0.076 0.000 1.037 524 V CB 1.847 33.715 31.823 0.076 0.000 1.060 524 V HN 0.817 nan 8.190 nan 0.000 0.437 525 Q N 0.181 120.022 119.800 0.068 0.000 1.669 525 Q HA -0.312 4.027 4.340 -0.001 0.000 0.383 525 Q C 1.081 177.125 176.000 0.073 0.000 0.879 525 Q CA 2.221 58.072 55.803 0.079 0.000 0.787 525 Q CB -1.420 27.375 28.738 0.096 0.000 3.896 525 Q HN 1.090 nan 8.270 nan 0.000 0.687 526 D N 0.007 120.458 120.400 0.085 0.000 2.126 526 D HA -0.120 4.519 4.640 -0.001 0.000 0.190 526 D C 1.935 178.261 176.300 0.045 0.000 1.001 526 D CA 2.525 56.572 54.000 0.078 0.000 0.841 526 D CB -0.481 40.366 40.800 0.079 0.000 0.949 526 D HN 0.565 nan 8.370 nan 0.000 0.446 527 T N 0.539 115.122 114.554 0.048 0.000 2.788 527 T HA -0.140 4.209 4.350 -0.001 0.000 0.268 527 T C 1.837 176.544 174.700 0.011 0.000 1.044 527 T CA 0.585 62.706 62.100 0.035 0.000 1.139 527 T CB -0.314 68.584 68.868 0.049 0.000 0.867 527 T HN 0.027 nan 8.240 nan 0.000 0.454 528 L N 0.687 121.920 121.223 0.017 0.000 2.156 528 L HA 0.119 4.458 4.340 -0.001 0.000 0.208 528 L C 2.555 179.402 176.870 -0.039 0.000 1.095 528 L CA 1.087 55.926 54.840 -0.002 0.000 0.770 528 L CB -0.929 41.142 42.059 0.020 0.000 0.914 528 L HN 0.414 nan 8.230 nan 0.000 0.439 529 C N -0.749 118.521 119.300 -0.051 0.000 2.466 529 C HA 0.098 4.557 4.460 -0.001 0.000 0.278 529 C C 2.781 177.667 174.990 -0.173 0.000 1.288 529 C CA 0.643 59.577 59.018 -0.141 0.000 1.722 529 C CB -1.396 26.233 27.740 -0.185 0.000 2.017 529 C HN 0.649 nan 8.230 nan 0.000 0.488 530 G N 0.123 108.871 108.800 -0.086 0.000 2.394 530 G HA2 -0.130 3.829 3.960 -0.001 0.000 0.215 530 G HA3 -0.130 3.829 3.960 -0.001 0.000 0.215 530 G C 1.612 176.445 174.900 -0.112 0.000 1.165 530 G CA 0.856 45.950 45.100 -0.010 0.000 0.784 530 G HN 0.592 nan 8.290 nan 0.000 0.535 531 I N 0.197 120.701 120.570 -0.110 0.000 2.335 531 I HA -0.168 4.001 4.170 -0.001 0.000 0.251 531 I C 2.787 178.792 176.117 -0.187 0.000 1.129 531 I CA 1.176 62.379 61.300 -0.161 0.000 1.402 531 I CB -0.035 37.903 38.000 -0.104 0.000 1.069 531 I HN 0.160 nan 8.210 nan 0.000 0.424 532 R N 0.969 121.379 120.500 -0.151 0.000 2.062 532 R HA -0.179 4.160 4.340 -0.001 0.000 0.231 532 R C 2.268 178.457 176.300 -0.185 0.000 1.136 532 R CA 1.428 57.442 56.100 -0.144 0.000 0.948 532 R CB -0.150 30.086 30.300 -0.107 0.000 0.845 532 R HN 0.278 nan 8.270 nan 0.000 0.430 533 K N 0.502 120.790 120.400 -0.186 0.000 2.152 533 K HA -0.182 4.137 4.320 -0.001 0.000 0.206 533 K C 2.034 178.407 176.600 -0.377 0.000 1.048 533 K CA 1.246 57.445 56.287 -0.146 0.000 0.933 533 K CB -0.222 32.305 32.500 0.044 0.000 0.721 533 K HN 0.191 nan 8.250 nan 0.000 0.447 534 L N 0.398 121.213 121.223 -0.681 0.000 2.313 534 L HA -0.030 4.309 4.340 -0.001 0.000 0.214 534 L C 1.636 178.154 176.870 -0.587 0.000 1.119 534 L CA 1.661 55.843 54.840 -1.096 0.000 0.809 534 L CB 0.046 41.451 42.059 -1.090 0.000 0.933 534 L HN -0.082 nan 8.230 nan 0.000 0.449 535 T N -0.016 114.315 114.554 -0.371 0.000 3.069 535 T HA 0.297 4.646 4.350 -0.001 0.000 0.252 535 T C 0.689 175.267 174.700 -0.202 0.000 1.053 535 T CA -0.433 61.514 62.100 -0.256 0.000 0.964 535 T CB -0.182 68.569 68.868 -0.196 0.000 1.005 535 T HN 0.072 nan 8.240 nan 0.000 0.532 536 L N 1.713 122.819 121.223 -0.196 0.000 2.514 536 L HA 0.183 4.522 4.340 -0.001 0.000 0.280 536 L C 1.820 178.573 176.870 -0.195 0.000 1.223 536 L CA -0.137 54.615 54.840 -0.146 0.000 0.864 536 L CB 0.459 42.458 42.059 -0.100 0.000 1.118 536 L HN 0.023 nan 8.230 nan 0.000 0.494 537 R N 0.981 121.390 120.500 -0.152 0.000 2.241 537 R HA -0.143 4.196 4.340 -0.001 0.000 0.224 537 R C 0.852 176.972 176.300 -0.300 0.000 1.101 537 R CA 0.893 56.875 56.100 -0.197 0.000 0.995 537 R CB -0.080 30.175 30.300 -0.076 0.000 0.870 537 R HN 0.681 nan 8.270 nan 0.000 0.463 538 D N -0.036 120.255 120.400 -0.182 0.000 2.277 538 D HA -0.031 4.609 4.640 -0.001 0.000 0.208 538 D C 0.073 176.267 176.300 -0.177 0.000 0.962 538 D CA 0.835 54.780 54.000 -0.091 0.000 0.865 538 D CB 0.156 40.965 40.800 0.014 0.000 0.939 538 D HN 0.000 nan 8.370 nan 0.000 0.510 539 T N 1.158 115.548 114.554 -0.273 0.000 2.738 539 T HA 0.233 4.582 4.350 -0.001 0.000 0.293 539 T C -0.120 174.362 174.700 -0.363 0.000 0.913 539 T CA 0.121 62.119 62.100 -0.169 0.000 1.103 539 T CB -0.133 68.645 68.868 -0.149 0.000 0.880 539 T HN -0.147 nan 8.240 nan 0.000 0.526 540 F N 3.382 123.417 119.950 0.142 0.000 2.551 540 F HA 0.626 5.152 4.527 -0.001 0.000 0.316 540 F C 0.305 176.233 175.800 0.213 0.000 1.089 540 F CA -1.412 56.682 58.000 0.156 0.000 0.915 540 F CB 1.608 40.682 39.000 0.123 0.000 1.186 540 F HN 0.392 nan 8.300 nan 0.000 0.456 541 I N 0.124 120.966 120.570 0.454 0.000 2.608 541 I HA 0.610 4.779 4.170 -0.001 0.000 0.295 541 I C -1.071 175.275 176.117 0.382 0.000 1.049 541 I CA -0.814 60.706 61.300 0.366 0.000 1.063 541 I CB 2.159 40.355 38.000 0.325 0.000 1.248 541 I HN 0.673 nan 8.210 nan 0.000 0.424 542 E N 4.324 124.693 120.200 0.281 0.000 2.267 542 E HA 0.263 4.612 4.350 -0.001 0.000 0.258 542 E C 0.540 177.241 176.600 0.167 0.000 1.074 542 E CA -0.875 55.701 56.400 0.294 0.000 0.915 542 E CB 1.914 31.739 29.700 0.207 0.000 1.186 542 E HN 0.620 nan 8.360 nan 0.000 0.439 543 L N 1.706 123.046 121.223 0.195 0.000 1.978 543 L HA -0.307 4.032 4.340 -0.001 0.000 0.218 543 L C 2.013 178.827 176.870 -0.095 0.000 1.075 543 L CA 2.899 57.738 54.840 -0.001 0.000 0.767 543 L CB -0.951 41.182 42.059 0.123 0.000 0.890 543 L HN 0.888 nan 8.230 nan 0.000 0.434 544 D N -1.269 119.125 120.400 -0.010 0.000 2.160 544 D HA -0.339 4.300 4.640 -0.001 0.000 0.189 544 D C 1.865 178.146 176.300 -0.032 0.000 1.003 544 D CA 2.262 56.254 54.000 -0.013 0.000 0.846 544 D CB -0.778 40.034 40.800 0.020 0.000 0.949 544 D HN 0.639 nan 8.370 nan 0.000 0.446 545 Q N 0.245 120.041 119.800 -0.006 0.000 2.020 545 Q HA -0.095 4.244 4.340 -0.001 0.000 0.202 545 Q C 2.800 178.766 176.000 -0.057 0.000 0.982 545 Q CA 1.384 57.208 55.803 0.035 0.000 0.838 545 Q CB -0.110 28.683 28.738 0.093 0.000 0.899 545 Q HN 0.269 nan 8.270 nan 0.000 0.423 546 V N 1.650 121.460 119.914 -0.174 0.000 2.324 546 V HA -0.307 3.812 4.120 -0.001 0.000 0.250 546 V C 2.330 178.181 176.094 -0.406 0.000 1.060 546 V CA 1.715 63.786 62.300 -0.381 0.000 1.042 546 V CB -0.714 30.635 31.823 -0.790 0.000 0.650 546 V HN 0.347 nan 8.190 nan 0.000 0.450 547 L N -0.064 120.962 121.223 -0.328 0.000 2.017 547 L HA -0.158 4.182 4.340 -0.001 0.000 0.208 547 L C 2.482 179.206 176.870 -0.243 0.000 1.073 547 L CA 1.653 56.324 54.840 -0.282 0.000 0.745 547 L CB -0.870 41.087 42.059 -0.170 0.000 0.894 547 L HN 0.391 nan 8.230 nan 0.000 0.432 548 N N 0.003 118.596 118.700 -0.178 0.000 2.223 548 N HA -0.141 4.598 4.740 -0.001 0.000 0.185 548 N C 1.885 177.194 175.510 -0.335 0.000 1.016 548 N CA 1.369 54.302 53.050 -0.195 0.000 0.863 548 N CB -0.089 38.320 38.487 -0.130 0.000 0.983 548 N HN 0.414 nan 8.380 nan 0.000 0.429 549 M N 0.390 119.766 119.600 -0.372 0.000 2.123 549 M HA -0.056 4.423 4.480 -0.001 0.000 0.263 549 M C 2.226 178.341 176.300 -0.309 0.000 1.069 549 M CA 1.037 56.132 55.300 -0.342 0.000 1.133 549 M CB -0.533 31.941 32.600 -0.210 0.000 1.356 549 M HN 0.033 nan 8.290 nan 0.000 0.415 550 L N -0.655 120.264 121.223 -0.506 0.000 1.997 550 L HA -0.288 4.051 4.340 -0.001 0.000 0.216 550 L C 2.752 179.229 176.870 -0.654 0.000 1.074 550 L CA 1.658 55.946 54.840 -0.920 0.000 0.763 550 L CB -0.914 40.255 42.059 -1.483 0.000 0.890 550 L HN 0.259 nan 8.230 nan 0.000 0.434 551 Y N -0.930 119.035 120.300 -0.558 0.000 2.274 551 Y HA -0.265 4.284 4.550 -0.001 0.000 0.290 551 Y C 2.112 177.904 175.900 -0.180 0.000 1.145 551 Y CA 0.828 58.777 58.100 -0.253 0.000 1.203 551 Y CB -0.704 37.621 38.460 -0.225 0.000 0.984 551 Y HN 0.125 nan 8.280 nan 0.000 0.533 552 W N -0.015 121.076 121.300 -0.348 0.000 2.374 552 W HA -0.075 4.584 4.660 -0.002 0.000 0.288 552 W C 0.632 177.027 176.519 -0.208 0.000 1.218 552 W CA 0.969 58.104 57.345 -0.350 0.000 1.245 552 W CB -0.236 28.993 29.460 -0.386 0.000 1.126 552 W HN -0.346 nan 8.180 nan 0.000 0.545 553 V N 2.807 122.777 119.914 0.093 0.000 2.439 553 V HA -0.033 4.086 4.120 -0.001 0.000 0.271 553 V C -1.384 174.800 176.094 0.150 0.000 1.040 553 V CA -0.690 61.678 62.300 0.113 0.000 1.002 553 V CB 0.773 32.649 31.823 0.087 0.000 1.000 553 V HN -0.107 nan 8.190 nan 0.000 0.477 554 P HA 0.044 nan 4.420 nan 0.000 0.241 554 P C 0.595 177.965 177.300 0.116 0.000 1.191 554 P CA 0.596 63.750 63.100 0.091 0.000 0.771 554 P CB 0.291 32.028 31.700 0.062 0.000 0.929 555 D N -2.470 118.014 120.400 0.141 0.000 2.369 555 D HA 0.013 4.652 4.640 -0.001 0.000 0.211 555 D C 0.004 176.402 176.300 0.164 0.000 1.077 555 D CA -0.168 53.903 54.000 0.118 0.000 0.842 555 D CB 0.026 40.880 40.800 0.090 0.000 0.947 555 D HN 0.169 nan 8.370 nan 0.000 0.509 556 W N 3.763 125.079 121.300 0.027 0.000 2.253 556 W HA 0.046 4.705 4.660 -0.002 0.000 0.322 556 W C 0.858 177.393 176.519 0.026 0.000 1.342 556 W CA -0.762 56.600 57.345 0.028 0.000 1.218 556 W CB 0.715 30.200 29.460 0.042 0.000 1.205 556 W HN -0.119 nan 8.180 nan 0.000 0.551 557 D N 3.375 123.468 120.400 -0.511 0.000 2.328 557 D HA 0.088 4.727 4.640 -0.001 0.000 0.226 557 D C 1.363 177.144 176.300 -0.864 0.000 1.066 557 D CA 0.417 54.109 54.000 -0.513 0.000 0.861 557 D CB -0.494 40.158 40.800 -0.247 0.000 0.912 557 D HN 0.805 nan 8.370 nan 0.000 0.521 558 G N -0.346 107.288 108.800 -1.942 0.000 2.212 558 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.255 558 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.255 558 G C -0.216 174.183 174.900 -0.835 0.000 1.062 558 G CA 0.144 44.173 45.100 -1.784 0.000 0.815 558 G HN 0.408 nan 8.290 nan 0.000 0.497 559 V N 2.390 122.023 119.914 -0.469 0.000 2.398 559 V HA 0.347 4.466 4.120 -0.001 0.000 0.282 559 V C 0.613 176.972 176.094 0.442 0.000 1.014 559 V CA -1.322 61.014 62.300 0.059 0.000 0.838 559 V CB 1.420 33.253 31.823 0.016 0.000 1.018 559 V HN 0.346 nan 8.190 nan 0.000 0.432 560 I N 6.914 127.734 120.570 0.416 0.000 2.662 560 I HA 0.155 4.324 4.170 -0.001 0.000 0.285 560 I C -1.431 174.878 176.117 0.321 0.000 1.161 560 I CA -1.031 60.481 61.300 0.353 0.000 1.415 560 I CB 0.038 38.201 38.000 0.272 0.000 1.385 560 I HN 0.394 nan 8.210 nan 0.000 0.552 561 P HA 0.169 nan 4.420 nan 0.000 0.276 561 P C -0.329 177.223 177.300 0.421 0.000 1.244 561 P CA -0.365 62.927 63.100 0.320 0.000 0.801 561 P CB 0.484 32.358 31.700 0.290 0.000 1.006 562 T N 3.562 118.251 114.554 0.224 0.000 2.870 562 T HA 0.209 4.558 4.350 -0.001 0.000 0.300 562 T C -1.946 172.696 174.700 -0.096 0.000 0.989 562 T CA -0.650 61.502 62.100 0.087 0.000 1.139 562 T CB -0.343 68.541 68.868 0.027 0.000 0.920 562 T HN 0.407 nan 8.240 nan 0.000 0.537 563 P HA 0.228 nan 4.420 nan 0.000 0.275 563 P C 0.471 177.456 177.300 -0.525 0.000 1.227 563 P CA -0.349 62.036 63.100 -1.191 0.000 0.781 563 P CB 0.858 31.531 31.700 -1.712 0.000 0.906 564 A N 4.703 127.315 122.820 -0.347 0.000 1.940 564 A HA -0.089 4.230 4.320 -0.001 0.000 0.219 564 A C 1.278 178.762 177.584 -0.166 0.000 1.176 564 A CA 1.180 53.136 52.037 -0.135 0.000 0.631 564 A CB -0.747 18.269 19.000 0.027 0.000 0.814 564 A HN 0.591 nan 8.150 nan 0.000 0.446 565 I N -0.198 120.218 120.570 -0.257 0.000 2.354 565 I HA 0.306 4.475 4.170 -0.001 0.000 0.292 565 I C 0.151 176.095 176.117 -0.288 0.000 0.989 565 I CA -0.203 60.948 61.300 -0.248 0.000 1.188 565 I CB 1.722 39.544 38.000 -0.297 0.000 1.342 565 I HN 0.207 nan 8.210 nan 0.000 0.457 566 I N 4.655 125.102 120.570 -0.205 0.000 4.327 566 I HA 0.069 4.238 4.170 -0.001 0.000 0.331 566 I C 1.261 177.307 176.117 -0.119 0.000 1.348 566 I CA -0.338 60.857 61.300 -0.176 0.000 1.152 566 I CB -0.236 37.680 38.000 -0.141 0.000 1.151 566 I HN 0.533 nan 8.210 nan 0.000 0.410 567 K N 3.471 123.805 120.400 -0.111 0.000 2.476 567 K HA 0.116 4.435 4.320 -0.001 0.000 0.263 567 K C -1.800 174.751 176.600 -0.081 0.000 1.086 567 K CA -0.757 55.480 56.287 -0.084 0.000 0.880 567 K CB -1.316 31.135 32.500 -0.082 0.000 1.128 567 K HN -0.174 nan 8.250 nan 0.000 0.497 568 P HA -0.087 nan 4.420 nan 0.000 0.212 568 P C -0.970 176.298 177.300 -0.053 0.000 1.069 568 P CA 0.981 64.052 63.100 -0.049 0.000 1.331 568 P CB -0.471 31.204 31.700 -0.043 0.000 1.513 569 K N 1.863 122.235 120.400 -0.047 0.000 2.623 569 K HA -0.030 4.289 4.320 -0.001 0.000 1.023 569 K C -2.728 173.827 176.600 -0.074 0.000 1.051 569 K CA -0.498 55.768 56.287 -0.036 0.000 1.015 569 K CB -0.416 32.069 32.500 -0.026 0.000 3.339 569 K HN 0.188 nan 8.250 nan 0.000 0.132 570 P HA -0.008 nan 4.420 nan 0.000 0.257 570 P C -0.782 176.451 177.300 -0.111 0.000 1.189 570 P CA 0.089 63.078 63.100 -0.185 0.000 0.780 570 P CB 0.397 32.043 31.700 -0.089 0.000 0.772 571 L N 4.816 125.893 121.223 -0.242 0.000 2.370 571 L HA 0.557 4.896 4.340 -0.001 0.000 0.266 571 L C -0.338 176.511 176.870 -0.034 0.000 1.002 571 L CA -0.550 54.309 54.840 0.031 0.000 0.818 571 L CB 1.546 43.541 42.059 -0.107 0.000 1.325 571 L HN 0.407 nan 8.230 nan 0.000 0.418 572 W N 1.142 122.544 121.300 0.170 0.000 2.639 572 W HA 0.543 5.202 4.660 -0.001 0.000 0.347 572 W C 0.250 176.950 176.519 0.303 0.000 1.067 572 W CA -0.726 56.732 57.345 0.188 0.000 1.218 572 W CB 2.260 31.784 29.460 0.106 0.000 1.393 572 W HN 0.556 nan 8.180 nan 0.000 0.557 573 S N 0.106 116.055 115.700 0.415 0.000 2.617 573 S HA 0.361 4.830 4.470 -0.001 0.000 0.269 573 S C 1.059 175.680 174.600 0.035 0.000 1.292 573 S CA 0.165 58.443 58.200 0.130 0.000 1.010 573 S CB 1.583 64.798 63.200 0.024 0.000 0.944 573 S HN 0.624 nan 8.310 nan 0.000 0.536 574 G N 1.465 110.183 108.800 -0.136 0.000 2.418 574 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.217 574 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.217 574 G C 1.289 176.097 174.900 -0.153 0.000 1.158 574 G CA 0.553 45.533 45.100 -0.199 0.000 0.771 574 G HN 0.810 nan 8.290 nan 0.000 0.545 575 K N -0.005 120.316 120.400 -0.132 0.000 2.113 575 K HA -0.177 4.142 4.320 -0.001 0.000 0.208 575 K C 2.516 179.092 176.600 -0.039 0.000 1.047 575 K CA 1.414 57.645 56.287 -0.093 0.000 0.928 575 K CB -0.194 32.261 32.500 -0.075 0.000 0.716 575 K HN 0.376 nan 8.250 nan 0.000 0.446 576 Q N 0.821 120.632 119.800 0.020 0.000 2.020 576 Q HA -0.156 4.183 4.340 -0.001 0.000 0.202 576 Q C 2.204 178.241 176.000 0.062 0.000 0.982 576 Q CA 1.758 57.613 55.803 0.087 0.000 0.838 576 Q CB -0.079 28.788 28.738 0.215 0.000 0.899 576 Q HN 0.514 nan 8.270 nan 0.000 0.423 577 I N -2.268 118.318 120.570 0.028 0.000 2.716 577 I HA -0.053 4.116 4.170 -0.001 0.000 0.259 577 I C 2.029 178.108 176.117 -0.064 0.000 1.172 577 I CA 0.378 61.655 61.300 -0.038 0.000 1.478 577 I CB -0.240 37.700 38.000 -0.102 0.000 1.104 577 I HN 0.119 nan 8.210 nan 0.000 0.439 578 L N 1.311 122.488 121.223 -0.076 0.000 2.083 578 L HA -0.116 4.223 4.340 -0.001 0.000 0.209 578 L C 2.404 179.237 176.870 -0.062 0.000 1.083 578 L CA 1.806 56.593 54.840 -0.087 0.000 0.752 578 L CB -0.745 41.243 42.059 -0.119 0.000 0.899 578 L HN 0.259 nan 8.230 nan 0.000 0.433 579 S N -1.116 114.556 115.700 -0.045 0.000 2.419 579 S HA -0.129 4.340 4.470 -0.001 0.000 0.233 579 S C 1.918 176.512 174.600 -0.011 0.000 1.016 579 S CA 1.203 59.383 58.200 -0.032 0.000 0.974 579 S CB -0.440 62.750 63.200 -0.018 0.000 0.786 579 S HN 0.385 nan 8.310 nan 0.000 0.492 580 V N 1.632 121.545 119.914 -0.001 0.000 2.688 580 V HA -0.176 3.943 4.120 -0.001 0.000 0.256 580 V C 2.407 178.519 176.094 0.032 0.000 1.084 580 V CA 1.593 63.912 62.300 0.031 0.000 1.103 580 V CB -1.103 30.713 31.823 -0.012 0.000 0.688 580 V HN 0.562 nan 8.190 nan 0.000 0.480 581 A N -0.707 122.109 122.820 -0.006 0.000 2.081 581 A HA 0.252 4.571 4.320 -0.001 0.000 0.214 581 A C 1.104 178.677 177.584 -0.018 0.000 1.158 581 A CA 0.247 52.280 52.037 -0.006 0.000 0.724 581 A CB -0.160 18.824 19.000 -0.027 0.000 0.826 581 A HN 0.489 nan 8.150 nan 0.000 0.463 582 I N 2.316 122.867 120.570 -0.031 0.000 2.342 582 I HA 0.213 4.382 4.170 -0.001 0.000 0.291 582 I C -1.944 174.151 176.117 -0.036 0.000 1.010 582 I CA -2.212 59.058 61.300 -0.049 0.000 1.308 582 I CB 1.322 39.282 38.000 -0.066 0.000 1.400 582 I HN 0.126 nan 8.210 nan 0.000 0.488 583 P HA 0.087 nan 4.420 nan 0.000 0.282 583 P C -0.924 176.346 177.300 -0.049 0.000 1.286 583 P CA -0.360 62.722 63.100 -0.030 0.000 0.777 583 P CB 0.470 32.154 31.700 -0.026 0.000 1.184 584 N N -1.651 117.024 118.700 -0.041 0.000 2.515 584 N HA 0.381 5.120 4.740 -0.001 0.000 0.279 584 N C 0.702 176.162 175.510 -0.084 0.000 1.164 584 N CA 0.054 53.068 53.050 -0.059 0.000 0.982 584 N CB 0.235 38.702 38.487 -0.033 0.000 1.170 584 N HN 0.730 nan 8.380 nan 0.000 0.474 585 G N 0.900 109.617 108.800 -0.138 0.000 2.147 585 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.244 585 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.244 585 G C -0.309 174.393 174.900 -0.330 0.000 1.005 585 G CA -0.334 44.665 45.100 -0.168 0.000 0.713 585 G HN 0.403 nan 8.290 nan 0.000 0.515 586 I N 2.270 122.589 120.570 -0.418 0.000 2.328 586 I HA 0.374 4.543 4.170 -0.001 0.000 0.287 586 I C 0.172 176.030 176.117 -0.432 0.000 1.012 586 I CA -0.928 60.188 61.300 -0.306 0.000 1.195 586 I CB 0.592 38.497 38.000 -0.159 0.000 1.350 586 I HN 0.139 nan 8.210 nan 0.000 0.464 587 H N 6.930 125.993 119.070 -0.012 0.000 2.469 587 H HA 0.674 5.229 4.556 -0.001 0.000 0.342 587 H C -0.783 174.521 175.328 -0.039 0.000 1.115 587 H CA -0.769 55.264 56.048 -0.025 0.000 1.204 587 H CB 3.248 33.008 29.762 -0.003 0.000 1.492 587 H HN 0.445 nan 8.280 nan 0.000 0.499 588 L N 1.908 123.151 121.223 0.035 0.000 2.549 588 L HA 0.282 4.621 4.340 -0.001 0.000 0.259 588 L C -1.480 175.339 176.870 -0.085 0.000 0.934 588 L CA -0.342 54.484 54.840 -0.023 0.000 0.865 588 L CB 2.802 44.831 42.059 -0.050 0.000 1.352 588 L HN 0.595 nan 8.230 nan 0.000 0.410 589 Q N 4.281 124.035 119.800 -0.077 0.000 2.331 589 Q HA 0.522 4.861 4.340 -0.001 0.000 0.272 589 Q C -1.084 174.846 176.000 -0.118 0.000 1.062 589 Q CA -0.548 55.175 55.803 -0.133 0.000 0.806 589 Q CB 2.543 31.266 28.738 -0.026 0.000 1.312 589 Q HN 0.789 nan 8.270 nan 0.000 0.431 590 R N 1.951 122.300 120.500 -0.251 0.000 2.420 590 R HA 0.425 4.764 4.340 -0.001 0.000 0.126 590 R C -0.805 175.482 176.300 -0.021 0.000 1.871 590 R CA 0.066 56.102 56.100 -0.107 0.000 1.558 590 R CB 0.709 30.959 30.300 -0.083 0.000 1.338 590 R HN 0.756 nan 8.270 nan 0.000 0.471 591 F N 1.385 121.396 119.950 0.102 0.000 2.155 591 F HA -0.203 4.323 4.527 -0.001 0.000 0.516 591 F C 0.042 175.864 175.800 0.036 0.000 1.283 591 F CA -0.069 57.975 58.000 0.073 0.000 1.655 591 F CB -0.574 38.460 39.000 0.056 0.000 2.647 591 F HN 0.359 nan 8.300 nan 0.000 0.724 592 D N 1.434 121.943 120.400 0.182 0.000 3.161 592 D HA 0.156 4.795 4.640 -0.001 0.000 0.224 592 D C 1.415 177.766 176.300 0.085 0.000 1.180 592 D CA 0.090 54.149 54.000 0.100 0.000 1.207 592 D CB -0.081 40.753 40.800 0.056 0.000 1.008 592 D HN 0.509 nan 8.370 nan 0.000 0.316 593 E N 0.644 120.874 120.200 0.049 0.000 2.408 593 E HA 0.090 4.439 4.350 -0.001 0.000 0.289 593 E C 1.097 177.715 176.600 0.029 0.000 0.770 593 E CA 0.818 57.234 56.400 0.028 0.000 1.717 593 E CB -0.866 28.840 29.700 0.010 0.000 1.271 593 E HN 0.312 nan 8.360 nan 0.000 0.567 594 G N 0.757 109.565 108.800 0.013 0.000 3.353 594 G HA2 0.128 4.087 3.960 -0.001 0.000 0.247 594 G HA3 0.128 4.087 3.960 -0.001 0.000 0.247 594 G C -0.676 174.230 174.900 0.009 0.000 1.025 594 G CA 0.148 45.250 45.100 0.004 0.000 1.863 594 G HN 0.174 nan 8.290 nan 0.000 0.635 595 T N 0.916 115.505 114.554 0.060 0.000 2.728 595 T HA 0.414 4.763 4.350 -0.001 0.000 0.296 595 T C 0.621 175.408 174.700 0.146 0.000 0.940 595 T CA -0.325 61.844 62.100 0.115 0.000 1.013 595 T CB 1.145 70.194 68.868 0.301 0.000 0.912 595 T HN 0.283 nan 8.240 nan 0.000 0.484 596 T N 1.052 115.622 114.554 0.028 0.000 3.585 596 T HA 0.366 4.715 4.350 -0.001 0.000 0.252 596 T C 0.953 175.654 174.700 0.003 0.000 1.382 596 T CA -0.762 61.352 62.100 0.023 0.000 1.584 596 T CB -0.732 68.121 68.868 -0.025 0.000 0.892 596 T HN 0.537 nan 8.240 nan 0.000 0.671 597 L N -0.441 120.847 121.223 0.109 0.000 4.708 597 L HA -0.206 4.133 4.340 -0.001 0.000 0.447 597 L C 1.111 177.914 176.870 -0.112 0.000 1.091 597 L CA 0.910 55.813 54.840 0.105 0.000 0.937 597 L CB -0.802 41.387 42.059 0.217 0.000 1.771 597 L HN 0.522 nan 8.230 nan 0.000 1.002 598 L N -0.690 120.394 121.223 -0.232 0.000 3.298 598 L HA 0.239 4.578 4.340 -0.001 0.000 0.296 598 L C 0.927 177.625 176.870 -0.285 0.000 1.237 598 L CA 0.462 55.181 54.840 -0.202 0.000 1.038 598 L CB 0.483 42.493 42.059 -0.081 0.000 1.423 598 L HN 0.239 nan 8.230 nan 0.000 0.605 599 S N 2.519 117.932 115.700 -0.478 0.000 3.375 599 S HA -0.104 4.365 4.470 -0.001 0.000 0.235 599 S C -1.556 172.932 174.600 -0.187 0.000 0.683 599 S CA 0.057 58.027 58.200 -0.383 0.000 1.383 599 S CB -0.567 62.300 63.200 -0.555 0.000 1.014 599 S HN 0.410 nan 8.310 nan 0.000 0.393 600 P HA 0.049 nan 4.420 nan 0.000 0.258 600 P C 0.298 177.567 177.300 -0.052 0.000 1.319 600 P CA 0.535 63.593 63.100 -0.071 0.000 0.785 600 P CB 0.098 31.767 31.700 -0.052 0.000 1.252 601 K N -0.790 119.573 120.400 -0.060 0.000 2.553 601 K HA 0.071 4.390 4.320 -0.001 0.000 0.205 601 K C -0.166 176.412 176.600 -0.037 0.000 1.168 601 K CA -0.232 56.032 56.287 -0.038 0.000 1.043 601 K CB 0.289 32.772 32.500 -0.029 0.000 0.967 601 K HN -0.199 nan 8.250 nan 0.000 0.585 602 D N 2.538 122.905 120.400 -0.055 0.000 2.708 602 D HA -0.160 4.479 4.640 -0.001 0.000 0.236 602 D C -0.545 175.751 176.300 -0.007 0.000 1.146 602 D CA 0.856 54.836 54.000 -0.032 0.000 0.662 602 D CB -0.777 40.012 40.800 -0.018 0.000 1.059 602 D HN 0.504 nan 8.370 nan 0.000 0.428 603 N N -0.380 118.308 118.700 -0.020 0.000 2.813 603 N HA 0.689 5.428 4.740 -0.001 0.000 0.320 603 N C 1.019 176.556 175.510 0.045 0.000 1.315 603 N CA 0.210 53.267 53.050 0.012 0.000 0.871 603 N CB 0.379 38.868 38.487 0.003 0.000 1.241 603 N HN 0.476 nan 8.380 nan 0.000 0.602 604 G N -1.140 107.692 108.800 0.053 0.000 2.752 604 G HA2 0.036 3.995 3.960 -0.001 0.000 0.234 604 G HA3 0.036 3.995 3.960 -0.001 0.000 0.234 604 G C -0.927 174.022 174.900 0.081 0.000 1.367 604 G CA 0.366 45.504 45.100 0.064 0.000 0.879 604 G HN 0.964 nan 8.290 nan 0.000 0.563 605 M N -0.937 118.658 119.600 -0.009 0.000 2.284 605 M HA 0.737 5.216 4.480 -0.001 0.000 0.281 605 M C -1.771 174.302 176.300 -0.379 0.000 1.083 605 M CA -0.745 54.478 55.300 -0.130 0.000 0.965 605 M CB 1.853 34.383 32.600 -0.115 0.000 1.717 605 M HN 1.412 nan 8.290 nan 0.000 0.479 606 L N 6.469 127.277 121.223 -0.691 0.000 2.406 606 L HA 0.758 5.097 4.340 -0.001 0.000 0.272 606 L C -2.006 174.583 176.870 -0.467 0.000 0.980 606 L CA -0.226 54.186 54.840 -0.714 0.000 0.831 606 L CB 1.610 42.914 42.059 -1.257 0.000 1.253 606 L HN 0.808 nan 8.230 nan 0.000 0.406 607 I N 6.494 126.905 120.570 -0.266 0.000 2.411 607 I HA 0.434 4.603 4.170 -0.001 0.000 0.284 607 I C -0.718 175.339 176.117 -0.101 0.000 1.012 607 I CA -0.158 61.036 61.300 -0.175 0.000 1.119 607 I CB 1.536 39.452 38.000 -0.140 0.000 1.261 607 I HN 0.480 nan 8.210 nan 0.000 0.448 608 I N 6.080 126.603 120.570 -0.078 0.000 2.390 608 I HA 0.313 4.482 4.170 -0.001 0.000 0.283 608 I C -0.119 175.991 176.117 -0.012 0.000 1.016 608 I CA -0.415 60.901 61.300 0.026 0.000 1.151 608 I CB 0.972 38.987 38.000 0.026 0.000 1.293 608 I HN 0.587 nan 8.210 nan 0.000 0.458 609 D N 4.346 124.674 120.400 -0.119 0.000 9.405 609 D HA -0.198 4.441 4.640 -0.001 0.000 0.351 609 D C 1.369 177.580 176.300 -0.149 0.000 2.893 609 D CA 1.450 55.310 54.000 -0.233 0.000 2.102 609 D CB 0.346 41.110 40.800 -0.061 0.000 1.141 609 D HN 0.871 nan 8.370 nan 0.000 1.146 610 G N 0.460 109.186 108.800 -0.122 0.000 2.963 610 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.205 610 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.205 610 G C 0.283 175.147 174.900 -0.060 0.000 1.167 610 G CA 1.099 46.150 45.100 -0.082 0.000 0.785 610 G HN 0.306 nan 8.290 nan 0.000 0.566 611 Q N -0.487 119.273 119.800 -0.066 0.000 2.356 611 Q HA 0.422 4.761 4.340 -0.001 0.000 0.270 611 Q C -0.094 175.860 176.000 -0.077 0.000 1.058 611 Q CA -0.893 54.881 55.803 -0.050 0.000 0.802 611 Q CB 2.352 31.074 28.738 -0.027 0.000 1.303 611 Q HN 0.408 nan 8.270 nan 0.000 0.444 612 I N 1.329 121.852 120.570 -0.078 0.000 2.325 612 I HA 0.236 4.405 4.170 -0.001 0.000 0.291 612 I C 0.143 176.190 176.117 -0.117 0.000 1.019 612 I CA -0.410 60.820 61.300 -0.115 0.000 1.302 612 I CB 0.563 38.498 38.000 -0.109 0.000 1.401 612 I HN 0.479 nan 8.210 nan 0.000 0.485 613 I N 6.554 127.004 120.570 -0.201 0.000 2.429 613 I HA 0.123 4.293 4.170 -0.001 0.000 0.247 613 I C 0.502 176.569 176.117 -0.083 0.000 1.099 613 I CA 1.178 62.369 61.300 -0.181 0.000 1.422 613 I CB -0.983 36.846 38.000 -0.285 0.000 1.112 613 I HN 0.704 nan 8.210 nan 0.000 0.430 614 F N -0.326 119.588 119.950 -0.060 0.000 2.693 614 F HA 0.738 5.264 4.527 -0.002 0.000 0.309 614 F C -0.325 175.425 175.800 -0.083 0.000 1.129 614 F CA -1.426 56.535 58.000 -0.064 0.000 0.948 614 F CB 0.831 39.800 39.000 -0.052 0.000 1.315 614 F HN 0.126 nan 8.300 nan 0.000 0.447 615 G N 0.788 109.744 108.800 0.260 0.000 2.906 615 G HA2 0.286 4.245 3.960 -0.001 0.000 0.686 615 G HA3 0.286 4.245 3.960 -0.001 0.000 0.686 615 G C -1.595 173.323 174.900 0.030 0.000 1.170 615 G CA -0.700 44.499 45.100 0.164 0.000 0.775 615 G HN 1.151 nan 8.290 nan 0.000 0.630 616 V N 1.854 121.769 119.914 0.000 0.000 2.655 616 V HA 0.293 4.412 4.120 -0.001 0.000 0.300 616 V C 1.272 177.336 176.094 -0.050 0.000 1.044 616 V CA -0.346 61.928 62.300 -0.042 0.000 1.095 616 V CB 1.497 33.294 31.823 -0.043 0.000 0.952 616 V HN 0.851 nan 8.190 nan 0.000 0.485 617 V N 6.186 126.054 119.914 -0.076 0.000 2.405 617 V HA 0.332 4.451 4.120 -0.001 0.000 0.264 617 V C 0.265 176.319 176.094 -0.067 0.000 1.048 617 V CA -0.104 62.151 62.300 -0.075 0.000 0.966 617 V CB 0.450 32.217 31.823 -0.093 0.000 1.015 617 V HN 1.155 nan 8.190 nan 0.000 0.477 618 E N 3.804 123.977 120.200 -0.046 0.000 2.580 618 E HA 0.401 4.751 4.350 -0.001 0.000 0.178 618 E C 1.123 177.712 176.600 -0.019 0.000 0.738 618 E CA -0.732 55.647 56.400 -0.035 0.000 0.967 618 E CB 0.366 30.048 29.700 -0.030 0.000 1.942 618 E HN 0.076 nan 8.360 nan 0.000 0.376 619 K N 0.395 120.791 120.400 -0.005 0.000 2.020 619 K HA -0.201 4.119 4.320 -0.001 0.000 0.212 619 K C 1.638 178.245 176.600 0.011 0.000 1.050 619 K CA 2.165 58.457 56.287 0.009 0.000 0.929 619 K CB -0.218 32.292 32.500 0.018 0.000 0.714 619 K HN 0.362 nan 8.250 nan 0.000 0.443 620 K N -0.464 119.941 120.400 0.008 0.000 2.280 620 K HA -0.084 4.235 4.320 -0.001 0.000 0.202 620 K C 1.867 178.468 176.600 0.003 0.000 1.047 620 K CA 1.623 57.917 56.287 0.011 0.000 0.942 620 K CB 0.013 32.519 32.500 0.009 0.000 0.739 620 K HN 0.266 nan 8.250 nan 0.000 0.457 621 T N -0.204 114.343 114.554 -0.010 0.000 2.939 621 T HA -0.003 4.346 4.350 -0.001 0.000 0.254 621 T C 1.554 176.237 174.700 -0.027 0.000 1.041 621 T CA 0.635 62.719 62.100 -0.026 0.000 1.142 621 T CB 0.373 69.216 68.868 -0.043 0.000 0.874 621 T HN 0.028 nan 8.240 nan 0.000 0.452 622 V N 0.824 120.725 119.914 -0.022 0.000 3.329 622 V HA 0.485 4.604 4.120 -0.001 0.000 0.317 622 V C 0.921 177.017 176.094 0.003 0.000 1.495 622 V CA 0.022 62.302 62.300 -0.033 0.000 1.105 622 V CB 0.090 31.882 31.823 -0.053 0.000 0.985 622 V HN 0.478 nan 8.190 nan 0.000 0.475 623 G N 0.676 109.489 108.800 0.022 0.000 2.504 623 G HA2 0.247 4.206 3.960 -0.001 0.000 0.257 623 G HA3 0.247 4.206 3.960 -0.001 0.000 0.257 623 G C 0.759 175.699 174.900 0.067 0.000 1.451 623 G CA 0.532 45.661 45.100 0.049 0.000 1.059 623 G HN 0.690 nan 8.290 nan 0.000 0.550 624 S N -0.494 115.250 115.700 0.073 0.000 2.602 624 S HA 0.303 4.772 4.470 -0.001 0.000 0.246 624 S C 0.904 175.550 174.600 0.078 0.000 1.009 624 S CA 0.107 58.353 58.200 0.077 0.000 1.052 624 S CB -0.587 62.654 63.200 0.068 0.000 0.778 624 S HN 0.815 nan 8.310 nan 0.000 0.455 625 S N 1.348 117.093 115.700 0.076 0.000 2.596 625 S HA 0.213 4.682 4.470 -0.001 0.000 0.260 625 S C 1.150 175.826 174.600 0.126 0.000 1.336 625 S CA -0.584 57.666 58.200 0.084 0.000 0.993 625 S CB 0.426 63.661 63.200 0.058 0.000 0.923 625 S HN 0.368 nan 8.310 nan 0.000 0.567 626 N N 1.455 120.231 118.700 0.127 0.000 2.028 626 N HA -0.084 4.655 4.740 -0.001 0.000 0.194 626 N C 1.316 176.876 175.510 0.083 0.000 1.050 626 N CA 1.631 54.780 53.050 0.165 0.000 0.848 626 N CB -0.872 37.677 38.487 0.103 0.000 1.038 626 N HN 0.855 nan 8.380 nan 0.000 0.423 627 G N 0.129 108.935 108.800 0.010 0.000 3.678 627 G HA2 0.423 4.382 3.960 -0.001 0.000 0.287 627 G HA3 0.423 4.382 3.960 -0.001 0.000 0.287 627 G C 0.313 175.209 174.900 -0.006 0.000 1.280 627 G CA -0.106 44.963 45.100 -0.051 0.000 1.118 627 G HN 0.415 nan 8.290 nan 0.000 0.563 628 G N -0.762 108.068 108.800 0.050 0.000 2.535 628 G HA2 0.355 4.314 3.960 -0.001 0.000 0.303 628 G HA3 0.355 4.314 3.960 -0.001 0.000 0.303 628 G C 0.909 175.826 174.900 0.028 0.000 1.237 628 G CA -0.696 44.426 45.100 0.037 0.000 0.986 628 G HN 0.124 nan 8.290 nan 0.000 0.494 629 L N -0.465 120.750 121.223 -0.013 0.000 2.093 629 L HA -0.038 4.301 4.340 -0.001 0.000 0.208 629 L C 2.698 179.537 176.870 -0.051 0.000 1.085 629 L CA 1.421 56.234 54.840 -0.046 0.000 0.755 629 L CB -0.379 41.630 42.059 -0.083 0.000 0.904 629 L HN 0.499 nan 8.230 nan 0.000 0.435 630 I N -0.794 119.743 120.570 -0.055 0.000 2.163 630 I HA -0.297 3.872 4.170 -0.001 0.000 0.240 630 I C 2.628 178.757 176.117 0.021 0.000 1.081 630 I CA 0.992 62.242 61.300 -0.084 0.000 1.353 630 I CB -0.749 37.195 38.000 -0.094 0.000 1.054 630 I HN 0.273 nan 8.210 nan 0.000 0.407 631 H N 0.688 119.745 119.070 -0.022 0.000 2.357 631 H HA -0.157 4.398 4.556 -0.001 0.000 0.296 631 H C 2.286 177.610 175.328 -0.006 0.000 1.108 631 H CA 2.044 58.090 56.048 -0.004 0.000 1.273 631 H CB -0.168 29.601 29.762 0.011 0.000 1.367 631 H HN 0.127 nan 8.280 nan 0.000 0.498 632 V N -0.173 119.834 119.914 0.154 0.000 2.307 632 V HA -0.194 3.925 4.120 -0.001 0.000 0.245 632 V C 2.929 179.058 176.094 0.058 0.000 1.045 632 V CA 1.418 63.767 62.300 0.082 0.000 1.024 632 V CB -0.614 31.227 31.823 0.030 0.000 0.651 632 V HN 0.214 nan 8.190 nan 0.000 0.449 633 V N 0.071 119.995 119.914 0.016 0.000 2.358 633 V HA -0.253 3.866 4.120 -0.001 0.000 0.246 633 V C 2.583 178.682 176.094 0.007 0.000 1.047 633 V CA 2.537 64.831 62.300 -0.010 0.000 1.035 633 V CB -1.040 30.747 31.823 -0.059 0.000 0.658 633 V HN 0.642 nan 8.190 nan 0.000 0.452 634 T N -0.390 114.172 114.554 0.013 0.000 2.684 634 T HA -0.211 4.139 4.350 -0.001 0.000 0.267 634 T C 2.130 176.851 174.700 0.036 0.000 1.036 634 T CA 1.290 63.398 62.100 0.014 0.000 1.148 634 T CB -0.251 68.611 68.868 -0.010 0.000 0.863 634 T HN 0.245 nan 8.240 nan 0.000 0.436 635 R N 0.475 121.019 120.500 0.074 0.000 2.090 635 R HA 0.064 4.403 4.340 -0.001 0.000 0.228 635 R C 2.394 178.741 176.300 0.079 0.000 1.110 635 R CA 1.082 57.238 56.100 0.094 0.000 0.973 635 R CB -0.245 30.148 30.300 0.154 0.000 0.869 635 R HN 0.360 nan 8.270 nan 0.000 0.440 636 E N 0.278 120.519 120.200 0.068 0.000 2.102 636 E HA -0.008 4.341 4.350 -0.001 0.000 0.190 636 E C 1.268 177.901 176.600 0.055 0.000 0.971 636 E CA 1.120 57.560 56.400 0.067 0.000 0.821 636 E CB 0.361 30.100 29.700 0.065 0.000 0.777 636 E HN 0.036 nan 8.360 nan 0.000 0.460 637 K N -1.072 119.351 120.400 0.038 0.000 2.391 637 K HA 0.349 4.668 4.320 -0.001 0.000 0.197 637 K C 0.282 176.898 176.600 0.027 0.000 1.087 637 K CA 0.621 56.925 56.287 0.029 0.000 1.012 637 K CB 1.678 34.186 32.500 0.013 0.000 0.925 637 K HN 0.154 nan 8.250 nan 0.000 0.547 638 G N 2.348 111.165 108.800 0.028 0.000 2.539 638 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.686 638 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.686 638 G C -2.537 172.373 174.900 0.016 0.000 1.258 638 G CA -0.656 44.458 45.100 0.023 0.000 0.846 638 G HN -0.218 nan 8.290 nan 0.000 0.647 639 P HA -0.108 nan 4.420 nan 0.000 0.218 639 P C 1.488 178.801 177.300 0.021 0.000 1.149 639 P CA 1.374 64.480 63.100 0.010 0.000 0.817 639 P CB 0.129 31.824 31.700 -0.009 0.000 0.785 640 Q N -0.036 119.773 119.800 0.015 0.000 2.084 640 Q HA -0.065 4.274 4.340 -0.001 0.000 0.202 640 Q C 2.381 178.397 176.000 0.027 0.000 0.978 640 Q CA 1.168 56.981 55.803 0.017 0.000 0.844 640 Q CB -1.538 27.207 28.738 0.011 0.000 0.898 640 Q HN 0.208 nan 8.270 nan 0.000 0.426 641 V N 0.222 120.149 119.914 0.022 0.000 2.548 641 V HA -0.198 3.921 4.120 -0.001 0.000 0.249 641 V C 2.462 178.566 176.094 0.017 0.000 1.055 641 V CA 1.432 63.743 62.300 0.018 0.000 1.065 641 V CB -0.606 31.224 31.823 0.011 0.000 0.681 641 V HN 0.438 nan 8.190 nan 0.000 0.462 642 C N 0.328 119.641 119.300 0.021 0.000 2.457 642 C HA 0.066 4.525 4.460 -0.001 0.000 0.278 642 C C 3.102 178.152 174.990 0.100 0.000 1.309 642 C CA 0.572 59.595 59.018 0.009 0.000 1.735 642 C CB -1.085 26.665 27.740 0.018 0.000 1.992 642 C HN 0.571 nan 8.230 nan 0.000 0.493 643 A N 0.850 123.762 122.820 0.154 0.000 1.873 643 A HA -0.243 4.076 4.320 -0.001 0.000 0.218 643 A C 2.183 179.908 177.584 0.234 0.000 1.193 643 A CA 2.112 54.292 52.037 0.239 0.000 0.629 643 A CB -0.692 18.366 19.000 0.097 0.000 0.826 643 A HN 0.756 nan 8.150 nan 0.000 0.447 644 K N -0.837 119.635 120.400 0.120 0.000 2.209 644 K HA -0.102 4.217 4.320 -0.001 0.000 0.204 644 K C 1.837 178.488 176.600 0.086 0.000 1.048 644 K CA 1.205 57.550 56.287 0.096 0.000 0.940 644 K CB -0.376 32.159 32.500 0.059 0.000 0.729 644 K HN 0.437 nan 8.250 nan 0.000 0.451 645 L N 0.549 121.793 121.223 0.035 0.000 2.079 645 L HA -0.145 4.194 4.340 -0.001 0.000 0.210 645 L C 1.769 178.599 176.870 -0.067 0.000 1.081 645 L CA 1.613 56.416 54.840 -0.062 0.000 0.752 645 L CB -0.381 41.577 42.059 -0.168 0.000 0.896 645 L HN 0.015 nan 8.230 nan 0.000 0.433 646 F N 0.111 120.063 119.950 0.003 0.000 2.046 646 F HA -0.112 4.415 4.527 -0.001 0.000 0.297 646 F C 2.572 178.378 175.800 0.011 0.000 1.123 646 F CA 1.685 59.688 58.000 0.006 0.000 1.199 646 F CB -1.452 37.553 39.000 0.009 0.000 0.972 646 F HN 0.203 nan 8.300 nan 0.000 0.474 647 G N 0.084 109.032 108.800 0.248 0.000 2.679 647 G HA2 -0.400 3.559 3.960 -0.001 0.000 0.222 647 G HA3 -0.400 3.559 3.960 -0.001 0.000 0.222 647 G C 1.415 176.374 174.900 0.099 0.000 1.164 647 G CA 1.921 47.105 45.100 0.141 0.000 0.769 647 G HN 0.325 nan 8.290 nan 0.000 0.610 648 N N 0.225 118.971 118.700 0.076 0.000 2.250 648 N HA 0.075 4.814 4.740 -0.001 0.000 0.181 648 N C 2.171 177.693 175.510 0.021 0.000 1.017 648 N CA 0.629 53.710 53.050 0.051 0.000 0.866 648 N CB -0.180 38.332 38.487 0.041 0.000 0.985 648 N HN 0.408 nan 8.380 nan 0.000 0.429 649 I N 0.640 121.215 120.570 0.009 0.000 2.546 649 I HA -0.202 3.967 4.170 -0.001 0.000 0.255 649 I C 1.864 177.981 176.117 0.000 0.000 1.163 649 I CA 0.903 62.193 61.300 -0.016 0.000 1.457 649 I CB -0.151 37.823 38.000 -0.043 0.000 1.092 649 I HN 0.193 nan 8.210 nan 0.000 0.434 650 Q N 0.760 120.577 119.800 0.028 0.000 2.062 650 Q HA -0.125 4.214 4.340 -0.001 0.000 0.196 650 Q C 2.184 178.160 176.000 -0.039 0.000 0.967 650 Q CA 1.055 56.870 55.803 0.020 0.000 0.832 650 Q CB -0.018 28.752 28.738 0.054 0.000 0.899 650 Q HN 0.397 nan 8.270 nan 0.000 0.442 651 K N 0.194 120.564 120.400 -0.050 0.000 2.057 651 K HA -0.128 4.191 4.320 -0.001 0.000 0.207 651 K C 2.100 178.541 176.600 -0.265 0.000 1.049 651 K CA 1.324 57.508 56.287 -0.171 0.000 0.931 651 K CB -0.062 32.442 32.500 0.006 0.000 0.714 651 K HN 0.045 nan 8.250 nan 0.000 0.440 652 V N 0.804 120.657 119.914 -0.101 0.000 2.255 652 V HA -0.191 3.928 4.120 -0.001 0.000 0.243 652 V C 2.318 178.447 176.094 0.058 0.000 1.038 652 V CA 1.394 63.665 62.300 -0.049 0.000 1.008 652 V CB -0.316 31.486 31.823 -0.035 0.000 0.645 652 V HN 0.035 nan 8.190 nan 0.000 0.449 653 V N 0.732 120.667 119.914 0.034 0.000 2.343 653 V HA -0.224 3.895 4.120 -0.001 0.000 0.247 653 V C 2.357 178.537 176.094 0.143 0.000 1.051 653 V CA 1.997 64.350 62.300 0.089 0.000 1.036 653 V CB -0.950 30.883 31.823 0.016 0.000 0.654 653 V HN 0.541 nan 8.190 nan 0.000 0.451 654 N N -0.210 118.516 118.700 0.043 0.000 2.149 654 N HA -0.192 4.547 4.740 -0.001 0.000 0.188 654 N C 1.676 177.182 175.510 -0.007 0.000 1.019 654 N CA 1.766 54.816 53.050 -0.000 0.000 0.857 654 N CB -0.430 38.013 38.487 -0.074 0.000 0.997 654 N HN 0.597 nan 8.380 nan 0.000 0.426 655 F N -0.271 119.567 119.950 -0.187 0.000 2.098 655 F HA -0.106 4.420 4.527 -0.002 0.000 0.294 655 F C 2.375 178.226 175.800 0.085 0.000 1.107 655 F CA 1.029 58.927 58.000 -0.171 0.000 1.234 655 F CB -0.560 38.155 39.000 -0.474 0.000 1.002 655 F HN 0.055 nan 8.300 nan 0.000 0.472 656 W N 0.986 122.396 121.300 0.184 0.000 2.305 656 W HA -0.301 4.358 4.660 -0.001 0.000 0.308 656 W C 2.097 178.617 176.519 0.002 0.000 1.226 656 W CA 2.217 59.623 57.345 0.101 0.000 1.253 656 W CB -0.605 28.901 29.460 0.076 0.000 1.146 656 W HN 0.221 nan 8.180 nan 0.000 0.507 657 L N 0.347 121.682 121.223 0.187 0.000 2.027 657 L HA -0.145 4.194 4.340 -0.001 0.000 0.206 657 L C 2.404 179.165 176.870 -0.182 0.000 1.074 657 L CA 1.906 56.767 54.840 0.035 0.000 0.745 657 L CB -1.610 40.531 42.059 0.137 0.000 0.898 657 L HN 0.152 nan 8.230 nan 0.000 0.433 658 L N -0.562 120.534 121.223 -0.213 0.000 2.089 658 L HA -0.273 4.066 4.340 -0.001 0.000 0.213 658 L C 2.296 178.858 176.870 -0.513 0.000 1.079 658 L CA 2.011 56.634 54.840 -0.363 0.000 0.758 658 L CB -1.133 40.652 42.059 -0.457 0.000 0.891 658 L HN 0.495 nan 8.230 nan 0.000 0.433 659 H N -2.163 116.633 119.070 -0.457 0.000 2.551 659 H HA 0.106 4.661 4.556 -0.001 0.000 0.271 659 H C 1.404 176.468 175.328 -0.440 0.000 0.984 659 H CA 0.690 56.482 56.048 -0.428 0.000 1.164 659 H CB 0.318 29.797 29.762 -0.473 0.000 1.437 659 H HN 0.476 nan 8.280 nan 0.000 0.550 660 N N 0.209 118.615 118.700 -0.491 0.000 2.436 660 N HA 0.091 4.830 4.740 -0.001 0.000 0.178 660 N C 0.392 175.752 175.510 -0.251 0.000 1.026 660 N CA 0.937 53.680 53.050 -0.510 0.000 0.880 660 N CB 0.993 38.891 38.487 -0.983 0.000 1.061 660 N HN 0.345 nan 8.380 nan 0.000 0.434 661 G N -0.496 108.189 108.800 -0.192 0.000 2.712 661 G HA2 -0.067 3.892 3.960 -0.001 0.000 0.686 661 G HA3 -0.067 3.892 3.960 -0.001 0.000 0.686 661 G C -1.273 173.690 174.900 0.105 0.000 1.321 661 G CA -0.256 44.808 45.100 -0.060 0.000 0.813 661 G HN 0.326 nan 8.290 nan 0.000 0.599 662 F N 1.094 121.010 119.950 -0.057 0.000 2.604 662 F HA 0.792 5.318 4.527 -0.001 0.000 0.316 662 F C -0.143 175.648 175.800 -0.015 0.000 1.136 662 F CA -0.085 57.906 58.000 -0.016 0.000 0.989 662 F CB 1.950 40.959 39.000 0.016 0.000 1.258 662 F HN 1.175 nan 8.300 nan 0.000 0.451 663 S N 2.390 117.651 115.700 -0.733 0.000 2.806 663 S HA 0.912 5.382 4.470 -0.001 0.000 0.306 663 S C -1.552 172.604 174.600 -0.740 0.000 1.167 663 S CA -0.344 57.489 58.200 -0.612 0.000 0.847 663 S CB 2.069 65.108 63.200 -0.268 0.000 1.216 663 S HN 0.728 nan 8.310 nan 0.000 0.532 664 T N 0.945 115.264 114.554 -0.392 0.000 3.395 664 T HA 0.603 4.952 4.350 -0.001 0.000 0.330 664 T C -0.312 174.304 174.700 -0.140 0.000 1.076 664 T CA -0.370 61.578 62.100 -0.254 0.000 1.070 664 T CB 1.076 69.817 68.868 -0.213 0.000 1.119 664 T HN 0.849 nan 8.240 nan 0.000 0.462 665 G N 1.012 109.755 108.800 -0.095 0.000 2.597 665 G HA2 0.650 4.610 3.960 -0.001 0.000 0.317 665 G HA3 0.650 4.610 3.960 -0.001 0.000 0.317 665 G C 0.876 175.755 174.900 -0.035 0.000 1.230 665 G CA -0.804 44.261 45.100 -0.059 0.000 0.996 665 G HN 0.788 nan 8.290 nan 0.000 0.490 666 I N 0.369 120.924 120.570 -0.024 0.000 2.614 666 I HA -0.048 4.121 4.170 -0.001 0.000 0.258 666 I C 2.535 178.650 176.117 -0.004 0.000 1.189 666 I CA 1.314 62.608 61.300 -0.010 0.000 1.462 666 I CB -0.004 37.993 38.000 -0.005 0.000 1.092 666 I HN 0.604 nan 8.210 nan 0.000 0.442 667 G N -0.016 108.780 108.800 -0.008 0.000 2.516 667 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.221 667 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.221 667 G C 1.116 176.018 174.900 0.003 0.000 1.107 667 G CA 0.893 45.992 45.100 -0.002 0.000 0.747 667 G HN 0.385 nan 8.290 nan 0.000 0.567 668 D N -0.223 120.177 120.400 0.000 0.000 2.340 668 D HA 0.013 4.653 4.640 -0.001 0.000 0.220 668 D C 2.023 178.332 176.300 0.016 0.000 1.039 668 D CA 1.101 55.107 54.000 0.009 0.000 0.866 668 D CB 0.226 41.027 40.800 0.002 0.000 0.913 668 D HN 0.488 nan 8.370 nan 0.000 0.523 669 T N -2.133 112.429 114.554 0.013 0.000 3.132 669 T HA 0.234 4.583 4.350 -0.001 0.000 0.274 669 T C 0.685 175.394 174.700 0.015 0.000 1.011 669 T CA -0.338 61.773 62.100 0.017 0.000 0.899 669 T CB 0.390 69.271 68.868 0.022 0.000 1.089 669 T HN -0.103 nan 8.240 nan 0.000 0.543 670 I N 2.791 123.369 120.570 0.014 0.000 2.307 670 I HA 0.520 4.689 4.170 -0.001 0.000 0.287 670 I C 0.723 176.848 176.117 0.015 0.000 1.054 670 I CA -1.115 60.193 61.300 0.013 0.000 1.218 670 I CB -0.002 38.005 38.000 0.011 0.000 1.398 670 I HN 0.235 nan 8.210 nan 0.000 0.475 671 A N 4.791 127.619 122.820 0.014 0.000 2.520 671 A HA 0.112 4.431 4.320 -0.001 0.000 0.245 671 A C 0.332 177.926 177.584 0.016 0.000 1.072 671 A CA 0.178 52.225 52.037 0.017 0.000 0.761 671 A CB -0.239 18.771 19.000 0.016 0.000 1.004 671 A HN 0.832 nan 8.150 nan 0.000 0.499 672 D N 0.886 121.296 120.400 0.017 0.000 7.888 672 D HA -0.112 4.527 4.640 -0.001 0.000 0.276 672 D C 1.356 177.665 176.300 0.015 0.000 2.092 672 D CA 1.563 55.573 54.000 0.017 0.000 1.946 672 D CB 0.067 40.879 40.800 0.020 0.000 0.931 672 D HN 0.805 nan 8.370 nan 0.000 0.620 673 G N 3.941 112.749 108.800 0.014 0.000 2.453 673 G HA2 -0.159 3.800 3.960 -0.001 0.000 0.215 673 G HA3 -0.159 3.800 3.960 -0.001 0.000 0.215 673 G C -0.542 174.366 174.900 0.014 0.000 1.201 673 G CA 1.000 46.108 45.100 0.013 0.000 0.784 673 G HN 0.556 nan 8.290 nan 0.000 0.545 674 P HA -0.046 nan 4.420 nan 0.000 0.218 674 P C 1.703 179.012 177.300 0.016 0.000 1.149 674 P CA 1.563 64.671 63.100 0.014 0.000 0.817 674 P CB -0.277 31.431 31.700 0.014 0.000 0.785 675 T N -0.127 114.438 114.554 0.018 0.000 2.777 675 T HA -0.065 4.285 4.350 -0.001 0.000 0.266 675 T C 1.914 176.625 174.700 0.019 0.000 1.040 675 T CA 1.221 63.333 62.100 0.020 0.000 1.141 675 T CB -0.508 68.374 68.868 0.022 0.000 0.868 675 T HN -0.057 nan 8.240 nan 0.000 0.444 676 M N 0.941 120.550 119.600 0.016 0.000 2.149 676 M HA -0.002 4.477 4.480 -0.001 0.000 0.261 676 M C 2.257 178.567 176.300 0.016 0.000 1.064 676 M CA 1.344 56.653 55.300 0.014 0.000 1.102 676 M CB -1.035 31.573 32.600 0.012 0.000 1.369 676 M HN 0.154 nan 8.290 nan 0.000 0.408 677 R N -0.027 120.483 120.500 0.016 0.000 2.070 677 R HA -0.127 4.212 4.340 -0.001 0.000 0.233 677 R C 2.197 178.508 176.300 0.019 0.000 1.137 677 R CA 1.395 57.505 56.100 0.017 0.000 0.945 677 R CB -0.073 30.236 30.300 0.015 0.000 0.845 677 R HN 0.401 nan 8.270 nan 0.000 0.430 678 E N 0.347 120.558 120.200 0.019 0.000 2.035 678 E HA -0.269 4.081 4.350 -0.001 0.000 0.204 678 E C 2.042 178.657 176.600 0.026 0.000 1.025 678 E CA 2.041 58.454 56.400 0.021 0.000 0.835 678 E CB -0.273 29.440 29.700 0.022 0.000 0.764 678 E HN 0.345 nan 8.360 nan 0.000 0.457 679 I N 0.737 121.323 120.570 0.027 0.000 2.113 679 I HA -0.342 3.827 4.170 -0.001 0.000 0.242 679 I C 2.639 178.777 176.117 0.035 0.000 1.064 679 I CA 1.540 62.859 61.300 0.031 0.000 1.320 679 I CB -0.669 37.345 38.000 0.023 0.000 1.028 679 I HN 0.129 nan 8.210 nan 0.000 0.406 680 T N 0.765 115.337 114.554 0.030 0.000 2.580 680 T HA -0.242 4.108 4.350 -0.001 0.000 0.265 680 T C 1.688 176.409 174.700 0.036 0.000 1.063 680 T CA 1.934 64.055 62.100 0.035 0.000 1.170 680 T CB -0.481 68.405 68.868 0.029 0.000 0.863 680 T HN 0.610 nan 8.240 nan 0.000 0.418 681 E N 0.398 120.614 120.200 0.027 0.000 2.510 681 E HA -0.112 4.238 4.350 -0.001 0.000 0.202 681 E C 1.598 178.210 176.600 0.020 0.000 1.072 681 E CA 1.007 57.420 56.400 0.022 0.000 0.883 681 E CB -0.362 29.347 29.700 0.015 0.000 0.818 681 E HN 0.355 nan 8.360 nan 0.000 0.548 682 T N 1.117 115.689 114.554 0.029 0.000 2.939 682 T HA 0.073 4.422 4.350 -0.001 0.000 0.254 682 T C 1.814 176.537 174.700 0.038 0.000 1.041 682 T CA 0.273 62.390 62.100 0.029 0.000 1.142 682 T CB 0.083 68.974 68.868 0.037 0.000 0.874 682 T HN 0.133 nan 8.240 nan 0.000 0.452 683 I N 2.006 122.615 120.570 0.066 0.000 2.226 683 I HA -0.133 4.036 4.170 -0.001 0.000 0.245 683 I C 2.883 179.033 176.117 0.054 0.000 1.100 683 I CA 1.210 62.570 61.300 0.100 0.000 1.374 683 I CB -1.357 36.739 38.000 0.161 0.000 1.057 683 I HN 0.177 nan 8.210 nan 0.000 0.413 684 A N 1.269 124.115 122.820 0.043 0.000 1.972 684 A HA -0.217 4.103 4.320 -0.001 0.000 0.219 684 A C 2.279 179.860 177.584 -0.004 0.000 1.169 684 A CA 1.757 53.810 52.037 0.027 0.000 0.635 684 A CB -0.615 18.401 19.000 0.027 0.000 0.810 684 A HN 0.679 nan 8.150 nan 0.000 0.446 685 E N -0.018 120.172 120.200 -0.016 0.000 2.072 685 E HA -0.029 4.321 4.350 -0.001 0.000 0.190 685 E C 1.984 178.533 176.600 -0.084 0.000 0.982 685 E CA 1.040 57.411 56.400 -0.047 0.000 0.803 685 E CB -0.475 29.195 29.700 -0.050 0.000 0.755 685 E HN 0.424 nan 8.360 nan 0.000 0.453 686 A N 1.732 124.505 122.820 -0.078 0.000 2.015 686 A HA -0.127 4.192 4.320 -0.001 0.000 0.219 686 A C 2.120 179.635 177.584 -0.117 0.000 1.163 686 A CA 1.115 53.083 52.037 -0.115 0.000 0.646 686 A CB -0.288 18.665 19.000 -0.078 0.000 0.806 686 A HN 0.058 nan 8.150 nan 0.000 0.448 687 K N 0.255 120.608 120.400 -0.079 0.000 1.991 687 K HA -0.143 4.177 4.320 -0.001 0.000 0.212 687 K C 1.832 178.408 176.600 -0.040 0.000 1.049 687 K CA 1.435 57.689 56.287 -0.055 0.000 0.932 687 K CB -0.310 32.188 32.500 -0.005 0.000 0.717 687 K HN 0.303 nan 8.250 nan 0.000 0.441 688 K N 1.214 121.590 120.400 -0.041 0.000 2.057 688 K HA -0.090 4.230 4.320 -0.001 0.000 0.206 688 K C 2.046 178.608 176.600 -0.062 0.000 1.050 688 K CA 0.949 57.215 56.287 -0.035 0.000 0.935 688 K CB -0.309 32.171 32.500 -0.032 0.000 0.715 688 K HN 0.149 nan 8.250 nan 0.000 0.439 689 K N 0.851 121.171 120.400 -0.133 0.000 2.160 689 K HA -0.126 4.194 4.320 -0.001 0.000 0.206 689 K C 1.966 178.493 176.600 -0.122 0.000 1.047 689 K CA 1.016 57.155 56.287 -0.248 0.000 0.930 689 K CB 0.098 32.297 32.500 -0.502 0.000 0.720 689 K HN -0.103 nan 8.250 nan 0.000 0.450 690 V N 1.113 121.015 119.914 -0.019 0.000 2.379 690 V HA -0.207 3.912 4.120 -0.001 0.000 0.243 690 V C 2.150 178.299 176.094 0.092 0.000 1.035 690 V CA 0.908 63.256 62.300 0.080 0.000 1.035 690 V CB -0.347 31.485 31.823 0.014 0.000 0.673 690 V HN 0.376 nan 8.190 nan 0.000 0.457 691 L N 0.591 121.849 121.223 0.060 0.000 2.040 691 L HA -0.330 4.009 4.340 -0.001 0.000 0.228 691 L C 2.301 179.223 176.870 0.086 0.000 1.092 691 L CA 2.778 57.662 54.840 0.074 0.000 0.805 691 L CB -1.170 40.914 42.059 0.041 0.000 0.905 691 L HN 0.403 nan 8.230 nan 0.000 0.443 692 D N -0.994 119.441 120.400 0.057 0.000 2.097 692 D HA -0.138 4.501 4.640 -0.001 0.000 0.195 692 D C 2.287 178.646 176.300 0.099 0.000 0.989 692 D CA 1.241 55.274 54.000 0.055 0.000 0.827 692 D CB -0.318 40.491 40.800 0.016 0.000 0.966 692 D HN 0.226 nan 8.370 nan 0.000 0.456 693 V N 1.218 121.218 119.914 0.144 0.000 2.287 693 V HA -0.287 3.833 4.120 -0.001 0.000 0.248 693 V C 2.455 178.722 176.094 0.289 0.000 1.053 693 V CA 2.215 64.640 62.300 0.208 0.000 1.027 693 V CB -0.917 31.048 31.823 0.237 0.000 0.646 693 V HN 0.275 nan 8.190 nan 0.000 0.447 694 T N -0.538 114.243 114.554 0.378 0.000 2.580 694 T HA -0.300 4.049 4.350 -0.001 0.000 0.265 694 T C 1.998 176.763 174.700 0.108 0.000 1.063 694 T CA 1.796 64.107 62.100 0.351 0.000 1.170 694 T CB -0.384 68.677 68.868 0.321 0.000 0.863 694 T HN 0.183 nan 8.240 nan 0.000 0.418 695 K N 1.109 121.567 120.400 0.096 0.000 2.127 695 K HA -0.146 4.173 4.320 -0.001 0.000 0.208 695 K C 2.223 178.845 176.600 0.037 0.000 1.047 695 K CA 1.617 57.935 56.287 0.052 0.000 0.927 695 K CB -0.480 32.050 32.500 0.050 0.000 0.716 695 K HN 0.619 nan 8.250 nan 0.000 0.450 696 E N -0.817 119.419 120.200 0.060 0.000 2.015 696 E HA -0.150 4.199 4.350 -0.001 0.000 0.191 696 E C 1.799 178.411 176.600 0.020 0.000 0.991 696 E CA 1.180 57.609 56.400 0.048 0.000 0.802 696 E CB -0.204 29.540 29.700 0.074 0.000 0.759 696 E HN 0.285 nan 8.360 nan 0.000 0.447 697 A N 0.708 123.538 122.820 0.017 0.000 1.978 697 A HA -0.242 4.078 4.320 -0.001 0.000 0.220 697 A C 2.031 179.545 177.584 -0.116 0.000 1.170 697 A CA 1.661 53.656 52.037 -0.069 0.000 0.636 697 A CB -0.527 18.365 19.000 -0.180 0.000 0.810 697 A HN 0.386 nan 8.150 nan 0.000 0.448 698 Q N -1.125 118.613 119.800 -0.102 0.000 2.297 698 Q HA 0.085 4.424 4.340 -0.001 0.000 0.204 698 Q C 1.657 177.629 176.000 -0.048 0.000 0.962 698 Q CA 0.886 56.636 55.803 -0.088 0.000 0.879 698 Q CB -0.166 28.537 28.738 -0.060 0.000 0.947 698 Q HN 0.653 nan 8.270 nan 0.000 0.462 699 A N 0.731 123.533 122.820 -0.030 0.000 2.460 699 A HA 0.099 4.418 4.320 -0.001 0.000 0.258 699 A C 0.285 177.859 177.584 -0.017 0.000 1.300 699 A CA -0.237 51.791 52.037 -0.016 0.000 0.913 699 A CB 0.021 19.019 19.000 -0.004 0.000 1.031 699 A HN 0.362 nan 8.150 nan 0.000 0.512 700 N N -0.977 117.706 118.700 -0.028 0.000 2.727 700 N HA -0.159 4.580 4.740 -0.001 0.000 0.249 700 N C 0.155 175.657 175.510 -0.013 0.000 1.048 700 N CA 1.052 54.087 53.050 -0.026 0.000 0.714 700 N CB -1.644 36.828 38.487 -0.024 0.000 0.959 700 N HN 0.537 nan 8.380 nan 0.000 0.544 701 L N -1.349 119.870 121.223 -0.006 0.000 2.858 701 L HA 0.275 4.614 4.340 -0.001 0.000 0.251 701 L C 0.668 177.545 176.870 0.011 0.000 1.149 701 L CA -0.416 54.426 54.840 0.003 0.000 0.955 701 L CB 0.232 42.296 42.059 0.009 0.000 1.289 701 L HN 0.180 nan 8.230 nan 0.000 0.542 702 L N 1.953 123.182 121.223 0.010 0.000 2.360 702 L HA 0.269 4.608 4.340 -0.001 0.000 0.276 702 L C -0.127 176.749 176.870 0.010 0.000 1.121 702 L CA 0.715 55.568 54.840 0.022 0.000 0.845 702 L CB 1.184 43.264 42.059 0.035 0.000 1.143 702 L HN 0.136 nan 8.230 nan 0.000 0.452 703 T N 3.539 118.101 114.554 0.014 0.000 2.907 703 T HA 0.554 4.903 4.350 -0.001 0.000 0.284 703 T C 0.239 174.942 174.700 0.004 0.000 1.004 703 T CA -0.633 61.469 62.100 0.004 0.000 1.063 703 T CB 1.582 70.454 68.868 0.006 0.000 0.992 703 T HN 0.736 nan 8.240 nan 0.000 0.483 704 A N 2.690 125.504 122.820 -0.010 0.000 2.366 704 A HA 0.406 4.725 4.320 -0.001 0.000 0.272 704 A C 0.286 177.865 177.584 -0.009 0.000 1.135 704 A CA -0.633 51.396 52.037 -0.015 0.000 0.804 704 A CB -0.051 18.927 19.000 -0.036 0.000 1.064 704 A HN 0.799 nan 8.150 nan 0.000 0.499 705 K N 1.830 122.235 120.400 0.008 0.000 2.447 705 K HA 0.038 4.357 4.320 -0.001 0.000 0.281 705 K C 0.164 176.793 176.600 0.049 0.000 1.031 705 K CA 0.228 56.535 56.287 0.033 0.000 1.019 705 K CB 0.096 32.614 32.500 0.029 0.000 0.918 705 K HN 0.868 nan 8.250 nan 0.000 0.476 706 H N 1.210 120.276 119.070 -0.006 0.000 3.173 706 H HA -0.115 4.440 4.556 -0.001 0.000 0.311 706 H C 1.391 176.716 175.328 -0.005 0.000 0.972 706 H CA 1.898 57.940 56.048 -0.010 0.000 1.384 706 H CB 0.245 29.997 29.762 -0.017 0.000 1.349 706 H HN 0.842 nan 8.280 nan 0.000 0.582 707 G N 3.502 112.255 108.800 -0.078 0.000 2.212 707 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.266 707 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.266 707 G C 0.264 175.171 174.900 0.012 0.000 0.978 707 G CA 0.602 45.728 45.100 0.042 0.000 0.632 707 G HN 0.793 nan 8.290 nan 0.000 0.537 708 M N -0.277 119.321 119.600 -0.003 0.000 2.598 708 M HA 0.737 5.217 4.480 -0.001 0.000 0.317 708 M C 0.327 176.616 176.300 -0.018 0.000 1.179 708 M CA -0.748 54.551 55.300 -0.001 0.000 0.936 708 M CB 1.331 33.939 32.600 0.014 0.000 1.713 708 M HN -0.027 nan 8.290 nan 0.000 0.460 709 T N 2.239 116.786 114.554 -0.010 0.000 2.906 709 T HA -0.031 4.318 4.350 -0.001 0.000 0.329 709 T C 1.347 176.041 174.700 -0.011 0.000 1.091 709 T CA -0.423 61.669 62.100 -0.013 0.000 1.127 709 T CB 0.503 69.369 68.868 -0.004 0.000 1.035 709 T HN 0.613 nan 8.240 nan 0.000 0.547 710 L N 2.166 123.378 121.223 -0.019 0.000 1.990 710 L HA -0.165 4.175 4.340 -0.001 0.000 0.213 710 L C 2.565 179.434 176.870 -0.002 0.000 1.072 710 L CA 2.037 56.866 54.840 -0.018 0.000 0.755 710 L CB -0.808 41.229 42.059 -0.037 0.000 0.889 710 L HN 0.678 nan 8.230 nan 0.000 0.432 711 R N -0.727 119.763 120.500 -0.016 0.000 2.148 711 R HA -0.108 4.231 4.340 -0.001 0.000 0.223 711 R C 1.924 178.263 176.300 0.065 0.000 1.088 711 R CA 0.771 56.867 56.100 -0.007 0.000 0.985 711 R CB -0.184 30.089 30.300 -0.045 0.000 0.880 711 R HN 0.495 nan 8.270 nan 0.000 0.451 712 E N 0.953 121.175 120.200 0.037 0.000 2.106 712 E HA -0.139 4.211 4.350 -0.001 0.000 0.192 712 E C 2.068 178.683 176.600 0.025 0.000 0.984 712 E CA 1.623 58.042 56.400 0.032 0.000 0.806 712 E CB 0.117 29.828 29.700 0.018 0.000 0.750 712 E HN 0.375 nan 8.360 nan 0.000 0.458 713 S N 0.628 116.346 115.700 0.029 0.000 2.371 713 S HA -0.166 4.303 4.470 -0.001 0.000 0.224 713 S C 1.899 176.498 174.600 -0.002 0.000 1.029 713 S CA 0.578 58.782 58.200 0.006 0.000 0.978 713 S CB -0.621 62.586 63.200 0.012 0.000 0.833 713 S HN 0.324 nan 8.310 nan 0.000 0.466 714 F N 3.160 123.054 119.950 -0.094 0.000 2.065 714 F HA -0.137 4.390 4.527 -0.002 0.000 0.298 714 F C 2.527 178.255 175.800 -0.120 0.000 1.112 714 F CA 2.107 60.040 58.000 -0.111 0.000 1.212 714 F CB -0.409 38.512 39.000 -0.132 0.000 0.975 714 F HN 0.075 nan 8.300 nan 0.000 0.476 715 E N 0.496 120.652 120.200 -0.073 0.000 2.049 715 E HA -0.305 4.044 4.350 -0.001 0.000 0.198 715 E C 1.895 178.359 176.600 -0.227 0.000 1.007 715 E CA 1.781 58.086 56.400 -0.158 0.000 0.809 715 E CB -0.956 28.742 29.700 -0.004 0.000 0.749 715 E HN 0.636 nan 8.360 nan 0.000 0.450 716 D N 0.718 121.023 120.400 -0.158 0.000 2.177 716 D HA -0.224 4.415 4.640 -0.001 0.000 0.189 716 D C 1.643 177.753 176.300 -0.317 0.000 1.002 716 D CA 2.038 55.933 54.000 -0.176 0.000 0.845 716 D CB -0.160 40.573 40.800 -0.112 0.000 0.960 716 D HN -0.021 nan 8.370 nan 0.000 0.447 717 N N -0.252 118.204 118.700 -0.407 0.000 2.021 717 N HA -0.178 4.561 4.740 -0.001 0.000 0.198 717 N C 2.047 177.004 175.510 -0.922 0.000 1.041 717 N CA 1.783 54.408 53.050 -0.708 0.000 0.862 717 N CB -0.865 37.263 38.487 -0.599 0.000 1.048 717 N HN 0.220 nan 8.380 nan 0.000 0.427 718 V N 0.817 120.303 119.914 -0.712 0.000 2.233 718 V HA -0.202 3.917 4.120 -0.001 0.000 0.247 718 V C 2.496 178.379 176.094 -0.352 0.000 1.050 718 V CA 1.441 63.421 62.300 -0.533 0.000 1.010 718 V CB -0.776 30.676 31.823 -0.618 0.000 0.637 718 V HN 0.094 nan 8.190 nan 0.000 0.444 719 V N -0.149 119.593 119.914 -0.286 0.000 2.317 719 V HA -0.344 3.775 4.120 -0.001 0.000 0.251 719 V C 2.622 178.639 176.094 -0.129 0.000 1.065 719 V CA 2.371 64.577 62.300 -0.157 0.000 1.049 719 V CB -0.873 30.888 31.823 -0.103 0.000 0.651 719 V HN 0.467 nan 8.190 nan 0.000 0.450 720 R N -0.861 119.513 120.500 -0.209 0.000 2.073 720 R HA -0.123 4.216 4.340 -0.001 0.000 0.234 720 R C 2.303 178.563 176.300 -0.065 0.000 1.134 720 R CA 1.933 57.935 56.100 -0.164 0.000 0.952 720 R CB -0.473 29.677 30.300 -0.249 0.000 0.850 720 R HN 0.514 nan 8.270 nan 0.000 0.433 721 F N -0.067 119.819 119.950 -0.107 0.000 2.333 721 F HA -0.179 4.347 4.527 -0.002 0.000 0.300 721 F C 1.809 177.534 175.800 -0.125 0.000 1.083 721 F CA -0.006 57.927 58.000 -0.111 0.000 1.395 721 F CB 0.113 39.029 39.000 -0.140 0.000 1.056 721 F HN 0.030 nan 8.300 nan 0.000 0.529 722 L N -0.440 120.790 121.223 0.012 0.000 2.354 722 L HA -0.009 4.330 4.340 -0.001 0.000 0.212 722 L C 1.832 178.763 176.870 0.103 0.000 1.091 722 L CA 0.990 55.785 54.840 -0.076 0.000 0.828 722 L CB -0.910 41.002 42.059 -0.246 0.000 0.973 722 L HN -0.022 nan 8.230 nan 0.000 0.461 723 N N -0.196 118.555 118.700 0.085 0.000 2.250 723 N HA -0.119 4.620 4.740 -0.001 0.000 0.181 723 N C 1.607 177.186 175.510 0.114 0.000 1.017 723 N CA 0.878 53.995 53.050 0.111 0.000 0.866 723 N CB 0.047 38.583 38.487 0.081 0.000 0.985 723 N HN 0.424 nan 8.380 nan 0.000 0.429 724 E N 1.118 121.377 120.200 0.099 0.000 2.077 724 E HA -0.092 4.257 4.350 -0.001 0.000 0.193 724 E C 1.936 178.600 176.600 0.106 0.000 0.989 724 E CA 1.012 57.471 56.400 0.098 0.000 0.800 724 E CB -0.081 29.679 29.700 0.101 0.000 0.746 724 E HN 0.325 nan 8.360 nan 0.000 0.452 725 A N 1.717 124.604 122.820 0.112 0.000 1.908 725 A HA -0.236 4.083 4.320 -0.001 0.000 0.218 725 A C 2.130 179.810 177.584 0.159 0.000 1.181 725 A CA 1.654 53.763 52.037 0.121 0.000 0.627 725 A CB -0.491 18.575 19.000 0.109 0.000 0.818 725 A HN 0.094 nan 8.150 nan 0.000 0.445 726 R N -0.710 119.903 120.500 0.188 0.000 2.090 726 R HA -0.130 4.209 4.340 -0.001 0.000 0.228 726 R C 1.121 177.498 176.300 0.129 0.000 1.110 726 R CA 1.697 57.883 56.100 0.143 0.000 0.973 726 R CB -0.225 30.151 30.300 0.126 0.000 0.869 726 R HN 0.445 nan 8.270 nan 0.000 0.440 727 D N 0.182 120.683 120.400 0.168 0.000 2.137 727 D HA -0.116 4.523 4.640 -0.001 0.000 0.202 727 D C 1.653 178.109 176.300 0.260 0.000 0.970 727 D CA 0.987 55.147 54.000 0.267 0.000 0.837 727 D CB -0.062 40.867 40.800 0.214 0.000 0.981 727 D HN 0.205 nan 8.370 nan 0.000 0.475 728 K N 1.017 121.508 120.400 0.151 0.000 2.026 728 K HA -0.093 4.226 4.320 -0.001 0.000 0.208 728 K C 1.996 178.667 176.600 0.119 0.000 1.048 728 K CA 1.392 57.746 56.287 0.112 0.000 0.929 728 K CB -0.078 32.465 32.500 0.071 0.000 0.713 728 K HN 0.007 nan 8.250 nan 0.000 0.439 729 A N 0.676 123.561 122.820 0.109 0.000 1.940 729 A HA -0.091 4.228 4.320 -0.001 0.000 0.219 729 A C 2.358 179.994 177.584 0.087 0.000 1.176 729 A CA 1.958 54.044 52.037 0.081 0.000 0.631 729 A CB -1.301 17.735 19.000 0.061 0.000 0.814 729 A HN 0.583 nan 8.150 nan 0.000 0.446 730 G N -0.756 108.117 108.800 0.121 0.000 2.421 730 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.216 730 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.216 730 G C 1.772 176.872 174.900 0.334 0.000 1.171 730 G CA 0.906 46.059 45.100 0.088 0.000 0.775 730 G HN 0.544 nan 8.290 nan 0.000 0.543 731 R N -0.443 120.323 120.500 0.444 0.000 2.115 731 R HA 0.183 4.522 4.340 -0.001 0.000 0.230 731 R C 2.586 178.979 176.300 0.154 0.000 1.111 731 R CA 0.379 56.654 56.100 0.291 0.000 0.976 731 R CB -0.335 30.015 30.300 0.083 0.000 0.870 731 R HN 0.309 nan 8.270 nan 0.000 0.445 732 L N -0.240 121.055 121.223 0.119 0.000 2.127 732 L HA -0.200 4.139 4.340 -0.001 0.000 0.211 732 L C 2.386 179.299 176.870 0.072 0.000 1.089 732 L CA 1.354 56.239 54.840 0.076 0.000 0.757 732 L CB -0.294 41.801 42.059 0.060 0.000 0.899 732 L HN 0.278 nan 8.230 nan 0.000 0.434 733 A N -0.852 122.017 122.820 0.083 0.000 1.935 733 A HA -0.170 4.149 4.320 -0.001 0.000 0.214 733 A C 2.193 179.823 177.584 0.077 0.000 1.178 733 A CA 1.072 53.145 52.037 0.060 0.000 0.640 733 A CB -0.302 18.716 19.000 0.031 0.000 0.825 733 A HN 0.424 nan 8.150 nan 0.000 0.447 734 E N 0.085 120.361 120.200 0.127 0.000 2.051 734 E HA -0.154 4.195 4.350 -0.001 0.000 0.192 734 E C 1.776 178.433 176.600 0.095 0.000 0.991 734 E CA 1.616 58.101 56.400 0.141 0.000 0.799 734 E CB -0.203 29.650 29.700 0.255 0.000 0.748 734 E HN 0.220 nan 8.360 nan 0.000 0.449 735 V N 2.153 122.117 119.914 0.083 0.000 2.380 735 V HA -0.303 3.816 4.120 -0.001 0.000 0.251 735 V C 2.381 178.502 176.094 0.046 0.000 1.063 735 V CA 2.139 64.470 62.300 0.053 0.000 1.055 735 V CB -0.750 31.098 31.823 0.042 0.000 0.657 735 V HN 0.480 nan 8.190 nan 0.000 0.455 736 N N -0.157 118.572 118.700 0.048 0.000 2.457 736 N HA -0.017 4.722 4.740 -0.001 0.000 0.180 736 N C 0.615 176.149 175.510 0.039 0.000 1.050 736 N CA 0.033 53.106 53.050 0.039 0.000 0.906 736 N CB 0.058 38.567 38.487 0.036 0.000 0.968 736 N HN 0.412 nan 8.380 nan 0.000 0.445 737 L N 2.642 123.893 121.223 0.047 0.000 2.410 737 L HA 0.103 4.442 4.340 -0.001 0.000 0.273 737 L C 0.520 177.418 176.870 0.045 0.000 1.144 737 L CA -0.045 54.823 54.840 0.047 0.000 0.863 737 L CB 0.623 42.715 42.059 0.056 0.000 1.140 737 L HN 0.007 nan 8.230 nan 0.000 0.463 738 K N 1.775 122.200 120.400 0.043 0.000 2.132 738 K HA 0.067 4.386 4.320 -0.001 0.000 0.240 738 K C 0.344 176.973 176.600 0.049 0.000 1.036 738 K CA -0.664 55.648 56.287 0.042 0.000 0.888 738 K CB 0.576 33.100 32.500 0.040 0.000 1.071 738 K HN 0.391 nan 8.250 nan 0.000 0.502 739 D N 0.420 120.848 120.400 0.046 0.000 2.264 739 D HA -0.081 4.559 4.640 -0.001 0.000 0.208 739 D C 1.409 177.748 176.300 0.065 0.000 0.966 739 D CA 0.800 54.830 54.000 0.050 0.000 0.864 739 D CB -0.081 40.743 40.800 0.040 0.000 0.933 739 D HN 0.426 nan 8.370 nan 0.000 0.499 740 L N -1.033 120.230 121.223 0.066 0.000 2.552 740 L HA 0.160 4.499 4.340 -0.001 0.000 0.227 740 L C 0.405 177.328 176.870 0.089 0.000 1.146 740 L CA 0.221 55.109 54.840 0.080 0.000 0.858 740 L CB -1.058 41.040 42.059 0.065 0.000 0.969 740 L HN -0.246 nan 8.230 nan 0.000 0.451 741 N N 1.121 119.868 118.700 0.079 0.000 2.452 741 N HA -0.016 4.724 4.740 -0.001 0.000 0.266 741 N C 0.929 176.509 175.510 0.117 0.000 1.209 741 N CA 0.043 53.141 53.050 0.079 0.000 0.929 741 N CB 0.317 38.843 38.487 0.064 0.000 1.063 741 N HN 0.210 nan 8.380 nan 0.000 0.472 742 N N 2.830 121.600 118.700 0.116 0.000 2.244 742 N HA -0.123 4.616 4.740 -0.001 0.000 0.183 742 N C 1.317 176.953 175.510 0.209 0.000 1.016 742 N CA 0.832 53.998 53.050 0.195 0.000 0.866 742 N CB -0.077 38.403 38.487 -0.011 0.000 0.980 742 N HN 0.328 nan 8.380 nan 0.000 0.430 743 V N 1.722 121.703 119.914 0.112 0.000 2.295 743 V HA -0.210 3.910 4.120 -0.001 0.000 0.246 743 V C 2.486 178.651 176.094 0.118 0.000 1.049 743 V CA 1.538 63.900 62.300 0.103 0.000 1.024 743 V CB -0.534 31.326 31.823 0.061 0.000 0.648 743 V HN 0.295 nan 8.190 nan 0.000 0.447 744 K N -0.194 120.268 120.400 0.104 0.000 2.152 744 K HA -0.233 4.086 4.320 -0.001 0.000 0.206 744 K C 2.218 178.874 176.600 0.093 0.000 1.048 744 K CA 1.584 57.926 56.287 0.092 0.000 0.933 744 K CB -0.130 32.418 32.500 0.080 0.000 0.721 744 K HN 0.542 nan 8.250 nan 0.000 0.447 745 Q N -0.406 119.466 119.800 0.121 0.000 2.224 745 Q HA -0.090 4.249 4.340 -0.001 0.000 0.203 745 Q C 1.858 177.897 176.000 0.066 0.000 0.970 745 Q CA 1.334 57.190 55.803 0.089 0.000 0.865 745 Q CB 0.055 28.864 28.738 0.119 0.000 0.922 745 Q HN 0.412 nan 8.270 nan 0.000 0.445 746 M N -0.930 118.751 119.600 0.136 0.000 2.476 746 M HA -0.060 4.419 4.480 -0.001 0.000 0.262 746 M C 1.893 178.238 176.300 0.075 0.000 1.111 746 M CA 0.456 55.823 55.300 0.112 0.000 1.127 746 M CB 0.462 33.173 32.600 0.186 0.000 1.376 746 M HN 0.005 nan 8.290 nan 0.000 0.465 747 V N 0.464 120.424 119.914 0.078 0.000 2.346 747 V HA -0.201 3.918 4.120 -0.001 0.000 0.244 747 V C 2.266 178.389 176.094 0.049 0.000 1.037 747 V CA 1.609 63.950 62.300 0.068 0.000 1.029 747 V CB -0.345 31.527 31.823 0.081 0.000 0.663 747 V HN 0.469 nan 8.190 nan 0.000 0.454 748 M N -0.143 119.482 119.600 0.041 0.000 2.159 748 M HA -0.114 4.366 4.480 -0.001 0.000 0.263 748 M C 2.207 178.511 176.300 0.007 0.000 1.063 748 M CA 1.988 57.302 55.300 0.023 0.000 1.110 748 M CB -0.479 32.132 32.600 0.018 0.000 1.374 748 M HN 0.388 nan 8.290 nan 0.000 0.411 749 A N -0.266 122.552 122.820 -0.002 0.000 2.119 749 A HA 0.271 4.590 4.320 -0.001 0.000 0.216 749 A C 1.739 179.322 177.584 -0.001 0.000 1.152 749 A CA 1.029 53.054 52.037 -0.020 0.000 0.708 749 A CB -0.769 18.199 19.000 -0.052 0.000 0.805 749 A HN 0.644 nan 8.150 nan 0.000 0.460 750 G N -0.471 108.340 108.800 0.018 0.000 2.147 750 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.244 750 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.244 750 G C 1.035 175.955 174.900 0.033 0.000 1.005 750 G CA 1.319 46.435 45.100 0.028 0.000 0.713 750 G HN 1.373 nan 8.290 nan 0.000 0.515 751 S N -1.621 114.101 115.700 0.035 0.000 2.387 751 S HA 0.434 4.903 4.470 -0.001 0.000 0.221 751 S C 0.874 175.509 174.600 0.058 0.000 1.041 751 S CA 1.196 59.423 58.200 0.045 0.000 0.959 751 S CB 0.629 63.855 63.200 0.042 0.000 0.843 751 S HN 0.351 nan 8.310 nan 0.000 0.488 752 K N 0.493 120.933 120.400 0.067 0.000 2.557 752 K HA 0.560 4.879 4.320 -0.001 0.000 0.261 752 K C -0.459 176.180 176.600 0.066 0.000 0.932 752 K CA 0.398 56.723 56.287 0.064 0.000 0.829 752 K CB 1.611 34.152 32.500 0.068 0.000 1.358 752 K HN 0.637 nan 8.250 nan 0.000 0.430 753 G N 1.092 109.926 108.800 0.056 0.000 2.617 753 G HA2 -0.051 3.908 3.960 -0.001 0.000 0.686 753 G HA3 -0.051 3.908 3.960 -0.001 0.000 0.686 753 G C -0.989 173.948 174.900 0.062 0.000 1.214 753 G CA -0.548 44.585 45.100 0.055 0.000 0.796 753 G HN 0.499 nan 8.290 nan 0.000 0.654 754 S N -0.484 115.253 115.700 0.063 0.000 2.841 754 S HA 0.731 5.200 4.470 -0.001 0.000 0.318 754 S C 0.769 175.439 174.600 0.117 0.000 1.127 754 S CA 0.091 58.346 58.200 0.092 0.000 0.883 754 S CB 1.554 64.806 63.200 0.086 0.000 1.271 754 S HN 1.408 nan 8.310 nan 0.000 0.567 755 F N 1.820 121.781 119.950 0.018 0.000 2.113 755 F HA 0.003 4.529 4.527 -0.001 0.000 0.297 755 F C 1.797 177.608 175.800 0.018 0.000 1.103 755 F CA 1.476 59.486 58.000 0.016 0.000 1.248 755 F CB -0.347 38.658 39.000 0.008 0.000 0.999 755 F HN 0.427 nan 8.300 nan 0.000 0.475 756 I N 1.173 121.627 120.570 -0.193 0.000 2.315 756 I HA -0.349 3.820 4.170 -0.001 0.000 0.251 756 I C 1.913 177.898 176.117 -0.221 0.000 1.125 756 I CA 1.369 62.502 61.300 -0.278 0.000 1.392 756 I CB -1.432 36.535 38.000 -0.055 0.000 1.065 756 I HN 0.314 nan 8.210 nan 0.000 0.424 757 N N 1.034 119.669 118.700 -0.109 0.000 2.106 757 N HA -0.102 4.637 4.740 -0.001 0.000 0.188 757 N C 1.921 177.393 175.510 -0.064 0.000 1.029 757 N CA 1.103 54.129 53.050 -0.042 0.000 0.848 757 N CB -0.155 38.334 38.487 0.004 0.000 1.007 757 N HN 0.248 nan 8.380 nan 0.000 0.423 758 I N 1.757 122.267 120.570 -0.099 0.000 2.118 758 I HA -0.253 3.916 4.170 -0.001 0.000 0.241 758 I C 2.452 178.469 176.117 -0.168 0.000 1.070 758 I CA 1.042 62.285 61.300 -0.094 0.000 1.327 758 I CB -1.603 36.360 38.000 -0.061 0.000 1.034 758 I HN 0.014 nan 8.210 nan 0.000 0.405 759 A N 0.629 123.230 122.820 -0.366 0.000 1.884 759 A HA -0.277 4.042 4.320 -0.001 0.000 0.219 759 A C 2.263 179.708 177.584 -0.231 0.000 1.197 759 A CA 2.138 53.943 52.037 -0.387 0.000 0.637 759 A CB -0.829 17.787 19.000 -0.639 0.000 0.827 759 A HN 0.610 nan 8.150 nan 0.000 0.450 760 Q N -1.611 118.076 119.800 -0.188 0.000 2.269 760 Q HA 0.106 4.446 4.340 -0.001 0.000 0.201 760 Q C 2.126 178.048 176.000 -0.130 0.000 0.946 760 Q CA 0.952 56.637 55.803 -0.196 0.000 0.877 760 Q CB -0.094 28.601 28.738 -0.072 0.000 0.963 760 Q HN 0.726 nan 8.270 nan 0.000 0.472 761 M N -0.115 119.500 119.600 0.026 0.000 2.319 761 M HA -0.087 4.393 4.480 -0.001 0.000 0.265 761 M C 1.883 178.188 176.300 0.009 0.000 1.068 761 M CA 1.438 56.794 55.300 0.094 0.000 1.118 761 M CB 0.256 32.911 32.600 0.091 0.000 1.395 761 M HN 0.168 nan 8.290 nan 0.000 0.435 762 S N -2.152 113.523 115.700 -0.042 0.000 2.648 762 S HA 0.363 4.832 4.470 -0.001 0.000 0.270 762 S C 1.281 175.853 174.600 -0.046 0.000 1.080 762 S CA 0.048 58.229 58.200 -0.031 0.000 1.159 762 S CB 0.282 63.476 63.200 -0.010 0.000 1.091 762 S HN 0.244 nan 8.310 nan 0.000 0.605 763 A N 0.864 123.639 122.820 -0.075 0.000 1.997 763 A HA 0.696 5.015 4.320 -0.001 0.000 0.214 763 A C 0.851 178.374 177.584 -0.101 0.000 1.458 763 A CA 0.653 52.650 52.037 -0.066 0.000 0.692 763 A CB -0.172 18.794 19.000 -0.058 0.000 1.145 763 A HN 1.279 nan 8.150 nan 0.000 0.515 764 C N -1.411 117.795 119.300 -0.157 0.000 3.135 764 C HA 0.452 4.911 4.460 -0.001 0.000 0.428 764 C C 1.272 176.081 174.990 -0.302 0.000 0.972 764 C CA -0.242 58.647 59.018 -0.215 0.000 1.218 764 C CB 0.300 27.954 27.740 -0.144 0.000 1.595 764 C HN 0.455 nan 8.230 nan 0.000 0.576 765 V N 5.362 125.020 119.914 -0.425 0.000 2.427 765 V HA 0.328 4.447 4.120 -0.001 0.000 0.248 765 V C 1.908 177.780 176.094 -0.370 0.000 1.051 765 V CA 2.873 64.873 62.300 -0.499 0.000 1.048 765 V CB -1.078 30.315 31.823 -0.717 0.000 0.666 765 V HN 2.012 nan 8.190 nan 0.000 0.456 766 G N -0.594 107.938 108.800 -0.447 0.000 2.526 766 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.250 766 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.250 766 G C -0.545 174.173 174.900 -0.302 0.000 1.289 766 G CA -0.035 44.849 45.100 -0.359 0.000 0.947 766 G HN 0.491 nan 8.290 nan 0.000 0.517 767 Q N -0.198 119.641 119.800 0.066 0.000 2.332 767 Q HA 0.588 4.927 4.340 -0.001 0.000 0.263 767 Q C 0.202 176.235 176.000 0.054 0.000 0.979 767 Q CA 0.338 56.239 55.803 0.163 0.000 0.885 767 Q CB 0.936 29.817 28.738 0.238 0.000 1.218 767 Q HN 0.616 nan 8.270 nan 0.000 0.405 768 Q N 1.237 121.066 119.800 0.048 0.000 2.222 768 Q HA 0.670 5.010 4.340 -0.001 0.000 0.252 768 Q C -1.340 174.691 176.000 0.051 0.000 0.926 768 Q CA -0.085 55.754 55.803 0.060 0.000 0.899 768 Q CB 1.844 30.636 28.738 0.090 0.000 1.250 768 Q HN 0.745 nan 8.270 nan 0.000 0.441 769 S N 0.307 116.040 115.700 0.055 0.000 2.533 769 S HA 0.818 5.287 4.470 -0.001 0.000 0.271 769 S C -1.445 173.172 174.600 0.028 0.000 1.143 769 S CA -0.732 57.491 58.200 0.038 0.000 0.891 769 S CB 1.128 64.358 63.200 0.049 0.000 1.105 769 S HN 0.258 nan 8.310 nan 0.000 0.468 770 V N 2.220 122.142 119.914 0.014 0.000 2.735 770 V HA 0.706 4.825 4.120 -0.001 0.000 0.310 770 V C 0.204 176.296 176.094 -0.004 0.000 1.061 770 V CA -0.513 61.788 62.300 0.001 0.000 0.913 770 V CB 1.229 33.052 31.823 0.001 0.000 1.005 770 V HN 1.190 nan 8.190 nan 0.000 0.428 771 E N 2.886 123.075 120.200 -0.018 0.000 2.586 771 E HA -0.225 4.124 4.350 -0.001 0.000 0.259 771 E C 1.167 177.756 176.600 -0.018 0.000 1.107 771 E CA 1.619 58.004 56.400 -0.026 0.000 0.754 771 E CB -1.348 28.343 29.700 -0.016 0.000 1.335 771 E HN 1.817 nan 8.360 nan 0.000 0.411 772 G N -1.141 107.653 108.800 -0.010 0.000 2.175 772 G HA2 -0.409 3.550 3.960 -0.001 0.000 0.265 772 G HA3 -0.409 3.550 3.960 -0.001 0.000 0.265 772 G C 0.356 175.287 174.900 0.051 0.000 0.979 772 G CA 1.035 46.152 45.100 0.028 0.000 0.663 772 G HN 0.402 nan 8.290 nan 0.000 0.533 773 K N -0.123 120.292 120.400 0.026 0.000 2.350 773 K HA 0.575 4.894 4.320 -0.001 0.000 0.241 773 K C 0.930 177.532 176.600 0.004 0.000 0.994 773 K CA -1.072 55.225 56.287 0.016 0.000 0.839 773 K CB 1.431 33.932 32.500 0.002 0.000 1.244 773 K HN 0.381 nan 8.250 nan 0.000 0.443 774 R N 0.923 121.417 120.500 -0.011 0.000 2.726 774 R HA 0.225 4.564 4.340 -0.001 0.000 0.272 774 R C 0.205 176.472 176.300 -0.055 0.000 1.097 774 R CA -0.667 55.416 56.100 -0.028 0.000 1.198 774 R CB 0.002 30.282 30.300 -0.034 0.000 1.114 774 R HN 0.351 nan 8.270 nan 0.000 0.550 775 I N 0.943 121.461 120.570 -0.087 0.000 2.880 775 I HA -0.086 4.083 4.170 -0.001 0.000 0.296 775 I C 0.847 176.936 176.117 -0.047 0.000 1.220 775 I CA 0.388 61.646 61.300 -0.070 0.000 1.435 775 I CB -0.171 37.720 38.000 -0.182 0.000 1.339 775 I HN 0.776 nan 8.210 nan 0.000 0.583 776 A N 7.176 130.012 122.820 0.026 0.000 2.302 776 A HA 0.438 4.758 4.320 -0.001 0.000 0.285 776 A C -0.096 177.599 177.584 0.185 0.000 1.105 776 A CA -0.540 51.508 52.037 0.019 0.000 0.816 776 A CB 0.192 19.215 19.000 0.039 0.000 1.067 776 A HN 0.587 nan 8.150 nan 0.000 0.489 777 F N 2.185 122.163 119.950 0.045 0.000 2.552 777 F HA 0.133 4.659 4.527 -0.002 0.000 0.342 777 F C 1.668 177.513 175.800 0.075 0.000 1.257 777 F CA -0.154 57.889 58.000 0.071 0.000 1.058 777 F CB 0.405 39.427 39.000 0.037 0.000 1.288 777 F HN 0.848 nan 8.300 nan 0.000 0.627 778 G N 3.972 112.923 108.800 0.252 0.000 2.395 778 G HA2 -0.087 3.872 3.960 -0.001 0.000 0.214 778 G HA3 -0.087 3.872 3.960 -0.001 0.000 0.214 778 G C 0.329 175.179 174.900 -0.083 0.000 1.177 778 G CA -0.080 45.039 45.100 0.032 0.000 0.794 778 G HN 0.322 nan 8.290 nan 0.000 0.532 779 F N 0.319 120.354 119.950 0.142 0.000 2.410 779 F HA 0.390 4.916 4.527 -0.002 0.000 0.334 779 F C 0.705 176.532 175.800 0.045 0.000 1.134 779 F CA -0.895 57.151 58.000 0.077 0.000 1.227 779 F CB 1.164 40.196 39.000 0.053 0.000 1.194 779 F HN -0.267 nan 8.300 nan 0.000 0.571 780 V N 3.310 123.344 119.914 0.200 0.000 2.434 780 V HA -0.066 4.053 4.120 -0.001 0.000 0.281 780 V C -0.108 175.979 176.094 -0.012 0.000 1.005 780 V CA 0.553 62.911 62.300 0.098 0.000 1.089 780 V CB -0.421 31.450 31.823 0.081 0.000 0.978 780 V HN 0.852 nan 8.190 nan 0.000 0.474 781 D N 3.015 123.359 120.400 -0.093 0.000 3.041 781 D HA -0.178 4.462 4.640 -0.001 0.000 0.220 781 D C 0.372 176.020 176.300 -1.088 0.000 1.157 781 D CA 1.539 55.257 54.000 -0.470 0.000 0.876 781 D CB -0.593 40.089 40.800 -0.196 0.000 1.107 781 D HN 0.932 nan 8.370 nan 0.000 0.422 782 R N -3.163 116.842 120.500 -0.826 0.000 2.712 782 R HA 0.592 4.931 4.340 -0.001 0.000 0.272 782 R C 0.992 177.360 176.300 0.113 0.000 1.032 782 R CA -0.388 55.375 56.100 -0.561 0.000 0.874 782 R CB 0.400 30.611 30.300 -0.148 0.000 1.256 782 R HN -0.089 nan 8.270 nan 0.000 0.468 783 T N -1.502 113.290 114.554 0.397 0.000 3.010 783 T HA 0.293 4.642 4.350 -0.001 0.000 0.252 783 T C 0.693 175.897 174.700 0.840 0.000 1.047 783 T CA 0.317 62.797 62.100 0.633 0.000 1.140 783 T CB 0.073 69.301 68.868 0.599 0.000 0.885 783 T HN 0.313 nan 8.240 nan 0.000 0.464 784 L N 1.112 122.844 121.223 0.848 0.000 2.350 784 L HA 0.475 4.814 4.340 -0.001 0.000 0.260 784 L C -2.236 174.705 176.870 0.118 0.000 1.015 784 L CA -2.805 52.405 54.840 0.616 0.000 0.821 784 L CB 2.698 45.099 42.059 0.571 0.000 1.370 784 L HN -0.184 nan 8.230 nan 0.000 0.416 785 P HA 0.040 nan 4.420 nan 0.000 0.255 785 P C 0.394 177.350 177.300 -0.573 0.000 1.357 785 P CA 0.550 63.263 63.100 -0.646 0.000 0.839 785 P CB -0.077 31.026 31.700 -0.995 0.000 1.356 786 H N -1.638 117.235 119.070 -0.328 0.000 2.551 786 H HA 0.259 4.814 4.556 -0.002 0.000 0.271 786 H C 0.257 175.323 175.328 -0.437 0.000 0.984 786 H CA 0.060 55.863 56.048 -0.407 0.000 1.164 786 H CB 0.065 29.507 29.762 -0.534 0.000 1.437 786 H HN 0.206 nan 8.280 nan 0.000 0.550 787 F N 0.213 120.197 119.950 0.056 0.000 2.575 787 F HA 0.309 4.835 4.527 -0.001 0.000 0.330 787 F C 0.758 176.539 175.800 -0.032 0.000 1.056 787 F CA -1.084 56.942 58.000 0.043 0.000 0.964 787 F CB 1.708 40.757 39.000 0.081 0.000 1.258 787 F HN -0.167 nan 8.300 nan 0.000 0.484 788 S N 0.154 115.988 115.700 0.223 0.000 2.686 788 S HA 0.334 4.803 4.470 -0.001 0.000 0.270 788 S C -0.436 174.155 174.600 -0.014 0.000 1.194 788 S CA -0.889 57.353 58.200 0.071 0.000 0.990 788 S CB 0.773 64.014 63.200 0.068 0.000 1.029 788 S HN 0.368 nan 8.310 nan 0.000 0.560 789 K N 1.154 121.521 120.400 -0.056 0.000 2.144 789 K HA 0.212 4.531 4.320 -0.001 0.000 0.270 789 K C -0.740 175.787 176.600 -0.122 0.000 1.005 789 K CA -0.351 55.851 56.287 -0.141 0.000 0.932 789 K CB 0.353 32.794 32.500 -0.099 0.000 1.021 789 K HN 0.501 nan 8.250 nan 0.000 0.462 790 D N 1.340 121.606 120.400 -0.223 0.000 2.870 790 D HA -0.173 4.466 4.640 -0.001 0.000 0.228 790 D C -0.637 175.674 176.300 0.018 0.000 1.147 790 D CA 1.112 55.096 54.000 -0.027 0.000 0.757 790 D CB -0.896 39.982 40.800 0.130 0.000 1.091 790 D HN 0.564 nan 8.370 nan 0.000 0.429 791 D N -0.405 119.919 120.400 -0.127 0.000 2.347 791 D HA 0.169 4.808 4.640 -0.001 0.000 0.235 791 D C 0.227 176.473 176.300 -0.091 0.000 1.149 791 D CA -0.334 53.637 54.000 -0.047 0.000 0.850 791 D CB 0.166 40.909 40.800 -0.095 0.000 1.061 791 D HN 0.129 nan 8.370 nan 0.000 0.487 792 Y N 1.446 121.828 120.300 0.136 0.000 2.507 792 Y HA 0.108 4.658 4.550 -0.001 0.000 0.254 792 Y C 1.328 177.297 175.900 0.114 0.000 1.171 792 Y CA -0.414 57.784 58.100 0.164 0.000 1.238 792 Y CB 0.235 38.818 38.460 0.205 0.000 1.148 792 Y HN 0.281 nan 8.280 nan 0.000 0.525 793 S N 0.396 116.184 115.700 0.147 0.000 2.589 793 S HA 0.056 4.525 4.470 -0.001 0.000 0.265 793 S C -1.583 173.031 174.600 0.023 0.000 1.342 793 S CA -1.099 57.154 58.200 0.088 0.000 1.005 793 S CB 0.732 63.966 63.200 0.057 0.000 0.909 793 S HN -0.021 nan 8.310 nan 0.000 0.555 794 P HA -0.249 nan 4.420 nan 0.000 0.213 794 P C 1.748 179.098 177.300 0.082 0.000 1.176 794 P CA 1.841 64.940 63.100 -0.002 0.000 0.919 794 P CB -0.233 31.408 31.700 -0.099 0.000 0.791 795 E N 0.137 120.410 120.200 0.122 0.000 2.118 795 E HA -0.171 4.178 4.350 -0.001 0.000 0.195 795 E C 2.116 178.721 176.600 0.007 0.000 0.992 795 E CA 1.714 58.212 56.400 0.164 0.000 0.804 795 E CB -1.433 28.412 29.700 0.240 0.000 0.741 795 E HN 0.200 nan 8.360 nan 0.000 0.458 796 S N 0.814 116.352 115.700 -0.271 0.000 2.400 796 S HA -0.102 4.367 4.470 -0.001 0.000 0.232 796 S C 1.437 175.754 174.600 -0.470 0.000 1.025 796 S CA 1.221 58.968 58.200 -0.755 0.000 0.993 796 S CB -0.041 62.757 63.200 -0.671 0.000 0.808 796 S HN 0.332 nan 8.310 nan 0.000 0.478 797 K N -0.663 119.543 120.400 -0.324 0.000 2.506 797 K HA 0.344 4.663 4.320 -0.001 0.000 0.204 797 K C 0.695 177.062 176.600 -0.388 0.000 1.045 797 K CA 0.442 56.527 56.287 -0.337 0.000 1.074 797 K CB 1.062 33.471 32.500 -0.152 0.000 0.842 797 K HN 0.376 nan 8.250 nan 0.000 0.514 798 G N 1.348 109.889 108.800 -0.432 0.000 2.273 798 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.162 798 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.162 798 G C -0.370 174.542 174.900 0.020 0.000 1.006 798 G CA -0.769 44.154 45.100 -0.296 0.000 0.704 798 G HN 0.224 nan 8.290 nan 0.000 0.487 799 F N 1.880 121.787 119.950 -0.072 0.000 2.484 799 F HA 0.548 5.074 4.527 -0.001 0.000 0.360 799 F C 0.563 176.382 175.800 0.031 0.000 1.101 799 F CA -0.193 57.797 58.000 -0.016 0.000 1.251 799 F CB 1.542 40.534 39.000 -0.013 0.000 1.132 799 F HN -0.039 nan 8.300 nan 0.000 0.570 800 V N 7.191 126.732 119.914 -0.623 0.000 2.271 800 V HA 0.089 4.208 4.120 -0.001 0.000 0.259 800 V C 0.998 176.824 176.094 -0.446 0.000 1.030 800 V CA -0.457 61.629 62.300 -0.356 0.000 0.957 800 V CB 0.519 32.163 31.823 -0.298 0.000 1.186 800 V HN 0.844 nan 8.190 nan 0.000 0.471 801 E N 1.689 121.717 120.200 -0.286 0.000 2.394 801 E HA -0.156 4.194 4.350 -0.001 0.000 0.202 801 E C 0.636 177.133 176.600 -0.172 0.000 1.029 801 E CA 0.759 57.042 56.400 -0.194 0.000 0.855 801 E CB 0.323 30.051 29.700 0.047 0.000 0.770 801 E HN 0.638 nan 8.360 nan 0.000 0.527 802 N N -0.227 118.364 118.700 -0.181 0.000 2.502 802 N HA 0.149 4.889 4.740 -0.001 0.000 0.280 802 N C -0.374 174.998 175.510 -0.230 0.000 1.223 802 N CA -0.152 52.813 53.050 -0.141 0.000 0.966 802 N CB 1.754 40.197 38.487 -0.073 0.000 1.203 802 N HN -0.058 nan 8.380 nan 0.000 0.565 803 S N -0.985 114.600 115.700 -0.190 0.000 2.648 803 S HA 0.378 4.847 4.470 -0.001 0.000 0.305 803 S C 0.780 175.255 174.600 -0.208 0.000 1.094 803 S CA -0.651 57.389 58.200 -0.268 0.000 0.983 803 S CB 0.628 63.735 63.200 -0.156 0.000 1.101 803 S HN 0.566 nan 8.310 nan 0.000 0.514 804 Y N 0.125 120.399 120.300 -0.043 0.000 2.241 804 Y HA -0.150 4.399 4.550 -0.001 0.000 0.286 804 Y C 2.290 178.191 175.900 0.001 0.000 1.166 804 Y CA 1.209 59.304 58.100 -0.009 0.000 1.203 804 Y CB -0.361 38.098 38.460 -0.002 0.000 0.977 804 Y HN 0.615 nan 8.280 nan 0.000 0.529 805 L N 0.398 121.684 121.223 0.106 0.000 2.046 805 L HA -0.197 4.142 4.340 -0.001 0.000 0.208 805 L C 2.335 179.229 176.870 0.039 0.000 1.077 805 L CA 1.792 56.668 54.840 0.060 0.000 0.747 805 L CB -0.356 41.722 42.059 0.033 0.000 0.896 805 L HN 0.047 nan 8.230 nan 0.000 0.432 806 R N -0.360 120.150 120.500 0.017 0.000 2.153 806 R HA 0.209 4.548 4.340 -0.001 0.000 0.218 806 R C 0.423 176.738 176.300 0.025 0.000 1.072 806 R CA 0.614 56.721 56.100 0.012 0.000 0.990 806 R CB -0.195 30.101 30.300 -0.008 0.000 0.889 806 R HN 0.551 nan 8.270 nan 0.000 0.452 807 G N 0.945 109.770 108.800 0.043 0.000 2.895 807 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.686 807 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.686 807 G C -0.954 173.987 174.900 0.068 0.000 1.108 807 G CA -1.025 44.120 45.100 0.075 0.000 0.761 807 G HN 0.007 nan 8.290 nan 0.000 0.611 808 L N 1.733 123.032 121.223 0.127 0.000 2.467 808 L HA 0.530 4.869 4.340 -0.001 0.000 0.270 808 L C 1.881 178.827 176.870 0.127 0.000 1.205 808 L CA 0.759 55.686 54.840 0.145 0.000 0.828 808 L CB 0.688 42.918 42.059 0.284 0.000 1.101 808 L HN 0.988 nan 8.230 nan 0.000 0.479 809 T N -0.083 114.542 114.554 0.118 0.000 2.849 809 T HA 0.310 4.659 4.350 -0.001 0.000 0.284 809 T C -1.854 172.914 174.700 0.115 0.000 1.004 809 T CA -1.584 60.569 62.100 0.088 0.000 1.021 809 T CB 0.737 69.655 68.868 0.083 0.000 1.013 809 T HN 0.401 nan 8.240 nan 0.000 0.527 810 P HA -0.202 nan 4.420 nan 0.000 0.216 810 P C 1.709 179.032 177.300 0.038 0.000 1.167 810 P CA 1.407 64.507 63.100 -0.001 0.000 0.914 810 P CB 0.005 31.639 31.700 -0.110 0.000 0.793 811 Q N -0.492 119.292 119.800 -0.027 0.000 2.002 811 Q HA -0.206 4.133 4.340 -0.001 0.000 0.204 811 Q C 2.225 178.250 176.000 0.042 0.000 0.988 811 Q CA 1.768 57.534 55.803 -0.061 0.000 0.843 811 Q CB -0.830 28.009 28.738 0.168 0.000 0.908 811 Q HN 0.350 nan 8.270 nan 0.000 0.420 812 E N -0.504 119.854 120.200 0.262 0.000 2.130 812 E HA -0.222 4.127 4.350 -0.001 0.000 0.196 812 E C 1.617 178.385 176.600 0.282 0.000 0.998 812 E CA 1.086 57.684 56.400 0.330 0.000 0.806 812 E CB -0.199 29.631 29.700 0.218 0.000 0.738 812 E HN 0.290 nan 8.360 nan 0.000 0.459 813 F N 0.109 120.135 119.950 0.126 0.000 2.102 813 F HA -0.212 4.314 4.527 -0.002 0.000 0.298 813 F C 1.955 177.842 175.800 0.146 0.000 1.105 813 F CA 1.261 59.348 58.000 0.146 0.000 1.239 813 F CB -0.273 38.788 39.000 0.101 0.000 0.991 813 F HN -0.005 nan 8.300 nan 0.000 0.474 814 F N 0.206 120.170 119.950 0.023 0.000 2.134 814 F HA -0.185 4.341 4.527 -0.002 0.000 0.299 814 F C 2.011 177.716 175.800 -0.158 0.000 1.097 814 F CA 1.621 59.533 58.000 -0.147 0.000 1.264 814 F CB -1.000 37.869 39.000 -0.220 0.000 1.001 814 F HN 0.010 nan 8.300 nan 0.000 0.479 815 F N -1.207 118.786 119.950 0.072 0.000 2.171 815 F HA -0.241 4.285 4.527 -0.001 0.000 0.300 815 F C 2.639 178.399 175.800 -0.067 0.000 1.090 815 F CA 1.442 59.430 58.000 -0.019 0.000 1.293 815 F CB -0.747 38.323 39.000 0.116 0.000 1.013 815 F HN 0.087 nan 8.300 nan 0.000 0.486 816 H N 0.446 119.517 119.070 0.002 0.000 2.395 816 H HA 0.031 4.586 4.556 -0.001 0.000 0.299 816 H C 2.050 177.263 175.328 -0.191 0.000 1.070 816 H CA 1.061 57.069 56.048 -0.067 0.000 1.356 816 H CB -0.431 29.295 29.762 -0.059 0.000 1.401 816 H HN 0.113 nan 8.280 nan 0.000 0.524 817 A N 0.836 123.395 122.820 -0.434 0.000 1.892 817 A HA -0.224 4.095 4.320 -0.001 0.000 0.218 817 A C 2.561 179.918 177.584 -0.378 0.000 1.188 817 A CA 2.103 53.834 52.037 -0.511 0.000 0.631 817 A CB -0.818 17.865 19.000 -0.529 0.000 0.822 817 A HN 0.521 nan 8.150 nan 0.000 0.447 818 M N -0.698 118.666 119.600 -0.395 0.000 2.159 818 M HA -0.111 4.368 4.480 -0.001 0.000 0.263 818 M C 2.274 178.494 176.300 -0.133 0.000 1.063 818 M CA 1.429 56.564 55.300 -0.276 0.000 1.110 818 M CB -0.543 31.918 32.600 -0.232 0.000 1.374 818 M HN 0.527 nan 8.290 nan 0.000 0.411 819 G N -0.331 108.424 108.800 -0.075 0.000 2.402 819 G HA2 -0.104 3.855 3.960 -0.001 0.000 0.216 819 G HA3 -0.104 3.855 3.960 -0.001 0.000 0.216 819 G C 1.511 176.378 174.900 -0.054 0.000 1.162 819 G CA 0.876 45.968 45.100 -0.014 0.000 0.777 819 G HN 0.554 nan 8.290 nan 0.000 0.539 820 G N 0.654 109.367 108.800 -0.146 0.000 2.421 820 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.216 820 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.216 820 G C 1.822 176.650 174.900 -0.121 0.000 1.171 820 G CA 1.156 46.155 45.100 -0.168 0.000 0.775 820 G HN 0.475 nan 8.290 nan 0.000 0.543 821 R N 0.702 121.122 120.500 -0.134 0.000 2.096 821 R HA -0.107 4.232 4.340 -0.001 0.000 0.240 821 R C 2.376 178.634 176.300 -0.069 0.000 1.139 821 R CA 2.040 58.082 56.100 -0.097 0.000 0.952 821 R CB -0.561 29.680 30.300 -0.098 0.000 0.854 821 R HN 0.483 nan 8.270 nan 0.000 0.436 822 E N -1.051 119.112 120.200 -0.062 0.000 2.160 822 E HA -0.157 4.192 4.350 -0.001 0.000 0.195 822 E C 1.680 178.257 176.600 -0.038 0.000 0.991 822 E CA 1.305 57.678 56.400 -0.044 0.000 0.810 822 E CB -0.278 29.400 29.700 -0.035 0.000 0.742 822 E HN 0.602 nan 8.360 nan 0.000 0.466 823 G N 1.135 109.914 108.800 -0.036 0.000 2.402 823 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.216 823 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.216 823 G C 1.599 176.479 174.900 -0.032 0.000 1.162 823 G CA 0.389 45.472 45.100 -0.027 0.000 0.777 823 G HN 0.182 nan 8.290 nan 0.000 0.539 824 L N 0.513 121.711 121.223 -0.042 0.000 2.083 824 L HA -0.082 4.257 4.340 -0.001 0.000 0.209 824 L C 2.842 179.691 176.870 -0.035 0.000 1.083 824 L CA 0.442 55.258 54.840 -0.039 0.000 0.752 824 L CB -0.451 41.580 42.059 -0.046 0.000 0.899 824 L HN 0.133 nan 8.230 nan 0.000 0.433 825 I N 0.994 121.542 120.570 -0.036 0.000 2.099 825 I HA -0.282 3.887 4.170 -0.001 0.000 0.239 825 I C 2.063 178.161 176.117 -0.031 0.000 1.066 825 I CA 1.835 63.115 61.300 -0.033 0.000 1.324 825 I CB -1.321 36.658 38.000 -0.035 0.000 1.037 825 I HN 0.436 nan 8.210 nan 0.000 0.401 826 D N -0.626 119.754 120.400 -0.033 0.000 2.349 826 D HA -0.067 4.572 4.640 -0.001 0.000 0.224 826 D C 1.641 177.924 176.300 -0.029 0.000 1.029 826 D CA 0.486 54.466 54.000 -0.033 0.000 0.879 826 D CB -0.728 40.047 40.800 -0.042 0.000 0.906 826 D HN 0.221 nan 8.370 nan 0.000 0.528 827 T N 0.035 114.574 114.554 -0.026 0.000 2.857 827 T HA 0.054 4.403 4.350 -0.001 0.000 0.266 827 T C 2.073 176.760 174.700 -0.023 0.000 1.048 827 T CA 1.243 63.329 62.100 -0.023 0.000 1.139 827 T CB -0.176 68.679 68.868 -0.022 0.000 0.874 827 T HN 0.366 nan 8.240 nan 0.000 0.455 828 A N 0.857 123.662 122.820 -0.024 0.000 2.014 828 A HA 0.061 4.380 4.320 -0.001 0.000 0.218 828 A C 2.442 180.013 177.584 -0.022 0.000 1.163 828 A CA 0.894 52.917 52.037 -0.023 0.000 0.652 828 A CB -0.625 18.360 19.000 -0.025 0.000 0.808 828 A HN 0.365 nan 8.150 nan 0.000 0.449 829 V N -0.658 119.242 119.914 -0.022 0.000 2.649 829 V HA -0.099 4.020 4.120 -0.001 0.000 0.248 829 V C 2.383 178.468 176.094 -0.014 0.000 1.054 829 V CA 1.985 64.273 62.300 -0.020 0.000 1.073 829 V CB -0.379 31.430 31.823 -0.023 0.000 0.699 829 V HN 0.468 nan 8.190 nan 0.000 0.463 830 K N 1.006 121.395 120.400 -0.017 0.000 2.002 830 K HA -0.167 4.152 4.320 -0.001 0.000 0.209 830 K C 2.344 178.939 176.600 -0.007 0.000 1.048 830 K CA 2.036 58.314 56.287 -0.014 0.000 0.930 830 K CB -0.639 31.849 32.500 -0.020 0.000 0.714 830 K HN 0.661 nan 8.250 nan 0.000 0.438 831 T N -1.711 112.836 114.554 -0.011 0.000 2.833 831 T HA -0.079 4.270 4.350 -0.001 0.000 0.269 831 T C 1.927 176.627 174.700 0.001 0.000 1.054 831 T CA 1.120 63.215 62.100 -0.009 0.000 1.135 831 T CB -0.373 68.486 68.868 -0.016 0.000 0.869 831 T HN 0.159 nan 8.240 nan 0.000 0.466 832 A N 1.554 124.373 122.820 -0.000 0.000 1.855 832 A HA 0.004 4.323 4.320 -0.001 0.000 0.215 832 A C 2.305 179.914 177.584 0.042 0.000 1.191 832 A CA 1.749 53.788 52.037 0.005 0.000 0.613 832 A CB -0.925 18.068 19.000 -0.012 0.000 0.829 832 A HN 0.565 nan 8.150 nan 0.000 0.442 833 E N -0.409 119.817 120.200 0.043 0.000 2.023 833 E HA -0.163 4.186 4.350 -0.001 0.000 0.196 833 E C 2.249 178.901 176.600 0.087 0.000 1.003 833 E CA 2.338 58.784 56.400 0.077 0.000 0.809 833 E CB -0.268 29.457 29.700 0.041 0.000 0.755 833 E HN 0.744 nan 8.360 nan 0.000 0.449 834 T N -2.445 112.134 114.554 0.041 0.000 2.962 834 T HA -0.054 4.295 4.350 -0.001 0.000 0.270 834 T C 1.945 176.669 174.700 0.039 0.000 1.088 834 T CA 0.899 63.013 62.100 0.023 0.000 1.127 834 T CB -0.501 68.363 68.868 -0.006 0.000 0.883 834 T HN 0.228 nan 8.240 nan 0.000 0.493 835 G N -0.365 108.470 108.800 0.058 0.000 2.421 835 G HA2 -0.133 3.826 3.960 -0.001 0.000 0.217 835 G HA3 -0.133 3.826 3.960 -0.001 0.000 0.217 835 G C 1.324 176.313 174.900 0.148 0.000 1.143 835 G CA 0.378 45.518 45.100 0.067 0.000 0.784 835 G HN 0.482 nan 8.290 nan 0.000 0.541 836 Y N 1.076 121.379 120.300 0.005 0.000 2.243 836 Y HA 0.082 4.631 4.550 -0.001 0.000 0.293 836 Y C 2.545 178.473 175.900 0.046 0.000 1.124 836 Y CA -0.339 57.778 58.100 0.028 0.000 1.159 836 Y CB -0.183 38.292 38.460 0.025 0.000 1.008 836 Y HN 0.038 nan 8.280 nan 0.000 0.527 837 I N 0.549 121.129 120.570 0.017 0.000 2.118 837 I HA -0.344 3.825 4.170 -0.001 0.000 0.241 837 I C 2.506 178.578 176.117 -0.075 0.000 1.070 837 I CA 1.534 62.783 61.300 -0.086 0.000 1.327 837 I CB -1.370 36.606 38.000 -0.040 0.000 1.034 837 I HN 0.310 nan 8.210 nan 0.000 0.405 838 Q N 0.533 120.316 119.800 -0.027 0.000 2.077 838 Q HA -0.256 4.083 4.340 -0.001 0.000 0.206 838 Q C 2.444 178.430 176.000 -0.024 0.000 0.989 838 Q CA 1.880 57.663 55.803 -0.035 0.000 0.853 838 Q CB -0.242 28.482 28.738 -0.023 0.000 0.907 838 Q HN 0.432 nan 8.270 nan 0.000 0.418 839 R N -0.018 120.506 120.500 0.039 0.000 2.083 839 R HA -0.147 4.192 4.340 -0.001 0.000 0.237 839 R C 2.351 178.692 176.300 0.069 0.000 1.137 839 R CA 1.654 57.812 56.100 0.097 0.000 0.951 839 R CB -0.004 30.430 30.300 0.224 0.000 0.851 839 R HN 0.137 nan 8.270 nan 0.000 0.434 840 R N 0.115 120.617 120.500 0.003 0.000 2.075 840 R HA -0.075 4.264 4.340 -0.001 0.000 0.232 840 R C 2.408 178.534 176.300 -0.290 0.000 1.126 840 R CA 1.478 57.527 56.100 -0.085 0.000 0.963 840 R CB -0.388 29.837 30.300 -0.126 0.000 0.858 840 R HN 0.219 nan 8.270 nan 0.000 0.435 841 L N -0.066 121.025 121.223 -0.222 0.000 1.989 841 L HA -0.236 4.103 4.340 -0.001 0.000 0.211 841 L C 2.337 179.053 176.870 -0.257 0.000 1.071 841 L CA 1.308 56.002 54.840 -0.244 0.000 0.749 841 L CB -0.612 41.353 42.059 -0.156 0.000 0.890 841 L HN 0.051 nan 8.230 nan 0.000 0.431 842 V N -0.432 119.380 119.914 -0.169 0.000 2.324 842 V HA -0.296 3.824 4.120 -0.001 0.000 0.250 842 V C 2.515 178.500 176.094 -0.181 0.000 1.060 842 V CA 1.642 63.859 62.300 -0.138 0.000 1.042 842 V CB -0.554 31.227 31.823 -0.070 0.000 0.650 842 V HN 0.373 nan 8.190 nan 0.000 0.450 843 K N -0.270 119.999 120.400 -0.218 0.000 2.366 843 K HA 0.138 4.457 4.320 -0.001 0.000 0.198 843 K C 1.920 178.219 176.600 -0.501 0.000 1.044 843 K CA 1.127 57.277 56.287 -0.228 0.000 0.973 843 K CB -0.152 32.301 32.500 -0.078 0.000 0.767 843 K HN 0.503 nan 8.250 nan 0.000 0.475 844 A N -0.014 122.302 122.820 -0.839 0.000 2.220 844 A HA 0.145 4.464 4.320 -0.001 0.000 0.211 844 A C 1.775 179.027 177.584 -0.554 0.000 1.176 844 A CA 0.263 51.543 52.037 -1.262 0.000 0.834 844 A CB 0.079 17.925 19.000 -1.923 0.000 0.868 844 A HN 0.157 nan 8.150 nan 0.000 0.488 845 L N -2.468 118.543 121.223 -0.353 0.000 2.577 845 L HA 0.163 4.502 4.340 -0.001 0.000 0.225 845 L C 1.792 178.579 176.870 -0.137 0.000 1.053 845 L CA 0.429 55.148 54.840 -0.202 0.000 0.866 845 L CB -0.483 41.480 42.059 -0.159 0.000 1.132 845 L HN 0.376 nan 8.230 nan 0.000 0.486 846 E N 1.609 121.727 120.200 -0.137 0.000 2.850 846 E HA -0.389 3.960 4.350 -0.001 0.000 0.229 846 E C 0.859 177.419 176.600 -0.067 0.000 0.946 846 E CA 2.663 59.010 56.400 -0.089 0.000 1.521 846 E CB -0.352 29.305 29.700 -0.073 0.000 1.475 846 E HN 0.707 nan 8.360 nan 0.000 0.464 847 D N 0.038 120.406 120.400 -0.053 0.000 2.319 847 D HA -0.003 4.636 4.640 -0.001 0.000 0.230 847 D C 0.517 176.803 176.300 -0.025 0.000 1.094 847 D CA 0.078 54.058 54.000 -0.033 0.000 0.856 847 D CB -0.160 40.633 40.800 -0.011 0.000 0.915 847 D HN 0.080 nan 8.370 nan 0.000 0.517 848 I N 1.946 122.493 120.570 -0.038 0.000 2.396 848 I HA 0.248 4.417 4.170 -0.001 0.000 0.289 848 I C 0.649 176.741 176.117 -0.041 0.000 1.056 848 I CA -0.166 61.120 61.300 -0.022 0.000 1.365 848 I CB 0.165 38.149 38.000 -0.026 0.000 1.407 848 I HN 0.122 nan 8.210 nan 0.000 0.509 849 M N 5.370 124.952 119.600 -0.030 0.000 2.569 849 M HA 0.578 5.057 4.480 -0.001 0.000 0.279 849 M C -1.545 174.707 176.300 -0.081 0.000 1.253 849 M CA -0.896 54.340 55.300 -0.107 0.000 0.867 849 M CB 2.190 34.681 32.600 -0.181 0.000 1.727 849 M HN -0.017 nan 8.290 nan 0.000 0.467 850 V N 3.417 123.231 119.914 -0.166 0.000 2.439 850 V HA 0.228 4.347 4.120 -0.001 0.000 0.271 850 V C 0.379 176.382 176.094 -0.151 0.000 1.040 850 V CA -0.024 62.206 62.300 -0.117 0.000 1.002 850 V CB -0.361 31.345 31.823 -0.194 0.000 1.000 850 V HN 0.753 nan 8.190 nan 0.000 0.477 851 H N 3.182 122.191 119.070 -0.101 0.000 2.437 851 H HA 0.225 4.780 4.556 -0.001 0.000 0.338 851 H C -0.444 174.835 175.328 -0.081 0.000 1.495 851 H CA -0.349 55.641 56.048 -0.097 0.000 1.453 851 H CB 0.944 30.700 29.762 -0.010 0.000 1.707 851 H HN 0.563 nan 8.280 nan 0.000 0.655 852 Y N 1.612 122.013 120.300 0.169 0.000 3.040 852 Y HA -0.020 4.529 4.550 -0.001 0.000 0.392 852 Y C 0.067 176.016 175.900 0.081 0.000 1.105 852 Y CA -0.021 58.134 58.100 0.092 0.000 1.950 852 Y CB -0.235 38.272 38.460 0.079 0.000 2.014 852 Y HN 0.559 nan 8.280 nan 0.000 0.433 853 D N -3.271 117.251 120.400 0.202 0.000 2.902 853 D HA -0.067 4.572 4.640 -0.001 0.000 0.331 853 D C 0.165 176.539 176.300 0.123 0.000 1.519 853 D CA -0.190 53.898 54.000 0.147 0.000 0.925 853 D CB -1.153 39.725 40.800 0.131 0.000 1.620 853 D HN 0.217 nan 8.370 nan 0.000 0.390 854 N N -0.494 118.273 118.700 0.112 0.000 2.857 854 N HA -0.180 4.559 4.740 -0.001 0.000 0.242 854 N C -0.311 175.272 175.510 0.122 0.000 0.983 854 N CA 1.626 54.739 53.050 0.105 0.000 0.934 854 N CB -1.253 37.299 38.487 0.108 0.000 1.115 854 N HN 0.454 nan 8.380 nan 0.000 0.593 855 T N 0.790 115.411 114.554 0.111 0.000 2.919 855 T HA 0.183 4.532 4.350 -0.001 0.000 0.302 855 T C 0.133 174.870 174.700 0.062 0.000 1.031 855 T CA 0.532 62.676 62.100 0.072 0.000 1.127 855 T CB 0.741 69.630 68.868 0.034 0.000 0.952 855 T HN 0.024 nan 8.240 nan 0.000 0.540 856 T N 6.883 121.450 114.554 0.022 0.000 2.744 856 T HA 0.524 4.874 4.350 -0.001 0.000 0.291 856 T C 0.079 174.770 174.700 -0.016 0.000 0.957 856 T CA -0.486 61.641 62.100 0.045 0.000 1.002 856 T CB 0.430 69.345 68.868 0.079 0.000 0.919 856 T HN 0.521 nan 8.240 nan 0.000 0.468 857 R N 2.106 122.637 120.500 0.051 0.000 2.869 857 R HA 0.539 4.878 4.340 -0.001 0.000 0.263 857 R C -0.327 176.003 176.300 0.049 0.000 1.066 857 R CA -1.054 55.038 56.100 -0.014 0.000 0.960 857 R CB 1.240 31.437 30.300 -0.173 0.000 1.221 857 R HN 0.655 nan 8.270 nan 0.000 0.474 858 N N -1.323 117.386 118.700 0.014 0.000 2.992 858 N HA 0.106 4.846 4.740 -0.001 0.000 0.338 858 N C 0.616 176.162 175.510 0.059 0.000 1.376 858 N CA -0.442 52.630 53.050 0.036 0.000 0.778 858 N CB -0.253 38.236 38.487 0.003 0.000 1.232 858 N HN 0.457 nan 8.380 nan 0.000 0.581 859 S N -0.904 114.821 115.700 0.041 0.000 2.402 859 S HA -0.028 4.441 4.470 -0.001 0.000 0.229 859 S C 1.670 176.287 174.600 0.028 0.000 1.021 859 S CA 0.568 58.793 58.200 0.042 0.000 0.974 859 S CB -0.732 62.486 63.200 0.029 0.000 0.800 859 S HN 0.461 nan 8.310 nan 0.000 0.484 860 L N 0.887 122.118 121.223 0.014 0.000 2.313 860 L HA 0.193 4.532 4.340 -0.001 0.000 0.214 860 L C 2.020 178.880 176.870 -0.017 0.000 1.119 860 L CA 0.676 55.518 54.840 0.004 0.000 0.809 860 L CB -0.690 41.372 42.059 0.005 0.000 0.933 860 L HN 0.652 nan 8.230 nan 0.000 0.449 861 G N -0.237 108.539 108.800 -0.040 0.000 2.157 861 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.248 861 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.248 861 G C -0.040 174.801 174.900 -0.098 0.000 0.979 861 G CA -0.095 44.947 45.100 -0.096 0.000 0.650 861 G HN 0.356 nan 8.290 nan 0.000 0.529 862 N N 0.448 119.106 118.700 -0.070 0.000 2.468 862 N HA 0.341 5.080 4.740 -0.001 0.000 0.265 862 N C 0.577 176.008 175.510 -0.131 0.000 1.199 862 N CA 0.035 53.038 53.050 -0.078 0.000 0.928 862 N CB 1.414 39.873 38.487 -0.046 0.000 1.059 862 N HN 0.169 nan 8.380 nan 0.000 0.467 863 V N 4.317 124.115 119.914 -0.193 0.000 2.521 863 V HA 0.021 4.140 4.120 -0.001 0.000 0.286 863 V C 1.554 177.458 176.094 -0.317 0.000 1.034 863 V CA 0.027 62.121 62.300 -0.343 0.000 1.045 863 V CB 0.311 31.748 31.823 -0.644 0.000 0.974 863 V HN 0.554 nan 8.190 nan 0.000 0.480 864 I N 2.895 123.318 120.570 -0.245 0.000 2.685 864 I HA 0.128 4.297 4.170 -0.001 0.000 0.251 864 I C 0.908 176.928 176.117 -0.163 0.000 1.102 864 I CA 0.889 62.095 61.300 -0.156 0.000 1.442 864 I CB -0.256 37.699 38.000 -0.075 0.000 1.194 864 I HN 0.608 nan 8.210 nan 0.000 0.448 865 Q N -0.080 119.633 119.800 -0.145 0.000 2.345 865 Q HA 0.374 4.713 4.340 -0.001 0.000 0.268 865 Q C -0.052 175.844 176.000 -0.172 0.000 1.054 865 Q CA -0.574 55.187 55.803 -0.070 0.000 0.835 865 Q CB 2.117 30.875 28.738 0.034 0.000 1.339 865 Q HN 0.044 nan 8.270 nan 0.000 0.447 866 F N 0.405 120.379 119.950 0.040 0.000 2.512 866 F HA 0.184 4.711 4.527 -0.001 0.000 0.296 866 F C 0.668 176.503 175.800 0.059 0.000 1.110 866 F CA 0.511 58.536 58.000 0.042 0.000 1.446 866 F CB 0.627 39.645 39.000 0.030 0.000 1.092 866 F HN 0.332 nan 8.300 nan 0.000 0.554 867 I N -1.303 119.403 120.570 0.227 0.000 2.571 867 I HA 0.116 4.285 4.170 -0.001 0.000 0.286 867 I C -0.988 175.219 176.117 0.149 0.000 1.134 867 I CA -1.223 60.181 61.300 0.174 0.000 1.052 867 I CB 1.012 39.102 38.000 0.149 0.000 1.237 867 I HN -0.195 nan 8.210 nan 0.000 0.435 868 Y N 6.355 126.688 120.300 0.055 0.000 2.895 868 Y HA 0.252 4.801 4.550 -0.001 0.000 0.334 868 Y C 1.460 177.387 175.900 0.045 0.000 1.261 868 Y CA 1.306 59.428 58.100 0.037 0.000 1.560 868 Y CB 0.533 39.007 38.460 0.024 0.000 1.253 868 Y HN 0.914 nan 8.280 nan 0.000 0.582 869 G N 3.949 112.328 108.800 -0.702 0.000 2.180 869 G HA2 -0.392 3.567 3.960 -0.001 0.000 0.263 869 G HA3 -0.392 3.567 3.960 -0.001 0.000 0.263 869 G C 0.490 175.305 174.900 -0.142 0.000 0.989 869 G CA 0.761 45.513 45.100 -0.581 0.000 0.692 869 G HN 1.011 nan 8.290 nan 0.000 0.526 870 E N -2.257 117.911 120.200 -0.053 0.000 4.028 870 E HA -0.270 4.079 4.350 -0.001 0.000 0.343 870 E C 0.819 177.441 176.600 0.037 0.000 0.700 870 E CA 1.556 57.976 56.400 0.033 0.000 1.288 870 E CB -1.089 28.650 29.700 0.064 0.000 1.677 870 E HN 0.848 nan 8.360 nan 0.000 0.424 871 D N -1.569 118.843 120.400 0.020 0.000 2.497 871 D HA 0.195 4.834 4.640 -0.001 0.000 0.256 871 D C 1.207 177.542 176.300 0.058 0.000 1.273 871 D CA 0.709 54.738 54.000 0.048 0.000 0.812 871 D CB 0.013 40.838 40.800 0.042 0.000 1.190 871 D HN 0.274 nan 8.370 nan 0.000 0.524 872 G N 0.537 109.383 108.800 0.076 0.000 2.245 872 G HA2 -0.356 3.603 3.960 -0.001 0.000 0.264 872 G HA3 -0.356 3.603 3.960 -0.001 0.000 0.264 872 G C 0.200 175.161 174.900 0.101 0.000 0.985 872 G CA 0.680 45.851 45.100 0.117 0.000 0.625 872 G HN 0.382 nan 8.290 nan 0.000 0.536 873 M N 1.684 121.309 119.600 0.043 0.000 2.242 873 M HA 0.428 4.908 4.480 -0.001 0.000 0.344 873 M C 0.375 176.766 176.300 0.153 0.000 1.140 873 M CA -0.746 54.553 55.300 -0.002 0.000 1.160 873 M CB 0.798 33.356 32.600 -0.070 0.000 1.491 873 M HN 0.225 nan 8.290 nan 0.000 0.459 874 D N 1.804 122.287 120.400 0.138 0.000 2.255 874 D HA 0.296 4.935 4.640 -0.001 0.000 0.249 874 D C 0.144 176.574 176.300 0.216 0.000 1.078 874 D CA 0.063 54.206 54.000 0.238 0.000 0.896 874 D CB 1.519 42.486 40.800 0.278 0.000 1.194 874 D HN 0.733 nan 8.370 nan 0.000 0.429 875 A N 3.193 126.140 122.820 0.212 0.000 2.119 875 A HA 0.064 4.383 4.320 -0.001 0.000 0.217 875 A C 1.755 179.401 177.584 0.103 0.000 1.153 875 A CA 1.488 53.612 52.037 0.146 0.000 0.692 875 A CB -0.097 19.002 19.000 0.164 0.000 0.799 875 A HN 0.595 nan 8.150 nan 0.000 0.458 876 A N -1.546 121.307 122.820 0.054 0.000 2.044 876 A HA 0.072 4.391 4.320 -0.001 0.000 0.213 876 A C 1.259 178.769 177.584 -0.124 0.000 1.169 876 A CA 0.267 52.251 52.037 -0.087 0.000 0.724 876 A CB -0.391 18.473 19.000 -0.227 0.000 0.840 876 A HN 0.589 nan 8.150 nan 0.000 0.463 877 H N -0.469 118.621 119.070 0.034 0.000 2.713 877 H HA 0.476 5.032 4.556 -0.001 0.000 0.294 877 H C -1.048 174.295 175.328 0.025 0.000 1.366 877 H CA 0.211 56.275 56.048 0.026 0.000 1.139 877 H CB -0.304 29.445 29.762 -0.022 0.000 1.487 877 H HN 0.289 nan 8.280 nan 0.000 0.504 878 I N 1.703 122.365 120.570 0.154 0.000 2.722 878 I HA 0.161 4.330 4.170 -0.001 0.000 0.295 878 I C -0.655 175.554 176.117 0.153 0.000 1.161 878 I CA -0.638 60.739 61.300 0.129 0.000 1.032 878 I CB 2.643 40.717 38.000 0.124 0.000 1.244 878 I HN 0.262 nan 8.210 nan 0.000 0.421 879 E N 4.667 124.933 120.200 0.109 0.000 2.429 879 E HA 0.373 4.722 4.350 -0.001 0.000 0.276 879 E C -1.383 175.253 176.600 0.060 0.000 0.953 879 E CA -1.242 55.196 56.400 0.062 0.000 0.787 879 E CB 2.220 31.870 29.700 -0.084 0.000 1.307 879 E HN 0.285 nan 8.360 nan 0.000 0.458 880 K N 1.412 121.827 120.400 0.024 0.000 2.383 880 K HA 0.080 4.399 4.320 -0.001 0.000 0.286 880 K C -0.674 175.923 176.600 -0.005 0.000 1.051 880 K CA 0.395 56.680 56.287 -0.004 0.000 0.974 880 K CB 0.571 33.033 32.500 -0.063 0.000 0.968 880 K HN 0.392 nan 8.250 nan 0.000 0.475 881 Q N 1.612 121.428 119.800 0.026 0.000 2.423 881 Q HA 0.211 4.550 4.340 -0.001 0.000 0.278 881 Q C -1.246 174.775 176.000 0.034 0.000 1.097 881 Q CA -0.924 54.906 55.803 0.045 0.000 0.809 881 Q CB 2.236 31.036 28.738 0.103 0.000 1.391 881 Q HN 0.556 nan 8.270 nan 0.000 0.428 882 S N 1.483 117.204 115.700 0.036 0.000 2.452 882 S HA 0.393 4.863 4.470 -0.001 0.000 0.284 882 S C -0.534 174.109 174.600 0.072 0.000 1.171 882 S CA -0.589 57.628 58.200 0.028 0.000 1.064 882 S CB 0.087 63.301 63.200 0.022 0.000 0.967 882 S HN 0.454 nan 8.310 nan 0.000 0.484 883 L N 5.661 126.930 121.223 0.077 0.000 2.334 883 L HA 0.270 4.609 4.340 -0.001 0.000 0.286 883 L C 0.995 177.933 176.870 0.112 0.000 1.108 883 L CA -0.413 54.488 54.840 0.102 0.000 0.875 883 L CB 0.439 42.557 42.059 0.100 0.000 1.246 883 L HN 0.709 nan 8.230 nan 0.000 0.439 884 D N 0.594 121.079 120.400 0.142 0.000 2.178 884 D HA -0.137 4.502 4.640 -0.001 0.000 0.202 884 D C 1.960 178.381 176.300 0.201 0.000 0.974 884 D CA 1.752 55.862 54.000 0.183 0.000 0.841 884 D CB 0.218 41.166 40.800 0.247 0.000 0.953 884 D HN 0.613 nan 8.370 nan 0.000 0.478 885 T N -0.605 114.044 114.554 0.159 0.000 3.051 885 T HA -0.053 4.296 4.350 -0.001 0.000 0.269 885 T C 2.057 176.826 174.700 0.115 0.000 1.127 885 T CA 0.171 62.353 62.100 0.136 0.000 1.107 885 T CB 0.102 69.004 68.868 0.055 0.000 0.898 885 T HN 0.093 nan 8.240 nan 0.000 0.517 886 I N 1.473 122.116 120.570 0.121 0.000 2.193 886 I HA 0.134 4.303 4.170 -0.001 0.000 0.240 886 I C 1.881 178.105 176.117 0.178 0.000 1.084 886 I CA 0.988 62.364 61.300 0.126 0.000 1.365 886 I CB -1.082 36.982 38.000 0.107 0.000 1.064 886 I HN 0.420 nan 8.210 nan 0.000 0.410 887 G N -0.931 107.966 108.800 0.162 0.000 2.583 887 G HA2 0.495 4.454 3.960 -0.001 0.000 0.280 887 G HA3 0.495 4.454 3.960 -0.001 0.000 0.280 887 G C -0.104 174.905 174.900 0.183 0.000 1.376 887 G CA 0.235 45.456 45.100 0.201 0.000 1.043 887 G HN 0.566 nan 8.290 nan 0.000 0.538 888 G N -1.404 107.495 108.800 0.165 0.000 2.819 888 G HA2 0.250 4.209 3.960 -0.001 0.000 0.682 888 G HA3 0.250 4.209 3.960 -0.001 0.000 0.682 888 G C 0.347 175.314 174.900 0.111 0.000 1.481 888 G CA 0.363 45.543 45.100 0.134 0.000 0.904 888 G HN 1.985 nan 8.290 nan 0.000 0.563 889 S N -0.102 115.655 115.700 0.095 0.000 2.596 889 S HA 0.353 4.822 4.470 -0.001 0.000 0.260 889 S C 1.055 175.713 174.600 0.097 0.000 1.336 889 S CA 0.605 58.846 58.200 0.068 0.000 0.993 889 S CB 1.208 64.445 63.200 0.062 0.000 0.923 889 S HN 0.611 nan 8.310 nan 0.000 0.567 890 D N 1.041 121.477 120.400 0.060 0.000 2.219 890 D HA -0.009 4.630 4.640 -0.001 0.000 0.205 890 D C 2.098 178.512 176.300 0.190 0.000 0.970 890 D CA 1.423 55.476 54.000 0.089 0.000 0.851 890 D CB -0.619 40.198 40.800 0.027 0.000 0.943 890 D HN 0.672 nan 8.370 nan 0.000 0.488 891 A N 1.368 124.273 122.820 0.141 0.000 1.855 891 A HA 0.020 4.339 4.320 -0.001 0.000 0.215 891 A C 2.357 180.038 177.584 0.163 0.000 1.191 891 A CA 1.864 53.985 52.037 0.139 0.000 0.613 891 A CB -0.654 18.399 19.000 0.088 0.000 0.829 891 A HN 0.221 nan 8.150 nan 0.000 0.442 892 A N -1.306 121.607 122.820 0.155 0.000 1.969 892 A HA -0.013 4.306 4.320 -0.001 0.000 0.218 892 A C 2.024 179.741 177.584 0.221 0.000 1.169 892 A CA 1.513 53.638 52.037 0.146 0.000 0.635 892 A CB -0.697 18.376 19.000 0.122 0.000 0.810 892 A HN 0.747 nan 8.150 nan 0.000 0.445 893 F N 0.734 120.762 119.950 0.130 0.000 2.146 893 F HA -0.110 4.416 4.527 -0.002 0.000 0.298 893 F C 2.099 178.068 175.800 0.282 0.000 1.096 893 F CA 2.065 60.175 58.000 0.183 0.000 1.275 893 F CB -0.178 38.866 39.000 0.072 0.000 1.008 893 F HN 0.400 nan 8.300 nan 0.000 0.480 894 E N 0.843 121.251 120.200 0.346 0.000 2.028 894 E HA -0.286 4.063 4.350 -0.001 0.000 0.191 894 E C 2.243 178.916 176.600 0.122 0.000 0.988 894 E CA 1.363 57.939 56.400 0.294 0.000 0.799 894 E CB -0.374 29.527 29.700 0.336 0.000 0.755 894 E HN 0.445 nan 8.360 nan 0.000 0.447 895 K N 0.260 120.704 120.400 0.075 0.000 2.362 895 K HA -0.199 4.120 4.320 -0.001 0.000 0.202 895 K C 2.141 178.705 176.600 -0.061 0.000 1.045 895 K CA 1.167 57.440 56.287 -0.024 0.000 0.936 895 K CB 0.024 32.512 32.500 -0.020 0.000 0.747 895 K HN -0.011 nan 8.250 nan 0.000 0.467 896 R N -1.002 119.478 120.500 -0.033 0.000 2.175 896 R HA 0.028 4.367 4.340 -0.001 0.000 0.202 896 R C 0.790 176.882 176.300 -0.347 0.000 1.018 896 R CA 0.861 56.856 56.100 -0.176 0.000 1.029 896 R CB 0.283 30.512 30.300 -0.119 0.000 0.959 896 R HN 0.298 nan 8.270 nan 0.000 0.480 897 Y N -0.927 119.258 120.300 -0.193 0.000 2.426 897 Y HA 0.294 4.843 4.550 -0.002 0.000 0.249 897 Y C 0.324 176.253 175.900 0.049 0.000 1.103 897 Y CA -0.513 57.514 58.100 -0.122 0.000 1.256 897 Y CB 0.400 38.679 38.460 -0.300 0.000 1.208 897 Y HN -0.243 nan 8.280 nan 0.000 0.519 898 R N 1.714 122.290 120.500 0.127 0.000 2.296 898 R HA 0.378 4.717 4.340 -0.001 0.000 0.323 898 R C -1.397 174.842 176.300 -0.101 0.000 1.067 898 R CA -0.116 55.891 56.100 -0.155 0.000 0.946 898 R CB -0.035 30.141 30.300 -0.206 0.000 0.991 898 R HN -0.078 nan 8.270 nan 0.000 0.448 899 V N 5.057 124.909 119.914 -0.104 0.000 2.349 899 V HA 0.251 4.370 4.120 -0.001 0.000 0.284 899 V C -0.693 175.359 176.094 -0.069 0.000 1.014 899 V CA -0.848 61.414 62.300 -0.063 0.000 0.826 899 V CB 1.448 33.244 31.823 -0.044 0.000 1.009 899 V HN 0.654 nan 8.190 nan 0.000 0.431 900 D N 4.092 124.472 120.400 -0.033 0.000 2.460 900 D HA 0.413 5.052 4.640 -0.001 0.000 0.232 900 D C 0.800 177.084 176.300 -0.027 0.000 1.079 900 D CA -0.288 53.684 54.000 -0.047 0.000 0.864 900 D CB 1.586 42.346 40.800 -0.067 0.000 1.048 900 D HN 0.364 nan 8.370 nan 0.000 0.523 901 L N 2.610 123.812 121.223 -0.035 0.000 2.093 901 L HA -0.104 4.235 4.340 -0.001 0.000 0.208 901 L C 1.681 178.532 176.870 -0.030 0.000 1.085 901 L CA 0.836 55.659 54.840 -0.029 0.000 0.755 901 L CB -0.168 41.873 42.059 -0.029 0.000 0.904 901 L HN 0.414 nan 8.230 nan 0.000 0.435 902 L N -0.926 120.273 121.223 -0.038 0.000 2.645 902 L HA 0.103 4.442 4.340 -0.001 0.000 0.235 902 L C 0.412 177.251 176.870 -0.052 0.000 1.150 902 L CA 0.340 55.156 54.840 -0.041 0.000 0.911 902 L CB -0.970 41.065 42.059 -0.040 0.000 1.077 902 L HN 0.139 nan 8.230 nan 0.000 0.438 903 N N -0.809 117.858 118.700 -0.056 0.000 2.372 903 N HA 0.109 4.848 4.740 -0.001 0.000 0.285 903 N C 0.793 176.288 175.510 -0.025 0.000 1.008 903 N CA -0.152 52.856 53.050 -0.070 0.000 0.880 903 N CB 1.749 40.143 38.487 -0.155 0.000 1.239 903 N HN -0.104 nan 8.380 nan 0.000 0.484 904 T N 1.403 115.945 114.554 -0.020 0.000 3.098 904 T HA -0.003 4.346 4.350 -0.001 0.000 0.266 904 T C 0.128 174.846 174.700 0.029 0.000 1.145 904 T CA 1.263 63.362 62.100 -0.001 0.000 1.092 904 T CB 0.069 68.932 68.868 -0.008 0.000 0.908 904 T HN 0.481 nan 8.240 nan 0.000 0.526 905 D N -0.819 119.623 120.400 0.071 0.000 2.380 905 D HA 0.134 4.773 4.640 -0.001 0.000 0.212 905 D C 0.831 177.293 176.300 0.271 0.000 1.021 905 D CA 0.513 54.613 54.000 0.166 0.000 0.884 905 D CB 0.172 41.102 40.800 0.215 0.000 1.001 905 D HN 0.369 nan 8.370 nan 0.000 0.506 906 H N -0.557 118.484 119.070 -0.048 0.000 2.528 906 H HA 0.303 4.859 4.556 -0.001 0.000 0.282 906 H C 0.164 175.452 175.328 -0.066 0.000 1.097 906 H CA -0.243 55.769 56.048 -0.060 0.000 1.121 906 H CB -0.301 29.418 29.762 -0.073 0.000 1.590 906 H HN -0.051 nan 8.280 nan 0.000 0.553 907 T N -0.616 113.970 114.554 0.052 0.000 2.729 907 T HA 0.283 4.632 4.350 -0.001 0.000 0.298 907 T C 0.535 175.219 174.700 -0.027 0.000 1.013 907 T CA -0.786 61.314 62.100 0.000 0.000 0.957 907 T CB 1.022 69.884 68.868 -0.009 0.000 1.130 907 T HN 0.020 nan 8.240 nan 0.000 0.526 908 L N 1.422 122.621 121.223 -0.039 0.000 2.302 908 L HA 0.309 4.648 4.340 -0.001 0.000 0.285 908 L C 0.353 177.196 176.870 -0.045 0.000 1.090 908 L CA -0.558 54.249 54.840 -0.054 0.000 0.866 908 L CB -0.606 41.416 42.059 -0.063 0.000 1.244 908 L HN 0.625 nan 8.230 nan 0.000 0.435 909 D N 5.681 126.055 120.400 -0.044 0.000 2.752 909 D HA -0.079 4.560 4.640 -0.001 0.000 0.225 909 D C -1.022 175.257 176.300 -0.036 0.000 1.104 909 D CA -0.576 53.402 54.000 -0.036 0.000 0.832 909 D CB 1.019 41.797 40.800 -0.036 0.000 1.161 909 D HN 0.317 nan 8.370 nan 0.000 0.505 910 P HA -0.265 nan 4.420 nan 0.000 0.219 910 P C 1.128 178.410 177.300 -0.029 0.000 1.144 910 P CA 1.172 64.255 63.100 -0.029 0.000 0.806 910 P CB -0.103 31.583 31.700 -0.023 0.000 0.771 911 S N -0.929 114.755 115.700 -0.028 0.000 2.447 911 S HA -0.102 4.367 4.470 -0.001 0.000 0.233 911 S C 1.924 176.504 174.600 -0.032 0.000 1.006 911 S CA 0.772 58.957 58.200 -0.025 0.000 0.957 911 S CB -1.303 61.885 63.200 -0.020 0.000 0.773 911 S HN 0.127 nan 8.310 nan 0.000 0.507 912 L N -0.473 120.724 121.223 -0.043 0.000 2.071 912 L HA 0.354 4.693 4.340 -0.001 0.000 0.201 912 L C 1.072 177.907 176.870 -0.060 0.000 1.076 912 L CA 0.210 55.016 54.840 -0.057 0.000 0.755 912 L CB -0.564 41.452 42.059 -0.072 0.000 0.915 912 L HN 0.286 nan 8.230 nan 0.000 0.445 913 L N -0.335 120.853 121.223 -0.059 0.000 2.352 913 L HA 0.194 4.533 4.340 -0.001 0.000 0.269 913 L C 1.044 177.886 176.870 -0.047 0.000 1.034 913 L CA 0.254 55.057 54.840 -0.061 0.000 0.806 913 L CB 1.354 43.372 42.059 -0.068 0.000 1.244 913 L HN 0.034 nan 8.230 nan 0.000 0.447 914 E N -0.237 119.935 120.200 -0.046 0.000 2.112 914 E HA -0.092 4.257 4.350 -0.001 0.000 0.190 914 E C 0.977 177.557 176.600 -0.033 0.000 0.979 914 E CA 1.054 57.433 56.400 -0.035 0.000 0.814 914 E CB 0.221 29.901 29.700 -0.033 0.000 0.762 914 E HN 0.743 nan 8.360 nan 0.000 0.460 915 S N -0.432 115.245 115.700 -0.038 0.000 2.768 915 S HA 0.183 4.652 4.470 -0.001 0.000 0.246 915 S C 1.427 176.007 174.600 -0.034 0.000 1.006 915 S CA -0.092 58.088 58.200 -0.034 0.000 1.075 915 S CB 0.290 63.469 63.200 -0.036 0.000 0.786 915 S HN 0.303 nan 8.310 nan 0.000 0.468 916 G N 3.318 112.098 108.800 -0.034 0.000 2.777 916 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.217 916 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.217 916 G C 1.590 176.473 174.900 -0.028 0.000 1.295 916 G CA 1.396 46.476 45.100 -0.033 0.000 0.800 916 G HN 0.867 nan 8.290 nan 0.000 0.637 917 S N 0.232 115.918 115.700 -0.024 0.000 2.558 917 S HA 0.082 4.551 4.470 -0.001 0.000 0.217 917 S C 1.782 176.371 174.600 -0.020 0.000 0.975 917 S CA 1.181 59.369 58.200 -0.020 0.000 0.912 917 S CB 0.262 63.452 63.200 -0.017 0.000 0.776 917 S HN 0.701 nan 8.310 nan 0.000 0.526 918 E N 0.598 120.785 120.200 -0.021 0.000 2.482 918 E HA 0.012 4.361 4.350 -0.001 0.000 0.196 918 E C 1.057 177.645 176.600 -0.021 0.000 1.047 918 E CA 0.490 56.878 56.400 -0.020 0.000 0.869 918 E CB 0.049 29.737 29.700 -0.020 0.000 0.836 918 E HN 0.452 nan 8.360 nan 0.000 0.520 919 I N 0.717 121.272 120.570 -0.024 0.000 4.312 919 I HA 0.129 4.298 4.170 -0.001 0.000 0.324 919 I C 0.973 177.076 176.117 -0.024 0.000 1.298 919 I CA -0.186 61.099 61.300 -0.025 0.000 1.231 919 I CB -0.390 37.591 38.000 -0.031 0.000 1.152 919 I HN 0.195 nan 8.210 nan 0.000 0.421 920 L N 1.897 123.106 121.223 -0.023 0.000 2.615 920 L HA 0.144 4.484 4.340 -0.001 0.000 0.284 920 L C 1.368 178.226 176.870 -0.021 0.000 1.237 920 L CA 1.425 56.252 54.840 -0.021 0.000 0.905 920 L CB -0.069 41.978 42.059 -0.019 0.000 1.149 920 L HN 0.590 nan 8.230 nan 0.000 0.499 921 G N 3.389 112.175 108.800 -0.022 0.000 2.866 921 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.274 921 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.274 921 G C 0.131 175.018 174.900 -0.022 0.000 1.413 921 G CA 0.274 45.361 45.100 -0.022 0.000 0.997 921 G HN 0.978 nan 8.290 nan 0.000 0.559 922 D N -1.643 118.745 120.400 -0.020 0.000 3.364 922 D HA -0.164 4.475 4.640 -0.001 0.000 0.237 922 D C 1.099 177.387 176.300 -0.018 0.000 1.750 922 D CA 2.203 56.192 54.000 -0.019 0.000 1.121 922 D CB -0.994 39.794 40.800 -0.020 0.000 0.767 922 D HN 1.347 nan 8.370 nan 0.000 0.926 923 L N -1.518 119.695 121.223 -0.017 0.000 1.768 923 L HA -0.021 4.318 4.340 -0.001 0.000 0.209 923 L C 1.750 178.613 176.870 -0.013 0.000 1.261 923 L CA 0.338 55.169 54.840 -0.015 0.000 1.367 923 L CB -0.535 41.516 42.059 -0.014 0.000 2.595 923 L HN 0.231 nan 8.230 nan 0.000 0.489 924 K N 0.606 120.999 120.400 -0.012 0.000 2.217 924 K HA 0.096 4.415 4.320 -0.001 0.000 0.202 924 K C 1.711 178.304 176.600 -0.011 0.000 1.051 924 K CA 1.198 57.478 56.287 -0.010 0.000 0.952 924 K CB 0.200 32.694 32.500 -0.010 0.000 0.736 924 K HN 0.271 nan 8.250 nan 0.000 0.453 925 L N 0.012 121.227 121.223 -0.014 0.000 2.253 925 L HA -0.018 4.321 4.340 -0.001 0.000 0.205 925 L C 2.302 179.164 176.870 -0.013 0.000 1.078 925 L CA 0.378 55.209 54.840 -0.015 0.000 0.805 925 L CB -0.141 41.905 42.059 -0.021 0.000 0.963 925 L HN 0.119 nan 8.230 nan 0.000 0.459 926 Q N -0.087 119.704 119.800 -0.015 0.000 2.291 926 Q HA -0.161 4.178 4.340 -0.001 0.000 0.206 926 Q C 2.239 178.235 176.000 -0.006 0.000 0.976 926 Q CA 1.134 56.928 55.803 -0.015 0.000 0.875 926 Q CB -0.139 28.585 28.738 -0.022 0.000 0.927 926 Q HN 0.327 nan 8.270 nan 0.000 0.450 927 V N 0.336 120.248 119.914 -0.004 0.000 2.759 927 V HA -0.190 3.930 4.120 -0.001 0.000 0.256 927 V C 1.972 178.072 176.094 0.010 0.000 1.080 927 V CA 1.016 63.317 62.300 0.003 0.000 1.101 927 V CB -0.107 31.716 31.823 -0.000 0.000 0.698 927 V HN 0.251 nan 8.190 nan 0.000 0.477 928 L N -1.304 119.924 121.223 0.007 0.000 2.130 928 L HA 0.004 4.343 4.340 -0.001 0.000 0.200 928 L C 2.280 179.166 176.870 0.026 0.000 1.075 928 L CA 1.107 55.955 54.840 0.013 0.000 0.768 928 L CB -0.422 41.640 42.059 0.005 0.000 0.933 928 L HN 0.216 nan 8.230 nan 0.000 0.451 929 L N -0.166 121.069 121.223 0.020 0.000 2.189 929 L HA -0.253 4.086 4.340 -0.001 0.000 0.214 929 L C 2.036 178.947 176.870 0.068 0.000 1.097 929 L CA 0.951 55.813 54.840 0.036 0.000 0.764 929 L CB -0.626 41.438 42.059 0.008 0.000 0.900 929 L HN 0.339 nan 8.230 nan 0.000 0.436 930 D N 0.064 120.493 120.400 0.049 0.000 2.123 930 D HA -0.167 4.473 4.640 -0.001 0.000 0.200 930 D C 2.044 178.409 176.300 0.108 0.000 0.976 930 D CA 1.437 55.481 54.000 0.074 0.000 0.831 930 D CB 0.072 40.895 40.800 0.038 0.000 0.974 930 D HN 0.500 nan 8.370 nan 0.000 0.469 931 E N 1.104 121.346 120.200 0.069 0.000 2.285 931 E HA -0.133 4.216 4.350 -0.001 0.000 0.194 931 E C 1.733 178.371 176.600 0.063 0.000 0.997 931 E CA 1.033 57.468 56.400 0.058 0.000 0.845 931 E CB -0.334 29.385 29.700 0.031 0.000 0.782 931 E HN 0.405 nan 8.360 nan 0.000 0.491 932 E N -0.188 120.060 120.200 0.080 0.000 2.046 932 E HA -0.257 4.092 4.350 -0.001 0.000 0.190 932 E C 1.821 178.498 176.600 0.127 0.000 0.982 932 E CA 0.890 57.342 56.400 0.086 0.000 0.800 932 E CB -0.522 29.229 29.700 0.085 0.000 0.756 932 E HN 0.435 nan 8.360 nan 0.000 0.449 933 Y N 0.937 121.259 120.300 0.037 0.000 2.439 933 Y HA 0.025 4.574 4.550 -0.001 0.000 0.292 933 Y C 2.009 177.950 175.900 0.068 0.000 1.130 933 Y CA 1.325 59.458 58.100 0.055 0.000 1.254 933 Y CB 0.187 38.680 38.460 0.056 0.000 1.000 933 Y HN -0.047 nan 8.280 nan 0.000 0.554 934 K N -0.303 120.192 120.400 0.158 0.000 2.103 934 K HA -0.223 4.097 4.320 -0.001 0.000 0.204 934 K C 2.146 178.741 176.600 -0.008 0.000 1.052 934 K CA 1.385 57.715 56.287 0.073 0.000 0.945 934 K CB -0.053 32.492 32.500 0.075 0.000 0.722 934 K HN 0.215 nan 8.250 nan 0.000 0.443 935 Q N 0.953 120.749 119.800 -0.007 0.000 2.119 935 Q HA -0.062 4.277 4.340 -0.001 0.000 0.201 935 Q C 1.661 177.625 176.000 -0.059 0.000 0.972 935 Q CA 1.444 57.227 55.803 -0.034 0.000 0.847 935 Q CB -0.100 28.625 28.738 -0.022 0.000 0.903 935 Q HN 0.323 nan 8.270 nan 0.000 0.433 936 L N -0.093 121.082 121.223 -0.079 0.000 2.217 936 L HA -0.084 4.255 4.340 -0.001 0.000 0.211 936 L C 2.252 179.073 176.870 -0.082 0.000 1.107 936 L CA 0.892 55.672 54.840 -0.101 0.000 0.783 936 L CB -0.578 41.365 42.059 -0.193 0.000 0.919 936 L HN 0.261 nan 8.230 nan 0.000 0.442 937 V N -3.295 116.529 119.914 -0.150 0.000 2.323 937 V HA -0.155 3.964 4.120 -0.001 0.000 0.244 937 V C 2.582 178.594 176.094 -0.136 0.000 1.041 937 V CA 1.094 63.273 62.300 -0.203 0.000 1.025 937 V CB -0.644 31.060 31.823 -0.199 0.000 0.656 937 V HN 0.258 nan 8.190 nan 0.000 0.451 938 K N 0.591 120.941 120.400 -0.083 0.000 2.089 938 K HA -0.284 4.035 4.320 -0.001 0.000 0.210 938 K C 1.849 178.442 176.600 -0.012 0.000 1.048 938 K CA 2.531 58.789 56.287 -0.048 0.000 0.926 938 K CB -0.684 31.784 32.500 -0.054 0.000 0.714 938 K HN 0.648 nan 8.250 nan 0.000 0.448 939 D N -0.352 120.034 120.400 -0.023 0.000 2.077 939 D HA -0.142 4.497 4.640 -0.001 0.000 0.196 939 D C 2.015 178.361 176.300 0.076 0.000 0.986 939 D CA 1.260 55.287 54.000 0.046 0.000 0.829 939 D CB -0.267 40.541 40.800 0.012 0.000 0.983 939 D HN 0.244 nan 8.370 nan 0.000 0.453 940 R N 1.237 121.714 120.500 -0.039 0.000 2.117 940 R HA -0.217 4.122 4.340 -0.001 0.000 0.243 940 R C 1.976 178.231 176.300 -0.075 0.000 1.143 940 R CA 1.948 57.987 56.100 -0.102 0.000 0.968 940 R CB -0.097 29.987 30.300 -0.360 0.000 0.863 940 R HN 0.136 nan 8.270 nan 0.000 0.444 941 K N -0.190 120.166 120.400 -0.073 0.000 1.965 941 K HA -0.232 4.087 4.320 -0.001 0.000 0.214 941 K C 1.914 178.524 176.600 0.017 0.000 1.046 941 K CA 1.862 58.126 56.287 -0.038 0.000 0.944 941 K CB -0.629 31.851 32.500 -0.033 0.000 0.726 941 K HN 0.226 nan 8.250 nan 0.000 0.441 942 F N 1.858 121.762 119.950 -0.076 0.000 2.184 942 F HA -0.233 4.293 4.527 -0.002 0.000 0.301 942 F C 1.309 177.063 175.800 -0.076 0.000 1.076 942 F CA 1.389 59.344 58.000 -0.076 0.000 1.295 942 F CB -0.061 38.897 39.000 -0.071 0.000 1.026 942 F HN 0.067 nan 8.300 nan 0.000 0.494 943 L N 0.079 121.267 121.223 -0.058 0.000 1.890 943 L HA -0.144 4.195 4.340 -0.001 0.000 0.219 943 L C 2.497 179.283 176.870 -0.140 0.000 1.104 943 L CA 1.235 56.009 54.840 -0.110 0.000 0.792 943 L CB -1.123 41.016 42.059 0.133 0.000 0.887 943 L HN -0.139 nan 8.230 nan 0.000 0.432 944 R N 0.302 120.808 120.500 0.010 0.000 2.536 944 R HA -0.321 4.018 4.340 -0.001 0.000 0.239 944 R C 1.879 178.158 176.300 -0.034 0.000 0.955 944 R CA 2.418 58.553 56.100 0.058 0.000 0.913 944 R CB -0.862 29.479 30.300 0.069 0.000 0.816 944 R HN 0.693 nan 8.270 nan 0.000 0.482 945 E N -0.218 119.886 120.200 -0.161 0.000 2.415 945 E HA 0.012 4.361 4.350 -0.001 0.000 0.197 945 E C 1.584 177.967 176.600 -0.363 0.000 1.007 945 E CA 0.434 56.704 56.400 -0.216 0.000 0.890 945 E CB 0.212 29.796 29.700 -0.193 0.000 0.891 945 E HN 0.116 nan 8.360 nan 0.000 0.496 946 V N 0.496 120.073 119.914 -0.562 0.000 2.300 946 V HA -0.028 4.091 4.120 -0.001 0.000 0.241 946 V C 0.759 176.387 176.094 -0.777 0.000 1.034 946 V CA 1.048 62.859 62.300 -0.815 0.000 1.021 946 V CB -0.291 30.805 31.823 -1.211 0.000 0.662 946 V HN 0.229 nan 8.190 nan 0.000 0.458 947 F N 0.218 119.978 119.950 -0.316 0.000 2.640 947 F HA 0.301 4.827 4.527 -0.002 0.000 0.331 947 F C 1.333 177.065 175.800 -0.114 0.000 1.200 947 F CA -0.297 57.565 58.000 -0.230 0.000 1.278 947 F CB -0.272 38.600 39.000 -0.212 0.000 1.571 947 F HN -0.156 nan 8.300 nan 0.000 0.576 948 V N 0.702 120.605 119.914 -0.018 0.000 2.363 948 V HA -0.388 3.731 4.120 -0.001 0.000 0.254 948 V C 2.118 178.256 176.094 0.074 0.000 1.074 948 V CA 2.306 64.619 62.300 0.022 0.000 1.069 948 V CB -0.497 31.308 31.823 -0.030 0.000 0.659 948 V HN 0.615 nan 8.190 nan 0.000 0.455 949 D N 0.262 120.680 120.400 0.030 0.000 2.309 949 D HA -0.014 4.626 4.640 -0.001 0.000 0.212 949 D C 1.771 177.878 176.300 -0.321 0.000 0.968 949 D CA 1.179 55.160 54.000 -0.032 0.000 0.882 949 D CB -0.477 40.331 40.800 0.012 0.000 0.918 949 D HN 0.649 nan 8.370 nan 0.000 0.503 950 G N 0.665 109.189 108.800 -0.460 0.000 2.179 950 G HA2 -0.343 3.617 3.960 -0.001 0.000 0.260 950 G HA3 -0.343 3.617 3.960 -0.001 0.000 0.260 950 G C 0.112 174.766 174.900 -0.409 0.000 0.977 950 G CA 0.364 44.864 45.100 -0.999 0.000 0.641 950 G HN 0.639 nan 8.290 nan 0.000 0.533 951 E N 0.693 120.807 120.200 -0.143 0.000 2.415 951 E HA 0.591 4.940 4.350 -0.001 0.000 0.263 951 E C 1.236 177.858 176.600 0.036 0.000 0.995 951 E CA 0.990 57.349 56.400 -0.068 0.000 0.915 951 E CB 0.775 30.451 29.700 -0.041 0.000 0.951 951 E HN 0.761 nan 8.360 nan 0.000 0.449 952 A N 5.014 127.775 122.820 -0.098 0.000 2.140 952 A HA 0.108 4.427 4.320 -0.001 0.000 0.209 952 A C 0.095 177.611 177.584 -0.113 0.000 1.181 952 A CA -0.186 51.826 52.037 -0.041 0.000 0.824 952 A CB 0.007 18.990 19.000 -0.028 0.000 0.879 952 A HN 0.625 nan 8.150 nan 0.000 0.480 953 N N 0.089 118.537 118.700 -0.420 0.000 2.414 953 N HA 0.365 5.104 4.740 -0.001 0.000 0.256 953 N C -1.733 173.239 175.510 -0.896 0.000 1.029 953 N CA 0.292 53.062 53.050 -0.467 0.000 0.948 953 N CB 0.536 38.793 38.487 -0.383 0.000 1.102 953 N HN 0.437 nan 8.380 nan 0.000 0.496 954 W N 1.723 122.909 121.300 -0.190 0.000 3.042 954 W HA 0.316 4.975 4.660 -0.002 0.000 0.337 954 W C -2.303 174.189 176.519 -0.046 0.000 1.086 954 W CA -1.875 55.368 57.345 -0.170 0.000 1.236 954 W CB 1.234 30.508 29.460 -0.310 0.000 1.381 954 W HN 0.335 nan 8.180 nan 0.000 0.472 955 P HA -0.025 nan 4.420 nan 0.000 0.253 955 P C -0.633 176.786 177.300 0.199 0.000 1.159 955 P CA 1.059 64.275 63.100 0.194 0.000 0.779 955 P CB 0.220 32.069 31.700 0.249 0.000 0.745 956 L N 5.976 127.299 121.223 0.167 0.000 2.445 956 L HA 0.512 4.851 4.340 -0.001 0.000 0.262 956 L C -2.313 174.615 176.870 0.097 0.000 0.974 956 L CA -2.513 52.425 54.840 0.163 0.000 0.822 956 L CB 3.194 45.412 42.059 0.266 0.000 1.339 956 L HN 0.139 nan 8.230 nan 0.000 0.409 957 P HA 0.137 nan 4.420 nan 0.000 0.274 957 P C -0.628 176.623 177.300 -0.082 0.000 1.256 957 P CA -0.028 62.997 63.100 -0.125 0.000 0.795 957 P CB 0.872 32.361 31.700 -0.352 0.000 1.038 958 V N -1.007 118.896 119.914 -0.018 0.000 4.273 958 V HA -0.222 3.897 4.120 -0.001 0.000 0.450 958 V C 0.729 176.935 176.094 0.187 0.000 0.683 958 V CA 0.260 62.625 62.300 0.107 0.000 1.815 958 V CB -2.008 29.946 31.823 0.218 0.000 2.190 958 V HN 0.861 nan 8.190 nan 0.000 0.492 959 N N 3.863 122.636 118.700 0.122 0.000 2.406 959 N HA 0.149 4.888 4.740 -0.001 0.000 0.274 959 N C 0.804 176.374 175.510 0.101 0.000 1.249 959 N CA 0.062 53.175 53.050 0.104 0.000 0.951 959 N CB 0.799 39.320 38.487 0.057 0.000 1.241 959 N HN 0.618 nan 8.380 nan 0.000 0.485 960 I N 3.861 124.503 120.570 0.119 0.000 2.142 960 I HA -0.233 3.936 4.170 -0.001 0.000 0.240 960 I C 2.492 178.610 176.117 0.002 0.000 1.078 960 I CA 0.938 62.277 61.300 0.064 0.000 1.343 960 I CB -0.302 37.729 38.000 0.052 0.000 1.046 960 I HN 0.551 nan 8.210 nan 0.000 0.405 961 R N 0.714 121.215 120.500 0.002 0.000 2.134 961 R HA -0.241 4.098 4.340 -0.001 0.000 0.248 961 R C 2.418 178.697 176.300 -0.035 0.000 1.143 961 R CA 1.928 58.006 56.100 -0.037 0.000 0.957 961 R CB -0.395 29.906 30.300 0.002 0.000 0.867 961 R HN 0.206 nan 8.270 nan 0.000 0.441 962 R N -0.226 120.282 120.500 0.013 0.000 2.092 962 R HA 0.006 4.345 4.340 -0.001 0.000 0.231 962 R C 2.252 178.595 176.300 0.070 0.000 1.119 962 R CA 1.637 57.764 56.100 0.045 0.000 0.970 962 R CB -0.184 30.158 30.300 0.071 0.000 0.864 962 R HN 0.349 nan 8.270 nan 0.000 0.440 963 I N 0.603 121.209 120.570 0.060 0.000 2.493 963 I HA -0.256 3.913 4.170 -0.001 0.000 0.254 963 I C 1.795 178.004 176.117 0.153 0.000 1.160 963 I CA 0.676 62.038 61.300 0.104 0.000 1.445 963 I CB -0.174 37.833 38.000 0.012 0.000 1.086 963 I HN 0.147 nan 8.210 nan 0.000 0.433 964 I N 0.757 121.324 120.570 -0.004 0.000 2.233 964 I HA -0.233 3.936 4.170 -0.001 0.000 0.243 964 I C 2.562 178.655 176.117 -0.040 0.000 1.093 964 I CA 1.578 62.820 61.300 -0.097 0.000 1.380 964 I CB -1.274 36.457 38.000 -0.448 0.000 1.067 964 I HN 0.326 nan 8.210 nan 0.000 0.413 965 Q N 0.326 120.083 119.800 -0.072 0.000 2.124 965 Q HA -0.195 4.144 4.340 -0.001 0.000 0.202 965 Q C 1.952 177.872 176.000 -0.133 0.000 0.977 965 Q CA 1.309 57.022 55.803 -0.149 0.000 0.850 965 Q CB -0.188 28.404 28.738 -0.242 0.000 0.901 965 Q HN 0.467 nan 8.270 nan 0.000 0.429 966 N N 0.593 119.323 118.700 0.051 0.000 2.166 966 N HA -0.118 4.622 4.740 -0.001 0.000 0.186 966 N C 1.557 177.099 175.510 0.054 0.000 1.019 966 N CA 1.358 54.512 53.050 0.174 0.000 0.856 966 N CB -0.316 38.443 38.487 0.452 0.000 0.993 966 N HN 0.274 nan 8.380 nan 0.000 0.426 967 A N 1.374 124.289 122.820 0.158 0.000 1.873 967 A HA -0.176 4.143 4.320 -0.001 0.000 0.215 967 A C 1.992 179.616 177.584 0.067 0.000 1.186 967 A CA 1.540 53.601 52.037 0.040 0.000 0.616 967 A CB -0.673 18.480 19.000 0.254 0.000 0.823 967 A HN 0.561 nan 8.150 nan 0.000 0.442 968 Q N -1.265 118.569 119.800 0.056 0.000 2.488 968 Q HA -0.027 4.312 4.340 -0.001 0.000 0.211 968 Q C 1.708 177.763 176.000 0.092 0.000 0.967 968 Q CA 1.162 57.011 55.803 0.076 0.000 0.926 968 Q CB -0.046 28.734 28.738 0.070 0.000 0.992 968 Q HN 0.747 nan 8.270 nan 0.000 0.506 969 Q N 0.270 120.089 119.800 0.032 0.000 2.387 969 Q HA 0.013 4.352 4.340 -0.001 0.000 0.208 969 Q C 1.670 177.593 176.000 -0.128 0.000 0.935 969 Q CA 1.174 57.013 55.803 0.061 0.000 0.891 969 Q CB 0.483 29.277 28.738 0.093 0.000 1.007 969 Q HN 0.412 nan 8.270 nan 0.000 0.548 970 T N 0.718 115.119 114.554 -0.255 0.000 2.778 970 T HA -0.143 4.206 4.350 -0.001 0.000 0.269 970 T C 0.767 175.011 174.700 -0.759 0.000 1.050 970 T CA 1.305 63.055 62.100 -0.583 0.000 1.137 970 T CB -0.189 68.138 68.868 -0.901 0.000 0.860 970 T HN 0.158 nan 8.240 nan 0.000 0.468 971 F N -0.195 119.582 119.950 -0.289 0.000 2.647 971 F HA 0.314 4.840 4.527 -0.001 0.000 0.300 971 F C 0.506 176.284 175.800 -0.038 0.000 1.106 971 F CA -0.801 57.086 58.000 -0.188 0.000 1.313 971 F CB -0.198 38.692 39.000 -0.184 0.000 1.007 971 F HN 0.051 nan 8.300 nan 0.000 0.536 972 H N 0.836 119.926 119.070 0.033 0.000 2.207 972 H HA -0.193 4.363 4.556 -0.001 0.000 0.325 972 H C 0.225 175.593 175.328 0.068 0.000 0.959 972 H CA 0.032 56.104 56.048 0.039 0.000 1.085 972 H CB -1.419 28.351 29.762 0.014 0.000 1.582 972 H HN 0.235 nan 8.280 nan 0.000 0.361 973 I N 2.238 122.927 120.570 0.197 0.000 2.587 973 I HA -0.057 4.112 4.170 -0.001 0.000 0.284 973 I C 0.826 177.022 176.117 0.132 0.000 1.134 973 I CA 0.211 61.582 61.300 0.118 0.000 1.410 973 I CB 0.454 38.487 38.000 0.055 0.000 1.392 973 I HN 0.329 nan 8.210 nan 0.000 0.545 974 D N 5.200 125.662 120.400 0.103 0.000 2.210 974 D HA 0.096 4.735 4.640 -0.001 0.000 0.249 974 D C 0.371 176.745 176.300 0.123 0.000 1.062 974 D CA -0.145 53.943 54.000 0.148 0.000 0.891 974 D CB 0.626 41.479 40.800 0.089 0.000 1.186 974 D HN 0.527 nan 8.370 nan 0.000 0.432 975 H N 0.700 119.780 119.070 0.016 0.000 2.547 975 H HA 0.058 4.613 4.556 -0.001 0.000 0.274 975 H C 0.818 176.147 175.328 0.003 0.000 1.024 975 H CA 0.803 56.859 56.048 0.013 0.000 1.155 975 H CB 0.285 30.056 29.762 0.015 0.000 1.344 975 H HN 0.652 nan 8.280 nan 0.000 0.598 976 T N -2.564 112.046 114.554 0.093 0.000 2.954 976 T HA 0.085 4.434 4.350 -0.001 0.000 0.252 976 T C 0.668 175.381 174.700 0.022 0.000 0.983 976 T CA -0.367 61.762 62.100 0.049 0.000 0.941 976 T CB 0.466 69.358 68.868 0.041 0.000 1.141 976 T HN -0.141 nan 8.240 nan 0.000 0.500 977 K N 3.311 123.722 120.400 0.018 0.000 2.227 977 K HA 0.551 4.870 4.320 -0.001 0.000 0.280 977 K C -2.862 173.731 176.600 -0.011 0.000 1.041 977 K CA -2.444 53.845 56.287 0.004 0.000 0.905 977 K CB 1.034 33.540 32.500 0.009 0.000 1.068 977 K HN 0.155 nan 8.250 nan 0.000 0.470 978 P HA -0.038 nan 4.420 nan 0.000 0.264 978 P C -0.293 176.986 177.300 -0.035 0.000 1.193 978 P CA 0.019 63.101 63.100 -0.029 0.000 0.763 978 P CB 0.840 32.524 31.700 -0.027 0.000 0.810 979 S N 2.207 117.877 115.700 -0.050 0.000 2.589 979 S HA -0.042 4.427 4.470 -0.001 0.000 0.256 979 S C 0.779 175.347 174.600 -0.054 0.000 1.383 979 S CA 0.370 58.536 58.200 -0.057 0.000 0.983 979 S CB 0.034 63.186 63.200 -0.080 0.000 0.908 979 S HN 0.627 nan 8.310 nan 0.000 0.572 980 D N 0.972 121.338 120.400 -0.057 0.000 2.599 980 D HA 0.169 4.808 4.640 -0.001 0.000 0.249 980 D C -0.094 176.166 176.300 -0.066 0.000 1.313 980 D CA -0.194 53.776 54.000 -0.050 0.000 0.815 980 D CB -0.368 40.412 40.800 -0.032 0.000 1.077 980 D HN 0.306 nan 8.370 nan 0.000 0.492 981 L N 1.110 122.273 121.223 -0.101 0.000 2.418 981 L HA 0.297 4.636 4.340 -0.001 0.000 0.265 981 L C 0.670 177.467 176.870 -0.122 0.000 1.143 981 L CA -0.118 54.639 54.840 -0.139 0.000 0.809 981 L CB 1.331 43.243 42.059 -0.245 0.000 1.124 981 L HN -0.154 nan 8.230 nan 0.000 0.456 982 T N 1.348 115.834 114.554 -0.114 0.000 2.922 982 T HA 0.256 4.605 4.350 -0.001 0.000 0.285 982 T C 1.630 176.261 174.700 -0.115 0.000 1.005 982 T CA -0.745 61.299 62.100 -0.092 0.000 1.061 982 T CB 1.421 70.251 68.868 -0.063 0.000 1.007 982 T HN 0.300 nan 8.240 nan 0.000 0.502 983 I N 0.967 121.483 120.570 -0.090 0.000 2.315 983 I HA -0.153 4.016 4.170 -0.001 0.000 0.251 983 I C 2.236 178.312 176.117 -0.069 0.000 1.125 983 I CA 1.692 62.943 61.300 -0.082 0.000 1.392 983 I CB -0.848 37.117 38.000 -0.057 0.000 1.065 983 I HN 0.724 nan 8.210 nan 0.000 0.424 984 K N 0.452 120.819 120.400 -0.055 0.000 2.366 984 K HA -0.133 4.186 4.320 -0.001 0.000 0.198 984 K C 1.421 177.999 176.600 -0.037 0.000 1.044 984 K CA 0.749 57.014 56.287 -0.036 0.000 0.973 984 K CB 0.197 32.682 32.500 -0.025 0.000 0.767 984 K HN 0.237 nan 8.250 nan 0.000 0.475 985 D N 0.600 120.957 120.400 -0.071 0.000 2.091 985 D HA -0.099 4.540 4.640 -0.001 0.000 0.199 985 D C 1.750 177.989 176.300 -0.101 0.000 0.980 985 D CA 1.020 54.976 54.000 -0.074 0.000 0.831 985 D CB -0.008 40.715 40.800 -0.128 0.000 0.987 985 D HN 0.160 nan 8.370 nan 0.000 0.460 986 I N 0.422 120.851 120.570 -0.235 0.000 2.086 986 I HA -0.210 3.959 4.170 -0.001 0.000 0.233 986 I C 2.402 178.509 176.117 -0.016 0.000 1.060 986 I CA 0.655 61.786 61.300 -0.282 0.000 1.326 986 I CB -0.520 37.280 38.000 -0.334 0.000 1.067 986 I HN -0.120 nan 8.210 nan 0.000 0.398 987 V N 1.346 121.244 119.914 -0.027 0.000 2.252 987 V HA -0.296 3.823 4.120 -0.001 0.000 0.249 987 V C 2.359 178.473 176.094 0.032 0.000 1.056 987 V CA 1.742 64.051 62.300 0.015 0.000 1.022 987 V CB -0.718 31.107 31.823 0.003 0.000 0.641 987 V HN 0.447 nan 8.190 nan 0.000 0.445 988 L N 0.547 121.783 121.223 0.022 0.000 2.291 988 L HA 0.016 4.355 4.340 -0.001 0.000 0.214 988 L C 2.205 179.105 176.870 0.050 0.000 1.120 988 L CA 2.027 56.883 54.840 0.026 0.000 0.799 988 L CB -1.220 40.847 42.059 0.014 0.000 0.925 988 L HN 0.416 nan 8.230 nan 0.000 0.446 989 G N -0.724 108.130 108.800 0.091 0.000 2.404 989 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.213 989 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.213 989 G C 1.570 176.548 174.900 0.130 0.000 1.189 989 G CA 0.696 45.884 45.100 0.146 0.000 0.796 989 G HN 0.226 nan 8.290 nan 0.000 0.532 990 V N 0.510 120.529 119.914 0.175 0.000 2.636 990 V HA -0.149 3.970 4.120 -0.001 0.000 0.258 990 V C 2.564 178.674 176.094 0.027 0.000 1.092 990 V CA 2.593 64.955 62.300 0.104 0.000 1.110 990 V CB -0.279 31.627 31.823 0.138 0.000 0.685 990 V HN 0.405 nan 8.190 nan 0.000 0.481 991 K N -0.902 119.515 120.400 0.028 0.000 2.314 991 K HA -0.036 4.283 4.320 -0.001 0.000 0.198 991 K C 1.492 178.085 176.600 -0.012 0.000 1.045 991 K CA 1.094 57.381 56.287 0.000 0.000 0.988 991 K CB 0.052 32.555 32.500 0.006 0.000 0.783 991 K HN 0.633 nan 8.250 nan 0.000 0.484 992 D N 0.801 121.199 120.400 -0.004 0.000 2.305 992 D HA -0.107 4.532 4.640 -0.001 0.000 0.206 992 D C 1.867 178.148 176.300 -0.032 0.000 0.974 992 D CA 0.314 54.305 54.000 -0.014 0.000 0.871 992 D CB 0.199 40.998 40.800 -0.002 0.000 0.947 992 D HN 0.126 nan 8.370 nan 0.000 0.516 993 L N 1.342 122.541 121.223 -0.039 0.000 2.017 993 L HA -0.159 4.180 4.340 -0.001 0.000 0.208 993 L C 2.256 179.072 176.870 -0.090 0.000 1.073 993 L CA 1.782 56.582 54.840 -0.066 0.000 0.745 993 L CB -0.677 41.335 42.059 -0.078 0.000 0.894 993 L HN -0.165 nan 8.230 nan 0.000 0.432 994 Q N -0.755 118.994 119.800 -0.087 0.000 2.376 994 Q HA -0.203 4.136 4.340 -0.001 0.000 0.211 994 Q C 1.570 177.514 176.000 -0.094 0.000 0.986 994 Q CA 1.505 57.247 55.803 -0.102 0.000 0.886 994 Q CB 0.067 28.757 28.738 -0.079 0.000 0.927 994 Q HN 0.597 nan 8.270 nan 0.000 0.457 995 E N -0.819 119.338 120.200 -0.071 0.000 2.452 995 E HA 0.025 4.374 4.350 -0.001 0.000 0.197 995 E C 0.577 177.144 176.600 -0.055 0.000 1.022 995 E CA 0.164 56.532 56.400 -0.054 0.000 0.890 995 E CB 0.437 30.116 29.700 -0.036 0.000 0.918 995 E HN 0.418 nan 8.360 nan 0.000 0.496 996 N N 0.315 118.972 118.700 -0.072 0.000 2.197 996 N HA 0.083 4.822 4.740 -0.001 0.000 0.201 996 N C 0.586 176.046 175.510 -0.083 0.000 1.148 996 N CA 0.029 53.045 53.050 -0.057 0.000 0.883 996 N CB 0.853 39.315 38.487 -0.041 0.000 1.012 996 N HN 0.101 nan 8.380 nan 0.000 0.507 997 L N 2.335 123.438 121.223 -0.200 0.000 2.388 997 L HA 0.126 4.465 4.340 -0.001 0.000 0.252 997 L C -0.022 176.744 176.870 -0.173 0.000 1.357 997 L CA 0.065 54.635 54.840 -0.450 0.000 1.214 997 L CB -0.526 40.977 42.059 -0.928 0.000 1.392 997 L HN -0.097 nan 8.230 nan 0.000 0.432 998 L N 1.363 122.611 121.223 0.043 0.000 2.397 998 L HA 0.124 4.463 4.340 -0.001 0.000 0.271 998 L C 0.977 177.988 176.870 0.235 0.000 1.148 998 L CA 0.421 55.325 54.840 0.108 0.000 0.825 998 L CB 1.806 43.906 42.059 0.069 0.000 1.117 998 L HN 0.236 nan 8.230 nan 0.000 0.456 999 V N 3.789 123.812 119.914 0.181 0.000 3.305 999 V HA 0.257 4.376 4.120 -0.001 0.000 0.247 999 V C 0.228 176.385 176.094 0.104 0.000 1.426 999 V CA 0.218 62.620 62.300 0.169 0.000 1.162 999 V CB 1.378 33.323 31.823 0.203 0.000 0.961 999 V HN 0.492 nan 8.190 nan 0.000 0.449 1000 L N -0.484 120.793 121.223 0.090 0.000 2.401 1000 L HA 0.535 4.875 4.340 -0.001 0.000 0.266 1000 L C 0.659 177.562 176.870 0.055 0.000 0.991 1000 L CA -0.220 54.663 54.840 0.072 0.000 0.818 1000 L CB 2.638 44.740 42.059 0.073 0.000 1.321 1000 L HN -0.111 nan 8.230 nan 0.000 0.413 1001 R N 0.775 121.304 120.500 0.048 0.000 2.335 1001 R HA 0.214 4.553 4.340 -0.001 0.000 0.210 1001 R C 0.730 177.046 176.300 0.027 0.000 0.892 1001 R CA -0.035 56.085 56.100 0.034 0.000 1.048 1001 R CB 0.824 31.140 30.300 0.028 0.000 1.067 1001 R HN 0.787 nan 8.270 nan 0.000 0.524 1002 G N 0.815 109.634 108.800 0.031 0.000 2.391 1002 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.234 1002 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.234 1002 G C 0.126 175.036 174.900 0.017 0.000 1.284 1002 G CA -0.102 45.013 45.100 0.025 0.000 0.873 1002 G HN 0.209 nan 8.290 nan 0.000 0.549 1003 K N 0.592 120.999 120.400 0.013 0.000 2.444 1003 K HA 0.006 4.325 4.320 -0.001 0.000 0.193 1003 K C 0.821 177.425 176.600 0.006 0.000 1.024 1003 K CA 0.135 56.426 56.287 0.008 0.000 1.077 1003 K CB 0.021 32.525 32.500 0.005 0.000 0.833 1003 K HN 0.773 nan 8.250 nan 0.000 0.517 1004 N N -0.690 118.014 118.700 0.007 0.000 2.530 1004 N HA 0.032 4.771 4.740 -0.001 0.000 0.283 1004 N C 0.715 176.226 175.510 0.001 0.000 1.238 1004 N CA -0.628 52.425 53.050 0.004 0.000 0.971 1004 N CB 0.545 39.036 38.487 0.006 0.000 1.195 1004 N HN -0.263 nan 8.380 nan 0.000 0.583 1005 E N 0.348 120.546 120.200 -0.003 0.000 2.012 1005 E HA -0.165 4.184 4.350 -0.001 0.000 0.197 1005 E C 1.881 178.474 176.600 -0.011 0.000 1.007 1005 E CA 1.171 57.566 56.400 -0.008 0.000 0.816 1005 E CB -0.736 28.958 29.700 -0.011 0.000 0.762 1005 E HN 0.543 nan 8.360 nan 0.000 0.451 1006 I N 1.858 122.420 120.570 -0.013 0.000 2.087 1006 I HA -0.283 3.886 4.170 -0.001 0.000 0.240 1006 I C 2.637 178.745 176.117 -0.015 0.000 1.054 1006 I CA 1.172 62.459 61.300 -0.022 0.000 1.311 1006 I CB -1.354 36.632 38.000 -0.022 0.000 1.024 1006 I HN 0.076 nan 8.210 nan 0.000 0.402 1007 I N 0.433 121.004 120.570 0.002 0.000 2.163 1007 I HA -0.260 3.909 4.170 -0.001 0.000 0.243 1007 I C 2.622 178.746 176.117 0.012 0.000 1.085 1007 I CA 1.413 62.722 61.300 0.016 0.000 1.347 1007 I CB -1.323 36.692 38.000 0.025 0.000 1.044 1007 I HN 0.362 nan 8.210 nan 0.000 0.408 1008 Q N 0.639 120.442 119.800 0.005 0.000 2.135 1008 Q HA -0.169 4.170 4.340 -0.001 0.000 0.204 1008 Q C 1.955 177.952 176.000 -0.006 0.000 0.981 1008 Q CA 1.243 57.046 55.803 0.001 0.000 0.856 1008 Q CB -0.600 28.136 28.738 -0.004 0.000 0.902 1008 Q HN 0.641 nan 8.270 nan 0.000 0.425 1009 N N 0.115 118.807 118.700 -0.013 0.000 2.106 1009 N HA -0.096 4.644 4.740 -0.001 0.000 0.188 1009 N C 1.728 177.227 175.510 -0.019 0.000 1.029 1009 N CA 0.975 54.011 53.050 -0.022 0.000 0.848 1009 N CB 0.006 38.474 38.487 -0.032 0.000 1.007 1009 N HN 0.191 nan 8.380 nan 0.000 0.423 1010 A N 1.257 124.069 122.820 -0.013 0.000 1.972 1010 A HA -0.221 4.098 4.320 -0.001 0.000 0.219 1010 A C 2.156 179.754 177.584 0.023 0.000 1.169 1010 A CA 1.487 53.523 52.037 -0.000 0.000 0.635 1010 A CB -0.507 18.498 19.000 0.009 0.000 0.810 1010 A HN 0.282 nan 8.150 nan 0.000 0.446 1011 Q N -0.062 119.752 119.800 0.025 0.000 2.123 1011 Q HA -0.069 4.270 4.340 -0.001 0.000 0.199 1011 Q C 2.116 178.132 176.000 0.027 0.000 0.966 1011 Q CA 1.860 57.686 55.803 0.038 0.000 0.845 1011 Q CB -0.360 28.397 28.738 0.032 0.000 0.907 1011 Q HN 0.607 nan 8.270 nan 0.000 0.439 1012 R N -0.087 120.414 120.500 0.003 0.000 2.081 1012 R HA -0.132 4.207 4.340 -0.001 0.000 0.235 1012 R C 1.388 177.682 176.300 -0.011 0.000 1.131 1012 R CA 1.703 57.795 56.100 -0.014 0.000 0.960 1012 R CB -0.084 30.197 30.300 -0.032 0.000 0.856 1012 R HN 0.429 nan 8.270 nan 0.000 0.436 1013 D N 0.209 120.607 120.400 -0.004 0.000 2.084 1013 D HA -0.126 4.513 4.640 -0.001 0.000 0.196 1013 D C 1.757 178.080 176.300 0.039 0.000 0.985 1013 D CA 1.443 55.445 54.000 0.003 0.000 0.826 1013 D CB -0.467 40.334 40.800 0.001 0.000 0.978 1013 D HN 0.269 nan 8.370 nan 0.000 0.456 1014 A N 0.547 123.401 122.820 0.058 0.000 2.054 1014 A HA -0.193 4.126 4.320 -0.001 0.000 0.223 1014 A C 2.342 180.005 177.584 0.131 0.000 1.169 1014 A CA 1.587 53.679 52.037 0.092 0.000 0.655 1014 A CB -0.415 18.649 19.000 0.106 0.000 0.812 1014 A HN 0.222 nan 8.150 nan 0.000 0.462 1015 V N -2.179 117.806 119.914 0.119 0.000 3.570 1015 V HA -0.068 4.051 4.120 -0.001 0.000 0.257 1015 V C 2.283 178.460 176.094 0.138 0.000 1.272 1015 V CA 1.307 63.705 62.300 0.163 0.000 1.079 1015 V CB -0.255 31.626 31.823 0.096 0.000 0.829 1015 V HN 0.563 nan 8.190 nan 0.000 0.454 1016 T N 1.462 116.051 114.554 0.058 0.000 2.635 1016 T HA -0.330 4.019 4.350 -0.001 0.000 0.265 1016 T C 1.830 176.568 174.700 0.064 0.000 1.058 1016 T CA 2.601 64.697 62.100 -0.007 0.000 1.162 1016 T CB -0.370 68.460 68.868 -0.063 0.000 0.859 1016 T HN 0.308 nan 8.240 nan 0.000 0.449 1017 L N 0.075 121.393 121.223 0.158 0.000 2.109 1017 L HA 0.167 4.506 4.340 -0.001 0.000 0.207 1017 L C 1.992 179.009 176.870 0.245 0.000 1.086 1017 L CA 1.467 56.438 54.840 0.219 0.000 0.760 1017 L CB -0.850 41.340 42.059 0.218 0.000 0.910 1017 L HN 0.227 nan 8.230 nan 0.000 0.437 1018 F N -0.343 119.673 119.950 0.110 0.000 2.216 1018 F HA -0.210 4.316 4.527 -0.001 0.000 0.300 1018 F C 2.356 178.194 175.800 0.064 0.000 1.085 1018 F CA 1.362 59.431 58.000 0.115 0.000 1.326 1018 F CB -0.717 38.389 39.000 0.177 0.000 1.027 1018 F HN 0.175 nan 8.300 nan 0.000 0.497 1019 C N -1.031 118.248 119.300 -0.035 0.000 2.446 1019 C HA -0.104 4.355 4.460 -0.001 0.000 0.279 1019 C C 3.019 177.936 174.990 -0.120 0.000 1.366 1019 C CA 0.729 59.650 59.018 -0.161 0.000 1.763 1019 C CB -1.902 25.781 27.740 -0.095 0.000 1.929 1019 C HN 0.647 nan 8.230 nan 0.000 0.509 1020 C N 0.283 119.562 119.300 -0.034 0.000 2.425 1020 C HA -0.097 4.362 4.460 -0.001 0.000 0.277 1020 C C 2.582 177.575 174.990 0.004 0.000 1.280 1020 C CA 1.032 60.055 59.018 0.008 0.000 1.744 1020 C CB -1.450 26.350 27.740 0.100 0.000 1.989 1020 C HN 0.675 nan 8.230 nan 0.000 0.491 1021 L N 0.466 121.679 121.223 -0.017 0.000 2.093 1021 L HA -0.031 4.308 4.340 -0.001 0.000 0.208 1021 L C 2.212 179.018 176.870 -0.107 0.000 1.085 1021 L CA 1.605 56.433 54.840 -0.019 0.000 0.755 1021 L CB -0.722 41.349 42.059 0.021 0.000 0.904 1021 L HN 0.238 nan 8.230 nan 0.000 0.435 1022 L N -0.131 120.920 121.223 -0.288 0.000 2.017 1022 L HA -0.160 4.179 4.340 -0.001 0.000 0.208 1022 L C 2.669 179.482 176.870 -0.094 0.000 1.073 1022 L CA 1.793 56.452 54.840 -0.301 0.000 0.745 1022 L CB -0.567 41.203 42.059 -0.481 0.000 0.894 1022 L HN 0.234 nan 8.230 nan 0.000 0.432 1023 R N -0.722 119.742 120.500 -0.060 0.000 2.115 1023 R HA -0.071 4.268 4.340 -0.001 0.000 0.226 1023 R C 2.360 178.723 176.300 0.107 0.000 1.100 1023 R CA 1.234 57.346 56.100 0.019 0.000 0.980 1023 R CB -0.548 29.753 30.300 0.001 0.000 0.875 1023 R HN 0.629 nan 8.270 nan 0.000 0.445 1024 S N 0.387 116.153 115.700 0.110 0.000 2.402 1024 S HA -0.080 4.389 4.470 -0.001 0.000 0.229 1024 S C 1.915 176.706 174.600 0.317 0.000 1.021 1024 S CA 0.733 59.078 58.200 0.242 0.000 0.974 1024 S CB -0.001 63.306 63.200 0.178 0.000 0.800 1024 S HN 0.139 nan 8.310 nan 0.000 0.484 1025 R N 1.010 121.629 120.500 0.199 0.000 2.055 1025 R HA 0.404 4.743 4.340 -0.001 0.000 0.221 1025 R C 1.247 177.707 176.300 0.267 0.000 1.154 1025 R CA 0.778 57.021 56.100 0.238 0.000 0.975 1025 R CB -0.515 29.889 30.300 0.173 0.000 0.869 1025 R HN 0.353 nan 8.270 nan 0.000 0.437 1026 L N 1.406 122.746 121.223 0.195 0.000 2.919 1026 L HA 0.321 4.660 4.340 -0.001 0.000 0.242 1026 L C -0.134 176.838 176.870 0.169 0.000 1.366 1026 L CA -0.634 54.339 54.840 0.221 0.000 1.212 1026 L CB -0.327 41.837 42.059 0.174 0.000 1.604 1026 L HN 0.127 nan 8.230 nan 0.000 0.433 1027 A N -0.647 122.244 122.820 0.117 0.000 2.303 1027 A HA 0.455 4.774 4.320 -0.001 0.000 0.317 1027 A C 1.285 178.857 177.584 -0.020 0.000 1.149 1027 A CA -0.372 51.717 52.037 0.086 0.000 0.822 1027 A CB 0.870 19.983 19.000 0.189 0.000 1.131 1027 A HN 0.305 nan 8.150 nan 0.000 0.493 1028 T N 1.400 115.943 114.554 -0.018 0.000 2.570 1028 T HA -0.196 4.153 4.350 -0.001 0.000 0.266 1028 T C 2.196 176.814 174.700 -0.137 0.000 1.071 1028 T CA 1.801 63.855 62.100 -0.077 0.000 1.172 1028 T CB -0.258 68.579 68.868 -0.052 0.000 0.864 1028 T HN 0.612 nan 8.240 nan 0.000 0.421 1029 R N 0.926 121.342 120.500 -0.141 0.000 2.112 1029 R HA -0.083 4.256 4.340 -0.001 0.000 0.242 1029 R C 2.617 178.747 176.300 -0.284 0.000 1.137 1029 R CA 1.705 57.687 56.100 -0.197 0.000 0.944 1029 R CB -0.594 29.580 30.300 -0.211 0.000 0.857 1029 R HN 0.423 nan 8.270 nan 0.000 0.435 1030 R N -0.406 119.865 120.500 -0.382 0.000 2.082 1030 R HA -0.120 4.219 4.340 -0.001 0.000 0.234 1030 R C 2.285 178.185 176.300 -0.666 0.000 1.136 1030 R CA 1.833 57.605 56.100 -0.545 0.000 0.935 1030 R CB -0.644 29.315 30.300 -0.568 0.000 0.842 1030 R HN 0.074 nan 8.270 nan 0.000 0.430 1031 V N 1.340 120.985 119.914 -0.449 0.000 2.527 1031 V HA -0.245 3.874 4.120 -0.001 0.000 0.255 1031 V C 2.030 178.002 176.094 -0.203 0.000 1.081 1031 V CA 1.666 63.820 62.300 -0.244 0.000 1.092 1031 V CB -0.374 31.441 31.823 -0.013 0.000 0.673 1031 V HN 0.328 nan 8.190 nan 0.000 0.470 1032 L N -1.832 119.253 121.223 -0.230 0.000 2.500 1032 L HA 0.103 4.442 4.340 -0.001 0.000 0.219 1032 L C 2.275 179.044 176.870 -0.168 0.000 1.057 1032 L CA 0.639 55.376 54.840 -0.171 0.000 0.854 1032 L CB -0.116 41.852 42.059 -0.150 0.000 1.078 1032 L HN 0.232 nan 8.230 nan 0.000 0.480 1033 Q N 0.256 119.932 119.800 -0.206 0.000 2.200 1033 Q HA -0.067 4.272 4.340 -0.001 0.000 0.197 1033 Q C 1.882 177.787 176.000 -0.159 0.000 0.953 1033 Q CA 0.869 56.574 55.803 -0.165 0.000 0.851 1033 Q CB 0.543 29.182 28.738 -0.164 0.000 0.938 1033 Q HN 0.336 nan 8.270 nan 0.000 0.488 1034 E N -0.666 119.381 120.200 -0.256 0.000 2.030 1034 E HA -0.062 4.287 4.350 -0.001 0.000 0.189 1034 E C -0.498 176.075 176.600 -0.047 0.000 0.974 1034 E CA 0.756 57.047 56.400 -0.181 0.000 0.807 1034 E CB 0.270 29.804 29.700 -0.276 0.000 0.771 1034 E HN 0.338 nan 8.360 nan 0.000 0.451 1035 Y N -1.097 119.180 120.300 -0.038 0.000 2.447 1035 Y HA 0.486 5.036 4.550 -0.001 0.000 0.325 1035 Y C -0.422 175.426 175.900 -0.086 0.000 0.976 1035 Y CA -0.915 57.156 58.100 -0.049 0.000 1.280 1035 Y CB 0.572 39.033 38.460 0.002 0.000 1.104 1035 Y HN -0.300 nan 8.280 nan 0.000 0.486 1036 R N 4.238 124.701 120.500 -0.061 0.000 4.556 1036 R HA 0.188 4.527 4.340 -0.001 0.000 0.197 1036 R C -0.273 175.997 176.300 -0.050 0.000 1.791 1036 R CA -0.249 55.783 56.100 -0.112 0.000 1.526 1036 R CB -0.041 30.123 30.300 -0.226 0.000 1.410 1036 R HN 0.679 nan 8.270 nan 0.000 0.826 1037 L N 1.251 122.499 121.223 0.042 0.000 2.499 1037 L HA 0.023 4.362 4.340 -0.001 0.000 0.281 1037 L C 1.265 178.135 176.870 -0.001 0.000 1.234 1037 L CA 1.136 56.019 54.840 0.071 0.000 0.839 1037 L CB 0.523 42.717 42.059 0.225 0.000 1.104 1037 L HN 0.418 nan 8.230 nan 0.000 0.500 1038 T N -1.220 113.325 114.554 -0.014 0.000 2.949 1038 T HA 0.287 4.636 4.350 -0.001 0.000 0.287 1038 T C 0.787 175.472 174.700 -0.025 0.000 1.034 1038 T CA -0.831 61.244 62.100 -0.041 0.000 1.018 1038 T CB 1.988 70.827 68.868 -0.049 0.000 1.135 1038 T HN 0.462 nan 8.240 nan 0.000 0.532 1039 K N 0.311 120.692 120.400 -0.033 0.000 2.160 1039 K HA -0.190 4.130 4.320 -0.001 0.000 0.206 1039 K C 2.141 178.752 176.600 0.019 0.000 1.047 1039 K CA 1.955 58.244 56.287 0.003 0.000 0.930 1039 K CB -0.461 32.031 32.500 -0.013 0.000 0.720 1039 K HN 0.763 nan 8.250 nan 0.000 0.450 1040 Q N -0.934 118.821 119.800 -0.075 0.000 2.062 1040 Q HA 0.007 4.346 4.340 -0.001 0.000 0.196 1040 Q C 1.914 177.678 176.000 -0.392 0.000 0.967 1040 Q CA 1.149 56.856 55.803 -0.160 0.000 0.832 1040 Q CB -0.219 28.426 28.738 -0.154 0.000 0.899 1040 Q HN 0.375 nan 8.270 nan 0.000 0.442 1041 A N 0.328 122.786 122.820 -0.603 0.000 1.933 1041 A HA -0.178 4.142 4.320 -0.001 0.000 0.218 1041 A C 1.827 179.366 177.584 -0.075 0.000 1.175 1041 A CA 1.113 52.726 52.037 -0.706 0.000 0.628 1041 A CB -0.930 17.773 19.000 -0.495 0.000 0.814 1041 A HN 0.588 nan 8.150 nan 0.000 0.444 1042 F N 1.413 121.302 119.950 -0.102 0.000 2.134 1042 F HA -0.192 4.334 4.527 -0.001 0.000 0.299 1042 F C 1.597 177.417 175.800 0.033 0.000 1.097 1042 F CA 2.112 60.112 58.000 -0.000 0.000 1.264 1042 F CB -0.105 38.888 39.000 -0.012 0.000 1.001 1042 F HN 0.275 nan 8.300 nan 0.000 0.479 1043 D N -1.115 119.329 120.400 0.072 0.000 2.149 1043 D HA -0.207 4.432 4.640 -0.001 0.000 0.201 1043 D C 1.814 178.120 176.300 0.010 0.000 0.972 1043 D CA 1.080 55.089 54.000 0.016 0.000 0.835 1043 D CB -0.986 39.864 40.800 0.083 0.000 0.966 1043 D HN 0.510 nan 8.370 nan 0.000 0.476 1044 W N 1.531 122.765 121.300 -0.110 0.000 2.338 1044 W HA -0.222 4.437 4.660 -0.002 0.000 0.304 1044 W C 2.044 178.522 176.519 -0.067 0.000 1.212 1044 W CA 1.317 58.640 57.345 -0.037 0.000 1.264 1044 W CB -0.271 29.210 29.460 0.035 0.000 1.142 1044 W HN -0.226 nan 8.180 nan 0.000 0.512 1045 V N 0.659 120.602 119.914 0.047 0.000 2.295 1045 V HA -0.306 3.813 4.120 -0.001 0.000 0.246 1045 V C 2.218 178.135 176.094 -0.296 0.000 1.049 1045 V CA 1.763 63.972 62.300 -0.152 0.000 1.024 1045 V CB -1.041 30.721 31.823 -0.102 0.000 0.648 1045 V HN 0.108 nan 8.190 nan 0.000 0.447 1046 L N -0.251 120.755 121.223 -0.361 0.000 2.353 1046 L HA -0.097 4.242 4.340 -0.001 0.000 0.220 1046 L C 2.495 179.245 176.870 -0.201 0.000 1.133 1046 L CA 1.828 56.493 54.840 -0.293 0.000 0.798 1046 L CB -0.814 41.066 42.059 -0.299 0.000 0.922 1046 L HN 0.309 nan 8.230 nan 0.000 0.445 1047 S N -1.335 114.228 115.700 -0.229 0.000 2.404 1047 S HA -0.029 4.440 4.470 -0.001 0.000 0.223 1047 S C 1.827 176.273 174.600 -0.256 0.000 1.040 1047 S CA 0.390 58.467 58.200 -0.206 0.000 0.957 1047 S CB -0.049 63.044 63.200 -0.178 0.000 0.826 1047 S HN 0.491 nan 8.310 nan 0.000 0.491 1048 N N 1.527 119.971 118.700 -0.427 0.000 2.025 1048 N HA -0.091 4.648 4.740 -0.001 0.000 0.194 1048 N C 1.813 177.225 175.510 -0.163 0.000 1.044 1048 N CA 1.826 54.658 53.050 -0.364 0.000 0.851 1048 N CB -0.471 37.686 38.487 -0.549 0.000 1.036 1048 N HN 0.388 nan 8.380 nan 0.000 0.422 1049 I N 1.467 121.958 120.570 -0.130 0.000 2.236 1049 I HA -0.296 3.873 4.170 -0.001 0.000 0.249 1049 I C 2.525 178.685 176.117 0.071 0.000 1.102 1049 I CA 1.305 62.613 61.300 0.012 0.000 1.365 1049 I CB -0.269 37.731 38.000 -0.001 0.000 1.051 1049 I HN 0.306 nan 8.210 nan 0.000 0.420 1050 E N 0.837 121.035 120.200 -0.003 0.000 2.028 1050 E HA -0.182 4.167 4.350 -0.001 0.000 0.190 1050 E C 2.333 178.977 176.600 0.072 0.000 0.984 1050 E CA 1.096 57.515 56.400 0.032 0.000 0.800 1050 E CB -0.015 29.673 29.700 -0.021 0.000 0.758 1050 E HN 0.463 nan 8.360 nan 0.000 0.448 1051 A N 1.254 124.076 122.820 0.003 0.000 1.865 1051 A HA -0.258 4.061 4.320 -0.001 0.000 0.217 1051 A C 2.105 179.696 177.584 0.012 0.000 1.191 1051 A CA 1.773 53.807 52.037 -0.005 0.000 0.623 1051 A CB -0.700 18.271 19.000 -0.048 0.000 0.826 1051 A HN 0.322 nan 8.150 nan 0.000 0.444 1052 Q N -1.861 117.944 119.800 0.009 0.000 2.170 1052 Q HA -0.186 4.153 4.340 -0.001 0.000 0.203 1052 Q C 1.953 177.954 176.000 0.002 0.000 0.976 1052 Q CA 1.552 57.359 55.803 0.007 0.000 0.858 1052 Q CB -0.354 28.397 28.738 0.022 0.000 0.907 1052 Q HN 0.747 nan 8.270 nan 0.000 0.433 1053 F N 1.591 121.497 119.950 -0.073 0.000 2.075 1053 F HA -0.199 4.327 4.527 -0.001 0.000 0.297 1053 F C 1.954 177.684 175.800 -0.116 0.000 1.113 1053 F CA 1.254 59.183 58.000 -0.118 0.000 1.218 1053 F CB -0.165 38.793 39.000 -0.069 0.000 0.984 1053 F HN -0.074 nan 8.300 nan 0.000 0.472 1054 L N 0.092 121.385 121.223 0.116 0.000 2.042 1054 L HA -0.235 4.104 4.340 -0.001 0.000 0.210 1054 L C 2.541 179.319 176.870 -0.154 0.000 1.076 1054 L CA 1.489 56.322 54.840 -0.012 0.000 0.749 1054 L CB -0.789 41.297 42.059 0.045 0.000 0.893 1054 L HN 0.041 nan 8.230 nan 0.000 0.432 1055 R N -0.577 119.838 120.500 -0.142 0.000 2.249 1055 R HA -0.099 4.241 4.340 -0.001 0.000 0.230 1055 R C 2.195 178.211 176.300 -0.472 0.000 1.121 1055 R CA 1.102 57.078 56.100 -0.206 0.000 0.997 1055 R CB -0.172 30.058 30.300 -0.118 0.000 0.867 1055 R HN 0.282 nan 8.270 nan 0.000 0.465 1056 S N -0.151 115.268 115.700 -0.470 0.000 2.501 1056 S HA 0.063 4.532 4.470 -0.001 0.000 0.220 1056 S C 0.623 174.960 174.600 -0.438 0.000 0.997 1056 S CA -0.117 57.755 58.200 -0.547 0.000 0.919 1056 S CB 0.433 63.372 63.200 -0.435 0.000 0.778 1056 S HN -0.039 nan 8.310 nan 0.000 0.523 1057 V N 2.082 121.759 119.914 -0.396 0.000 2.999 1057 V HA 0.104 4.223 4.120 -0.001 0.000 0.307 1057 V C 0.764 176.819 176.094 -0.065 0.000 1.084 1057 V CA -0.273 61.885 62.300 -0.236 0.000 1.155 1057 V CB 0.867 32.569 31.823 -0.201 0.000 0.975 1057 V HN 0.108 nan 8.190 nan 0.000 0.490 1058 V N 3.969 123.896 119.914 0.023 0.000 2.775 1058 V HA 0.137 4.256 4.120 -0.001 0.000 0.299 1058 V C 0.386 176.528 176.094 0.079 0.000 1.062 1058 V CA -0.226 62.134 62.300 0.100 0.000 1.063 1058 V CB 0.718 32.597 31.823 0.093 0.000 0.994 1058 V HN 0.825 nan 8.190 nan 0.000 0.483 1059 H N 5.877 124.903 119.070 -0.075 0.000 2.668 1059 H HA 0.250 4.805 4.556 -0.001 0.000 0.303 1059 H C -2.254 172.989 175.328 -0.141 0.000 1.074 1059 H CA -1.779 54.223 56.048 -0.077 0.000 1.406 1059 H CB 1.309 31.040 29.762 -0.052 0.000 1.442 1059 H HN 0.506 nan 8.280 nan 0.000 0.482 1060 P HA -0.073 nan 4.420 nan 0.000 0.261 1060 P C 0.905 177.977 177.300 -0.379 0.000 1.183 1060 P CA 1.163 64.053 63.100 -0.350 0.000 0.761 1060 P CB 0.564 31.915 31.700 -0.582 0.000 0.785 1061 G N 2.226 110.812 108.800 -0.356 0.000 2.481 1061 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.200 1061 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.200 1061 G C 0.036 174.823 174.900 -0.189 0.000 1.012 1061 G CA -0.542 44.409 45.100 -0.249 0.000 0.676 1061 G HN 0.478 nan 8.290 nan 0.000 0.488 1062 E N 1.999 122.098 120.200 -0.167 0.000 2.585 1062 E HA 0.109 4.458 4.350 -0.001 0.000 0.252 1062 E C 0.624 177.111 176.600 -0.189 0.000 0.981 1062 E CA 0.402 56.702 56.400 -0.168 0.000 0.943 1062 E CB 0.224 29.798 29.700 -0.210 0.000 0.923 1062 E HN 0.258 nan 8.360 nan 0.000 0.486 1063 M N 4.561 124.071 119.600 -0.150 0.000 2.557 1063 M HA 0.022 4.501 4.480 -0.001 0.000 0.328 1063 M C 0.972 177.198 176.300 -0.124 0.000 1.423 1063 M CA -0.099 55.122 55.300 -0.132 0.000 1.418 1063 M CB -0.076 32.460 32.600 -0.107 0.000 1.381 1063 M HN 0.189 nan 8.290 nan 0.000 0.467 1064 V N 2.152 121.980 119.914 -0.144 0.000 2.951 1064 V HA -0.048 4.071 4.120 -0.001 0.000 0.255 1064 V C 2.237 178.318 176.094 -0.021 0.000 1.088 1064 V CA 1.751 63.990 62.300 -0.100 0.000 1.109 1064 V CB -0.807 30.902 31.823 -0.190 0.000 0.724 1064 V HN 0.916 nan 8.190 nan 0.000 0.471 1065 G N 0.768 109.540 108.800 -0.046 0.000 2.587 1065 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.217 1065 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.217 1065 G C 1.651 176.512 174.900 -0.066 0.000 1.240 1065 G CA 1.498 46.567 45.100 -0.051 0.000 0.794 1065 G HN 0.342 nan 8.290 nan 0.000 0.580 1066 V N 0.913 120.782 119.914 -0.075 0.000 2.343 1066 V HA -0.121 3.998 4.120 -0.001 0.000 0.247 1066 V C 2.781 178.825 176.094 -0.084 0.000 1.051 1066 V CA 1.592 63.844 62.300 -0.080 0.000 1.036 1066 V CB -0.505 31.274 31.823 -0.073 0.000 0.654 1066 V HN 0.368 nan 8.190 nan 0.000 0.451 1067 L N -0.275 120.900 121.223 -0.080 0.000 2.081 1067 L HA -0.233 4.106 4.340 -0.001 0.000 0.212 1067 L C 2.456 179.217 176.870 -0.181 0.000 1.080 1067 L CA 1.771 56.548 54.840 -0.105 0.000 0.754 1067 L CB -0.385 41.635 42.059 -0.065 0.000 0.893 1067 L HN 0.384 nan 8.230 nan 0.000 0.433 1068 A N -0.724 122.032 122.820 -0.107 0.000 1.843 1068 A HA -0.061 4.258 4.320 -0.001 0.000 0.213 1068 A C 2.466 179.971 177.584 -0.132 0.000 1.202 1068 A CA 1.259 53.227 52.037 -0.115 0.000 0.607 1068 A CB -1.010 18.030 19.000 0.067 0.000 0.847 1068 A HN 0.472 nan 8.150 nan 0.000 0.445 1069 A N -0.293 122.466 122.820 -0.102 0.000 1.923 1069 A HA -0.370 3.949 4.320 -0.001 0.000 0.222 1069 A C 2.106 179.625 177.584 -0.107 0.000 1.258 1069 A CA 2.335 54.307 52.037 -0.108 0.000 0.670 1069 A CB -0.921 18.009 19.000 -0.117 0.000 0.834 1069 A HN 0.689 nan 8.150 nan 0.000 0.470 1070 Q N -1.067 118.669 119.800 -0.107 0.000 2.230 1070 Q HA -0.038 4.301 4.340 -0.001 0.000 0.202 1070 Q C 2.258 178.201 176.000 -0.095 0.000 0.963 1070 Q CA 1.271 57.024 55.803 -0.084 0.000 0.866 1070 Q CB -0.090 28.623 28.738 -0.042 0.000 0.931 1070 Q HN 0.646 nan 8.270 nan 0.000 0.452 1071 S N 0.282 115.878 115.700 -0.172 0.000 2.481 1071 S HA 0.023 4.492 4.470 -0.001 0.000 0.231 1071 S C 1.717 176.241 174.600 -0.126 0.000 0.996 1071 S CA 0.673 58.745 58.200 -0.213 0.000 0.942 1071 S CB 0.109 62.956 63.200 -0.588 0.000 0.768 1071 S HN 0.306 nan 8.310 nan 0.000 0.520 1072 I N 0.003 120.512 120.570 -0.103 0.000 3.039 1072 I HA 0.139 4.308 4.170 -0.001 0.000 0.270 1072 I C 2.615 178.688 176.117 -0.073 0.000 1.150 1072 I CA 0.612 61.873 61.300 -0.066 0.000 1.448 1072 I CB -0.801 37.168 38.000 -0.051 0.000 1.197 1072 I HN 0.284 nan 8.210 nan 0.000 0.450 1073 G N 0.782 109.531 108.800 -0.085 0.000 2.422 1073 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.218 1073 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.218 1073 G C 1.561 176.399 174.900 -0.104 0.000 1.146 1073 G CA 0.535 45.584 45.100 -0.084 0.000 0.769 1073 G HN 0.258 nan 8.290 nan 0.000 0.547 1074 E N 1.076 121.192 120.200 -0.140 0.000 2.047 1074 E HA -0.074 4.275 4.350 -0.001 0.000 0.191 1074 E C 0.144 176.655 176.600 -0.148 0.000 0.987 1074 E CA 1.222 57.493 56.400 -0.215 0.000 0.799 1074 E CB -0.701 28.759 29.700 -0.401 0.000 0.752 1074 E HN 0.345 nan 8.360 nan 0.000 0.449 1075 P HA -0.046 nan 4.420 nan 0.000 0.221 1075 P C 1.183 178.452 177.300 -0.051 0.000 1.150 1075 P CA 1.510 64.576 63.100 -0.058 0.000 0.800 1075 P CB -0.147 31.532 31.700 -0.035 0.000 0.787 1076 A N 0.530 123.316 122.820 -0.057 0.000 1.917 1076 A HA -0.183 4.136 4.320 -0.001 0.000 0.219 1076 A C 2.187 179.745 177.584 -0.043 0.000 1.182 1076 A CA 2.600 54.609 52.037 -0.046 0.000 0.633 1076 A CB -1.993 16.979 19.000 -0.048 0.000 0.819 1076 A HN 0.263 nan 8.150 nan 0.000 0.448 1077 T N -0.082 114.438 114.554 -0.057 0.000 3.007 1077 T HA -0.069 4.281 4.350 -0.001 0.000 0.270 1077 T C 1.428 176.103 174.700 -0.042 0.000 1.107 1077 T CA 1.248 63.317 62.100 -0.051 0.000 1.118 1077 T CB -0.118 68.710 68.868 -0.068 0.000 0.889 1077 T HN 0.515 nan 8.240 nan 0.000 0.506 1078 Q N 0.308 120.084 119.800 -0.040 0.000 2.403 1078 Q HA 0.297 4.637 4.340 -0.001 0.000 0.203 1078 Q C 0.554 176.548 176.000 -0.009 0.000 0.932 1078 Q CA 0.095 55.885 55.803 -0.023 0.000 0.945 1078 Q CB -0.297 28.430 28.738 -0.018 0.000 1.045 1078 Q HN 0.578 nan 8.270 nan 0.000 0.511 1079 M N 0.985 120.578 119.600 -0.012 0.000 2.233 1079 M HA 0.164 4.643 4.480 -0.001 0.000 0.350 1079 M C 0.023 176.323 176.300 -0.001 0.000 1.176 1079 M CA 0.568 55.866 55.300 -0.004 0.000 1.150 1079 M CB 0.802 33.393 32.600 -0.015 0.000 1.530 1079 M HN -0.172 nan 8.290 nan 0.000 0.459 1080 T N 2.267 116.832 114.554 0.017 0.000 2.926 1080 T HA 0.580 4.929 4.350 -0.001 0.000 0.289 1080 T C -0.249 174.462 174.700 0.019 0.000 1.054 1080 T CA -0.766 61.348 62.100 0.023 0.000 1.015 1080 T CB 1.270 70.170 68.868 0.052 0.000 1.167 1080 T HN 0.727 nan 8.240 nan 0.000 0.526 1081 L N 2.181 123.410 121.223 0.010 0.000 3.521 1081 L HA -0.228 4.111 4.340 -0.001 0.000 0.653 1081 L C 0.968 177.767 176.870 -0.118 0.000 1.077 1081 L CA -0.061 54.763 54.840 -0.026 0.000 1.144 1081 L CB -1.177 40.913 42.059 0.053 0.000 1.447 1081 L HN 0.871 nan 8.230 nan 0.000 0.811 1082 N N -1.709 116.906 118.700 -0.141 0.000 2.494 1082 N HA -0.068 4.671 4.740 -0.001 0.000 0.182 1082 N C 0.988 176.286 175.510 -0.354 0.000 1.076 1082 N CA 0.722 53.655 53.050 -0.196 0.000 0.908 1082 N CB 0.121 38.529 38.487 -0.131 0.000 0.967 1082 N HN 0.588 nan 8.380 nan 0.000 0.449 1083 T N -0.152 114.158 114.554 -0.407 0.000 3.875 1083 T HA 0.272 4.621 4.350 -0.001 0.000 0.189 1083 T C 0.099 174.178 174.700 -1.034 0.000 0.742 1083 T CA 0.687 62.317 62.100 -0.783 0.000 2.566 1083 T CB -0.150 68.464 68.868 -0.423 0.000 1.859 1083 T HN 0.308 nan 8.240 nan 0.000 0.318 1084 F N -1.368 118.501 119.950 -0.135 0.000 3.870 1084 F HA 0.339 4.865 4.527 -0.001 0.000 0.319 1084 F C 0.314 176.073 175.800 -0.069 0.000 0.975 1084 F CA -1.078 56.772 58.000 -0.250 0.000 0.799 1084 F CB -0.060 38.639 39.000 -0.502 0.000 1.712 1084 F HN 0.533 nan 8.300 nan 0.000 0.460 1085 H N -0.793 118.585 119.070 0.513 0.000 2.893 1085 H HA 0.309 4.864 4.556 -0.002 0.000 0.270 1085 H C 1.051 176.559 175.328 0.300 0.000 1.095 1085 H CA 0.137 56.389 56.048 0.340 0.000 1.186 1085 H CB -0.043 29.853 29.762 0.224 0.000 1.562 1085 H HN 0.348 nan 8.280 nan 0.000 0.536 1086 F N 2.894 122.768 119.950 -0.127 0.000 2.287 1086 F HA -0.099 4.427 4.527 -0.001 0.000 0.301 1086 F C 2.744 178.408 175.800 -0.228 0.000 1.069 1086 F CA 0.743 58.507 58.000 -0.394 0.000 1.372 1086 F CB -0.786 37.528 39.000 -1.143 0.000 1.056 1086 F HN 0.280 nan 8.300 nan 0.000 0.523 1087 A N 0.781 123.771 122.820 0.283 0.000 1.940 1087 A HA -0.239 4.080 4.320 -0.001 0.000 0.221 1087 A C 2.721 180.391 177.584 0.144 0.000 1.190 1087 A CA 2.113 54.339 52.037 0.315 0.000 0.647 1087 A CB -1.618 17.582 19.000 0.334 0.000 0.821 1087 A HN 0.425 nan 8.150 nan 0.000 0.457 1088 G N -0.830 108.026 108.800 0.094 0.000 2.505 1088 G HA2 -0.067 3.892 3.960 -0.001 0.000 0.220 1088 G HA3 -0.067 3.892 3.960 -0.001 0.000 0.220 1088 G C 0.734 175.624 174.900 -0.016 0.000 1.145 1088 G CA 1.128 46.241 45.100 0.022 0.000 0.761 1088 G HN 0.522 nan 8.290 nan 0.000 0.571 1089 V N 1.295 121.200 119.914 -0.015 0.000 2.455 1089 V HA 0.488 4.607 4.120 -0.001 0.000 0.273 1089 V C 1.262 177.365 176.094 0.014 0.000 1.045 1089 V CA 0.017 62.303 62.300 -0.024 0.000 0.976 1089 V CB 1.084 32.880 31.823 -0.047 0.000 0.993 1089 V HN 0.353 nan 8.190 nan 0.000 0.475 1090 A N 3.743 126.574 122.820 0.019 0.000 2.235 1090 A HA 0.085 4.404 4.320 -0.001 0.000 0.208 1090 A C 1.814 179.433 177.584 0.057 0.000 1.172 1090 A CA 0.977 53.042 52.037 0.048 0.000 0.786 1090 A CB -0.149 18.870 19.000 0.032 0.000 0.804 1090 A HN 0.990 nan 8.150 nan 0.000 0.479 1091 S N -1.917 113.809 115.700 0.043 0.000 2.628 1091 S HA 0.167 4.636 4.470 -0.001 0.000 0.246 1091 S C 1.241 175.868 174.600 0.043 0.000 1.062 1091 S CA 0.240 58.468 58.200 0.048 0.000 1.028 1091 S CB -0.312 62.913 63.200 0.042 0.000 0.985 1091 S HN 0.375 nan 8.310 nan 0.000 0.551 1092 K N 2.175 122.581 120.400 0.011 0.000 2.574 1092 K HA 0.099 4.418 4.320 -0.001 0.000 0.193 1092 K C -0.066 176.497 176.600 -0.062 0.000 1.035 1092 K CA 0.254 56.535 56.287 -0.009 0.000 0.982 1092 K CB -0.045 32.417 32.500 -0.063 0.000 0.795 1092 K HN 0.181 nan 8.250 nan 0.000 0.491 1093 K N 2.070 122.479 120.400 0.016 0.000 2.086 1093 K HA -0.003 4.316 4.320 -0.001 0.000 0.215 1093 K C -0.342 176.378 176.600 0.200 0.000 1.207 1093 K CA 0.167 56.590 56.287 0.227 0.000 1.206 1093 K CB -0.557 32.130 32.500 0.311 0.000 1.253 1093 K HN 0.019 nan 8.250 nan 0.000 0.234 1094 V N -0.542 119.444 119.914 0.119 0.000 2.406 1094 V HA 0.122 4.241 4.120 -0.001 0.000 0.272 1094 V C 0.474 176.672 176.094 0.173 0.000 1.043 1094 V CA -0.986 61.392 62.300 0.129 0.000 0.915 1094 V CB 0.704 32.595 31.823 0.113 0.000 0.988 1094 V HN 0.361 nan 8.190 nan 0.000 0.466 1095 T N 4.521 119.149 114.554 0.123 0.000 2.708 1095 T HA 0.243 4.592 4.350 -0.001 0.000 0.271 1095 T C 0.710 175.426 174.700 0.027 0.000 0.985 1095 T CA 0.589 62.726 62.100 0.062 0.000 1.229 1095 T CB -0.540 68.349 68.868 0.035 0.000 0.934 1095 T HN 1.199 nan 8.240 nan 0.000 0.522 1096 S N 2.570 118.258 115.700 -0.020 0.000 2.786 1096 S HA 0.914 5.383 4.470 -0.001 0.000 0.307 1096 S C 0.883 175.433 174.600 -0.083 0.000 1.121 1096 S CA -0.251 57.910 58.200 -0.065 0.000 0.975 1096 S CB 1.466 64.576 63.200 -0.151 0.000 1.220 1096 S HN 1.372 nan 8.310 nan 0.000 0.550 1097 G N 0.121 108.879 108.800 -0.070 0.000 2.566 1097 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.280 1097 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.280 1097 G C 0.736 175.608 174.900 -0.047 0.000 1.225 1097 G CA 0.301 45.364 45.100 -0.062 0.000 0.966 1097 G HN 1.481 nan 8.290 nan 0.000 0.560 1098 V N 3.323 123.208 119.914 -0.048 0.000 2.358 1098 V HA -0.062 4.058 4.120 -0.001 0.000 0.246 1098 V C 0.587 176.666 176.094 -0.024 0.000 1.047 1098 V CA 2.798 65.079 62.300 -0.032 0.000 1.035 1098 V CB -1.309 30.498 31.823 -0.027 0.000 0.658 1098 V HN 0.704 nan 8.190 nan 0.000 0.452 1099 P HA -0.169 nan 4.420 nan 0.000 0.225 1099 P C 1.436 178.733 177.300 -0.005 0.000 1.148 1099 P CA 1.242 64.328 63.100 -0.024 0.000 0.779 1099 P CB 0.091 31.762 31.700 -0.048 0.000 0.780 1100 R N 0.244 120.739 120.500 -0.007 0.000 2.055 1100 R HA -0.000 4.339 4.340 -0.001 0.000 0.226 1100 R C 2.264 178.585 176.300 0.035 0.000 1.135 1100 R CA 0.826 56.938 56.100 0.020 0.000 0.959 1100 R CB -1.768 28.542 30.300 0.016 0.000 0.854 1100 R HN -0.027 nan 8.270 nan 0.000 0.431 1101 L N 1.539 122.770 121.223 0.014 0.000 2.103 1101 L HA -0.223 4.116 4.340 -0.001 0.000 0.215 1101 L C 2.144 179.028 176.870 0.024 0.000 1.080 1101 L CA 1.969 56.815 54.840 0.010 0.000 0.764 1101 L CB -0.556 41.496 42.059 -0.011 0.000 0.890 1101 L HN 0.253 nan 8.230 nan 0.000 0.435 1102 K N -0.758 119.657 120.400 0.025 0.000 2.026 1102 K HA -0.209 4.110 4.320 -0.001 0.000 0.208 1102 K C 1.971 178.606 176.600 0.058 0.000 1.048 1102 K CA 1.829 58.138 56.287 0.035 0.000 0.929 1102 K CB -0.040 32.480 32.500 0.034 0.000 0.713 1102 K HN 0.472 nan 8.250 nan 0.000 0.439 1103 E N 0.510 120.749 120.200 0.066 0.000 2.038 1103 E HA -0.201 4.148 4.350 -0.001 0.000 0.195 1103 E C 2.092 178.784 176.600 0.153 0.000 1.000 1103 E CA 1.521 57.975 56.400 0.090 0.000 0.803 1103 E CB -0.115 29.634 29.700 0.082 0.000 0.750 1103 E HN 0.278 nan 8.360 nan 0.000 0.448 1104 I N 0.883 121.559 120.570 0.176 0.000 2.127 1104 I HA -0.297 3.872 4.170 -0.001 0.000 0.241 1104 I C 2.331 178.559 176.117 0.185 0.000 1.075 1104 I CA 1.147 62.600 61.300 0.255 0.000 1.334 1104 I CB -0.260 37.804 38.000 0.108 0.000 1.040 1104 I HN 0.119 nan 8.210 nan 0.000 0.405 1105 L N 0.500 121.776 121.223 0.088 0.000 2.265 1105 L HA -0.163 4.176 4.340 -0.001 0.000 0.215 1105 L C 1.641 178.567 176.870 0.094 0.000 1.117 1105 L CA 0.835 55.709 54.840 0.056 0.000 0.782 1105 L CB -0.568 41.494 42.059 0.005 0.000 0.914 1105 L HN 0.331 nan 8.230 nan 0.000 0.441 1106 N N -0.640 118.129 118.700 0.116 0.000 2.336 1106 N HA 0.042 4.781 4.740 -0.001 0.000 0.189 1106 N C 0.399 175.991 175.510 0.137 0.000 1.113 1106 N CA 0.151 53.273 53.050 0.120 0.000 0.858 1106 N CB 0.565 39.112 38.487 0.100 0.000 0.970 1106 N HN -0.071 nan 8.380 nan 0.000 0.471 1107 V N 0.958 120.988 119.914 0.193 0.000 5.746 1107 V HA -0.282 3.837 4.120 -0.001 0.000 0.220 1107 V C 0.575 176.700 176.094 0.053 0.000 0.688 1107 V CA 0.412 62.823 62.300 0.185 0.000 0.550 1107 V CB -2.633 29.307 31.823 0.195 0.000 0.219 1107 V HN 0.367 nan 8.190 nan 0.000 0.512 1108 A N 3.678 126.520 122.820 0.037 0.000 2.404 1108 A HA 0.522 4.841 4.320 -0.001 0.000 0.273 1108 A C 1.420 178.968 177.584 -0.061 0.000 1.144 1108 A CA -0.324 51.713 52.037 0.000 0.000 0.806 1108 A CB 0.397 19.410 19.000 0.022 0.000 1.080 1108 A HN 0.591 nan 8.150 nan 0.000 0.509 1109 K N 2.178 122.545 120.400 -0.055 0.000 2.211 1109 K HA -0.130 4.189 4.320 -0.001 0.000 0.203 1109 K C 0.107 176.667 176.600 -0.066 0.000 1.050 1109 K CA 1.525 57.767 56.287 -0.075 0.000 0.945 1109 K CB -0.417 32.051 32.500 -0.053 0.000 0.732 1109 K HN 0.912 nan 8.250 nan 0.000 0.451 1110 N N 1.528 120.202 118.700 -0.043 0.000 2.976 1110 N HA 0.246 4.985 4.740 -0.001 0.000 0.255 1110 N C -0.107 175.390 175.510 -0.022 0.000 1.312 1110 N CA -0.407 52.624 53.050 -0.031 0.000 0.897 1110 N CB 0.487 38.962 38.487 -0.020 0.000 1.184 1110 N HN 0.022 nan 8.380 nan 0.000 0.497 1111 M N -0.819 118.763 119.600 -0.030 0.000 2.255 1111 M HA 0.318 4.797 4.480 -0.001 0.000 0.336 1111 M C 0.704 177.003 176.300 -0.001 0.000 1.135 1111 M CA -0.543 54.750 55.300 -0.012 0.000 1.145 1111 M CB 1.625 34.215 32.600 -0.018 0.000 1.473 1111 M HN 0.047 nan 8.290 nan 0.000 0.462 1112 K N 0.580 120.986 120.400 0.011 0.000 2.057 1112 K HA -0.002 4.317 4.320 -0.001 0.000 0.207 1112 K C 0.103 176.719 176.600 0.027 0.000 1.049 1112 K CA 1.470 57.767 56.287 0.017 0.000 0.931 1112 K CB 0.132 32.643 32.500 0.018 0.000 0.714 1112 K HN 0.847 nan 8.250 nan 0.000 0.440 1113 T N 2.408 116.983 114.554 0.036 0.000 3.401 1113 T HA 0.283 4.632 4.350 -0.001 0.000 0.341 1113 T C -2.713 172.011 174.700 0.040 0.000 1.674 1113 T CA -1.489 60.640 62.100 0.047 0.000 1.600 1113 T CB 1.287 70.198 68.868 0.073 0.000 0.974 1113 T HN -0.087 nan 8.240 nan 0.000 0.672 1114 P HA 0.456 nan 4.420 nan 0.000 0.275 1114 P C -0.380 176.931 177.300 0.018 0.000 1.228 1114 P CA -0.254 62.850 63.100 0.005 0.000 0.786 1114 P CB 0.805 32.494 31.700 -0.017 0.000 0.927 1115 S N 2.198 117.907 115.700 0.016 0.000 2.543 1115 S HA 0.440 4.909 4.470 -0.001 0.000 0.271 1115 S C -1.468 173.138 174.600 0.010 0.000 1.148 1115 S CA -0.729 57.487 58.200 0.027 0.000 0.914 1115 S CB 0.366 63.606 63.200 0.065 0.000 1.096 1115 S HN 0.155 nan 8.310 nan 0.000 0.471 1116 L N 4.514 125.739 121.223 0.003 0.000 2.292 1116 L HA 0.526 4.866 4.340 -0.001 0.000 0.284 1116 L C 0.405 177.275 176.870 0.000 0.000 1.065 1116 L CA -0.121 54.716 54.840 -0.004 0.000 0.806 1116 L CB 1.247 43.296 42.059 -0.017 0.000 1.175 1116 L HN 0.951 nan 8.230 nan 0.000 0.431 1117 T N 0.741 115.304 114.554 0.015 0.000 2.770 1117 T HA 0.655 5.004 4.350 -0.001 0.000 0.283 1117 T C -0.274 174.287 174.700 -0.232 0.000 0.988 1117 T CA -0.712 61.325 62.100 -0.105 0.000 0.957 1117 T CB 1.623 70.472 68.868 -0.033 0.000 0.930 1117 T HN 0.185 nan 8.240 nan 0.000 0.443 1118 V N 3.932 123.648 119.914 -0.329 0.000 2.417 1118 V HA 0.458 4.577 4.120 -0.001 0.000 0.291 1118 V C -1.035 174.848 176.094 -0.353 0.000 1.024 1118 V CA -1.061 61.101 62.300 -0.230 0.000 0.861 1118 V CB 0.685 32.448 31.823 -0.100 0.000 0.985 1118 V HN 0.894 nan 8.190 nan 0.000 0.436 1119 Y N 3.540 123.846 120.300 0.010 0.000 2.387 1119 Y HA 0.614 5.163 4.550 -0.002 0.000 0.336 1119 Y C 0.064 175.977 175.900 0.022 0.000 1.067 1119 Y CA -0.785 57.319 58.100 0.006 0.000 1.114 1119 Y CB 1.835 40.307 38.460 0.020 0.000 1.208 1119 Y HN 0.447 nan 8.280 nan 0.000 0.458 1120 L N 2.101 123.446 121.223 0.204 0.000 2.439 1120 L HA 0.149 4.488 4.340 -0.001 0.000 0.261 1120 L C 0.447 177.393 176.870 0.126 0.000 1.153 1120 L CA -0.142 54.780 54.840 0.137 0.000 0.808 1120 L CB 0.551 42.692 42.059 0.137 0.000 1.126 1120 L HN 0.610 nan 8.230 nan 0.000 0.460 1121 E N 3.411 123.672 120.200 0.101 0.000 2.653 1121 E HA -0.128 4.221 4.350 -0.001 0.000 0.264 1121 E C -1.671 174.983 176.600 0.089 0.000 0.949 1121 E CA -0.782 55.667 56.400 0.081 0.000 0.953 1121 E CB 0.704 30.448 29.700 0.073 0.000 0.925 1121 E HN 0.356 nan 8.360 nan 0.000 0.475 1122 P HA -0.099 nan 4.420 nan 0.000 0.226 1122 P C 0.789 178.135 177.300 0.077 0.000 1.146 1122 P CA 1.080 64.213 63.100 0.055 0.000 0.773 1122 P CB 0.027 31.742 31.700 0.025 0.000 0.772 1123 G N 0.574 109.433 108.800 0.098 0.000 2.304 1123 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.192 1123 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.192 1123 G C 0.005 175.053 174.900 0.247 0.000 1.314 1123 G CA 1.195 46.405 45.100 0.184 0.000 0.966 1123 G HN 0.316 nan 8.290 nan 0.000 0.550 1124 H N -2.168 116.926 119.070 0.039 0.000 2.976 1124 H HA -0.074 4.481 4.556 -0.001 0.000 0.273 1124 H C 1.114 176.478 175.328 0.060 0.000 1.259 1124 H CA 1.055 57.129 56.048 0.042 0.000 1.122 1124 H CB -1.591 28.188 29.762 0.029 0.000 1.298 1124 H HN 0.698 nan 8.280 nan 0.000 0.379 1125 A N -0.630 122.278 122.820 0.146 0.000 2.026 1125 A HA 0.685 5.004 4.320 -0.001 0.000 0.198 1125 A C 1.980 179.670 177.584 0.175 0.000 1.390 1125 A CA 0.640 52.764 52.037 0.144 0.000 0.915 1125 A CB 0.106 19.177 19.000 0.117 0.000 0.974 1125 A HN 0.509 nan 8.150 nan 0.000 0.477 1126 A N -0.667 122.248 122.820 0.159 0.000 2.348 1126 A HA 0.205 4.524 4.320 -0.001 0.000 0.224 1126 A C 0.490 178.253 177.584 0.299 0.000 1.227 1126 A CA 0.150 52.328 52.037 0.236 0.000 0.885 1126 A CB -0.152 18.911 19.000 0.106 0.000 0.933 1126 A HN 0.289 nan 8.150 nan 0.000 0.506 1127 D N 1.062 121.544 120.400 0.137 0.000 2.380 1127 D HA -0.058 4.581 4.640 -0.001 0.000 0.270 1127 D C 1.082 177.385 176.300 0.005 0.000 1.363 1127 D CA 0.216 54.238 54.000 0.037 0.000 1.057 1127 D CB 0.314 41.059 40.800 -0.092 0.000 1.096 1127 D HN 0.540 nan 8.370 nan 0.000 0.524 1128 Q N 2.820 122.616 119.800 -0.008 0.000 2.077 1128 Q HA -0.227 4.112 4.340 -0.001 0.000 0.206 1128 Q C 1.582 177.368 176.000 -0.356 0.000 0.989 1128 Q CA 1.344 56.913 55.803 -0.390 0.000 0.853 1128 Q CB 0.116 28.666 28.738 -0.313 0.000 0.907 1128 Q HN 0.587 nan 8.270 nan 0.000 0.418 1129 E N 0.359 120.442 120.200 -0.195 0.000 2.150 1129 E HA -0.251 4.098 4.350 -0.001 0.000 0.193 1129 E C 1.900 178.421 176.600 -0.131 0.000 0.985 1129 E CA 1.571 57.876 56.400 -0.158 0.000 0.814 1129 E CB -0.029 29.610 29.700 -0.101 0.000 0.752 1129 E HN 0.499 nan 8.360 nan 0.000 0.466 1130 Q N 0.268 120.004 119.800 -0.106 0.000 2.291 1130 Q HA -0.048 4.291 4.340 -0.001 0.000 0.205 1130 Q C 1.731 177.687 176.000 -0.073 0.000 0.970 1130 Q CA 1.753 57.517 55.803 -0.065 0.000 0.876 1130 Q CB -0.231 28.482 28.738 -0.042 0.000 0.935 1130 Q HN 0.224 nan 8.270 nan 0.000 0.455 1131 A N 0.434 123.173 122.820 -0.135 0.000 2.021 1131 A HA 0.014 4.333 4.320 -0.001 0.000 0.216 1131 A C 1.876 179.351 177.584 -0.181 0.000 1.163 1131 A CA 0.846 52.794 52.037 -0.148 0.000 0.676 1131 A CB -0.164 18.711 19.000 -0.209 0.000 0.818 1131 A HN 0.349 nan 8.150 nan 0.000 0.453 1132 K N -0.060 120.210 120.400 -0.218 0.000 2.097 1132 K HA -0.034 4.285 4.320 -0.001 0.000 0.206 1132 K C 1.718 178.245 176.600 -0.122 0.000 1.049 1132 K CA 1.269 57.442 56.287 -0.190 0.000 0.933 1132 K CB -0.385 32.005 32.500 -0.184 0.000 0.717 1132 K HN 0.454 nan 8.250 nan 0.000 0.442 1133 L N 0.664 121.831 121.223 -0.094 0.000 2.042 1133 L HA -0.230 4.109 4.340 -0.001 0.000 0.210 1133 L C 2.232 179.071 176.870 -0.050 0.000 1.076 1133 L CA 1.291 56.095 54.840 -0.059 0.000 0.749 1133 L CB -0.499 41.536 42.059 -0.040 0.000 0.893 1133 L HN 0.182 nan 8.230 nan 0.000 0.432 1134 I N -0.961 119.577 120.570 -0.054 0.000 2.353 1134 I HA -0.222 3.947 4.170 -0.001 0.000 0.248 1134 I C 2.812 178.898 176.117 -0.051 0.000 1.119 1134 I CA 0.820 62.095 61.300 -0.041 0.000 1.417 1134 I CB -0.441 37.540 38.000 -0.033 0.000 1.078 1134 I HN 0.222 nan 8.210 nan 0.000 0.421 1135 R N 1.470 121.921 120.500 -0.081 0.000 2.082 1135 R HA -0.220 4.119 4.340 -0.001 0.000 0.234 1135 R C 2.428 178.692 176.300 -0.060 0.000 1.136 1135 R CA 2.391 58.436 56.100 -0.091 0.000 0.935 1135 R CB -0.548 29.660 30.300 -0.155 0.000 0.842 1135 R HN 0.444 nan 8.270 nan 0.000 0.430 1136 S N -0.197 115.470 115.700 -0.056 0.000 2.474 1136 S HA -0.010 4.459 4.470 -0.001 0.000 0.235 1136 S C 1.984 176.572 174.600 -0.020 0.000 0.997 1136 S CA 0.843 59.025 58.200 -0.030 0.000 0.949 1136 S CB -0.019 63.162 63.200 -0.031 0.000 0.766 1136 S HN 0.501 nan 8.310 nan 0.000 0.517 1137 A N 1.484 124.291 122.820 -0.022 0.000 2.016 1137 A HA 0.265 4.584 4.320 -0.001 0.000 0.217 1137 A C 2.034 179.617 177.584 -0.001 0.000 1.162 1137 A CA 1.121 53.151 52.037 -0.012 0.000 0.662 1137 A CB -0.505 18.487 19.000 -0.013 0.000 0.812 1137 A HN 0.837 nan 8.150 nan 0.000 0.450 1138 I N -3.497 117.072 120.570 -0.002 0.000 4.124 1138 I HA 0.254 4.423 4.170 -0.001 0.000 0.311 1138 I C 0.752 176.890 176.117 0.035 0.000 1.259 1138 I CA -0.104 61.202 61.300 0.010 0.000 1.315 1138 I CB -0.223 37.775 38.000 -0.003 0.000 1.223 1138 I HN 0.104 nan 8.210 nan 0.000 0.441 1139 E N 3.005 123.222 120.200 0.028 0.000 2.491 1139 E HA -0.131 4.218 4.350 -0.001 0.000 0.250 1139 E C -0.190 176.456 176.600 0.078 0.000 1.061 1139 E CA -0.036 56.398 56.400 0.056 0.000 0.942 1139 E CB 0.087 29.818 29.700 0.052 0.000 0.957 1139 E HN 0.425 nan 8.360 nan 0.000 0.480 1140 H N 3.194 122.265 119.070 0.001 0.000 2.848 1140 H HA 0.140 4.695 4.556 -0.001 0.000 0.317 1140 H C -1.090 174.234 175.328 -0.006 0.000 1.046 1140 H CA 0.204 56.248 56.048 -0.006 0.000 1.470 1140 H CB 0.776 30.532 29.762 -0.008 0.000 1.483 1140 H HN 0.284 nan 8.280 nan 0.000 0.548 1141 T N 5.879 120.153 114.554 -0.467 0.000 2.815 1141 T HA 0.284 4.633 4.350 -0.001 0.000 0.289 1141 T C -0.424 173.997 174.700 -0.465 0.000 1.000 1141 T CA -0.780 61.075 62.100 -0.408 0.000 0.958 1141 T CB 0.745 69.506 68.868 -0.178 0.000 0.944 1141 T HN 0.760 nan 8.240 nan 0.000 0.442 1142 T N 1.545 115.849 114.554 -0.416 0.000 2.922 1142 T HA 0.385 4.734 4.350 -0.001 0.000 0.285 1142 T C 1.290 175.917 174.700 -0.122 0.000 1.005 1142 T CA -0.931 61.043 62.100 -0.210 0.000 1.061 1142 T CB 1.092 69.893 68.868 -0.112 0.000 1.007 1142 T HN 0.250 nan 8.240 nan 0.000 0.502 1143 L N 1.104 122.282 121.223 -0.075 0.000 2.093 1143 L HA 0.085 4.425 4.340 -0.001 0.000 0.208 1143 L C 2.490 179.333 176.870 -0.044 0.000 1.085 1143 L CA 1.734 56.540 54.840 -0.057 0.000 0.755 1143 L CB -1.018 41.021 42.059 -0.034 0.000 0.904 1143 L HN 0.870 nan 8.230 nan 0.000 0.435 1144 K N -0.420 119.960 120.400 -0.033 0.000 2.127 1144 K HA -0.203 4.116 4.320 -0.001 0.000 0.208 1144 K C 1.793 178.374 176.600 -0.032 0.000 1.047 1144 K CA 1.722 57.996 56.287 -0.022 0.000 0.927 1144 K CB -0.254 32.239 32.500 -0.012 0.000 0.716 1144 K HN 0.598 nan 8.250 nan 0.000 0.450 1145 S N -0.424 115.245 115.700 -0.052 0.000 2.660 1145 S HA 0.001 4.470 4.470 -0.001 0.000 0.223 1145 S C 1.271 175.838 174.600 -0.056 0.000 0.963 1145 S CA 0.487 58.654 58.200 -0.056 0.000 0.932 1145 S CB 0.226 63.379 63.200 -0.078 0.000 0.775 1145 S HN 0.254 nan 8.310 nan 0.000 0.531 1146 V N -3.396 116.487 119.914 -0.051 0.000 3.485 1146 V HA 0.311 4.430 4.120 -0.001 0.000 0.280 1146 V C 0.323 176.396 176.094 -0.035 0.000 1.495 1146 V CA -0.162 62.109 62.300 -0.048 0.000 1.018 1146 V CB -0.612 31.176 31.823 -0.059 0.000 0.818 1146 V HN 0.331 nan 8.190 nan 0.000 0.436 1147 T N 2.852 117.390 114.554 -0.027 0.000 2.832 1147 T HA 0.476 4.825 4.350 -0.001 0.000 0.296 1147 T C 1.231 175.927 174.700 -0.007 0.000 0.968 1147 T CA -0.158 61.934 62.100 -0.014 0.000 1.107 1147 T CB 1.917 70.782 68.868 -0.006 0.000 0.916 1147 T HN 0.006 nan 8.240 nan 0.000 0.517 1148 I N 1.449 122.018 120.570 -0.001 0.000 2.130 1148 I HA 0.147 4.316 4.170 -0.001 0.000 0.234 1148 I C 1.405 177.529 176.117 0.012 0.000 1.067 1148 I CA 0.998 62.300 61.300 0.004 0.000 1.339 1148 I CB -0.991 37.014 38.000 0.008 0.000 1.073 1148 I HN 0.682 nan 8.210 nan 0.000 0.405 1149 A N 0.093 122.925 122.820 0.021 0.000 2.515 1149 A HA 0.633 4.952 4.320 -0.001 0.000 0.296 1149 A C -0.430 177.178 177.584 0.040 0.000 1.094 1149 A CA -0.277 51.778 52.037 0.031 0.000 0.718 1149 A CB 1.512 20.536 19.000 0.040 0.000 1.307 1149 A HN 0.296 nan 8.150 nan 0.000 0.408 1150 S N 0.492 116.219 115.700 0.045 0.000 2.482 1150 S HA 0.789 5.259 4.470 -0.001 0.000 0.303 1150 S C -0.873 173.776 174.600 0.082 0.000 1.091 1150 S CA -0.585 57.650 58.200 0.058 0.000 1.057 1150 S CB 1.384 64.609 63.200 0.041 0.000 1.031 1150 S HN 0.668 nan 8.310 nan 0.000 0.485 1151 E N 1.555 121.837 120.200 0.137 0.000 2.317 1151 E HA 0.540 4.889 4.350 -0.001 0.000 0.270 1151 E C -1.197 175.551 176.600 0.247 0.000 0.885 1151 E CA -0.714 55.796 56.400 0.184 0.000 0.760 1151 E CB 2.237 32.134 29.700 0.328 0.000 1.227 1151 E HN 0.626 nan 8.360 nan 0.000 0.434 1152 I N 2.539 123.214 120.570 0.175 0.000 2.378 1152 I HA 0.348 4.517 4.170 -0.001 0.000 0.291 1152 I C -1.114 175.168 176.117 0.274 0.000 0.992 1152 I CA -0.668 60.771 61.300 0.232 0.000 1.154 1152 I CB 0.565 38.628 38.000 0.105 0.000 1.315 1152 I HN 0.404 nan 8.210 nan 0.000 0.448 1153 Y N 4.555 124.980 120.300 0.208 0.000 2.524 1153 Y HA 0.326 4.875 4.550 -0.001 0.000 0.344 1153 Y C -0.524 175.579 175.900 0.338 0.000 1.012 1153 Y CA -0.918 57.320 58.100 0.230 0.000 1.068 1153 Y CB 1.577 40.115 38.460 0.130 0.000 1.249 1153 Y HN 0.374 nan 8.280 nan 0.000 0.468 1154 Y N 2.837 123.333 120.300 0.325 0.000 2.504 1154 Y HA 0.343 4.892 4.550 -0.001 0.000 0.351 1154 Y C -0.744 175.176 175.900 0.033 0.000 0.988 1154 Y CA -0.201 57.921 58.100 0.037 0.000 1.239 1154 Y CB 0.324 38.702 38.460 -0.137 0.000 1.128 1154 Y HN 0.518 nan 8.280 nan 0.000 0.525 1155 D N 9.017 129.209 120.400 -0.347 0.000 2.358 1155 D HA 0.271 4.910 4.640 -0.001 0.000 0.253 1155 D C -2.268 173.766 176.300 -0.444 0.000 1.288 1155 D CA -2.179 51.665 54.000 -0.258 0.000 0.950 1155 D CB 1.924 42.666 40.800 -0.096 0.000 1.197 1155 D HN 0.286 nan 8.370 nan 0.000 0.550 1156 P HA 0.041 nan 4.420 nan 0.000 0.222 1156 P C 0.251 177.414 177.300 -0.228 0.000 1.157 1156 P CA 0.167 62.983 63.100 -0.473 0.000 0.816 1156 P CB 0.498 31.988 31.700 -0.351 0.000 0.813 1157 D N 0.945 121.256 120.400 -0.148 0.000 2.359 1157 D HA 0.087 4.726 4.640 -0.001 0.000 0.250 1157 D C -1.535 174.720 176.300 -0.075 0.000 1.264 1157 D CA -2.032 51.915 54.000 -0.087 0.000 0.911 1157 D CB 0.891 41.659 40.800 -0.053 0.000 1.056 1157 D HN -0.008 nan 8.370 nan 0.000 0.499 1158 P HA -0.116 nan 4.420 nan 0.000 0.218 1158 P C 1.026 178.317 177.300 -0.015 0.000 1.148 1158 P CA 0.890 63.963 63.100 -0.045 0.000 0.822 1158 P CB 0.305 31.975 31.700 -0.050 0.000 0.784 1159 R N -1.391 119.101 120.500 -0.013 0.000 2.297 1159 R HA 0.277 4.616 4.340 -0.001 0.000 0.197 1159 R C 0.485 176.788 176.300 0.005 0.000 0.943 1159 R CA 0.510 56.616 56.100 0.010 0.000 1.038 1159 R CB -0.264 30.042 30.300 0.010 0.000 0.957 1159 R HN 0.143 nan 8.270 nan 0.000 0.484 1160 S N -0.369 115.322 115.700 -0.015 0.000 2.579 1160 S HA 0.467 4.936 4.470 -0.001 0.000 0.272 1160 S C -0.854 173.727 174.600 -0.031 0.000 1.141 1160 S CA -0.572 57.618 58.200 -0.017 0.000 0.843 1160 S CB 2.777 65.970 63.200 -0.011 0.000 1.122 1160 S HN -0.018 nan 8.310 nan 0.000 0.468 1161 T N 1.527 116.064 114.554 -0.029 0.000 2.841 1161 T HA 0.334 4.683 4.350 -0.001 0.000 0.283 1161 T C 1.327 176.016 174.700 -0.017 0.000 1.000 1161 T CA -0.686 61.390 62.100 -0.040 0.000 0.977 1161 T CB 1.520 70.353 68.868 -0.058 0.000 0.979 1161 T HN 0.357 nan 8.240 nan 0.000 0.446 1162 V N 1.682 121.595 119.914 -0.002 0.000 2.667 1162 V HA 0.045 4.164 4.120 -0.001 0.000 0.252 1162 V C 1.024 177.139 176.094 0.036 0.000 1.065 1162 V CA 0.977 63.300 62.300 0.037 0.000 1.083 1162 V CB -0.874 31.003 31.823 0.091 0.000 0.692 1162 V HN 0.751 nan 8.190 nan 0.000 0.468 1163 I N 2.913 123.478 120.570 -0.007 0.000 2.452 1163 I HA 0.132 4.301 4.170 -0.001 0.000 0.287 1163 I C -0.789 175.318 176.117 -0.018 0.000 1.079 1163 I CA -1.303 59.986 61.300 -0.019 0.000 1.387 1163 I CB 0.985 38.903 38.000 -0.136 0.000 1.404 1163 I HN 0.081 nan 8.210 nan 0.000 0.522 1164 P HA -0.082 nan 4.420 nan 0.000 0.221 1164 P C 1.124 178.421 177.300 -0.005 0.000 1.155 1164 P CA 0.998 64.100 63.100 0.003 0.000 0.812 1164 P CB 0.304 32.013 31.700 0.015 0.000 0.801 1165 E N 0.175 120.372 120.200 -0.004 0.000 2.065 1165 E HA -0.188 4.161 4.350 -0.001 0.000 0.201 1165 E C 1.138 177.726 176.600 -0.020 0.000 1.016 1165 E CA 1.439 57.834 56.400 -0.008 0.000 0.818 1165 E CB -0.206 29.491 29.700 -0.004 0.000 0.749 1165 E HN 0.334 nan 8.360 nan 0.000 0.453 1166 D N -0.601 119.777 120.400 -0.037 0.000 1.685 1166 D HA -0.142 4.498 4.640 -0.001 0.000 0.313 1166 D C 1.447 177.726 176.300 -0.035 0.000 1.065 1166 D CA 1.063 55.036 54.000 -0.045 0.000 0.879 1166 D CB -0.498 40.259 40.800 -0.072 0.000 1.370 1166 D HN 0.269 nan 8.370 nan 0.000 0.483 1167 E N -0.190 119.987 120.200 -0.039 0.000 4.429 1167 E HA -0.443 3.906 4.350 -0.001 0.000 0.185 1167 E C 1.525 178.109 176.600 -0.028 0.000 1.272 1167 E CA 1.802 58.185 56.400 -0.027 0.000 2.340 1167 E CB -1.414 28.275 29.700 -0.017 0.000 1.837 1167 E HN 0.381 nan 8.360 nan 0.000 0.389 1168 E N 0.513 120.697 120.200 -0.027 0.000 2.070 1168 E HA -0.225 4.124 4.350 -0.001 0.000 0.197 1168 E C 2.202 178.772 176.600 -0.051 0.000 1.004 1168 E CA 1.964 58.345 56.400 -0.032 0.000 0.805 1168 E CB -0.223 29.462 29.700 -0.025 0.000 0.744 1168 E HN 0.510 nan 8.360 nan 0.000 0.451 1169 I N 1.251 121.790 120.570 -0.052 0.000 2.454 1169 I HA -0.264 3.905 4.170 -0.001 0.000 0.254 1169 I C 2.043 178.108 176.117 -0.087 0.000 1.156 1169 I CA 0.690 61.949 61.300 -0.069 0.000 1.433 1169 I CB -0.166 37.800 38.000 -0.058 0.000 1.082 1169 I HN 0.258 nan 8.210 nan 0.000 0.432 1170 I N -0.277 120.255 120.570 -0.065 0.000 2.406 1170 I HA -0.180 3.989 4.170 -0.001 0.000 0.249 1170 I C 2.301 178.394 176.117 -0.041 0.000 1.122 1170 I CA 0.971 62.243 61.300 -0.046 0.000 1.431 1170 I CB -1.522 36.464 38.000 -0.024 0.000 1.087 1170 I HN 0.338 nan 8.210 nan 0.000 0.424 1171 Q N 1.892 121.659 119.800 -0.055 0.000 2.002 1171 Q HA -0.076 4.263 4.340 -0.001 0.000 0.204 1171 Q C 1.189 176.975 176.000 -0.357 0.000 0.988 1171 Q CA 1.108 56.880 55.803 -0.051 0.000 0.843 1171 Q CB -0.672 28.048 28.738 -0.029 0.000 0.908 1171 Q HN 0.491 nan 8.270 nan 0.000 0.420 1172 L N -1.710 119.257 121.223 -0.427 0.000 2.470 1172 L HA 0.282 4.621 4.340 -0.001 0.000 0.243 1172 L C 0.034 176.658 176.870 -0.410 0.000 1.227 1172 L CA -0.696 53.761 54.840 -0.639 0.000 0.824 1172 L CB -0.176 41.649 42.059 -0.390 0.000 1.175 1172 L HN 0.344 nan 8.230 nan 0.000 0.503 1173 H N -0.648 118.136 119.070 -0.477 0.000 2.903 1173 H HA -0.179 4.376 4.556 -0.001 0.000 0.285 1173 H C 0.093 175.360 175.328 -0.102 0.000 1.231 1173 H CA 0.950 56.810 56.048 -0.313 0.000 1.135 1173 H CB -0.981 28.554 29.762 -0.378 0.000 1.328 1173 H HN 0.652 nan 8.280 nan 0.000 0.388 1174 F N -2.441 117.531 119.950 0.037 0.000 2.688 1174 F HA 0.651 5.177 4.527 -0.001 0.000 0.310 1174 F C 0.304 176.099 175.800 -0.008 0.000 1.098 1174 F CA -0.062 57.963 58.000 0.041 0.000 1.228 1174 F CB -0.019 38.998 39.000 0.029 0.000 1.042 1174 F HN 0.065 nan 8.300 nan 0.000 0.557 1175 S N 0.128 115.963 115.700 0.225 0.000 2.651 1175 S HA 0.617 5.086 4.470 -0.001 0.000 0.279 1175 S C -0.571 174.009 174.600 -0.032 0.000 1.148 1175 S CA -0.740 57.565 58.200 0.175 0.000 0.837 1175 S CB 1.171 64.519 63.200 0.247 0.000 1.138 1175 S HN 0.305 nan 8.310 nan 0.000 0.478 1188 Q N 0.818 120.578 119.800 -0.066 0.000 2.915 1188 Q HA 0.680 5.019 4.340 -0.001 0.000 0.186 1188 Q C -0.767 175.221 176.000 -0.020 0.000 1.106 1188 Q CA -0.258 55.517 55.803 -0.046 0.000 0.700 1188 Q CB 1.572 30.274 28.738 -0.061 0.000 4.029 1188 Q HN 0.128 nan 8.270 nan 0.000 0.362 1189 S N -0.624 115.068 115.700 -0.012 0.000 2.564 1189 S HA 0.391 4.860 4.470 -0.001 0.000 0.274 1189 S C -2.358 172.185 174.600 -0.095 0.000 1.124 1189 S CA -1.672 56.522 58.200 -0.010 0.000 0.869 1189 S CB 1.394 64.649 63.200 0.092 0.000 1.105 1189 S HN 0.349 nan 8.310 nan 0.000 0.472 1190 P HA 0.117 nan 4.420 nan 0.000 0.241 1190 P C -0.461 176.505 177.300 -0.556 0.000 1.191 1190 P CA 0.248 63.021 63.100 -0.545 0.000 0.771 1190 P CB -0.082 31.121 31.700 -0.828 0.000 0.929 1191 W N 1.376 122.610 121.300 -0.110 0.000 2.357 1191 W HA 0.386 5.045 4.660 -0.001 0.000 0.317 1191 W C 0.214 176.721 176.519 -0.021 0.000 1.101 1191 W CA -1.037 56.290 57.345 -0.030 0.000 1.380 1191 W CB 0.488 29.965 29.460 0.029 0.000 1.266 1191 W HN -0.130 nan 8.180 nan 0.000 0.419 1192 L N 6.117 127.476 121.223 0.228 0.000 2.275 1192 L HA 0.555 4.894 4.340 -0.001 0.000 0.288 1192 L C -0.841 176.134 176.870 0.175 0.000 1.046 1192 L CA -0.695 54.226 54.840 0.135 0.000 0.805 1192 L CB 0.478 42.569 42.059 0.052 0.000 1.193 1192 L HN 0.345 nan 8.230 nan 0.000 0.426 1193 L N 5.947 127.232 121.223 0.104 0.000 2.307 1193 L HA 0.627 4.966 4.340 -0.001 0.000 0.284 1193 L C -0.712 176.193 176.870 0.059 0.000 1.023 1193 L CA -0.172 54.724 54.840 0.093 0.000 0.810 1193 L CB 1.196 43.279 42.059 0.039 0.000 1.231 1193 L HN 0.841 nan 8.230 nan 0.000 0.423 1194 R N 5.262 125.812 120.500 0.083 0.000 2.502 1194 R HA 0.703 5.043 4.340 -0.001 0.000 0.300 1194 R C -1.908 174.426 176.300 0.057 0.000 0.984 1194 R CA -0.551 55.570 56.100 0.035 0.000 0.882 1194 R CB 0.994 31.270 30.300 -0.040 0.000 1.180 1194 R HN 0.780 nan 8.270 nan 0.000 0.444 1195 L N 2.428 123.672 121.223 0.035 0.000 2.334 1195 L HA 0.563 4.902 4.340 -0.001 0.000 0.273 1195 L C -0.206 176.679 176.870 0.026 0.000 1.013 1195 L CA -0.735 54.126 54.840 0.034 0.000 0.816 1195 L CB 1.969 44.042 42.059 0.023 0.000 1.278 1195 L HN 0.619 nan 8.230 nan 0.000 0.431 1196 E N 2.392 122.607 120.200 0.025 0.000 2.210 1196 E HA 0.572 4.921 4.350 -0.001 0.000 0.266 1196 E C -1.641 174.962 176.600 0.005 0.000 0.883 1196 E CA -0.627 55.783 56.400 0.017 0.000 0.761 1196 E CB 1.673 31.389 29.700 0.025 0.000 1.156 1196 E HN 0.464 nan 8.360 nan 0.000 0.412 1197 L N 3.066 124.287 121.223 -0.004 0.000 2.329 1197 L HA 0.335 4.674 4.340 -0.001 0.000 0.279 1197 L C -0.206 176.654 176.870 -0.016 0.000 1.014 1197 L CA -1.082 53.748 54.840 -0.017 0.000 0.814 1197 L CB 1.524 43.565 42.059 -0.031 0.000 1.257 1197 L HN 0.548 nan 8.230 nan 0.000 0.424 1198 D N 2.349 122.737 120.400 -0.021 0.000 2.346 1198 D HA 0.026 4.665 4.640 -0.001 0.000 0.260 1198 D C 1.113 177.399 176.300 -0.024 0.000 1.252 1198 D CA 0.208 54.196 54.000 -0.020 0.000 0.895 1198 D CB 0.906 41.692 40.800 -0.023 0.000 1.097 1198 D HN 0.386 nan 8.370 nan 0.000 0.489 1199 R N 3.463 123.953 120.500 -0.018 0.000 2.096 1199 R HA -0.189 4.150 4.340 -0.001 0.000 0.235 1199 R C 1.757 178.044 176.300 -0.022 0.000 1.127 1199 R CA 1.357 57.446 56.100 -0.018 0.000 0.968 1199 R CB -0.119 30.174 30.300 -0.012 0.000 0.861 1199 R HN 0.561 nan 8.270 nan 0.000 0.440 1200 A N 0.887 123.694 122.820 -0.021 0.000 1.869 1200 A HA -0.193 4.126 4.320 -0.001 0.000 0.218 1200 A C 2.211 179.776 177.584 -0.032 0.000 1.203 1200 A CA 2.137 54.160 52.037 -0.024 0.000 0.638 1200 A CB -0.885 18.101 19.000 -0.024 0.000 0.831 1200 A HN 0.505 nan 8.150 nan 0.000 0.450 1201 A N -1.837 120.960 122.820 -0.038 0.000 2.238 1201 A HA 0.276 4.595 4.320 -0.001 0.000 0.208 1201 A C 1.649 179.204 177.584 -0.048 0.000 1.177 1201 A CA 0.679 52.688 52.037 -0.048 0.000 0.804 1201 A CB -0.341 18.628 19.000 -0.053 0.000 0.823 1201 A HN 0.428 nan 8.150 nan 0.000 0.482 1202 M N 0.317 119.892 119.600 -0.042 0.000 2.628 1202 M HA 0.066 4.545 4.480 -0.001 0.000 0.232 1202 M C 0.457 176.734 176.300 -0.037 0.000 1.128 1202 M CA 0.515 55.789 55.300 -0.043 0.000 1.040 1202 M CB -0.703 31.872 32.600 -0.042 0.000 1.608 1202 M HN 0.461 nan 8.290 nan 0.000 0.507 1203 N N -0.731 117.950 118.700 -0.033 0.000 2.474 1203 N HA -0.052 4.687 4.740 -0.001 0.000 0.224 1203 N C 1.182 176.679 175.510 -0.022 0.000 1.092 1203 N CA 0.148 53.182 53.050 -0.026 0.000 0.844 1203 N CB -0.059 38.415 38.487 -0.021 0.000 1.381 1203 N HN 0.330 nan 8.380 nan 0.000 0.458 1204 D N 1.542 121.923 120.400 -0.033 0.000 2.322 1204 D HA -0.125 4.514 4.640 -0.001 0.000 0.210 1204 D C -0.431 175.860 176.300 -0.015 0.000 0.983 1204 D CA 1.001 54.977 54.000 -0.040 0.000 0.902 1204 D CB 0.352 41.099 40.800 -0.089 0.000 0.905 1204 D HN 0.376 nan 8.370 nan 0.000 0.483 1205 K N 0.645 121.033 120.400 -0.020 0.000 2.464 1205 K HA 0.257 4.576 4.320 -0.001 0.000 0.253 1205 K C -1.118 175.468 176.600 -0.023 0.000 0.933 1205 K CA -0.818 55.464 56.287 -0.009 0.000 0.801 1205 K CB 1.675 34.158 32.500 -0.028 0.000 1.271 1205 K HN -0.186 nan 8.250 nan 0.000 0.430 1206 D N 3.480 123.867 120.400 -0.021 0.000 2.498 1206 D HA 0.103 4.742 4.640 -0.001 0.000 0.229 1206 D C -0.450 175.827 176.300 -0.039 0.000 1.188 1206 D CA 0.336 54.319 54.000 -0.028 0.000 1.028 1206 D CB 0.176 40.960 40.800 -0.027 0.000 1.087 1206 D HN 0.246 nan 8.370 nan 0.000 0.510 1207 L N 1.843 123.039 121.223 -0.046 0.000 2.325 1207 L HA 0.234 4.574 4.340 -0.001 0.000 0.281 1207 L C 0.661 177.490 176.870 -0.067 0.000 1.004 1207 L CA -0.596 54.207 54.840 -0.063 0.000 0.823 1207 L CB 1.876 43.892 42.059 -0.072 0.000 1.236 1207 L HN 0.126 nan 8.230 nan 0.000 0.415 1208 T N -0.202 114.305 114.554 -0.078 0.000 2.867 1208 T HA 0.273 4.623 4.350 -0.001 0.000 0.282 1208 T C 1.383 175.994 174.700 -0.148 0.000 1.000 1208 T CA -0.916 61.135 62.100 -0.081 0.000 1.042 1208 T CB 1.540 70.376 68.868 -0.053 0.000 0.973 1208 T HN 0.388 nan 8.240 nan 0.000 0.465 1209 M N 2.390 121.895 119.600 -0.158 0.000 2.116 1209 M HA -0.103 4.376 4.480 -0.001 0.000 0.255 1209 M C 2.518 178.444 176.300 -0.623 0.000 1.075 1209 M CA 2.281 57.389 55.300 -0.319 0.000 1.087 1209 M CB -1.989 30.509 32.600 -0.170 0.000 1.340 1209 M HN 0.987 nan 8.290 nan 0.000 0.402 1210 G N -0.291 108.306 108.800 -0.338 0.000 2.491 1210 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.218 1210 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.218 1210 G C 1.452 176.161 174.900 -0.318 0.000 1.180 1210 G CA 0.982 45.929 45.100 -0.255 0.000 0.774 1210 G HN 0.546 nan 8.290 nan 0.000 0.562 1211 Q N -0.330 119.343 119.800 -0.212 0.000 2.096 1211 Q HA -0.080 4.259 4.340 -0.001 0.000 0.204 1211 Q C 2.842 178.699 176.000 -0.238 0.000 0.982 1211 Q CA 1.541 57.242 55.803 -0.170 0.000 0.850 1211 Q CB -0.281 28.387 28.738 -0.117 0.000 0.901 1211 Q HN 0.392 nan 8.270 nan 0.000 0.422 1212 V N 0.154 119.877 119.914 -0.317 0.000 2.490 1212 V HA -0.196 3.923 4.120 -0.001 0.000 0.250 1212 V C 2.056 177.898 176.094 -0.419 0.000 1.061 1212 V CA 1.905 64.014 62.300 -0.317 0.000 1.064 1212 V CB -1.003 30.635 31.823 -0.308 0.000 0.670 1212 V HN 0.537 nan 8.190 nan 0.000 0.461 1213 G N -0.637 107.688 108.800 -0.791 0.000 2.395 1213 G HA2 -0.121 3.839 3.960 -0.001 0.000 0.214 1213 G HA3 -0.121 3.839 3.960 -0.001 0.000 0.214 1213 G C 1.438 176.123 174.900 -0.357 0.000 1.177 1213 G CA 0.250 44.741 45.100 -1.015 0.000 0.794 1213 G HN 0.436 nan 8.290 nan 0.000 0.532 1214 E N 0.482 120.533 120.200 -0.248 0.000 2.153 1214 E HA -0.082 4.267 4.350 -0.001 0.000 0.194 1214 E C 2.537 179.121 176.600 -0.026 0.000 0.988 1214 E CA 0.549 56.942 56.400 -0.011 0.000 0.811 1214 E CB -0.137 29.572 29.700 0.014 0.000 0.746 1214 E HN 0.185 nan 8.360 nan 0.000 0.466 1215 R N 0.919 121.367 120.500 -0.087 0.000 2.070 1215 R HA -0.018 4.321 4.340 -0.001 0.000 0.232 1215 R C 2.388 178.660 176.300 -0.047 0.000 1.138 1215 R CA 1.085 57.143 56.100 -0.070 0.000 0.936 1215 R CB -0.778 29.465 30.300 -0.095 0.000 0.839 1215 R HN 0.162 nan 8.270 nan 0.000 0.429 1216 I N 0.658 121.211 120.570 -0.029 0.000 2.163 1216 I HA -0.357 3.812 4.170 -0.001 0.000 0.243 1216 I C 2.253 178.456 176.117 0.142 0.000 1.085 1216 I CA 1.592 62.937 61.300 0.075 0.000 1.347 1216 I CB -0.349 37.723 38.000 0.120 0.000 1.044 1216 I HN 0.196 nan 8.210 nan 0.000 0.408 1217 K N 0.739 121.215 120.400 0.127 0.000 2.020 1217 K HA -0.272 4.047 4.320 -0.001 0.000 0.212 1217 K C 1.967 178.640 176.600 0.123 0.000 1.050 1217 K CA 2.155 58.541 56.287 0.165 0.000 0.929 1217 K CB -0.349 32.258 32.500 0.177 0.000 0.714 1217 K HN 0.542 nan 8.250 nan 0.000 0.443 1218 Q N 0.100 119.932 119.800 0.054 0.000 2.482 1218 Q HA 0.003 4.342 4.340 -0.001 0.000 0.209 1218 Q C 0.897 176.869 176.000 -0.046 0.000 0.961 1218 Q CA 0.896 56.711 55.803 0.020 0.000 0.945 1218 Q CB 0.200 28.944 28.738 0.010 0.000 1.012 1218 Q HN 0.105 nan 8.270 nan 0.000 0.515 1219 T N 0.356 114.836 114.554 -0.123 0.000 2.755 1219 T HA 0.036 4.385 4.350 -0.001 0.000 0.251 1219 T C 0.856 175.349 174.700 -0.345 0.000 1.044 1219 T CA 0.879 62.771 62.100 -0.347 0.000 1.154 1219 T CB -0.200 68.256 68.868 -0.687 0.000 0.866 1219 T HN 0.367 nan 8.240 nan 0.000 0.416 1220 F N 1.188 121.156 119.950 0.029 0.000 2.789 1220 F HA 0.360 4.886 4.527 -0.002 0.000 0.300 1220 F C 1.792 177.618 175.800 0.045 0.000 1.132 1220 F CA -0.198 57.823 58.000 0.035 0.000 1.404 1220 F CB -0.224 38.799 39.000 0.039 0.000 1.114 1220 F HN 0.046 nan 8.300 nan 0.000 0.584 1221 K N 0.722 121.234 120.400 0.185 0.000 10.999 1221 K HA -0.419 3.900 4.320 -0.001 0.000 0.527 1221 K C 0.074 176.767 176.600 0.155 0.000 0.419 1221 K CA 2.618 58.987 56.287 0.137 0.000 1.889 1221 K CB -1.361 31.190 32.500 0.085 0.000 0.812 1221 K HN 0.386 nan 8.250 nan 0.000 1.235 1222 N N 0.629 119.417 118.700 0.145 0.000 2.497 1222 N HA 0.135 4.874 4.740 -0.001 0.000 0.284 1222 N C -1.367 174.215 175.510 0.119 0.000 1.459 1222 N CA 0.398 53.524 53.050 0.127 0.000 0.899 1222 N CB 0.783 39.326 38.487 0.093 0.000 1.316 1222 N HN 0.438 nan 8.380 nan 0.000 0.500 1223 D N -0.931 119.554 120.400 0.141 0.000 2.881 1223 D HA 0.189 4.828 4.640 -0.001 0.000 0.325 1223 D C -0.831 175.508 176.300 0.064 0.000 1.621 1223 D CA -0.332 53.727 54.000 0.099 0.000 0.785 1223 D CB 0.130 40.983 40.800 0.089 0.000 1.233 1223 D HN -0.053 nan 8.370 nan 0.000 0.447 1224 L N 0.486 121.770 121.223 0.102 0.000 2.614 1224 L HA 0.553 4.892 4.340 -0.001 0.000 0.264 1224 L C -2.161 174.803 176.870 0.157 0.000 0.940 1224 L CA -0.833 54.033 54.840 0.043 0.000 0.903 1224 L CB 1.791 43.758 42.059 -0.153 0.000 1.306 1224 L HN 0.082 nan 8.230 nan 0.000 0.410 1225 F N 5.994 125.937 119.950 -0.012 0.000 2.391 1225 F HA 0.715 5.241 4.527 -0.001 0.000 0.359 1225 F C -0.691 175.092 175.800 -0.028 0.000 1.122 1225 F CA -0.452 57.542 58.000 -0.009 0.000 1.120 1225 F CB 1.067 40.056 39.000 -0.020 0.000 1.142 1225 F HN 0.190 nan 8.300 nan 0.000 0.483 1226 V N 7.455 127.022 119.914 -0.578 0.000 2.513 1226 V HA 0.543 4.662 4.120 -0.001 0.000 0.299 1226 V C -0.234 175.404 176.094 -0.759 0.000 1.035 1226 V CA -0.717 61.352 62.300 -0.386 0.000 0.889 1226 V CB 1.707 33.528 31.823 -0.003 0.000 0.988 1226 V HN 0.573 nan 8.190 nan 0.000 0.440 1227 I N 3.386 123.614 120.570 -0.571 0.000 3.002 1227 I HA 0.811 4.980 4.170 -0.001 0.000 0.310 1227 I C -0.963 174.952 176.117 -0.336 0.000 1.087 1227 I CA -0.187 60.585 61.300 -0.879 0.000 1.017 1227 I CB 2.290 39.942 38.000 -0.580 0.000 1.226 1227 I HN 0.879 nan 8.210 nan 0.000 0.443 1228 W N 1.737 122.878 121.300 -0.265 0.000 3.066 1228 W HA 0.750 5.409 4.660 -0.001 0.000 0.330 1228 W C -1.011 175.477 176.519 -0.051 0.000 1.253 1228 W CA -1.076 56.197 57.345 -0.121 0.000 1.187 1228 W CB 0.404 29.808 29.460 -0.093 0.000 1.434 1228 W HN 0.444 nan 8.180 nan 0.000 0.572 1229 S N 0.650 116.505 115.700 0.259 0.000 2.593 1229 S HA 0.254 4.723 4.470 -0.001 0.000 0.269 1229 S C 0.045 174.776 174.600 0.219 0.000 1.334 1229 S CA -0.138 58.153 58.200 0.152 0.000 1.015 1229 S CB 0.700 63.953 63.200 0.088 0.000 0.912 1229 S HN 0.503 nan 8.310 nan 0.000 0.541 1230 E N 0.902 121.175 120.200 0.122 0.000 2.404 1230 E HA 0.083 4.433 4.350 -0.001 0.000 0.261 1230 E C 0.722 177.374 176.600 0.087 0.000 1.074 1230 E CA 0.253 56.719 56.400 0.111 0.000 0.917 1230 E CB 0.428 30.159 29.700 0.052 0.000 0.965 1230 E HN 0.605 nan 8.360 nan 0.000 0.433 1231 D N 1.730 122.174 120.400 0.074 0.000 2.263 1231 D HA -0.139 4.500 4.640 -0.001 0.000 0.208 1231 D C 0.313 176.626 176.300 0.022 0.000 0.971 1231 D CA 0.973 54.996 54.000 0.039 0.000 0.867 1231 D CB 0.113 40.929 40.800 0.027 0.000 0.929 1231 D HN 0.530 nan 8.370 nan 0.000 0.492 1232 N N 0.337 119.050 118.700 0.022 0.000 2.291 1232 N HA 0.012 4.751 4.740 -0.001 0.000 0.244 1232 N C -0.377 175.141 175.510 0.012 0.000 1.216 1232 N CA -0.358 52.700 53.050 0.013 0.000 0.879 1232 N CB 0.656 39.149 38.487 0.009 0.000 1.167 1232 N HN -0.160 nan 8.380 nan 0.000 0.515 1233 D N 1.486 121.896 120.400 0.017 0.000 2.371 1233 D HA 0.014 4.653 4.640 -0.001 0.000 0.242 1233 D C 1.300 177.606 176.300 0.010 0.000 1.218 1233 D CA -0.272 53.737 54.000 0.014 0.000 0.945 1233 D CB 1.347 42.158 40.800 0.019 0.000 1.137 1233 D HN 0.003 nan 8.370 nan 0.000 0.464 1234 E N 0.096 120.301 120.200 0.008 0.000 2.070 1234 E HA -0.153 4.197 4.350 -0.001 0.000 0.197 1234 E C -0.201 176.403 176.600 0.007 0.000 1.004 1234 E CA 1.440 57.844 56.400 0.006 0.000 0.805 1234 E CB 0.315 30.018 29.700 0.005 0.000 0.744 1234 E HN 0.339 nan 8.360 nan 0.000 0.451 1235 K N -0.136 120.269 120.400 0.009 0.000 2.385 1235 K HA 0.465 4.784 4.320 -0.001 0.000 0.248 1235 K C -0.598 176.011 176.600 0.014 0.000 0.955 1235 K CA -0.702 55.591 56.287 0.010 0.000 0.816 1235 K CB 1.862 34.368 32.500 0.010 0.000 1.250 1235 K HN -0.075 nan 8.250 nan 0.000 0.434 1236 L N 3.043 124.274 121.223 0.013 0.000 2.280 1236 L HA 0.538 4.877 4.340 -0.001 0.000 0.287 1236 L C -0.672 176.209 176.870 0.019 0.000 1.023 1236 L CA -0.731 54.120 54.840 0.017 0.000 0.819 1236 L CB 0.451 42.511 42.059 0.003 0.000 1.212 1236 L HN 0.428 nan 8.230 nan 0.000 0.420 1237 I N 4.005 124.597 120.570 0.037 0.000 2.686 1237 I HA 0.477 4.646 4.170 -0.001 0.000 0.295 1237 I C -0.601 175.558 176.117 0.070 0.000 1.114 1237 I CA -0.058 61.263 61.300 0.034 0.000 1.038 1237 I CB 2.779 40.785 38.000 0.011 0.000 1.238 1237 I HN 0.412 nan 8.210 nan 0.000 0.420 1238 I N 5.298 125.901 120.570 0.055 0.000 2.466 1238 I HA 0.517 4.686 4.170 -0.001 0.000 0.289 1238 I C -0.663 175.475 176.117 0.036 0.000 1.026 1238 I CA -0.720 60.633 61.300 0.089 0.000 1.078 1238 I CB 1.673 39.713 38.000 0.066 0.000 1.249 1238 I HN 0.420 nan 8.210 nan 0.000 0.429 1239 R N 5.090 125.595 120.500 0.008 0.000 2.494 1239 R HA 0.745 5.084 4.340 -0.001 0.000 0.305 1239 R C -1.481 174.795 176.300 -0.040 0.000 0.959 1239 R CA -0.584 55.497 56.100 -0.033 0.000 0.864 1239 R CB 1.917 32.176 30.300 -0.069 0.000 1.159 1239 R HN 0.552 nan 8.270 nan 0.000 0.446 1240 C N 1.857 121.147 119.300 -0.017 0.000 2.626 1240 C HA 0.602 5.062 4.460 -0.001 0.000 0.310 1240 C C -0.321 174.678 174.990 0.014 0.000 1.191 1240 C CA -1.108 57.900 59.018 -0.017 0.000 1.517 1240 C CB 1.780 29.497 27.740 -0.037 0.000 2.102 1240 C HN 0.818 nan 8.230 nan 0.000 0.479 1241 R N 1.315 121.843 120.500 0.047 0.000 2.628 1241 R HA 0.645 4.984 4.340 -0.001 0.000 0.288 1241 R C -1.106 175.225 176.300 0.052 0.000 0.980 1241 R CA -0.636 55.504 56.100 0.067 0.000 0.891 1241 R CB 1.901 32.256 30.300 0.092 0.000 1.188 1241 R HN 0.540 nan 8.270 nan 0.000 0.450 1242 V N 2.916 122.852 119.914 0.036 0.000 2.872 1242 V HA 0.079 4.199 4.120 -0.001 0.000 0.307 1242 V C 0.494 176.614 176.094 0.044 0.000 1.072 1242 V CA 0.215 62.525 62.300 0.018 0.000 1.148 1242 V CB 1.238 33.075 31.823 0.023 0.000 0.954 1242 V HN 0.462 nan 8.190 nan 0.000 0.490 1255 E N 0.351 120.611 120.200 0.100 0.000 2.450 1255 E HA -0.241 4.108 4.350 -0.001 0.000 0.244 1255 E C 0.517 177.145 176.600 0.048 0.000 1.226 1255 E CA 1.096 57.535 56.400 0.066 0.000 0.720 1255 E CB -1.210 28.522 29.700 0.052 0.000 1.254 1255 E HN 0.614 nan 8.360 nan 0.000 0.399 1256 E N -0.087 120.147 120.200 0.056 0.000 2.447 1256 E HA -0.092 4.257 4.350 -0.001 0.000 0.195 1256 E C 1.319 177.737 176.600 -0.303 0.000 1.028 1256 E CA 0.558 56.958 56.400 -0.001 0.000 0.876 1256 E CB 0.184 29.994 29.700 0.182 0.000 0.885 1256 E HN 0.348 nan 8.360 nan 0.000 0.500 1257 D N -0.237 119.853 120.400 -0.516 0.000 2.221 1257 D HA -0.212 4.427 4.640 -0.001 0.000 0.204 1257 D C 1.780 177.870 176.300 -0.351 0.000 0.982 1257 D CA 1.174 54.670 54.000 -0.840 0.000 0.857 1257 D CB 0.047 40.395 40.800 -0.753 0.000 0.934 1257 D HN 0.177 nan 8.370 nan 0.000 0.475 1258 H N -1.299 117.613 119.070 -0.262 0.000 2.497 1258 H HA 0.216 4.771 4.556 -0.001 0.000 0.282 1258 H C 1.681 176.939 175.328 -0.117 0.000 1.003 1258 H CA 1.009 56.961 56.048 -0.159 0.000 1.307 1258 H CB -0.047 29.654 29.762 -0.102 0.000 1.437 1258 H HN 0.098 nan 8.280 nan 0.000 0.544 1259 M N -0.498 119.007 119.600 -0.159 0.000 2.200 1259 M HA -0.017 4.462 4.480 -0.001 0.000 0.265 1259 M C 1.806 178.009 176.300 -0.162 0.000 1.066 1259 M CA 0.925 56.127 55.300 -0.163 0.000 1.127 1259 M CB -0.247 32.310 32.600 -0.072 0.000 1.379 1259 M HN 0.356 nan 8.290 nan 0.000 0.420 1260 L N 0.127 121.255 121.223 -0.158 0.000 2.131 1260 L HA -0.167 4.172 4.340 -0.001 0.000 0.210 1260 L C 2.196 178.988 176.870 -0.129 0.000 1.092 1260 L CA 1.862 56.622 54.840 -0.133 0.000 0.759 1260 L CB -0.825 41.168 42.059 -0.111 0.000 0.903 1260 L HN 0.233 nan 8.230 nan 0.000 0.435 1261 K N -0.104 120.200 120.400 -0.160 0.000 2.097 1261 K HA -0.152 4.167 4.320 -0.001 0.000 0.205 1261 K C 2.070 178.589 176.600 -0.135 0.000 1.050 1261 K CA 1.192 57.402 56.287 -0.129 0.000 0.938 1261 K CB 0.040 32.474 32.500 -0.110 0.000 0.718 1261 K HN 0.398 nan 8.250 nan 0.000 0.442 1262 K N 0.330 120.609 120.400 -0.202 0.000 2.097 1262 K HA -0.045 4.275 4.320 -0.001 0.000 0.205 1262 K C 2.229 178.795 176.600 -0.056 0.000 1.050 1262 K CA 0.859 57.058 56.287 -0.146 0.000 0.938 1262 K CB -0.089 32.298 32.500 -0.188 0.000 0.718 1262 K HN 0.092 nan 8.250 nan 0.000 0.442 1263 I N 1.674 122.207 120.570 -0.062 0.000 2.127 1263 I HA -0.328 3.841 4.170 -0.001 0.000 0.241 1263 I C 2.363 178.501 176.117 0.034 0.000 1.075 1263 I CA 1.706 62.995 61.300 -0.017 0.000 1.334 1263 I CB -0.321 37.579 38.000 -0.168 0.000 1.040 1263 I HN 0.234 nan 8.210 nan 0.000 0.405 1264 E N 0.670 120.864 120.200 -0.009 0.000 2.401 1264 E HA -0.253 4.096 4.350 -0.001 0.000 0.199 1264 E C 1.630 178.248 176.600 0.030 0.000 1.023 1264 E CA 1.560 57.970 56.400 0.017 0.000 0.859 1264 E CB -0.427 29.273 29.700 -0.000 0.000 0.780 1264 E HN 0.449 nan 8.360 nan 0.000 0.523 1265 N N -0.319 118.393 118.700 0.021 0.000 2.173 1265 N HA -0.072 4.667 4.740 -0.001 0.000 0.184 1265 N C 1.367 176.904 175.510 0.046 0.000 1.025 1265 N CA 1.988 55.051 53.050 0.023 0.000 0.852 1265 N CB -0.226 38.264 38.487 0.005 0.000 0.998 1265 N HN 0.210 nan 8.380 nan 0.000 0.427 1266 T N 0.728 115.327 114.554 0.075 0.000 2.708 1266 T HA -0.111 4.238 4.350 -0.001 0.000 0.266 1266 T C 1.906 176.672 174.700 0.109 0.000 1.037 1266 T CA 1.082 63.239 62.100 0.096 0.000 1.146 1266 T CB -0.213 68.751 68.868 0.159 0.000 0.865 1266 T HN 0.228 nan 8.240 nan 0.000 0.435 1267 M N 0.359 120.064 119.600 0.176 0.000 2.144 1267 M HA -0.062 4.417 4.480 -0.001 0.000 0.260 1267 M C 2.143 178.487 176.300 0.074 0.000 1.067 1267 M CA 1.534 56.932 55.300 0.163 0.000 1.095 1267 M CB -0.554 32.148 32.600 0.170 0.000 1.365 1267 M HN 0.268 nan 8.290 nan 0.000 0.406 1268 L N -1.336 119.918 121.223 0.052 0.000 2.168 1268 L HA -0.075 4.264 4.340 -0.001 0.000 0.203 1268 L C 1.512 178.395 176.870 0.021 0.000 1.078 1268 L CA 0.795 55.651 54.840 0.027 0.000 0.780 1268 L CB -0.184 41.888 42.059 0.022 0.000 0.939 1268 L HN 0.110 nan 8.230 nan 0.000 0.451 1269 E N -0.457 119.759 120.200 0.027 0.000 2.465 1269 E HA 0.076 4.426 4.350 -0.001 0.000 0.195 1269 E C 0.638 177.254 176.600 0.027 0.000 1.028 1269 E CA 0.079 56.494 56.400 0.026 0.000 0.899 1269 E CB 0.297 30.010 29.700 0.023 0.000 1.032 1269 E HN 0.237 nan 8.360 nan 0.000 0.468 1270 N N -0.615 118.098 118.700 0.021 0.000 1.986 1270 N HA 0.070 4.809 4.740 -0.001 0.000 0.227 1270 N C -0.711 174.793 175.510 -0.010 0.000 1.387 1270 N CA -0.004 53.050 53.050 0.006 0.000 0.810 1270 N CB 1.201 39.683 38.487 -0.009 0.000 1.140 1270 N HN 0.022 nan 8.380 nan 0.000 0.504 1271 I N 2.398 122.964 120.570 -0.007 0.000 2.312 1271 I HA 0.172 4.342 4.170 -0.001 0.000 0.291 1271 I C 0.303 176.420 176.117 -0.001 0.000 1.031 1271 I CA 0.258 61.542 61.300 -0.027 0.000 1.293 1271 I CB 0.752 38.734 38.000 -0.030 0.000 1.403 1271 I HN -0.210 nan 8.210 nan 0.000 0.484 1272 T N 7.491 122.055 114.554 0.017 0.000 2.728 1272 T HA 0.259 4.608 4.350 -0.001 0.000 0.296 1272 T C 1.331 176.027 174.700 -0.006 0.000 0.940 1272 T CA -0.408 61.728 62.100 0.060 0.000 1.013 1272 T CB 1.612 70.555 68.868 0.124 0.000 0.912 1272 T HN 0.264 nan 8.240 nan 0.000 0.484 1273 L N 2.755 123.950 121.223 -0.047 0.000 2.007 1273 L HA 0.208 4.548 4.340 -0.001 0.000 0.205 1273 L C 1.450 178.297 176.870 -0.040 0.000 1.073 1273 L CA 1.489 56.292 54.840 -0.061 0.000 0.744 1273 L CB -0.241 41.765 42.059 -0.088 0.000 0.898 1273 L HN 0.665 nan 8.230 nan 0.000 0.435 1274 R N -1.825 118.660 120.500 -0.026 0.000 2.692 1274 R HA 0.550 4.889 4.340 -0.001 0.000 0.269 1274 R C -0.599 175.726 176.300 0.043 0.000 1.030 1274 R CA -0.135 55.964 56.100 -0.001 0.000 0.882 1274 R CB 0.987 31.274 30.300 -0.021 0.000 1.250 1274 R HN 0.203 nan 8.270 nan 0.000 0.465 1275 G N 0.239 109.072 108.800 0.054 0.000 2.592 1275 G HA2 -0.038 3.921 3.960 -0.001 0.000 0.684 1275 G HA3 -0.038 3.921 3.960 -0.001 0.000 0.684 1275 G C -1.512 173.450 174.900 0.102 0.000 1.291 1275 G CA -0.432 44.717 45.100 0.082 0.000 0.891 1275 G HN 0.614 nan 8.290 nan 0.000 0.544 1276 V N 1.143 121.097 119.914 0.067 0.000 2.398 1276 V HA 0.516 4.635 4.120 -0.001 0.000 0.286 1276 V C 0.752 176.780 176.094 -0.109 0.000 1.026 1276 V CA 0.037 62.331 62.300 -0.011 0.000 0.868 1276 V CB 1.215 33.028 31.823 -0.018 0.000 0.982 1276 V HN 1.086 nan 8.190 nan 0.000 0.443 1277 E N 4.903 124.941 120.200 -0.271 0.000 2.414 1277 E HA 0.173 4.522 4.350 -0.001 0.000 0.263 1277 E C 0.365 176.794 176.600 -0.285 0.000 1.000 1277 E CA -0.013 56.052 56.400 -0.558 0.000 0.914 1277 E CB 0.203 29.636 29.700 -0.445 0.000 0.948 1277 E HN 0.623 nan 8.360 nan 0.000 0.444 1278 N N 0.575 119.120 118.700 -0.258 0.000 2.928 1278 N HA -0.169 4.570 4.740 -0.001 0.000 0.186 1278 N C -0.591 174.897 175.510 -0.037 0.000 1.280 1278 N CA 1.095 54.083 53.050 -0.104 0.000 1.285 1278 N CB -1.302 37.135 38.487 -0.084 0.000 0.961 1278 N HN 0.524 nan 8.380 nan 0.000 0.549 1279 I N 2.897 123.453 120.570 -0.024 0.000 2.357 1279 I HA 0.066 4.235 4.170 -0.001 0.000 0.300 1279 I C 1.470 177.636 176.117 0.082 0.000 1.159 1279 I CA 0.555 61.870 61.300 0.025 0.000 1.339 1279 I CB 0.483 38.495 38.000 0.020 0.000 1.458 1279 I HN 0.116 nan 8.210 nan 0.000 0.577 1280 E N 4.298 124.540 120.200 0.070 0.000 2.013 1280 E HA 0.125 4.474 4.350 -0.001 0.000 0.196 1280 E C 1.008 177.656 176.600 0.081 0.000 0.964 1280 E CA 0.753 57.207 56.400 0.091 0.000 0.854 1280 E CB 0.138 29.879 29.700 0.069 0.000 0.816 1280 E HN 0.396 nan 8.360 nan 0.000 0.489 1281 R N 0.446 120.988 120.500 0.070 0.000 2.486 1281 R HA 0.448 4.788 4.340 -0.001 0.000 0.286 1281 R C -1.444 174.900 176.300 0.074 0.000 0.999 1281 R CA -0.293 55.860 56.100 0.089 0.000 0.993 1281 R CB 1.122 31.471 30.300 0.082 0.000 1.084 1281 R HN 0.117 nan 8.270 nan 0.000 0.487 1282 V N 4.317 124.277 119.914 0.077 0.000 2.612 1282 V HA 0.305 4.425 4.120 -0.001 0.000 0.301 1282 V C -0.807 175.238 176.094 -0.081 0.000 1.059 1282 V CA -0.754 61.541 62.300 -0.008 0.000 0.886 1282 V CB 2.158 33.959 31.823 -0.036 0.000 1.007 1282 V HN 0.562 nan 8.190 nan 0.000 0.426 1283 V N 4.976 124.860 119.914 -0.050 0.000 2.555 1283 V HA 0.547 4.666 4.120 -0.001 0.000 0.302 1283 V C -0.011 176.056 176.094 -0.044 0.000 1.038 1283 V CA -0.681 61.589 62.300 -0.051 0.000 0.887 1283 V CB 1.919 33.755 31.823 0.022 0.000 0.991 1283 V HN 0.830 nan 8.190 nan 0.000 0.434 1284 M N 5.088 124.658 119.600 -0.049 0.000 2.180 1284 M HA 0.589 5.068 4.480 -0.001 0.000 0.358 1284 M C -0.560 175.889 176.300 0.247 0.000 1.233 1284 M CA 0.392 55.710 55.300 0.030 0.000 1.114 1284 M CB 1.026 33.536 32.600 -0.150 0.000 1.594 1284 M HN 0.574 nan 8.290 nan 0.000 0.467 1285 M N 2.333 122.139 119.600 0.344 0.000 2.531 1285 M HA 0.382 4.861 4.480 -0.001 0.000 0.286 1285 M C -0.794 175.616 176.300 0.183 0.000 1.232 1285 M CA -0.795 54.693 55.300 0.313 0.000 0.877 1285 M CB 2.818 35.561 32.600 0.238 0.000 1.726 1285 M HN 0.456 nan 8.290 nan 0.000 0.463 1286 K N 2.277 122.639 120.400 -0.064 0.000 2.356 1286 K HA 0.391 4.711 4.320 -0.001 0.000 0.243 1286 K C -1.500 175.092 176.600 -0.014 0.000 1.072 1286 K CA -0.149 55.884 56.287 -0.422 0.000 1.014 1286 K CB 0.464 32.467 32.500 -0.829 0.000 1.523 1286 K HN 0.568 nan 8.250 nan 0.000 0.455 1287 Y N 1.624 121.836 120.300 -0.147 0.000 2.457 1287 Y HA -0.044 4.505 4.550 -0.001 0.000 0.341 1287 Y C 0.909 176.762 175.900 -0.079 0.000 1.240 1287 Y CA -0.771 57.292 58.100 -0.063 0.000 1.437 1287 Y CB 0.684 39.167 38.460 0.038 0.000 1.328 1287 Y HN 0.451 nan 8.280 nan 0.000 0.588 1288 D N 3.054 123.481 120.400 0.045 0.000 2.341 1288 D HA 0.193 4.832 4.640 -0.001 0.000 0.245 1288 D C -0.316 176.019 176.300 0.058 0.000 1.106 1288 D CA 0.062 54.069 54.000 0.012 0.000 0.905 1288 D CB 1.356 42.138 40.800 -0.031 0.000 1.202 1288 D HN 0.398 nan 8.370 nan 0.000 0.426 1289 R N 1.424 121.951 120.500 0.045 0.000 2.510 1289 R HA 0.168 4.507 4.340 -0.001 0.000 0.287 1289 R C -0.958 175.375 176.300 0.056 0.000 1.084 1289 R CA -0.659 55.476 56.100 0.058 0.000 0.934 1289 R CB 1.478 31.818 30.300 0.066 0.000 1.201 1289 R HN 0.269 nan 8.270 nan 0.000 0.431 1290 K N 2.725 123.167 120.400 0.070 0.000 2.258 1290 K HA 0.419 4.739 4.320 -0.001 0.000 0.284 1290 K C -0.997 175.734 176.600 0.219 0.000 1.051 1290 K CA -0.410 55.954 56.287 0.128 0.000 0.923 1290 K CB 1.875 34.429 32.500 0.091 0.000 1.046 1290 K HN 0.188 nan 8.250 nan 0.000 0.474 1291 V N 5.218 125.262 119.914 0.216 0.000 2.969 1291 V HA 0.237 4.356 4.120 -0.001 0.000 0.304 1291 V C -2.554 173.483 176.094 -0.094 0.000 1.192 1291 V CA -2.361 60.006 62.300 0.110 0.000 0.962 1291 V CB 2.554 34.400 31.823 0.039 0.000 1.045 1291 V HN 0.592 nan 8.190 nan 0.000 0.428 1292 P HA 0.057 nan 4.420 nan 0.000 0.260 1292 P C -0.193 176.973 177.300 -0.222 0.000 1.185 1292 P CA 0.731 63.536 63.100 -0.490 0.000 0.763 1292 P CB 0.356 31.778 31.700 -0.463 0.000 0.776 1293 S N 6.031 121.631 115.700 -0.167 0.000 2.589 1293 S HA 0.159 4.629 4.470 -0.001 0.000 0.265 1293 S C -0.897 173.650 174.600 -0.088 0.000 1.342 1293 S CA -1.029 57.117 58.200 -0.090 0.000 1.005 1293 S CB -0.265 62.902 63.200 -0.055 0.000 0.909 1293 S HN 0.310 nan 8.310 nan 0.000 0.555 1294 P HA -0.094 nan 4.420 nan 0.000 0.218 1294 P C 1.211 178.485 177.300 -0.043 0.000 1.146 1294 P CA 1.584 64.657 63.100 -0.046 0.000 0.813 1294 P CB -0.658 31.026 31.700 -0.027 0.000 0.778 1295 T N -5.580 108.952 114.554 -0.037 0.000 3.100 1295 T HA 0.379 4.728 4.350 -0.001 0.000 0.253 1295 T C 1.551 176.232 174.700 -0.033 0.000 1.118 1295 T CA 0.822 62.908 62.100 -0.023 0.000 1.058 1295 T CB -0.052 68.813 68.868 -0.005 0.000 0.953 1295 T HN 0.278 nan 8.240 nan 0.000 0.515 1296 G N 1.766 110.522 108.800 -0.073 0.000 2.799 1296 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.200 1296 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.200 1296 G C -0.269 174.550 174.900 -0.135 0.000 1.206 1296 G CA -0.235 44.803 45.100 -0.103 0.000 0.827 1296 G HN 0.724 nan 8.290 nan 0.000 0.511 1297 E N 1.434 121.602 120.200 -0.054 0.000 2.415 1297 E HA 0.481 4.831 4.350 -0.001 0.000 0.262 1297 E C -0.508 176.059 176.600 -0.055 0.000 1.038 1297 E CA -0.443 55.959 56.400 0.004 0.000 0.921 1297 E CB 0.155 29.888 29.700 0.055 0.000 0.950 1297 E HN 0.476 nan 8.360 nan 0.000 0.438 1298 Y N 0.618 120.919 120.300 0.001 0.000 2.442 1298 Y HA 0.318 4.867 4.550 -0.001 0.000 0.330 1298 Y C 0.226 176.125 175.900 -0.002 0.000 1.129 1298 Y CA -0.231 57.868 58.100 -0.001 0.000 1.365 1298 Y CB 0.711 39.172 38.460 0.003 0.000 1.233 1298 Y HN 0.216 nan 8.280 nan 0.000 0.529 1299 V N 2.604 122.584 119.914 0.109 0.000 3.001 1299 V HA 0.359 4.478 4.120 -0.001 0.000 0.314 1299 V C -0.562 175.568 176.094 0.060 0.000 1.099 1299 V CA -2.017 60.322 62.300 0.066 0.000 0.989 1299 V CB 1.994 33.832 31.823 0.025 0.000 1.040 1299 V HN 0.515 nan 8.190 nan 0.000 0.434 1300 K N 2.489 122.911 120.400 0.036 0.000 2.363 1300 K HA 0.221 4.540 4.320 -0.001 0.000 0.289 1300 K C -0.173 176.432 176.600 0.010 0.000 1.063 1300 K CA 0.263 56.562 56.287 0.020 0.000 0.967 1300 K CB 0.338 32.840 32.500 0.004 0.000 0.987 1300 K HN 0.667 nan 8.250 nan 0.000 0.473 1301 E N 5.776 125.984 120.200 0.013 0.000 2.267 1301 E HA 0.237 4.586 4.350 -0.001 0.000 0.248 1301 E C -2.652 173.945 176.600 -0.006 0.000 0.899 1301 E CA -2.272 54.130 56.400 0.003 0.000 0.764 1301 E CB 1.429 31.135 29.700 0.011 0.000 1.227 1301 E HN 0.262 nan 8.360 nan 0.000 0.421 1302 P HA 0.182 nan 4.420 nan 0.000 0.284 1302 P C -1.228 176.006 177.300 -0.109 0.000 1.253 1302 P CA -0.222 62.833 63.100 -0.076 0.000 0.800 1302 P CB 0.845 32.468 31.700 -0.128 0.000 0.961 1303 E N 1.184 121.323 120.200 -0.101 0.000 2.317 1303 E HA 0.425 4.774 4.350 -0.001 0.000 0.270 1303 E C -1.413 175.109 176.600 -0.130 0.000 0.885 1303 E CA -0.990 55.374 56.400 -0.060 0.000 0.760 1303 E CB 1.096 30.837 29.700 0.067 0.000 1.227 1303 E HN 0.276 nan 8.360 nan 0.000 0.434 1304 W N 2.040 123.350 121.300 0.017 0.000 2.311 1304 W HA 0.432 5.091 4.660 -0.002 0.000 0.310 1304 W C -0.763 175.694 176.519 -0.105 0.000 1.274 1304 W CA -0.483 56.840 57.345 -0.036 0.000 1.215 1304 W CB 1.450 30.890 29.460 -0.033 0.000 1.227 1304 W HN 0.236 nan 8.180 nan 0.000 0.523 1305 V N 5.672 125.606 119.914 0.034 0.000 2.540 1305 V HA 0.379 4.498 4.120 -0.001 0.000 0.302 1305 V C -0.055 175.912 176.094 -0.211 0.000 1.035 1305 V CA -1.160 60.968 62.300 -0.287 0.000 0.873 1305 V CB 1.444 32.737 31.823 -0.883 0.000 0.992 1305 V HN 0.326 nan 8.190 nan 0.000 0.428 1306 L N 3.827 124.922 121.223 -0.213 0.000 2.312 1306 L HA 0.589 4.928 4.340 -0.001 0.000 0.281 1306 L C 0.035 176.813 176.870 -0.153 0.000 1.070 1306 L CA -0.157 54.597 54.840 -0.144 0.000 0.805 1306 L CB 1.338 43.330 42.059 -0.112 0.000 1.174 1306 L HN 0.676 nan 8.230 nan 0.000 0.434 1307 E N 1.306 121.456 120.200 -0.084 0.000 2.218 1307 E HA 0.364 4.713 4.350 -0.001 0.000 0.263 1307 E C -1.258 175.337 176.600 -0.008 0.000 0.879 1307 E CA -0.354 56.023 56.400 -0.037 0.000 0.762 1307 E CB 2.033 31.738 29.700 0.008 0.000 1.166 1307 E HN 0.457 nan 8.360 nan 0.000 0.415 1308 T N 2.570 117.125 114.554 0.002 0.000 2.918 1308 T HA 0.334 4.683 4.350 -0.001 0.000 0.286 1308 T C -1.182 173.534 174.700 0.026 0.000 1.026 1308 T CA -0.768 61.338 62.100 0.010 0.000 1.031 1308 T CB 0.873 69.740 68.868 -0.002 0.000 1.046 1308 T HN 0.283 nan 8.240 nan 0.000 0.479 1309 D N 1.675 122.094 120.400 0.031 0.000 2.454 1309 D HA 0.590 5.229 4.640 -0.001 0.000 0.225 1309 D C 0.430 176.744 176.300 0.024 0.000 1.081 1309 D CA 0.331 54.351 54.000 0.034 0.000 0.864 1309 D CB 0.842 41.668 40.800 0.043 0.000 1.040 1309 D HN 0.936 nan 8.370 nan 0.000 0.517 1310 G N 0.002 108.810 108.800 0.013 0.000 2.459 1310 G HA2 0.109 4.068 3.960 -0.001 0.000 0.685 1310 G HA3 0.109 4.068 3.960 -0.001 0.000 0.685 1310 G C -1.482 173.409 174.900 -0.015 0.000 1.303 1310 G CA -1.007 44.092 45.100 -0.002 0.000 0.907 1310 G HN 0.376 nan 8.290 nan 0.000 0.632 1311 V N 1.631 121.527 119.914 -0.029 0.000 2.482 1311 V HA 0.700 4.819 4.120 -0.001 0.000 0.295 1311 V C -0.424 175.644 176.094 -0.045 0.000 1.026 1311 V CA -0.929 61.347 62.300 -0.039 0.000 0.856 1311 V CB 1.901 33.692 31.823 -0.052 0.000 1.001 1311 V HN 0.847 nan 8.190 nan 0.000 0.424 1312 N N 3.770 122.445 118.700 -0.041 0.000 2.690 1312 N HA 0.242 4.981 4.740 -0.001 0.000 0.255 1312 N C 0.253 175.743 175.510 -0.032 0.000 1.195 1312 N CA -0.427 52.598 53.050 -0.042 0.000 0.790 1312 N CB 1.588 40.046 38.487 -0.050 0.000 1.216 1312 N HN 0.562 nan 8.380 nan 0.000 0.528 1313 L N 2.677 123.881 121.223 -0.032 0.000 1.988 1313 L HA 0.067 4.406 4.340 -0.001 0.000 0.207 1313 L C 1.751 178.613 176.870 -0.012 0.000 1.071 1313 L CA 2.061 56.887 54.840 -0.023 0.000 0.744 1313 L CB -0.730 41.312 42.059 -0.028 0.000 0.893 1313 L HN 0.534 nan 8.230 nan 0.000 0.433 1314 S N -1.899 113.793 115.700 -0.014 0.000 2.786 1314 S HA 0.051 4.520 4.470 -0.001 0.000 0.223 1314 S C 1.295 175.890 174.600 -0.009 0.000 0.956 1314 S CA 0.248 58.444 58.200 -0.007 0.000 0.961 1314 S CB -0.505 62.691 63.200 -0.006 0.000 0.784 1314 S HN 0.611 nan 8.310 nan 0.000 0.519 1315 E N 0.205 120.398 120.200 -0.013 0.000 2.364 1315 E HA 0.140 4.489 4.350 -0.001 0.000 0.203 1315 E C 1.330 177.924 176.600 -0.009 0.000 0.888 1315 E CA 0.474 56.865 56.400 -0.014 0.000 0.989 1315 E CB 0.471 30.157 29.700 -0.024 0.000 0.985 1315 E HN 0.443 nan 8.360 nan 0.000 0.499 1316 V N 2.386 122.296 119.914 -0.008 0.000 3.235 1316 V HA -0.109 4.010 4.120 -0.001 0.000 0.259 1316 V C 2.349 178.446 176.094 0.006 0.000 1.133 1316 V CA 0.971 63.269 62.300 -0.003 0.000 1.128 1316 V CB -0.393 31.426 31.823 -0.007 0.000 0.757 1316 V HN 0.319 nan 8.190 nan 0.000 0.469 1317 M N 0.685 120.291 119.600 0.010 0.000 2.419 1317 M HA -0.017 4.462 4.480 -0.001 0.000 0.264 1317 M C 1.806 178.117 176.300 0.018 0.000 1.082 1317 M CA 1.936 57.249 55.300 0.021 0.000 1.119 1317 M CB -0.864 31.752 32.600 0.027 0.000 1.398 1317 M HN 0.315 nan 8.290 nan 0.000 0.453 1318 T N -1.430 113.130 114.554 0.010 0.000 3.107 1318 T HA 0.293 4.642 4.350 -0.001 0.000 0.249 1318 T C 0.459 175.162 174.700 0.006 0.000 1.096 1318 T CA -0.405 61.700 62.100 0.008 0.000 1.012 1318 T CB -0.582 68.288 68.868 0.004 0.000 0.977 1318 T HN 0.187 nan 8.240 nan 0.000 0.527 1319 V N 4.762 124.680 119.914 0.007 0.000 2.637 1319 V HA 0.267 4.386 4.120 -0.001 0.000 0.296 1319 V C -1.684 174.415 176.094 0.009 0.000 1.046 1319 V CA -1.773 60.530 62.300 0.006 0.000 1.066 1319 V CB 0.677 32.503 31.823 0.004 0.000 0.968 1319 V HN 0.432 nan 8.190 nan 0.000 0.483 1320 P HA 0.276 nan 4.420 nan 0.000 0.271 1320 P C 0.713 178.020 177.300 0.012 0.000 1.216 1320 P CA 0.820 63.924 63.100 0.008 0.000 0.776 1320 P CB 1.214 32.917 31.700 0.004 0.000 0.881 1321 G N 1.987 110.798 108.800 0.017 0.000 2.254 1321 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.225 1321 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.225 1321 G C 0.130 175.054 174.900 0.040 0.000 1.003 1321 G CA 0.195 45.313 45.100 0.029 0.000 0.622 1321 G HN 0.745 nan 8.290 nan 0.000 0.507 1322 I N -0.082 120.510 120.570 0.037 0.000 2.822 1322 I HA 0.751 4.920 4.170 -0.001 0.000 0.312 1322 I C -1.168 174.986 176.117 0.061 0.000 1.011 1322 I CA -1.184 60.148 61.300 0.053 0.000 1.105 1322 I CB 1.661 39.688 38.000 0.044 0.000 1.291 1322 I HN -0.050 nan 8.210 nan 0.000 0.474 1323 D N 5.760 126.213 120.400 0.089 0.000 2.352 1323 D HA 0.323 4.962 4.640 -0.001 0.000 0.245 1323 D C -1.953 174.404 176.300 0.094 0.000 1.224 1323 D CA -1.982 52.070 54.000 0.087 0.000 0.879 1323 D CB 1.193 42.057 40.800 0.108 0.000 1.057 1323 D HN 0.334 nan 8.370 nan 0.000 0.491 1324 P HA 0.042 nan 4.420 nan 0.000 0.245 1324 P C 0.875 178.215 177.300 0.067 0.000 1.212 1324 P CA 0.348 63.485 63.100 0.062 0.000 0.774 1324 P CB 0.563 32.287 31.700 0.040 0.000 0.999 1325 T N -1.250 113.343 114.554 0.066 0.000 3.015 1325 T HA 0.170 4.519 4.350 -0.001 0.000 0.250 1325 T C 1.354 176.091 174.700 0.062 0.000 1.057 1325 T CA 0.456 62.585 62.100 0.050 0.000 1.066 1325 T CB 0.069 68.952 68.868 0.024 0.000 0.959 1325 T HN 0.041 nan 8.240 nan 0.000 0.488 1326 R N -0.034 120.522 120.500 0.094 0.000 2.476 1326 R HA 0.436 4.775 4.340 -0.001 0.000 0.276 1326 R C 0.363 176.870 176.300 0.345 0.000 0.941 1326 R CA -0.233 55.932 56.100 0.109 0.000 1.088 1326 R CB 0.723 30.973 30.300 -0.083 0.000 1.216 1326 R HN 0.310 nan 8.270 nan 0.000 0.533 1327 I N 1.474 122.225 120.570 0.303 0.000 2.752 1327 I HA -0.078 4.091 4.170 -0.001 0.000 0.287 1327 I C -0.752 175.557 176.117 0.321 0.000 1.188 1327 I CA 0.423 61.899 61.300 0.294 0.000 1.427 1327 I CB 0.380 38.471 38.000 0.152 0.000 1.365 1327 I HN 0.023 nan 8.210 nan 0.000 0.585 1328 Y N 5.194 125.586 120.300 0.154 0.000 2.534 1328 Y HA 0.434 4.983 4.550 -0.002 0.000 0.345 1328 Y C -0.931 175.029 175.900 0.101 0.000 1.031 1328 Y CA -0.558 57.630 58.100 0.147 0.000 1.022 1328 Y CB 2.042 40.628 38.460 0.210 0.000 1.292 1328 Y HN 0.446 nan 8.280 nan 0.000 0.459 1329 T N 4.555 118.691 114.554 -0.697 0.000 2.921 1329 T HA 0.161 4.510 4.350 -0.001 0.000 0.297 1329 T C 0.435 174.734 174.700 -0.667 0.000 1.013 1329 T CA -0.571 61.233 62.100 -0.494 0.000 0.990 1329 T CB 0.904 69.626 68.868 -0.244 0.000 1.023 1329 T HN 0.794 nan 8.240 nan 0.000 0.447 1330 N N 1.680 120.244 118.700 -0.228 0.000 2.205 1330 N HA -0.098 4.641 4.740 -0.001 0.000 0.186 1330 N C 1.052 176.567 175.510 0.009 0.000 1.015 1330 N CA 0.693 53.738 53.050 -0.008 0.000 0.862 1330 N CB -0.085 38.487 38.487 0.141 0.000 0.986 1330 N HN 0.387 nan 8.380 nan 0.000 0.429 1331 S N 0.246 115.893 115.700 -0.088 0.000 2.670 1331 S HA 0.045 4.514 4.470 -0.001 0.000 0.328 1331 S C 0.609 175.110 174.600 -0.165 0.000 1.179 1331 S CA -0.862 57.241 58.200 -0.161 0.000 1.194 1331 S CB -1.174 61.926 63.200 -0.167 0.000 1.359 1331 S HN 0.390 nan 8.310 nan 0.000 0.555 1332 F N 3.598 123.520 119.950 -0.047 0.000 2.546 1332 F HA 0.178 4.704 4.527 -0.002 0.000 0.298 1332 F C 1.396 177.191 175.800 -0.007 0.000 1.120 1332 F CA 0.087 58.073 58.000 -0.023 0.000 1.456 1332 F CB -0.289 38.730 39.000 0.032 0.000 1.088 1332 F HN 0.496 nan 8.300 nan 0.000 0.572 1333 I N 0.986 121.202 120.570 -0.589 0.000 3.291 1333 I HA -0.109 4.060 4.170 -0.001 0.000 0.279 1333 I C 1.074 177.101 176.117 -0.149 0.000 1.294 1333 I CA 0.995 62.081 61.300 -0.357 0.000 1.428 1333 I CB -0.708 37.014 38.000 -0.464 0.000 1.070 1333 I HN 0.245 nan 8.210 nan 0.000 0.478 1334 D N 0.054 120.376 120.400 -0.129 0.000 2.323 1334 D HA 0.038 4.677 4.640 -0.001 0.000 0.218 1334 D C 2.276 178.557 176.300 -0.031 0.000 0.973 1334 D CA 0.348 54.303 54.000 -0.075 0.000 0.890 1334 D CB 0.649 41.396 40.800 -0.088 0.000 1.011 1334 D HN 0.175 nan 8.370 nan 0.000 0.499 1335 I N 1.615 122.175 120.570 -0.017 0.000 2.163 1335 I HA -0.239 3.930 4.170 -0.001 0.000 0.243 1335 I C 2.497 178.646 176.117 0.054 0.000 1.085 1335 I CA 0.912 62.225 61.300 0.023 0.000 1.347 1335 I CB -0.626 37.401 38.000 0.046 0.000 1.044 1335 I HN 0.090 nan 8.210 nan 0.000 0.408 1336 M N 0.817 120.464 119.600 0.079 0.000 2.144 1336 M HA -0.237 4.242 4.480 -0.001 0.000 0.260 1336 M C 1.990 178.318 176.300 0.046 0.000 1.067 1336 M CA 1.901 57.251 55.300 0.083 0.000 1.095 1336 M CB -0.514 32.154 32.600 0.113 0.000 1.365 1336 M HN 0.308 nan 8.290 nan 0.000 0.406 1337 E N -1.280 118.934 120.200 0.022 0.000 2.170 1337 E HA -0.082 4.267 4.350 -0.001 0.000 0.191 1337 E C 1.964 178.570 176.600 0.011 0.000 0.981 1337 E CA 0.987 57.394 56.400 0.011 0.000 0.830 1337 E CB 0.220 29.915 29.700 -0.008 0.000 0.775 1337 E HN 0.386 nan 8.360 nan 0.000 0.470 1338 V N 0.918 120.839 119.914 0.011 0.000 2.492 1338 V HA -0.055 4.064 4.120 -0.001 0.000 0.241 1338 V C 1.864 177.971 176.094 0.022 0.000 1.041 1338 V CA 0.921 63.228 62.300 0.012 0.000 1.057 1338 V CB -0.031 31.797 31.823 0.007 0.000 0.711 1338 V HN 0.203 nan 8.190 nan 0.000 0.468 1339 L N 0.272 121.513 121.223 0.031 0.000 2.667 1339 L HA 0.556 4.896 4.340 -0.001 0.000 0.232 1339 L C 1.045 177.940 176.870 0.042 0.000 1.138 1339 L CA 0.521 55.384 54.840 0.038 0.000 0.921 1339 L CB -0.482 41.607 42.059 0.050 0.000 1.180 1339 L HN 0.506 nan 8.230 nan 0.000 0.487 1340 G N 1.023 109.847 108.800 0.042 0.000 2.796 1340 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.571 1340 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.571 1340 G C 0.157 175.091 174.900 0.057 0.000 1.370 1340 G CA -0.085 45.042 45.100 0.044 0.000 0.856 1340 G HN 0.023 nan 8.290 nan 0.000 0.538 1341 I N 0.093 120.696 120.570 0.055 0.000 2.439 1341 I HA 0.055 4.224 4.170 -0.001 0.000 0.251 1341 I C 2.342 178.501 176.117 0.069 0.000 1.139 1341 I CA 2.388 63.727 61.300 0.066 0.000 1.438 1341 I CB -0.194 37.842 38.000 0.060 0.000 1.085 1341 I HN 0.600 nan 8.210 nan 0.000 0.427 1342 E N 0.707 120.943 120.200 0.059 0.000 2.072 1342 E HA -0.104 4.245 4.350 -0.001 0.000 0.190 1342 E C 2.267 178.907 176.600 0.067 0.000 0.982 1342 E CA 1.278 57.712 56.400 0.056 0.000 0.803 1342 E CB -0.429 29.296 29.700 0.042 0.000 0.755 1342 E HN 0.570 nan 8.360 nan 0.000 0.453 1343 A N 1.158 124.021 122.820 0.071 0.000 1.972 1343 A HA -0.086 4.233 4.320 -0.001 0.000 0.219 1343 A C 2.414 180.070 177.584 0.120 0.000 1.169 1343 A CA 1.827 53.918 52.037 0.091 0.000 0.635 1343 A CB -1.042 18.009 19.000 0.086 0.000 0.810 1343 A HN 0.328 nan 8.150 nan 0.000 0.446 1344 G N -0.332 108.538 108.800 0.117 0.000 2.514 1344 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.217 1344 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.217 1344 G C 1.760 176.740 174.900 0.133 0.000 1.198 1344 G CA 1.131 46.322 45.100 0.152 0.000 0.780 1344 G HN 0.529 nan 8.290 nan 0.000 0.565 1345 R N 0.693 121.252 120.500 0.098 0.000 2.096 1345 R HA -0.111 4.228 4.340 -0.001 0.000 0.240 1345 R C 2.918 179.279 176.300 0.101 0.000 1.139 1345 R CA 1.771 57.916 56.100 0.074 0.000 0.952 1345 R CB -0.594 29.742 30.300 0.059 0.000 0.854 1345 R HN 0.310 nan 8.270 nan 0.000 0.436 1346 A N 0.503 123.390 122.820 0.111 0.000 1.908 1346 A HA -0.151 4.169 4.320 -0.001 0.000 0.218 1346 A C 2.322 180.044 177.584 0.230 0.000 1.181 1346 A CA 1.961 54.085 52.037 0.145 0.000 0.627 1346 A CB -0.663 18.402 19.000 0.107 0.000 0.818 1346 A HN 0.568 nan 8.150 nan 0.000 0.445 1347 A N -0.829 122.138 122.820 0.245 0.000 1.929 1347 A HA 0.112 4.431 4.320 -0.001 0.000 0.216 1347 A C 2.079 179.795 177.584 0.219 0.000 1.176 1347 A CA 1.472 53.716 52.037 0.345 0.000 0.628 1347 A CB -0.528 18.683 19.000 0.351 0.000 0.816 1347 A HN 0.690 nan 8.150 nan 0.000 0.444 1348 L N -1.123 120.125 121.223 0.042 0.000 2.012 1348 L HA -0.177 4.163 4.340 -0.001 0.000 0.210 1348 L C 2.296 179.113 176.870 -0.089 0.000 1.073 1348 L CA 2.586 57.253 54.840 -0.288 0.000 0.748 1348 L CB -1.042 40.770 42.059 -0.411 0.000 0.891 1348 L HN 0.551 nan 8.230 nan 0.000 0.431 1349 Y N 0.443 120.720 120.300 -0.038 0.000 2.145 1349 Y HA -0.286 4.263 4.550 -0.001 0.000 0.286 1349 Y C 2.687 178.653 175.900 0.110 0.000 1.145 1349 Y CA 2.377 60.489 58.100 0.020 0.000 1.148 1349 Y CB -0.235 38.245 38.460 0.034 0.000 0.981 1349 Y HN 0.276 nan 8.280 nan 0.000 0.507 1350 K N -0.058 120.479 120.400 0.229 0.000 2.147 1350 K HA -0.242 4.078 4.320 -0.001 0.000 0.205 1350 K C 1.965 178.660 176.600 0.159 0.000 1.049 1350 K CA 1.787 58.198 56.287 0.207 0.000 0.936 1350 K CB -0.110 32.538 32.500 0.247 0.000 0.722 1350 K HN 0.335 nan 8.250 nan 0.000 0.446 1351 E N -0.156 120.125 120.200 0.135 0.000 2.051 1351 E HA -0.070 4.279 4.350 -0.001 0.000 0.189 1351 E C 1.761 178.377 176.600 0.027 0.000 0.979 1351 E CA 0.899 57.378 56.400 0.133 0.000 0.803 1351 E CB 0.026 29.824 29.700 0.164 0.000 0.761 1351 E HN 0.081 nan 8.360 nan 0.000 0.451 1352 V N 0.681 120.552 119.914 -0.072 0.000 2.255 1352 V HA -0.289 3.830 4.120 -0.001 0.000 0.247 1352 V C 2.149 178.177 176.094 -0.110 0.000 1.051 1352 V CA 2.202 64.439 62.300 -0.105 0.000 1.018 1352 V CB -0.769 30.965 31.823 -0.149 0.000 0.641 1352 V HN 0.436 nan 8.190 nan 0.000 0.445 1353 Y N 1.320 121.415 120.300 -0.343 0.000 2.193 1353 Y HA -0.281 4.268 4.550 -0.001 0.000 0.285 1353 Y C 2.470 178.320 175.900 -0.082 0.000 1.166 1353 Y CA 2.178 60.114 58.100 -0.273 0.000 1.181 1353 Y CB -0.369 37.817 38.460 -0.456 0.000 0.976 1353 Y HN 0.256 nan 8.280 nan 0.000 0.520 1354 N N -0.119 118.544 118.700 -0.061 0.000 2.396 1354 N HA -0.119 4.620 4.740 -0.001 0.000 0.180 1354 N C 1.714 177.167 175.510 -0.094 0.000 1.028 1354 N CA 1.116 54.121 53.050 -0.075 0.000 0.893 1354 N CB 0.061 38.601 38.487 0.089 0.000 0.967 1354 N HN 0.347 nan 8.380 nan 0.000 0.440 1355 V N 1.801 121.667 119.914 -0.079 0.000 2.283 1355 V HA -0.193 3.927 4.120 -0.001 0.000 0.243 1355 V C 2.396 178.438 176.094 -0.087 0.000 1.039 1355 V CA 0.990 63.254 62.300 -0.060 0.000 1.016 1355 V CB -0.305 31.493 31.823 -0.042 0.000 0.650 1355 V HN 0.168 nan 8.190 nan 0.000 0.449 1356 I N 1.161 121.656 120.570 -0.125 0.000 2.069 1356 I HA -0.263 3.906 4.170 -0.001 0.000 0.237 1356 I C 2.764 178.799 176.117 -0.137 0.000 1.053 1356 I CA 2.321 63.551 61.300 -0.115 0.000 1.311 1356 I CB -2.028 35.907 38.000 -0.108 0.000 1.030 1356 I HN 0.307 nan 8.210 nan 0.000 0.398 1357 A N 1.310 123.951 122.820 -0.298 0.000 1.877 1357 A HA -0.217 4.102 4.320 -0.001 0.000 0.216 1357 A C 2.597 180.118 177.584 -0.105 0.000 1.186 1357 A CA 2.868 54.746 52.037 -0.266 0.000 0.620 1357 A CB -1.060 17.589 19.000 -0.586 0.000 0.822 1357 A HN 0.613 nan 8.150 nan 0.000 0.443 1358 S N 0.394 116.047 115.700 -0.079 0.000 2.359 1358 S HA -0.296 4.173 4.470 -0.001 0.000 0.224 1358 S C 1.692 176.333 174.600 0.068 0.000 1.035 1358 S CA 1.942 60.162 58.200 0.033 0.000 1.018 1358 S CB -0.886 62.353 63.200 0.065 0.000 0.876 1358 S HN 0.586 nan 8.310 nan 0.000 0.448 1359 D N 1.497 121.915 120.400 0.030 0.000 2.172 1359 D HA -0.038 4.601 4.640 -0.001 0.000 0.196 1359 D C 1.522 177.863 176.300 0.068 0.000 0.999 1359 D CA 2.463 56.492 54.000 0.049 0.000 0.856 1359 D CB -0.735 40.073 40.800 0.012 0.000 0.934 1359 D HN 0.754 nan 8.370 nan 0.000 0.453 1360 G N -1.903 106.924 108.800 0.045 0.000 2.296 1360 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.188 1360 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.188 1360 G C 0.341 175.274 174.900 0.054 0.000 1.000 1360 G CA 0.185 45.317 45.100 0.054 0.000 0.672 1360 G HN 0.357 nan 8.290 nan 0.000 0.483 1361 S N -0.006 115.722 115.700 0.046 0.000 2.610 1361 S HA 0.661 5.130 4.470 -0.001 0.000 0.273 1361 S C -0.675 174.004 174.600 0.132 0.000 1.274 1361 S CA -0.290 57.952 58.200 0.069 0.000 1.023 1361 S CB 1.353 64.573 63.200 0.032 0.000 0.962 1361 S HN 0.723 nan 8.310 nan 0.000 0.523 1362 Y N 1.705 122.019 120.300 0.024 0.000 2.446 1362 Y HA 0.676 5.226 4.550 -0.001 0.000 0.345 1362 Y C -1.281 174.675 175.900 0.093 0.000 0.984 1362 Y CA -1.222 56.913 58.100 0.057 0.000 1.058 1362 Y CB 0.895 39.399 38.460 0.074 0.000 1.220 1362 Y HN 0.340 nan 8.280 nan 0.000 0.455 1363 V N 5.898 125.685 119.914 -0.211 0.000 2.623 1363 V HA 0.223 4.342 4.120 -0.001 0.000 0.304 1363 V C -0.500 175.453 176.094 -0.236 0.000 1.054 1363 V CA -1.313 60.814 62.300 -0.289 0.000 0.882 1363 V CB 1.687 33.512 31.823 0.004 0.000 1.002 1363 V HN 0.872 nan 8.190 nan 0.000 0.424 1364 N N 2.269 120.797 118.700 -0.288 0.000 2.356 1364 N HA -0.106 4.633 4.740 -0.001 0.000 0.252 1364 N C 0.901 176.502 175.510 0.151 0.000 1.241 1364 N CA 0.491 53.545 53.050 0.007 0.000 0.861 1364 N CB 0.224 38.685 38.487 -0.043 0.000 1.075 1364 N HN 0.729 nan 8.380 nan 0.000 0.461 1365 Y N 4.103 124.514 120.300 0.184 0.000 2.241 1365 Y HA -0.286 4.263 4.550 -0.001 0.000 0.286 1365 Y C 1.890 177.792 175.900 0.004 0.000 1.166 1365 Y CA 2.008 60.222 58.100 0.190 0.000 1.203 1365 Y CB 0.025 38.587 38.460 0.169 0.000 0.977 1365 Y HN 0.714 nan 8.280 nan 0.000 0.529 1366 R N -1.179 119.189 120.500 -0.219 0.000 2.241 1366 R HA -0.137 4.203 4.340 -0.001 0.000 0.224 1366 R C 1.337 177.425 176.300 -0.353 0.000 1.101 1366 R CA 1.493 57.340 56.100 -0.421 0.000 0.995 1366 R CB -0.765 29.220 30.300 -0.524 0.000 0.870 1366 R HN 0.474 nan 8.270 nan 0.000 0.463 1367 H N 1.218 120.254 119.070 -0.057 0.000 2.344 1367 H HA 0.161 4.717 4.556 -0.001 0.000 0.307 1367 H C 2.285 177.588 175.328 -0.043 0.000 1.057 1367 H CA 1.267 57.305 56.048 -0.017 0.000 1.373 1367 H CB -0.285 29.482 29.762 0.008 0.000 1.421 1367 H HN 0.135 nan 8.280 nan 0.000 0.532 1368 M N 0.815 120.478 119.600 0.104 0.000 2.080 1368 M HA -0.105 4.374 4.480 -0.001 0.000 0.260 1368 M C 2.735 179.060 176.300 0.043 0.000 1.068 1368 M CA 1.560 56.910 55.300 0.084 0.000 1.109 1368 M CB -0.499 32.182 32.600 0.135 0.000 1.342 1368 M HN 0.210 nan 8.290 nan 0.000 0.405 1369 A N 0.630 123.339 122.820 -0.185 0.000 1.958 1369 A HA -0.206 4.114 4.320 -0.001 0.000 0.221 1369 A C 2.166 179.653 177.584 -0.163 0.000 1.178 1369 A CA 1.874 53.690 52.037 -0.369 0.000 0.642 1369 A CB -0.856 17.587 19.000 -0.927 0.000 0.816 1369 A HN 0.482 nan 8.150 nan 0.000 0.453 1370 L N -1.113 120.046 121.223 -0.106 0.000 2.179 1370 L HA 0.015 4.354 4.340 -0.001 0.000 0.208 1370 L C 2.127 178.982 176.870 -0.025 0.000 1.096 1370 L CA 1.771 56.591 54.840 -0.033 0.000 0.779 1370 L CB -0.523 41.563 42.059 0.044 0.000 0.922 1370 L HN 0.356 nan 8.230 nan 0.000 0.443 1371 L N -1.291 119.919 121.223 -0.021 0.000 2.027 1371 L HA -0.086 4.253 4.340 -0.001 0.000 0.206 1371 L C 2.350 179.199 176.870 -0.035 0.000 1.074 1371 L CA 1.836 56.653 54.840 -0.038 0.000 0.745 1371 L CB -0.924 41.111 42.059 -0.039 0.000 0.898 1371 L HN 0.061 nan 8.230 nan 0.000 0.433 1372 V N 0.271 120.175 119.914 -0.016 0.000 2.261 1372 V HA -0.296 3.823 4.120 -0.001 0.000 0.246 1372 V C 2.385 178.473 176.094 -0.009 0.000 1.047 1372 V CA 2.140 64.436 62.300 -0.007 0.000 1.015 1372 V CB -0.723 31.135 31.823 0.057 0.000 0.642 1372 V HN 0.505 nan 8.190 nan 0.000 0.446 1373 D N -0.263 120.128 120.400 -0.016 0.000 2.133 1373 D HA -0.163 4.476 4.640 -0.001 0.000 0.195 1373 D C 2.137 178.431 176.300 -0.010 0.000 0.997 1373 D CA 1.546 55.539 54.000 -0.011 0.000 0.840 1373 D CB -0.215 40.573 40.800 -0.020 0.000 0.947 1373 D HN 0.326 nan 8.370 nan 0.000 0.452 1374 V N 0.986 120.887 119.914 -0.022 0.000 2.427 1374 V HA -0.193 3.926 4.120 -0.001 0.000 0.248 1374 V C 2.345 178.436 176.094 -0.006 0.000 1.051 1374 V CA 1.152 63.437 62.300 -0.025 0.000 1.048 1374 V CB -0.311 31.480 31.823 -0.053 0.000 0.666 1374 V HN 0.230 nan 8.190 nan 0.000 0.456 1375 M N -1.118 118.480 119.600 -0.005 0.000 2.686 1375 M HA -0.067 4.412 4.480 -0.001 0.000 0.246 1375 M C 1.577 177.900 176.300 0.040 0.000 1.096 1375 M CA 1.128 56.441 55.300 0.021 0.000 1.076 1375 M CB -0.083 32.521 32.600 0.007 0.000 1.504 1375 M HN 0.306 nan 8.290 nan 0.000 0.524 1376 T N -1.635 112.938 114.554 0.032 0.000 3.131 1376 T HA 0.043 4.393 4.350 -0.001 0.000 0.283 1376 T C 1.361 176.086 174.700 0.041 0.000 0.906 1376 T CA 0.552 62.678 62.100 0.043 0.000 0.882 1376 T CB 0.254 69.147 68.868 0.040 0.000 1.208 1376 T HN 0.424 nan 8.240 nan 0.000 0.561 1377 T N -0.454 114.118 114.554 0.029 0.000 3.148 1377 T HA 0.203 4.552 4.350 -0.001 0.000 0.253 1377 T C 1.454 176.173 174.700 0.032 0.000 1.134 1377 T CA 0.224 62.341 62.100 0.027 0.000 1.051 1377 T CB 0.026 68.897 68.868 0.005 0.000 0.959 1377 T HN 0.259 nan 8.240 nan 0.000 0.525 1378 Q N 0.175 119.998 119.800 0.038 0.000 2.402 1378 Q HA 0.292 4.631 4.340 -0.001 0.000 0.206 1378 Q C 1.766 177.793 176.000 0.044 0.000 0.919 1378 Q CA 0.712 56.539 55.803 0.040 0.000 0.923 1378 Q CB 0.339 29.105 28.738 0.046 0.000 1.048 1378 Q HN 0.781 nan 8.270 nan 0.000 0.515 1379 G N -0.786 108.043 108.800 0.048 0.000 2.699 1379 G HA2 -0.159 3.801 3.960 -0.001 0.000 0.198 1379 G HA3 -0.159 3.801 3.960 -0.001 0.000 0.198 1379 G C 0.333 175.266 174.900 0.054 0.000 1.033 1379 G CA -0.239 44.890 45.100 0.049 0.000 0.728 1379 G HN 0.531 nan 8.290 nan 0.000 0.484 1380 G N -0.495 108.341 108.800 0.060 0.000 3.259 1380 G HA2 0.644 4.604 3.960 -0.001 0.000 0.178 1380 G HA3 0.644 4.604 3.960 -0.001 0.000 0.178 1380 G C -1.042 173.910 174.900 0.088 0.000 1.129 1380 G CA -0.680 44.462 45.100 0.070 0.000 0.816 1380 G HN 0.649 nan 8.290 nan 0.000 0.634 1381 L N 1.592 122.877 121.223 0.103 0.000 2.287 1381 L HA 0.447 4.786 4.340 -0.001 0.000 0.287 1381 L C -0.416 176.523 176.870 0.115 0.000 1.022 1381 L CA -0.503 54.418 54.840 0.134 0.000 0.814 1381 L CB 1.947 44.133 42.059 0.211 0.000 1.217 1381 L HN 0.392 nan 8.230 nan 0.000 0.420 1382 T N -0.187 114.432 114.554 0.107 0.000 2.770 1382 T HA 0.334 4.683 4.350 -0.001 0.000 0.297 1382 T C 0.233 175.011 174.700 0.129 0.000 0.997 1382 T CA -0.850 61.316 62.100 0.110 0.000 0.949 1382 T CB 1.059 69.989 68.868 0.102 0.000 0.941 1382 T HN 0.599 nan 8.240 nan 0.000 0.457 1383 S N 1.691 117.477 115.700 0.143 0.000 2.579 1383 S HA 0.236 4.705 4.470 -0.001 0.000 0.275 1383 S C 0.830 175.551 174.600 0.201 0.000 1.345 1383 S CA -0.990 57.302 58.200 0.154 0.000 1.031 1383 S CB 0.356 63.649 63.200 0.156 0.000 0.892 1383 S HN 0.872 nan 8.310 nan 0.000 0.529 1384 V N 0.280 120.295 119.914 0.169 0.000 2.054 1384 V HA 0.455 4.574 4.120 -0.001 0.000 0.243 1384 V C -0.052 176.226 176.094 0.307 0.000 1.480 1384 V CA -0.210 62.231 62.300 0.235 0.000 1.440 1384 V CB -1.813 29.983 31.823 -0.046 0.000 1.489 1384 V HN 0.874 nan 8.190 nan 0.000 0.502 1385 T N 2.935 117.667 114.554 0.297 0.000 2.889 1385 T HA 0.379 4.729 4.350 -0.001 0.000 0.315 1385 T C 0.896 175.495 174.700 -0.169 0.000 1.291 1385 T CA -0.464 61.699 62.100 0.105 0.000 1.028 1385 T CB 2.101 71.043 68.868 0.123 0.000 1.235 1385 T HN 0.690 nan 8.240 nan 0.000 0.491 1386 R N 0.878 121.318 120.500 -0.101 0.000 2.371 1386 R HA -0.149 4.190 4.340 -0.001 0.000 0.226 1386 R C 0.709 176.785 176.300 -0.374 0.000 1.132 1386 R CA 1.682 57.650 56.100 -0.221 0.000 1.027 1386 R CB -0.358 29.828 30.300 -0.190 0.000 0.848 1386 R HN 0.619 nan 8.270 nan 0.000 0.479 1387 H N -0.525 118.505 119.070 -0.068 0.000 2.476 1387 H HA 0.202 4.757 4.556 -0.001 0.000 0.292 1387 H C 1.751 177.041 175.328 -0.062 0.000 1.019 1387 H CA 0.848 56.867 56.048 -0.050 0.000 1.330 1387 H CB -0.171 29.588 29.762 -0.004 0.000 1.451 1387 H HN 0.359 nan 8.280 nan 0.000 0.535 1388 G N 1.368 110.202 108.800 0.056 0.000 2.679 1388 G HA2 -0.112 3.847 3.960 -0.001 0.000 0.185 1388 G HA3 -0.112 3.847 3.960 -0.001 0.000 0.185 1388 G C 1.394 176.282 174.900 -0.020 0.000 1.656 1388 G CA 0.550 45.691 45.100 0.067 0.000 0.892 1388 G HN 0.343 nan 8.290 nan 0.000 0.389 1389 F N 1.132 121.057 119.950 -0.042 0.000 2.154 1389 F HA -0.088 4.438 4.527 -0.002 0.000 0.301 1389 F C 1.972 177.726 175.800 -0.077 0.000 1.087 1389 F CA 1.671 59.626 58.000 -0.075 0.000 1.274 1389 F CB -0.709 38.211 39.000 -0.134 0.000 1.009 1389 F HN 0.207 nan 8.300 nan 0.000 0.485 1390 N N 0.944 118.990 118.700 -1.090 0.000 2.459 1390 N HA -0.141 4.598 4.740 -0.001 0.000 0.181 1390 N C 1.710 177.063 175.510 -0.263 0.000 1.046 1390 N CA 0.984 53.606 53.050 -0.714 0.000 0.904 1390 N CB -0.254 37.778 38.487 -0.758 0.000 0.964 1390 N HN 0.542 nan 8.380 nan 0.000 0.444 1391 R N -0.342 120.045 120.500 -0.188 0.000 2.193 1391 R HA 0.171 4.510 4.340 -0.001 0.000 0.213 1391 R C 0.978 177.256 176.300 -0.036 0.000 1.055 1391 R CA 0.294 56.348 56.100 -0.076 0.000 0.995 1391 R CB -0.834 29.447 30.300 -0.031 0.000 0.893 1391 R HN -0.014 nan 8.270 nan 0.000 0.459 1392 S N 1.181 116.868 115.700 -0.022 0.000 2.553 1392 S HA -0.131 4.338 4.470 -0.001 0.000 0.271 1392 S C 0.470 175.077 174.600 0.010 0.000 1.362 1392 S CA 0.130 58.337 58.200 0.012 0.000 1.010 1392 S CB 0.001 63.226 63.200 0.042 0.000 0.865 1392 S HN 0.745 nan 8.310 nan 0.000 0.543 1393 N N 1.399 120.110 118.700 0.018 0.000 2.575 1393 N HA 0.120 4.859 4.740 -0.001 0.000 0.275 1393 N C -0.054 175.472 175.510 0.026 0.000 1.202 1393 N CA -0.618 52.443 53.050 0.018 0.000 0.945 1393 N CB -0.094 38.403 38.487 0.017 0.000 1.247 1393 N HN 0.444 nan 8.380 nan 0.000 0.510 1394 T N -0.794 113.779 114.554 0.030 0.000 2.616 1394 T HA 0.134 4.483 4.350 -0.001 0.000 0.327 1394 T C 1.233 175.958 174.700 0.042 0.000 1.049 1394 T CA -0.235 61.887 62.100 0.037 0.000 1.022 1394 T CB 0.295 69.191 68.868 0.046 0.000 1.009 1394 T HN 0.351 nan 8.240 nan 0.000 0.535 1395 G N -0.713 108.116 108.800 0.049 0.000 2.414 1395 G HA2 0.364 4.323 3.960 -0.001 0.000 0.236 1395 G HA3 0.364 4.323 3.960 -0.001 0.000 0.236 1395 G C 1.125 176.073 174.900 0.081 0.000 1.293 1395 G CA -0.276 44.864 45.100 0.067 0.000 0.869 1395 G HN 0.940 nan 8.290 nan 0.000 0.556 1396 A N 2.400 125.295 122.820 0.125 0.000 1.902 1396 A HA -0.060 4.259 4.320 -0.001 0.000 0.217 1396 A C 2.425 180.061 177.584 0.086 0.000 1.181 1396 A CA 1.242 53.336 52.037 0.095 0.000 0.623 1396 A CB -0.402 18.665 19.000 0.112 0.000 0.818 1396 A HN 0.626 nan 8.150 nan 0.000 0.443 1397 L N -0.896 120.429 121.223 0.170 0.000 2.127 1397 L HA -0.219 4.120 4.340 -0.001 0.000 0.211 1397 L C 2.798 179.714 176.870 0.077 0.000 1.089 1397 L CA 1.887 56.806 54.840 0.132 0.000 0.757 1397 L CB -0.341 41.808 42.059 0.150 0.000 0.899 1397 L HN 0.773 nan 8.230 nan 0.000 0.434 1398 M N -2.134 117.510 119.600 0.074 0.000 2.476 1398 M HA -0.003 4.476 4.480 -0.001 0.000 0.262 1398 M C 1.913 178.265 176.300 0.086 0.000 1.111 1398 M CA 1.207 56.548 55.300 0.070 0.000 1.127 1398 M CB -0.010 32.625 32.600 0.058 0.000 1.376 1398 M HN -0.125 nan 8.290 nan 0.000 0.465 1399 R N 0.319 120.860 120.500 0.069 0.000 2.246 1399 R HA 0.085 4.424 4.340 -0.001 0.000 0.199 1399 R C 2.390 178.732 176.300 0.070 0.000 0.984 1399 R CA 0.997 57.140 56.100 0.071 0.000 1.015 1399 R CB -0.261 30.052 30.300 0.021 0.000 0.930 1399 R HN 0.758 nan 8.270 nan 0.000 0.475 1400 C N -0.281 119.037 119.300 0.030 0.000 2.485 1400 C HA 0.103 4.562 4.460 -0.001 0.000 0.277 1400 C C 2.561 177.558 174.990 0.012 0.000 1.376 1400 C CA 0.224 59.232 59.018 -0.017 0.000 1.759 1400 C CB -0.562 27.135 27.740 -0.072 0.000 1.970 1400 C HN 0.363 nan 8.230 nan 0.000 0.509 1401 S N -0.063 115.673 115.700 0.060 0.000 2.555 1401 S HA -0.021 4.448 4.470 -0.001 0.000 0.230 1401 S C 1.159 175.844 174.600 0.141 0.000 0.978 1401 S CA 0.766 59.008 58.200 0.071 0.000 0.934 1401 S CB -0.785 62.461 63.200 0.076 0.000 0.766 1401 S HN 0.723 nan 8.310 nan 0.000 0.533 1402 F N 1.773 121.729 119.950 0.009 0.000 2.231 1402 F HA 0.508 5.034 4.527 -0.001 0.000 0.267 1402 F C 0.880 176.684 175.800 0.007 0.000 1.108 1402 F CA 0.182 58.204 58.000 0.037 0.000 1.098 1402 F CB -0.179 38.866 39.000 0.075 0.000 1.088 1402 F HN 0.162 nan 8.300 nan 0.000 0.541 1403 E N -0.716 119.257 120.200 -0.378 0.000 2.431 1403 E HA 0.247 4.596 4.350 -0.001 0.000 0.268 1403 E C -1.018 175.457 176.600 -0.209 0.000 0.953 1403 E CA -0.699 55.417 56.400 -0.473 0.000 0.810 1403 E CB 1.775 31.041 29.700 -0.723 0.000 1.369 1403 E HN 0.191 nan 8.360 nan 0.000 0.440 1404 E N 0.053 120.134 120.200 -0.199 0.000 2.238 1404 E HA -0.264 4.085 4.350 -0.001 0.000 0.219 1404 E C 0.374 176.881 176.600 -0.155 0.000 1.275 1404 E CA 0.505 56.814 56.400 -0.151 0.000 0.714 1404 E CB -1.224 28.402 29.700 -0.123 0.000 1.154 1404 E HN 0.524 nan 8.360 nan 0.000 0.363 1405 T N -1.519 112.938 114.554 -0.163 0.000 2.635 1405 T HA -0.226 4.123 4.350 -0.001 0.000 0.267 1405 T C 1.783 176.344 174.700 -0.231 0.000 1.040 1405 T CA 1.591 63.592 62.100 -0.165 0.000 1.156 1405 T CB -0.025 68.754 68.868 -0.148 0.000 0.863 1405 T HN 0.201 nan 8.240 nan 0.000 0.430 1406 V N 2.394 122.135 119.914 -0.287 0.000 2.346 1406 V HA -0.081 4.038 4.120 -0.001 0.000 0.244 1406 V C 2.799 178.530 176.094 -0.605 0.000 1.037 1406 V CA 1.521 63.528 62.300 -0.488 0.000 1.029 1406 V CB -0.597 30.928 31.823 -0.497 0.000 0.663 1406 V HN 0.596 nan 8.190 nan 0.000 0.454 1407 E N 0.329 120.329 120.200 -0.333 0.000 2.268 1407 E HA -0.176 4.173 4.350 -0.001 0.000 0.195 1407 E C 2.041 178.553 176.600 -0.147 0.000 0.995 1407 E CA 1.095 57.401 56.400 -0.157 0.000 0.836 1407 E CB -0.359 29.313 29.700 -0.047 0.000 0.763 1407 E HN 0.435 nan 8.360 nan 0.000 0.491 1408 I N 0.867 121.326 120.570 -0.186 0.000 2.676 1408 I HA -0.066 4.103 4.170 -0.001 0.000 0.259 1408 I C 2.249 178.233 176.117 -0.222 0.000 1.194 1408 I CA 0.649 61.853 61.300 -0.160 0.000 1.473 1408 I CB -0.511 37.410 38.000 -0.131 0.000 1.096 1408 I HN 0.115 nan 8.210 nan 0.000 0.443 1409 L N -1.792 119.241 121.223 -0.317 0.000 2.463 1409 L HA 0.034 4.373 4.340 -0.001 0.000 0.219 1409 L C 2.318 179.000 176.870 -0.314 0.000 1.088 1409 L CA 0.340 54.924 54.840 -0.426 0.000 0.849 1409 L CB -0.234 41.550 42.059 -0.460 0.000 1.012 1409 L HN 0.030 nan 8.230 nan 0.000 0.468 1410 F N 1.262 121.066 119.950 -0.243 0.000 2.060 1410 F HA -0.214 4.312 4.527 -0.002 0.000 0.295 1410 F C 2.595 178.314 175.800 -0.134 0.000 1.120 1410 F CA 1.114 58.970 58.000 -0.240 0.000 1.205 1410 F CB -0.101 38.659 39.000 -0.400 0.000 0.986 1410 F HN 0.172 nan 8.300 nan 0.000 0.470 1411 E N 0.993 121.228 120.200 0.058 0.000 2.463 1411 E HA -0.150 4.199 4.350 -0.001 0.000 0.201 1411 E C 1.800 178.355 176.600 -0.074 0.000 1.045 1411 E CA 0.842 57.231 56.400 -0.018 0.000 0.872 1411 E CB -0.307 29.344 29.700 -0.082 0.000 0.797 1411 E HN 0.408 nan 8.360 nan 0.000 0.538 1412 A N 1.605 124.353 122.820 -0.120 0.000 1.975 1412 A HA 0.144 4.464 4.320 -0.001 0.000 0.215 1412 A C 2.401 179.931 177.584 -0.089 0.000 1.170 1412 A CA 0.931 52.862 52.037 -0.176 0.000 0.656 1412 A CB -0.565 18.157 19.000 -0.463 0.000 0.821 1412 A HN 0.387 nan 8.150 nan 0.000 0.449 1413 G N -0.830 107.934 108.800 -0.061 0.000 2.464 1413 G HA2 0.191 4.150 3.960 -0.001 0.000 0.217 1413 G HA3 0.191 4.150 3.960 -0.001 0.000 0.217 1413 G C 1.487 176.429 174.900 0.070 0.000 1.138 1413 G CA 1.028 46.171 45.100 0.071 0.000 0.793 1413 G HN 0.673 nan 8.290 nan 0.000 0.539 1414 A N 0.432 123.270 122.820 0.029 0.000 2.021 1414 A HA 0.269 4.588 4.320 -0.001 0.000 0.216 1414 A C 2.248 179.572 177.584 -0.433 0.000 1.163 1414 A CA 1.584 53.523 52.037 -0.163 0.000 0.676 1414 A CB 0.059 19.006 19.000 -0.087 0.000 0.818 1414 A HN 0.216 nan 8.150 nan 0.000 0.453 1415 S N -0.763 114.769 115.700 -0.279 0.000 2.557 1415 S HA 0.449 4.918 4.470 -0.001 0.000 0.223 1415 S C 0.984 175.525 174.600 -0.099 0.000 0.969 1415 S CA 0.412 58.439 58.200 -0.288 0.000 0.927 1415 S CB 0.175 63.250 63.200 -0.208 0.000 0.806 1415 S HN 1.509 nan 8.310 nan 0.000 0.489 1416 A N 1.966 124.782 122.820 -0.007 0.000 2.665 1416 A HA -0.239 4.080 4.320 -0.001 0.000 0.301 1416 A C 0.287 177.957 177.584 0.143 0.000 1.509 1416 A CA 0.674 52.787 52.037 0.127 0.000 0.789 1416 A CB -1.931 17.214 19.000 0.241 0.000 1.024 1416 A HN 0.638 nan 8.150 nan 0.000 0.460 1417 E N -1.606 118.674 120.200 0.134 0.000 2.534 1417 E HA 0.165 4.514 4.350 -0.001 0.000 0.264 1417 E C 0.063 176.744 176.600 0.135 0.000 0.981 1417 E CA 0.228 56.712 56.400 0.140 0.000 0.948 1417 E CB 0.384 30.186 29.700 0.170 0.000 0.934 1417 E HN 0.634 nan 8.360 nan 0.000 0.459 1418 L N 2.783 124.057 121.223 0.084 0.000 2.282 1418 L HA 0.232 4.571 4.340 -0.001 0.000 0.288 1418 L C -0.682 176.200 176.870 0.021 0.000 1.033 1418 L CA -0.097 54.762 54.840 0.032 0.000 0.807 1418 L CB 1.396 43.481 42.059 0.044 0.000 1.209 1418 L HN 0.393 nan 8.230 nan 0.000 0.423 1419 D N 2.376 122.749 120.400 -0.044 0.000 2.274 1419 D HA 0.141 4.780 4.640 -0.001 0.000 0.239 1419 D C 0.492 176.775 176.300 -0.028 0.000 1.104 1419 D CA -0.187 53.800 54.000 -0.023 0.000 0.840 1419 D CB 1.285 42.050 40.800 -0.058 0.000 1.100 1419 D HN 0.631 nan 8.370 nan 0.000 0.477 1420 D N 2.070 122.472 120.400 0.002 0.000 2.144 1420 D HA -0.133 4.507 4.640 -0.001 0.000 0.199 1420 D C 0.443 176.741 176.300 -0.003 0.000 0.984 1420 D CA 0.532 54.534 54.000 0.004 0.000 0.834 1420 D CB -0.018 40.793 40.800 0.017 0.000 0.955 1420 D HN 0.600 nan 8.370 nan 0.000 0.465 1421 C N 0.070 119.368 119.300 -0.004 0.000 4.209 1421 C HA -0.158 4.301 4.460 -0.001 0.000 0.305 1421 C C 1.291 176.282 174.990 0.002 0.000 1.339 1421 C CA 0.175 59.189 59.018 -0.007 0.000 2.062 1421 C CB -2.244 25.483 27.740 -0.022 0.000 1.307 1421 C HN 0.443 nan 8.230 nan 0.000 0.706 1422 R N -0.376 120.131 120.500 0.010 0.000 2.517 1422 R HA 0.198 4.537 4.340 -0.001 0.000 0.265 1422 R C 1.154 177.462 176.300 0.013 0.000 0.921 1422 R CA 0.505 56.614 56.100 0.016 0.000 1.054 1422 R CB 0.362 30.680 30.300 0.030 0.000 1.340 1422 R HN 0.540 nan 8.270 nan 0.000 0.551 1423 G N 1.031 109.839 108.800 0.014 0.000 2.441 1423 G HA2 0.241 4.200 3.960 -0.001 0.000 0.243 1423 G HA3 0.241 4.200 3.960 -0.001 0.000 0.243 1423 G C 1.244 176.145 174.900 0.001 0.000 1.281 1423 G CA -0.470 44.637 45.100 0.012 0.000 0.854 1423 G HN -0.129 nan 8.290 nan 0.000 0.560 1424 V N 2.566 122.475 119.914 -0.009 0.000 2.220 1424 V HA -0.285 3.834 4.120 -0.001 0.000 0.250 1424 V C 3.068 179.158 176.094 -0.007 0.000 1.056 1424 V CA 2.733 65.023 62.300 -0.018 0.000 1.016 1424 V CB -1.134 30.673 31.823 -0.026 0.000 0.639 1424 V HN 0.842 nan 8.190 nan 0.000 0.446 1425 S N 0.338 116.041 115.700 0.004 0.000 2.440 1425 S HA -0.229 4.240 4.470 -0.001 0.000 0.238 1425 S C 1.672 176.282 174.600 0.016 0.000 1.010 1425 S CA 1.643 59.851 58.200 0.014 0.000 0.972 1425 S CB -0.553 62.665 63.200 0.030 0.000 0.774 1425 S HN 0.816 nan 8.310 nan 0.000 0.501 1426 E N 1.911 122.121 120.200 0.016 0.000 2.076 1426 E HA -0.022 4.327 4.350 -0.001 0.000 0.190 1426 E C 1.581 178.184 176.600 0.004 0.000 0.979 1426 E CA 0.650 57.060 56.400 0.017 0.000 0.807 1426 E CB -0.347 29.364 29.700 0.018 0.000 0.761 1426 E HN 0.512 nan 8.360 nan 0.000 0.454 1427 N N 1.221 119.919 118.700 -0.004 0.000 2.244 1427 N HA -0.096 4.643 4.740 -0.001 0.000 0.183 1427 N C 2.103 177.608 175.510 -0.009 0.000 1.016 1427 N CA 0.747 53.791 53.050 -0.010 0.000 0.866 1427 N CB -0.052 38.424 38.487 -0.018 0.000 0.980 1427 N HN 0.004 nan 8.380 nan 0.000 0.430 1428 V N 2.323 122.232 119.914 -0.007 0.000 2.255 1428 V HA -0.199 3.920 4.120 -0.001 0.000 0.247 1428 V C 2.342 178.435 176.094 -0.001 0.000 1.051 1428 V CA 1.319 63.615 62.300 -0.006 0.000 1.018 1428 V CB -0.394 31.426 31.823 -0.005 0.000 0.641 1428 V HN 0.223 nan 8.190 nan 0.000 0.445 1429 I N -0.559 120.015 120.570 0.006 0.000 2.335 1429 I HA -0.246 3.924 4.170 -0.001 0.000 0.251 1429 I C 2.019 178.140 176.117 0.007 0.000 1.129 1429 I CA 1.570 62.876 61.300 0.010 0.000 1.402 1429 I CB -0.220 37.792 38.000 0.020 0.000 1.069 1429 I HN 0.270 nan 8.210 nan 0.000 0.424 1430 L N 0.527 121.751 121.223 0.002 0.000 2.591 1430 L HA 0.158 4.497 4.340 -0.001 0.000 0.228 1430 L C 1.397 178.265 176.870 -0.003 0.000 1.133 1430 L CA 0.245 55.084 54.840 -0.002 0.000 0.880 1430 L CB -0.404 41.649 42.059 -0.009 0.000 1.033 1430 L HN 0.462 nan 8.230 nan 0.000 0.450 1431 G N 0.732 109.530 108.800 -0.003 0.000 2.283 1431 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.280 1431 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.280 1431 G C 0.117 175.013 174.900 -0.007 0.000 1.029 1431 G CA 0.371 45.469 45.100 -0.003 0.000 0.840 1431 G HN 0.439 nan 8.290 nan 0.000 0.505 1432 Q N -1.418 118.375 119.800 -0.011 0.000 2.286 1432 Q HA 0.696 5.035 4.340 -0.001 0.000 0.250 1432 Q C 0.653 176.639 176.000 -0.024 0.000 1.021 1432 Q CA -0.971 54.822 55.803 -0.016 0.000 0.930 1432 Q CB 0.946 29.675 28.738 -0.016 0.000 1.266 1432 Q HN 0.323 nan 8.270 nan 0.000 0.491 1433 M N 1.677 121.258 119.600 -0.031 0.000 2.108 1433 M HA 0.332 4.811 4.480 -0.001 0.000 0.347 1433 M C -0.785 175.482 176.300 -0.055 0.000 1.326 1433 M CA -0.419 54.854 55.300 -0.046 0.000 1.126 1433 M CB 0.457 33.024 32.600 -0.056 0.000 1.606 1433 M HN 0.779 nan 8.290 nan 0.000 0.462 1434 A N 7.110 129.896 122.820 -0.055 0.000 2.561 1434 A HA 0.246 4.565 4.320 -0.001 0.000 0.234 1434 A C -2.248 175.287 177.584 -0.081 0.000 1.055 1434 A CA -0.844 51.158 52.037 -0.058 0.000 0.756 1434 A CB -0.714 18.253 19.000 -0.056 0.000 0.986 1434 A HN 0.599 nan 8.150 nan 0.000 0.505 1435 P HA 0.308 nan 4.420 nan 0.000 0.235 1435 P C -1.028 176.198 177.300 -0.122 0.000 1.765 1435 P CA 0.429 63.475 63.100 -0.090 0.000 1.034 1435 P CB -0.391 31.280 31.700 -0.049 0.000 1.984 1436 I N 0.239 120.724 120.570 -0.143 0.000 2.533 1436 I HA 0.409 4.578 4.170 -0.001 0.000 0.290 1436 I C 1.465 177.488 176.117 -0.157 0.000 1.056 1436 I CA -0.099 61.116 61.300 -0.140 0.000 1.057 1436 I CB 1.448 39.384 38.000 -0.107 0.000 1.240 1436 I HN 0.339 nan 8.210 nan 0.000 0.423 1437 G N 4.035 112.751 108.800 -0.140 0.000 2.985 1437 G HA2 -0.444 3.515 3.960 -0.001 0.000 0.362 1437 G HA3 -0.444 3.515 3.960 -0.001 0.000 0.362 1437 G C 1.262 176.092 174.900 -0.115 0.000 1.381 1437 G CA 1.719 46.760 45.100 -0.098 0.000 1.360 1437 G HN 0.530 nan 8.290 nan 0.000 0.810 1438 T N 1.176 115.646 114.554 -0.139 0.000 2.788 1438 T HA 0.121 4.470 4.350 -0.001 0.000 0.268 1438 T C 2.053 176.437 174.700 -0.526 0.000 1.044 1438 T CA 2.127 64.101 62.100 -0.211 0.000 1.139 1438 T CB -0.451 68.347 68.868 -0.116 0.000 0.867 1438 T HN 0.993 nan 8.240 nan 0.000 0.454 1439 G N -0.274 108.283 108.800 -0.404 0.000 3.434 1439 G HA2 0.444 4.403 3.960 -0.001 0.000 0.258 1439 G HA3 0.444 4.403 3.960 -0.001 0.000 0.258 1439 G C 1.196 175.864 174.900 -0.387 0.000 1.128 1439 G CA 0.443 45.297 45.100 -0.410 0.000 0.792 1439 G HN 0.466 nan 8.290 nan 0.000 0.539 1440 A N 0.133 122.688 122.820 -0.441 0.000 2.167 1440 A HA 0.500 4.819 4.320 -0.001 0.000 0.214 1440 A C 0.719 178.335 177.584 0.053 0.000 1.151 1440 A CA 0.535 52.472 52.037 -0.167 0.000 0.735 1440 A CB -0.363 18.580 19.000 -0.095 0.000 0.802 1440 A HN 0.577 nan 8.150 nan 0.000 0.467 1441 F N -3.414 116.601 119.950 0.108 0.000 3.084 1441 F HA 0.810 5.337 4.527 -0.001 0.000 0.336 1441 F C -1.216 174.618 175.800 0.057 0.000 1.230 1441 F CA -1.943 56.127 58.000 0.117 0.000 0.993 1441 F CB 0.424 39.517 39.000 0.154 0.000 1.496 1441 F HN -0.223 nan 8.300 nan 0.000 0.522 1442 D N 0.223 120.924 120.400 0.501 0.000 2.671 1442 D HA 0.601 5.240 4.640 -0.001 0.000 0.232 1442 D C -1.295 175.185 176.300 0.301 0.000 1.114 1442 D CA -0.194 53.975 54.000 0.281 0.000 0.858 1442 D CB 3.001 43.886 40.800 0.141 0.000 1.544 1442 D HN 0.431 nan 8.370 nan 0.000 0.471 1443 V N 2.054 122.089 119.914 0.202 0.000 2.581 1443 V HA 0.673 4.792 4.120 -0.001 0.000 0.303 1443 V C 0.180 176.320 176.094 0.077 0.000 1.041 1443 V CA -0.482 61.902 62.300 0.140 0.000 0.907 1443 V CB 1.656 33.566 31.823 0.145 0.000 0.994 1443 V HN 0.495 nan 8.190 nan 0.000 0.442 1444 M N 3.682 123.312 119.600 0.049 0.000 2.578 1444 M HA 0.530 5.010 4.480 -0.001 0.000 0.276 1444 M C -0.730 175.582 176.300 0.019 0.000 1.245 1444 M CA -0.617 54.702 55.300 0.032 0.000 0.871 1444 M CB 2.603 35.219 32.600 0.026 0.000 1.722 1444 M HN 0.736 nan 8.290 nan 0.000 0.473 1445 I N 0.000 120.580 120.570 0.017 0.000 2.984 1445 I HA 0.000 4.169 4.170 -0.001 0.000 0.288 1445 I CA 0.000 61.307 61.300 0.011 0.000 1.566 1445 I CB 0.000 38.007 38.000 0.012 0.000 1.214 1445 I HN 0.000 nan 8.210 nan 0.000 0.494