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 2nvt_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 VMIDEESLV 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 0.000 174.898 174.900 -0.003 0.000 0.946 3 G CA 0.000 45.094 45.100 -0.009 0.000 0.502 4 Q N 1.461 121.265 119.800 0.005 0.000 2.301 4 Q HA 0.548 4.887 4.340 -0.001 0.000 0.267 4 Q C -0.336 175.680 176.000 0.027 0.000 1.035 4 Q CA -1.013 54.795 55.803 0.009 0.000 0.856 4 Q CB 2.118 30.857 28.738 0.001 0.000 1.337 4 Q HN 0.453 nan 8.270 nan 0.000 0.450 5 Q N 1.096 120.912 119.800 0.027 0.000 2.386 5 Q HA -0.056 4.284 4.340 -0.001 0.000 0.282 5 Q C -0.932 175.111 176.000 0.072 0.000 1.050 5 Q CA 0.201 56.036 55.803 0.053 0.000 0.918 5 Q CB 0.344 29.104 28.738 0.038 0.000 1.266 5 Q HN 0.639 nan 8.270 nan 0.000 0.423 6 Y N 1.552 121.851 120.300 -0.002 0.000 2.620 6 Y HA 0.019 4.568 4.550 -0.001 0.000 0.330 6 Y C -0.369 175.534 175.900 0.004 0.000 1.186 6 Y CA 0.316 58.417 58.100 0.001 0.000 1.467 6 Y CB 0.767 39.228 38.460 0.002 0.000 1.262 6 Y HN 0.404 nan 8.280 nan 0.000 0.550 7 S N 3.478 118.775 115.700 -0.672 0.000 2.472 7 S HA 0.273 4.742 4.470 -0.001 0.000 0.303 7 S C 0.332 174.351 174.600 -0.968 0.000 1.099 7 S CA -0.296 57.485 58.200 -0.698 0.000 1.077 7 S CB 0.800 63.830 63.200 -0.282 0.000 1.031 7 S HN 0.873 nan 8.310 nan 0.000 0.487 8 S N 3.549 118.814 115.700 -0.725 0.000 2.710 8 S HA 0.385 4.854 4.470 -0.001 0.000 0.224 8 S C 0.619 175.140 174.600 -0.130 0.000 0.948 8 S CA -0.197 57.818 58.200 -0.310 0.000 0.949 8 S CB -0.426 62.714 63.200 -0.099 0.000 0.778 8 S HN 0.914 nan 8.310 nan 0.000 0.498 9 A N 2.635 125.367 122.820 -0.146 0.000 2.440 9 A HA 0.580 4.899 4.320 -0.001 0.000 0.251 9 A C -2.098 175.466 177.584 -0.033 0.000 1.089 9 A CA -1.266 50.730 52.037 -0.068 0.000 0.779 9 A CB -0.506 18.456 19.000 -0.064 0.000 1.022 9 A HN 0.406 nan 8.150 nan 0.000 0.492 10 P HA 0.313 nan 4.420 nan 0.000 0.269 10 P C -0.836 176.469 177.300 0.009 0.000 1.209 10 P CA -0.147 62.960 63.100 0.011 0.000 0.776 10 P CB 0.442 32.151 31.700 0.014 0.000 0.876 11 L N 3.485 124.719 121.223 0.019 0.000 2.325 11 L HA 0.640 4.979 4.340 -0.001 0.000 0.281 11 L C -0.382 176.498 176.870 0.018 0.000 1.004 11 L CA -0.294 54.556 54.840 0.017 0.000 0.823 11 L CB 1.270 43.343 42.059 0.023 0.000 1.236 11 L HN 0.230 nan 8.230 nan 0.000 0.415 12 R N 1.200 121.708 120.500 0.013 0.000 2.922 12 R HA 0.825 5.164 4.340 -0.001 0.000 0.256 12 R C -0.213 176.093 176.300 0.010 0.000 1.138 12 R CA -0.116 55.992 56.100 0.013 0.000 0.995 12 R CB 1.696 32.004 30.300 0.013 0.000 1.226 12 R HN 0.810 nan 8.270 nan 0.000 0.481 13 T N -2.425 112.134 114.554 0.010 0.000 2.888 13 T HA 0.539 4.888 4.350 -0.001 0.000 0.283 13 T C 0.045 174.747 174.700 0.003 0.000 1.013 13 T CA -0.737 61.367 62.100 0.007 0.000 0.938 13 T CB 0.727 69.599 68.868 0.007 0.000 1.298 13 T HN 0.107 nan 8.240 nan 0.000 0.580 14 V N 1.381 121.295 119.914 0.000 0.000 2.743 14 V HA 0.433 4.553 4.120 -0.001 0.000 0.301 14 V C 0.504 176.598 176.094 -0.000 0.000 1.057 14 V CA -0.389 61.908 62.300 -0.005 0.000 1.006 14 V CB 1.583 33.400 31.823 -0.011 0.000 1.024 14 V HN 0.855 nan 8.190 nan 0.000 0.473 15 K N 1.480 121.880 120.400 -0.001 0.000 2.567 15 K HA 0.381 4.700 4.320 -0.001 0.000 0.199 15 K C 0.045 176.650 176.600 0.008 0.000 1.412 15 K CA 0.323 56.614 56.287 0.007 0.000 1.020 15 K CB 0.716 33.222 32.500 0.012 0.000 1.487 15 K HN 0.734 nan 8.250 nan 0.000 0.531 16 E N 0.345 120.544 120.200 -0.001 0.000 2.367 16 E HA 0.451 4.800 4.350 -0.001 0.000 0.273 16 E C -1.275 175.299 176.600 -0.042 0.000 0.903 16 E CA -0.855 55.544 56.400 -0.002 0.000 0.764 16 E CB 3.140 32.850 29.700 0.017 0.000 1.252 16 E HN -0.281 nan 8.360 nan 0.000 0.446 17 V N 2.253 122.124 119.914 -0.073 0.000 2.376 17 V HA 0.203 4.322 4.120 -0.001 0.000 0.287 17 V C -0.406 175.541 176.094 -0.244 0.000 1.015 17 V CA -0.902 61.269 62.300 -0.215 0.000 0.834 17 V CB 1.385 32.999 31.823 -0.347 0.000 1.001 17 V HN 0.594 nan 8.190 nan 0.000 0.428 18 Q N 4.019 123.702 119.800 -0.196 0.000 2.566 18 Q HA 0.392 4.732 4.340 -0.001 0.000 0.221 18 Q C -0.482 175.454 176.000 -0.107 0.000 1.195 18 Q CA -0.164 55.623 55.803 -0.026 0.000 0.967 18 Q CB 0.479 29.319 28.738 0.169 0.000 1.337 18 Q HN 0.650 nan 8.270 nan 0.000 0.553 19 F N 0.173 120.161 119.950 0.063 0.000 2.553 19 F HA 0.338 4.865 4.527 -0.001 0.000 0.356 19 F C 1.476 177.307 175.800 0.052 0.000 1.142 19 F CA 0.938 58.957 58.000 0.033 0.000 1.322 19 F CB 0.852 39.885 39.000 0.054 0.000 1.126 19 F HN 0.468 nan 8.300 nan 0.000 0.599 20 G N 1.851 110.776 108.800 0.208 0.000 2.490 20 G HA2 0.566 4.526 3.960 -0.001 0.000 0.308 20 G HA3 0.566 4.526 3.960 -0.001 0.000 0.308 20 G C -1.869 173.062 174.900 0.052 0.000 1.286 20 G CA -0.957 44.208 45.100 0.107 0.000 0.825 20 G HN 0.527 nan 8.290 nan 0.000 0.479 21 L N -0.909 120.324 121.223 0.017 0.000 2.257 21 L HA 0.664 5.003 4.340 -0.001 0.000 0.257 21 L C -1.023 175.674 176.870 -0.289 0.000 1.033 21 L CA -0.955 53.886 54.840 0.002 0.000 0.835 21 L CB 2.253 44.421 42.059 0.182 0.000 1.398 21 L HN 0.445 nan 8.230 nan 0.000 0.429 22 F N 0.199 120.012 119.950 -0.228 0.000 2.410 22 F HA 0.227 4.754 4.527 -0.001 0.000 0.349 22 F C 0.723 176.000 175.800 -0.872 0.000 1.117 22 F CA -0.184 57.557 58.000 -0.431 0.000 1.104 22 F CB 1.865 40.720 39.000 -0.241 0.000 1.122 22 F HN 0.292 nan 8.300 nan 0.000 0.483 23 S N 6.021 121.220 115.700 -0.834 0.000 2.455 23 S HA 0.178 4.647 4.470 -0.001 0.000 0.278 23 S C -1.689 172.718 174.600 -0.321 0.000 1.216 23 S CA -1.288 56.340 58.200 -0.953 0.000 1.055 23 S CB 0.793 63.648 63.200 -0.575 0.000 0.939 23 S HN 0.367 nan 8.310 nan 0.000 0.494 24 P HA -0.114 nan 4.420 nan 0.000 0.220 24 P C 0.616 177.907 177.300 -0.015 0.000 1.144 24 P CA 1.227 64.298 63.100 -0.048 0.000 0.800 24 P CB 0.110 31.834 31.700 0.041 0.000 0.772 25 E N -1.100 119.103 120.200 0.005 0.000 2.299 25 E HA -0.110 4.239 4.350 -0.001 0.000 0.193 25 E C 1.944 178.538 176.600 -0.010 0.000 0.998 25 E CA 0.396 56.812 56.400 0.027 0.000 0.851 25 E CB -0.108 29.645 29.700 0.088 0.000 0.795 25 E HN 0.399 nan 8.360 nan 0.000 0.492 26 E N 0.663 120.838 120.200 -0.041 0.000 2.014 26 E HA -0.129 4.220 4.350 -0.001 0.000 0.190 26 E C 2.132 178.707 176.600 -0.043 0.000 0.980 26 E CA 0.845 57.227 56.400 -0.030 0.000 0.807 26 E CB 0.156 29.838 29.700 -0.030 0.000 0.770 26 E HN -0.010 nan 8.360 nan 0.000 0.451 27 V N 1.943 121.822 119.914 -0.059 0.000 2.257 27 V HA -0.378 3.741 4.120 -0.001 0.000 0.257 27 V C 2.617 178.616 176.094 -0.158 0.000 1.077 27 V CA 2.462 64.662 62.300 -0.167 0.000 1.063 27 V CB -0.719 30.962 31.823 -0.237 0.000 0.664 27 V HN 0.321 nan 8.190 nan 0.000 0.450 28 R N -0.668 119.744 120.500 -0.147 0.000 2.092 28 R HA -0.074 4.265 4.340 -0.001 0.000 0.231 28 R C 2.281 178.417 176.300 -0.273 0.000 1.119 28 R CA 1.447 57.387 56.100 -0.267 0.000 0.970 28 R CB -0.373 29.858 30.300 -0.115 0.000 0.864 28 R HN 0.589 nan 8.270 nan 0.000 0.440 29 A N 0.080 122.816 122.820 -0.140 0.000 2.021 29 A HA -0.016 4.304 4.320 -0.001 0.000 0.216 29 A C 1.912 179.445 177.584 -0.085 0.000 1.163 29 A CA 0.502 52.480 52.037 -0.098 0.000 0.676 29 A CB -0.037 18.934 19.000 -0.047 0.000 0.818 29 A HN 0.234 nan 8.150 nan 0.000 0.453 30 I N 0.109 120.631 120.570 -0.080 0.000 2.852 30 I HA -0.045 4.124 4.170 -0.001 0.000 0.264 30 I C 1.657 177.769 176.117 -0.007 0.000 1.179 30 I CA 0.805 62.086 61.300 -0.033 0.000 1.480 30 I CB 0.087 38.080 38.000 -0.012 0.000 1.111 30 I HN 0.419 nan 8.210 nan 0.000 0.441 31 S N -0.342 115.335 115.700 -0.040 0.000 2.641 31 S HA 0.168 4.637 4.470 -0.001 0.000 0.261 31 S C 0.667 175.277 174.600 0.015 0.000 1.257 31 S CA 0.038 58.263 58.200 0.041 0.000 0.983 31 S CB 1.502 64.746 63.200 0.074 0.000 0.990 31 S HN 0.130 nan 8.310 nan 0.000 0.572 32 V N -2.564 117.389 119.914 0.065 0.000 3.252 32 V HA 0.642 4.762 4.120 -0.001 0.000 0.320 32 V C 0.640 176.777 176.094 0.071 0.000 1.459 32 V CA -0.123 62.196 62.300 0.031 0.000 1.095 32 V CB -1.026 30.788 31.823 -0.016 0.000 0.997 32 V HN 0.998 nan 8.190 nan 0.000 0.469 33 A N 0.841 123.751 122.820 0.150 0.000 2.247 33 A HA 0.788 5.107 4.320 -0.001 0.000 0.313 33 A C 0.862 178.579 177.584 0.221 0.000 1.109 33 A CA -0.188 51.948 52.037 0.165 0.000 0.890 33 A CB 1.465 20.560 19.000 0.158 0.000 1.239 33 A HN 0.299 nan 8.150 nan 0.000 0.506 34 K N -1.040 119.418 120.400 0.096 0.000 2.344 34 K HA 0.410 4.729 4.320 -0.001 0.000 0.229 34 K C -0.836 175.686 176.600 -0.130 0.000 1.112 34 K CA 0.118 56.420 56.287 0.025 0.000 0.850 34 K CB 0.156 32.683 32.500 0.045 0.000 1.311 34 K HN 0.466 nan 8.250 nan 0.000 0.448 35 I N 2.251 122.798 120.570 -0.038 0.000 6.958 35 I HA -0.209 3.960 4.170 -0.001 0.000 0.126 35 I C -0.108 175.997 176.117 -0.019 0.000 1.833 35 I CA 0.588 61.867 61.300 -0.034 0.000 2.037 35 I CB -1.349 36.598 38.000 -0.089 0.000 3.572 35 I HN 0.550 nan 8.210 nan 0.000 0.169 36 R N 2.115 122.670 120.500 0.091 0.000 2.612 36 R HA 0.311 4.651 4.340 -0.001 0.000 0.260 36 R C -0.144 176.173 176.300 0.028 0.000 0.943 36 R CA 0.059 56.198 56.100 0.065 0.000 1.036 36 R CB 0.687 31.051 30.300 0.106 0.000 1.520 36 R HN 0.201 nan 8.270 nan 0.000 0.563 37 F N 1.569 121.503 119.950 -0.027 0.000 2.420 37 F HA 0.353 4.879 4.527 -0.001 0.000 0.342 37 F C -1.577 174.216 175.800 -0.011 0.000 1.113 37 F CA -2.735 55.256 58.000 -0.015 0.000 1.059 37 F CB 1.577 40.570 39.000 -0.012 0.000 1.128 37 F HN -0.211 nan 8.300 nan 0.000 0.475 38 P HA -0.048 nan 4.420 nan 0.000 0.215 38 P C -0.417 176.941 177.300 0.097 0.000 1.157 38 P CA 0.854 63.988 63.100 0.057 0.000 0.856 38 P CB 0.110 31.814 31.700 0.006 0.000 0.786 39 E N -0.349 119.925 120.200 0.123 0.000 2.459 39 E HA 0.031 4.380 4.350 -0.001 0.000 0.264 39 E C 1.056 177.714 176.600 0.096 0.000 1.055 39 E CA 0.550 57.017 56.400 0.113 0.000 0.957 39 E CB -0.555 29.214 29.700 0.115 0.000 0.952 39 E HN 0.092 nan 8.360 nan 0.000 0.448 40 T N 1.341 115.939 114.554 0.074 0.000 3.407 40 T HA -0.049 4.300 4.350 -0.001 0.000 0.204 40 T C 1.128 175.836 174.700 0.012 0.000 0.879 40 T CA 0.562 62.682 62.100 0.034 0.000 2.438 40 T CB -0.049 68.825 68.868 0.010 0.000 1.594 40 T HN 0.659 nan 8.240 nan 0.000 0.353 41 M N 1.920 121.516 119.600 -0.007 0.000 3.123 41 M HA 0.501 4.980 4.480 -0.001 0.000 0.283 41 M C -1.519 174.768 176.300 -0.021 0.000 1.191 41 M CA -0.099 55.188 55.300 -0.023 0.000 1.012 41 M CB -0.733 31.845 32.600 -0.037 0.000 1.247 41 M HN 0.074 nan 8.290 nan 0.000 0.542 42 D N 1.839 122.234 120.400 -0.009 0.000 2.863 42 D HA 0.374 5.013 4.640 -0.001 0.000 0.245 42 D C -1.043 175.245 176.300 -0.020 0.000 1.211 42 D CA -0.016 53.977 54.000 -0.011 0.000 0.888 42 D CB 1.574 42.377 40.800 0.004 0.000 1.483 42 D HN 0.473 nan 8.370 nan 0.000 0.533 43 E N 1.160 121.337 120.200 -0.037 0.000 3.012 43 E HA 0.324 4.673 4.350 -0.001 0.000 0.228 43 E C -0.692 175.893 176.600 -0.025 0.000 1.184 43 E CA -0.846 55.524 56.400 -0.049 0.000 1.407 43 E CB 0.032 29.681 29.700 -0.085 0.000 1.438 43 E HN 0.379 nan 8.360 nan 0.000 0.435 44 T N -0.828 113.722 114.554 -0.006 0.000 0.915 44 T HA -0.344 4.006 4.350 -0.001 0.000 0.734 44 T C 0.659 175.356 174.700 -0.006 0.000 0.985 44 T CA 0.869 62.968 62.100 -0.000 0.000 3.878 44 T CB -1.725 67.144 68.868 0.002 0.000 2.195 44 T HN 0.648 nan 8.240 nan 0.000 0.387 45 Q N -0.012 119.787 119.800 -0.003 0.000 1.942 45 Q HA -0.348 3.991 4.340 -0.001 0.000 0.173 45 Q C 1.150 177.143 176.000 -0.012 0.000 2.935 45 Q CA 3.087 58.886 55.803 -0.005 0.000 0.188 45 Q CB -2.320 26.416 28.738 -0.004 0.000 0.219 45 Q HN 1.918 nan 8.270 nan 0.000 0.363 46 T N 0.473 115.018 114.554 -0.015 0.000 2.701 46 T HA -0.073 4.276 4.350 -0.001 0.000 0.354 46 T C 0.691 175.377 174.700 -0.023 0.000 1.085 46 T CA 0.707 62.795 62.100 -0.019 0.000 1.094 46 T CB 0.304 69.158 68.868 -0.022 0.000 1.010 46 T HN 0.504 nan 8.240 nan 0.000 0.548 47 R N 1.255 121.741 120.500 -0.024 0.000 4.739 47 R HA 0.453 4.792 4.340 -0.001 0.000 0.203 47 R C 0.011 176.292 176.300 -0.032 0.000 2.125 47 R CA -0.010 56.073 56.100 -0.028 0.000 1.743 47 R CB -1.370 28.914 30.300 -0.027 0.000 1.271 47 R HN 0.827 nan 8.270 nan 0.000 0.746 48 A N 0.765 123.565 122.820 -0.034 0.000 2.585 48 A HA 0.418 4.737 4.320 -0.001 0.000 0.299 48 A C -0.012 177.546 177.584 -0.043 0.000 1.047 48 A CA -0.210 51.803 52.037 -0.040 0.000 0.723 48 A CB 1.111 20.087 19.000 -0.041 0.000 1.275 48 A HN 0.375 nan 8.150 nan 0.000 0.408 49 K N 1.457 121.828 120.400 -0.049 0.000 1.059 49 K HA -0.030 4.289 4.320 -0.001 0.000 0.108 49 K C -0.083 176.478 176.600 -0.065 0.000 2.387 49 K CA 0.756 57.012 56.287 -0.051 0.000 1.035 49 K CB -2.040 30.430 32.500 -0.049 0.000 2.669 49 K HN 2.176 nan 8.250 nan 0.000 0.330 50 I N 0.369 120.884 120.570 -0.092 0.000 8.646 50 I HA -0.221 3.948 4.170 -0.001 0.000 0.126 50 I C 0.910 176.939 176.117 -0.148 0.000 1.759 50 I CA 0.817 62.024 61.300 -0.154 0.000 2.173 50 I CB -0.775 37.095 38.000 -0.216 0.000 3.690 50 I HN 0.359 nan 8.210 nan 0.000 0.209 51 G N 2.991 111.672 108.800 -0.198 0.000 2.956 51 G HA2 0.323 4.282 3.960 -0.001 0.000 0.207 51 G HA3 0.323 4.282 3.960 -0.001 0.000 0.207 51 G C 1.071 175.891 174.900 -0.133 0.000 1.162 51 G CA 0.504 45.517 45.100 -0.145 0.000 0.796 51 G HN 1.182 nan 8.290 nan 0.000 0.527 52 G N -0.204 108.488 108.800 -0.180 0.000 2.524 52 G HA2 0.363 4.322 3.960 -0.001 0.000 0.210 52 G HA3 0.363 4.322 3.960 -0.001 0.000 0.210 52 G C 0.243 175.211 174.900 0.112 0.000 1.187 52 G CA 0.625 45.726 45.100 0.001 0.000 0.825 52 G HN 0.428 nan 8.290 nan 0.000 0.558 53 L N -1.031 120.226 121.223 0.057 0.000 2.359 53 L HA 0.440 4.779 4.340 -0.001 0.000 0.256 53 L C 0.290 177.161 176.870 0.001 0.000 1.026 53 L CA -0.112 54.751 54.840 0.037 0.000 0.828 53 L CB 1.463 43.553 42.059 0.053 0.000 1.406 53 L HN 0.674 nan 8.230 nan 0.000 0.413 54 N N 0.403 119.097 118.700 -0.009 0.000 2.693 54 N HA -0.304 4.435 4.740 -0.001 0.000 0.250 54 N C -0.023 175.468 175.510 -0.031 0.000 1.033 54 N CA 1.583 54.616 53.050 -0.027 0.000 0.747 54 N CB -0.846 37.618 38.487 -0.039 0.000 0.964 54 N HN 0.907 nan 8.380 nan 0.000 0.540 55 D N -1.665 118.721 120.400 -0.024 0.000 2.061 55 D HA 0.118 4.757 4.640 -0.001 0.000 0.314 55 D C -2.150 174.142 176.300 -0.014 0.000 1.237 55 D CA 0.216 54.202 54.000 -0.024 0.000 1.206 55 D CB -0.449 40.332 40.800 -0.032 0.000 1.911 55 D HN 0.109 nan 8.370 nan 0.000 0.481 56 P HA -0.113 nan 4.420 nan 0.000 0.049 56 P C -0.790 176.509 177.300 -0.001 0.000 0.686 56 P CA 0.953 64.046 63.100 -0.012 0.000 0.984 56 P CB -1.138 30.561 31.700 -0.001 0.000 1.749 57 R N -2.201 118.294 120.500 -0.008 0.000 3.418 57 R HA -0.174 4.166 4.340 -0.001 0.000 0.274 57 R C 0.971 177.274 176.300 0.006 0.000 1.108 57 R CA 0.773 56.867 56.100 -0.010 0.000 0.741 57 R CB -2.420 27.866 30.300 -0.022 0.000 1.223 57 R HN 0.452 nan 8.270 nan 0.000 0.434 58 L N -4.441 116.799 121.223 0.028 0.000 2.993 58 L HA 0.575 4.914 4.340 -0.001 0.000 0.264 58 L C 0.651 177.569 176.870 0.079 0.000 1.154 58 L CA 0.465 55.346 54.840 0.069 0.000 0.972 58 L CB 1.308 43.394 42.059 0.045 0.000 1.373 58 L HN 0.236 nan 8.230 nan 0.000 0.564 59 G N 0.102 108.926 108.800 0.040 0.000 2.340 59 G HA2 0.463 4.422 3.960 -0.001 0.000 0.299 59 G HA3 0.463 4.422 3.960 -0.001 0.000 0.299 59 G C -1.615 173.283 174.900 -0.003 0.000 1.291 59 G CA 0.102 45.213 45.100 0.019 0.000 0.841 59 G HN 0.465 nan 8.290 nan 0.000 0.500 60 S N -1.777 113.912 115.700 -0.018 0.000 2.615 60 S HA 0.674 5.143 4.470 -0.001 0.000 0.269 60 S C -0.780 173.798 174.600 -0.037 0.000 1.161 60 S CA -0.433 57.750 58.200 -0.027 0.000 0.817 60 S CB 1.346 64.534 63.200 -0.021 0.000 1.131 60 S HN 1.572 nan 8.310 nan 0.000 0.467 61 I N -0.343 120.202 120.570 -0.041 0.000 2.934 61 I HA 0.583 4.752 4.170 -0.001 0.000 0.312 61 I C -0.355 175.735 176.117 -0.046 0.000 1.342 61 I CA -0.286 60.984 61.300 -0.049 0.000 0.946 61 I CB 0.223 38.188 38.000 -0.059 0.000 2.034 61 I HN 0.714 nan 8.210 nan 0.000 0.604 62 D N 2.279 122.655 120.400 -0.039 0.000 2.412 62 D HA 0.070 4.709 4.640 -0.001 0.000 0.326 62 D C 0.537 176.819 176.300 -0.031 0.000 1.209 62 D CA -0.095 53.884 54.000 -0.035 0.000 0.876 62 D CB 0.805 41.586 40.800 -0.031 0.000 1.344 62 D HN 0.411 nan 8.370 nan 0.000 0.503 63 R N 0.692 121.174 120.500 -0.030 0.000 3.416 63 R HA -0.173 4.166 4.340 -0.001 0.000 0.263 63 R C -0.825 175.463 176.300 -0.020 0.000 1.053 63 R CA 0.623 56.708 56.100 -0.025 0.000 0.705 63 R CB -1.718 28.567 30.300 -0.025 0.000 1.124 63 R HN 0.129 nan 8.270 nan 0.000 0.444 64 N N 0.078 118.767 118.700 -0.019 0.000 2.328 64 N HA 0.293 5.032 4.740 -0.001 0.000 0.299 64 N C 0.597 176.100 175.510 -0.011 0.000 1.179 64 N CA -0.941 52.100 53.050 -0.015 0.000 0.793 64 N CB 0.982 39.459 38.487 -0.017 0.000 1.366 64 N HN 0.200 nan 8.380 nan 0.000 0.493 65 L N -1.408 119.810 121.223 -0.008 0.000 3.097 65 L HA 0.203 4.542 4.340 -0.001 0.000 0.268 65 L C 0.040 176.907 176.870 -0.004 0.000 1.180 65 L CA 0.666 55.504 54.840 -0.005 0.000 0.996 65 L CB -0.468 41.589 42.059 -0.004 0.000 1.306 65 L HN 0.056 nan 8.230 nan 0.000 0.413 66 K N 0.181 120.577 120.400 -0.006 0.000 2.811 66 K HA 0.203 4.522 4.320 -0.001 0.000 0.217 66 K C -0.351 176.248 176.600 -0.002 0.000 1.115 66 K CA -0.118 56.165 56.287 -0.008 0.000 1.179 66 K CB 0.109 32.600 32.500 -0.014 0.000 0.994 66 K HN 0.388 nan 8.250 nan 0.000 0.464 67 C N 3.195 122.501 119.300 0.009 0.000 2.364 67 C HA 0.126 4.585 4.460 -0.001 0.000 0.405 67 C C -0.405 174.595 174.990 0.016 0.000 1.122 67 C CA -0.604 58.432 59.018 0.029 0.000 1.601 67 C CB -1.999 25.776 27.740 0.059 0.000 1.601 67 C HN 0.772 nan 8.230 nan 0.000 0.509 68 Q N 2.480 122.276 119.800 -0.007 0.000 2.779 68 Q HA -0.218 4.121 4.340 -0.001 0.000 0.125 68 Q C 0.658 176.625 176.000 -0.056 0.000 1.465 68 Q CA 1.355 57.139 55.803 -0.032 0.000 0.531 68 Q CB -2.198 26.515 28.738 -0.041 0.000 0.684 68 Q HN 1.010 nan 8.270 nan 0.000 0.317 69 T N -1.159 113.369 114.554 -0.043 0.000 10.265 69 T HA -0.455 3.894 4.350 -0.001 0.000 0.414 69 T C 1.351 176.027 174.700 -0.039 0.000 1.478 69 T CA 2.125 64.199 62.100 -0.044 0.000 2.460 69 T CB -2.149 66.686 68.868 -0.056 0.000 2.923 69 T HN 1.354 nan 8.240 nan 0.000 1.128 70 C N 1.150 120.425 119.300 -0.042 0.000 2.485 70 C HA 0.226 4.685 4.460 -0.001 0.000 0.277 70 C C 2.029 177.028 174.990 0.016 0.000 1.376 70 C CA 1.577 60.592 59.018 -0.005 0.000 1.759 70 C CB -0.830 26.930 27.740 0.032 0.000 1.970 70 C HN 0.677 nan 8.230 nan 0.000 0.509 71 Q N -0.276 119.531 119.800 0.011 0.000 2.070 71 Q HA -0.328 4.011 4.340 -0.001 0.000 0.177 71 Q C 1.271 177.281 176.000 0.017 0.000 2.921 71 Q CA 2.699 58.508 55.803 0.009 0.000 0.206 71 Q CB -1.232 27.508 28.738 0.003 0.000 0.258 71 Q HN 0.600 nan 8.270 nan 0.000 0.373 72 E N -0.649 119.562 120.200 0.019 0.000 2.999 72 E HA -0.343 4.006 4.350 -0.001 0.000 0.206 72 E C 1.059 177.664 176.600 0.009 0.000 0.958 72 E CA 2.724 59.134 56.400 0.016 0.000 1.768 72 E CB -1.533 28.183 29.700 0.027 0.000 1.687 72 E HN 1.211 nan 8.360 nan 0.000 0.406 73 G N 0.307 109.114 108.800 0.011 0.000 2.755 73 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.686 73 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.686 73 G C 0.065 174.959 174.900 -0.010 0.000 1.427 73 G CA 0.083 45.183 45.100 0.000 0.000 0.873 73 G HN 0.201 nan 8.290 nan 0.000 0.580 74 M N 0.956 120.546 119.600 -0.017 0.000 2.150 74 M HA -0.123 4.356 4.480 -0.001 0.000 0.365 74 M C 1.274 177.559 176.300 -0.025 0.000 1.080 74 M CA 1.637 56.921 55.300 -0.026 0.000 0.839 74 M CB -0.817 31.766 32.600 -0.028 0.000 1.731 74 M HN 1.620 nan 8.290 nan 0.000 0.486 75 N N 1.296 119.978 118.700 -0.031 0.000 2.725 75 N HA -0.194 4.545 4.740 -0.001 0.000 0.256 75 N C 0.018 175.514 175.510 -0.024 0.000 1.087 75 N CA 1.345 54.378 53.050 -0.028 0.000 0.690 75 N CB -0.222 38.251 38.487 -0.024 0.000 0.891 75 N HN 0.860 nan 8.380 nan 0.000 0.553 76 E N -1.192 118.990 120.200 -0.030 0.000 1.471 76 E HA -0.002 4.347 4.350 -0.001 0.000 0.231 76 E C -0.670 175.908 176.600 -0.037 0.000 1.060 76 E CA 0.392 56.777 56.400 -0.025 0.000 1.360 76 E CB -0.766 28.926 29.700 -0.013 0.000 4.400 76 E HN 0.419 nan 8.360 nan 0.000 0.786 77 C N 4.676 123.951 119.300 -0.041 0.000 2.657 77 C HA 0.303 4.763 4.460 -0.001 0.000 0.404 77 C C -0.792 174.109 174.990 -0.148 0.000 1.369 77 C CA -0.714 58.255 59.018 -0.080 0.000 1.665 77 C CB 0.478 28.194 27.740 -0.040 0.000 2.453 77 C HN 0.449 nan 8.230 nan 0.000 0.599 78 P HA 0.124 nan 4.420 nan 0.000 0.217 78 P C 0.491 177.652 177.300 -0.231 0.000 1.150 78 P CA 1.743 64.731 63.100 -0.185 0.000 0.832 78 P CB 0.009 31.608 31.700 -0.168 0.000 0.787 79 G N 0.724 109.293 108.800 -0.385 0.000 2.768 79 G HA2 -0.085 3.874 3.960 -0.001 0.000 0.666 79 G HA3 -0.085 3.874 3.960 -0.001 0.000 0.666 79 G C -0.574 174.120 174.900 -0.343 0.000 1.162 79 G CA -0.822 44.085 45.100 -0.321 0.000 1.226 79 G HN 0.329 nan 8.290 nan 0.000 0.535 80 H N 1.098 120.130 119.070 -0.064 0.000 2.732 80 H HA 0.369 4.924 4.556 -0.001 0.000 0.351 80 H C 0.670 175.977 175.328 -0.034 0.000 1.090 80 H CA 0.263 56.312 56.048 0.002 0.000 1.431 80 H CB 0.868 30.646 29.762 0.026 0.000 1.447 80 H HN 0.322 nan 8.280 nan 0.000 0.582 81 F N 0.298 120.315 119.950 0.112 0.000 2.440 81 F HA 0.319 4.845 4.527 -0.001 0.000 0.323 81 F C 1.336 177.170 175.800 0.056 0.000 1.192 81 F CA 0.640 58.670 58.000 0.051 0.000 1.252 81 F CB 0.890 39.897 39.000 0.012 0.000 1.214 81 F HN 0.559 nan 8.300 nan 0.000 0.578 82 G N -0.571 108.406 108.800 0.294 0.000 2.630 82 G HA2 0.596 4.556 3.960 -0.001 0.000 0.296 82 G HA3 0.596 4.556 3.960 -0.001 0.000 0.296 82 G C -2.089 172.965 174.900 0.258 0.000 1.285 82 G CA -0.701 44.536 45.100 0.228 0.000 0.958 82 G HN 0.851 nan 8.290 nan 0.000 0.479 83 H N -1.979 117.109 119.070 0.029 0.000 2.851 83 H HA 0.777 5.332 4.556 -0.001 0.000 0.372 83 H C -1.552 173.768 175.328 -0.014 0.000 1.158 83 H CA -1.116 54.925 56.048 -0.013 0.000 1.159 83 H CB 2.523 32.267 29.762 -0.029 0.000 1.757 83 H HN 0.536 nan 8.280 nan 0.000 0.546 84 I N 2.398 122.882 120.570 -0.143 0.000 2.534 84 I HA 0.212 4.382 4.170 -0.001 0.000 0.288 84 I C -1.247 174.797 176.117 -0.121 0.000 1.077 84 I CA -0.850 60.333 61.300 -0.194 0.000 1.051 84 I CB 1.762 39.684 38.000 -0.130 0.000 1.234 84 I HN 0.749 nan 8.210 nan 0.000 0.425 85 D N 7.907 128.234 120.400 -0.121 0.000 2.280 85 D HA 0.212 4.851 4.640 -0.001 0.000 0.243 85 D C -0.218 176.054 176.300 -0.045 0.000 1.129 85 D CA -0.178 53.792 54.000 -0.050 0.000 0.848 85 D CB 2.059 42.843 40.800 -0.026 0.000 1.107 85 D HN 0.258 nan 8.370 nan 0.000 0.471 86 L N 2.051 123.254 121.223 -0.034 0.000 2.417 86 L HA 0.170 4.510 4.340 -0.001 0.000 0.268 86 L C 1.170 178.021 176.870 -0.032 0.000 1.158 86 L CA 0.192 55.008 54.840 -0.040 0.000 0.819 86 L CB 1.258 43.294 42.059 -0.037 0.000 1.112 86 L HN 0.443 nan 8.230 nan 0.000 0.458 87 A N 4.967 127.763 122.820 -0.041 0.000 1.911 87 A HA 0.069 4.388 4.320 -0.001 0.000 0.212 87 A C 0.718 178.281 177.584 -0.035 0.000 1.189 87 A CA 0.771 52.787 52.037 -0.035 0.000 0.639 87 A CB 0.178 19.151 19.000 -0.046 0.000 0.839 87 A HN 0.685 nan 8.150 nan 0.000 0.449 88 K N 0.319 120.689 120.400 -0.049 0.000 2.790 88 K HA 0.304 4.623 4.320 -0.001 0.000 0.253 88 K C -2.970 173.581 176.600 -0.082 0.000 1.082 88 K CA -1.855 54.399 56.287 -0.056 0.000 1.067 88 K CB 1.691 34.159 32.500 -0.054 0.000 1.284 88 K HN -0.045 nan 8.250 nan 0.000 0.529 89 P HA -0.216 nan 4.420 nan 0.000 0.262 89 P C -0.498 176.696 177.300 -0.177 0.000 1.118 89 P CA 0.490 63.531 63.100 -0.099 0.000 0.754 89 P CB 0.141 31.788 31.700 -0.088 0.000 0.706 90 V N 1.553 121.382 119.914 -0.142 0.000 2.769 90 V HA 0.542 4.662 4.120 -0.001 0.000 0.312 90 V C 0.230 176.260 176.094 -0.106 0.000 1.058 90 V CA -1.121 61.078 62.300 -0.169 0.000 0.952 90 V CB 1.199 32.983 31.823 -0.064 0.000 1.019 90 V HN 0.115 nan 8.190 nan 0.000 0.445 91 F N 1.296 121.269 119.950 0.039 0.000 2.490 91 F HA 0.341 4.868 4.527 -0.001 0.000 0.336 91 F C 0.784 176.646 175.800 0.105 0.000 1.178 91 F CA 0.018 58.057 58.000 0.064 0.000 1.301 91 F CB 0.022 39.050 39.000 0.046 0.000 1.175 91 F HN 0.820 nan 8.300 nan 0.000 0.593 92 H N 1.700 120.915 119.070 0.241 0.000 2.643 92 H HA 0.373 4.928 4.556 -0.001 0.000 0.259 92 H C 0.882 176.147 175.328 -0.104 0.000 1.298 92 H CA -0.671 55.417 56.048 0.068 0.000 1.301 92 H CB 0.316 30.135 29.762 0.094 0.000 1.422 92 H HN 0.519 nan 8.280 nan 0.000 0.521 93 V N 2.095 122.086 119.914 0.129 0.000 2.406 93 V HA -0.449 3.670 4.120 -0.001 0.000 0.243 93 V C 2.197 178.254 176.094 -0.061 0.000 1.103 93 V CA 2.348 64.677 62.300 0.049 0.000 1.094 93 V CB -1.556 30.296 31.823 0.049 0.000 0.922 93 V HN 0.776 nan 8.190 nan 0.000 0.467 94 G N -1.554 107.075 108.800 -0.284 0.000 2.598 94 G HA2 0.094 4.053 3.960 -0.001 0.000 0.215 94 G HA3 0.094 4.053 3.960 -0.001 0.000 0.215 94 G C 1.031 175.507 174.900 -0.708 0.000 1.131 94 G CA 0.683 45.336 45.100 -0.744 0.000 0.785 94 G HN 0.664 nan 8.290 nan 0.000 0.539 95 F N -0.275 119.505 119.950 -0.284 0.000 2.688 95 F HA 0.358 4.884 4.527 -0.001 0.000 0.310 95 F C 1.925 177.622 175.800 -0.172 0.000 1.098 95 F CA -0.860 56.994 58.000 -0.243 0.000 1.228 95 F CB 0.501 39.334 39.000 -0.278 0.000 1.042 95 F HN -0.045 nan 8.300 nan 0.000 0.557 96 I N 1.012 121.564 120.570 -0.031 0.000 2.099 96 I HA -0.322 3.847 4.170 -0.001 0.000 0.239 96 I C 2.809 178.858 176.117 -0.114 0.000 1.066 96 I CA 1.705 62.916 61.300 -0.150 0.000 1.324 96 I CB -1.314 36.581 38.000 -0.174 0.000 1.037 96 I HN 0.158 nan 8.210 nan 0.000 0.401 97 A N 0.614 123.389 122.820 -0.075 0.000 1.896 97 A HA -0.337 3.983 4.320 -0.001 0.000 0.220 97 A C 2.385 179.929 177.584 -0.067 0.000 1.206 97 A CA 2.703 54.697 52.037 -0.071 0.000 0.647 97 A CB -0.692 18.267 19.000 -0.068 0.000 0.828 97 A HN 0.325 nan 8.150 nan 0.000 0.455 98 K N -0.799 119.578 120.400 -0.039 0.000 1.973 98 K HA -0.004 4.316 4.320 -0.001 0.000 0.210 98 K C 1.748 178.372 176.600 0.041 0.000 1.045 98 K CA 1.397 57.669 56.287 -0.025 0.000 0.937 98 K CB -0.571 31.911 32.500 -0.030 0.000 0.721 98 K HN 0.333 nan 8.250 nan 0.000 0.438 99 I N 1.576 122.140 120.570 -0.010 0.000 2.181 99 I HA -0.415 3.754 4.170 -0.001 0.000 0.247 99 I C 2.264 178.407 176.117 0.044 0.000 1.081 99 I CA 1.736 62.996 61.300 -0.067 0.000 1.340 99 I CB -0.183 37.731 38.000 -0.144 0.000 1.036 99 I HN 0.249 nan 8.210 nan 0.000 0.417 100 K N 0.465 120.866 120.400 0.003 0.000 2.001 100 K HA -0.229 4.090 4.320 -0.001 0.000 0.208 100 K C 2.215 178.911 176.600 0.160 0.000 1.048 100 K CA 1.565 57.886 56.287 0.057 0.000 0.932 100 K CB -0.178 32.319 32.500 -0.004 0.000 0.715 100 K HN 0.216 nan 8.250 nan 0.000 0.437 101 K N 0.420 120.890 120.400 0.118 0.000 2.152 101 K HA -0.108 4.211 4.320 -0.001 0.000 0.206 101 K C 1.964 178.769 176.600 0.341 0.000 1.048 101 K CA 1.421 57.782 56.287 0.123 0.000 0.933 101 K CB -0.004 32.394 32.500 -0.170 0.000 0.721 101 K HN 0.054 nan 8.250 nan 0.000 0.447 102 V N 0.421 120.579 119.914 0.407 0.000 2.548 102 V HA -0.252 3.868 4.120 -0.001 0.000 0.249 102 V C 2.250 178.575 176.094 0.385 0.000 1.055 102 V CA 1.261 63.849 62.300 0.479 0.000 1.065 102 V CB -0.358 31.844 31.823 0.632 0.000 0.681 102 V HN 0.418 nan 8.190 nan 0.000 0.462 103 C N -0.002 119.526 119.300 0.380 0.000 2.450 103 C HA -0.083 4.376 4.460 -0.001 0.000 0.279 103 C C 2.534 177.642 174.990 0.198 0.000 1.335 103 C CA 0.646 59.834 59.018 0.282 0.000 1.749 103 C CB -0.867 27.038 27.740 0.276 0.000 1.963 103 C HN 0.599 nan 8.230 nan 0.000 0.501 104 E N -0.988 119.357 120.200 0.241 0.000 2.478 104 E HA -0.126 4.223 4.350 -0.001 0.000 0.198 104 E C 1.583 178.269 176.600 0.142 0.000 1.046 104 E CA 0.623 57.142 56.400 0.199 0.000 0.870 104 E CB -0.019 29.866 29.700 0.307 0.000 0.818 104 E HN 0.652 nan 8.360 nan 0.000 0.527 105 C N 0.055 119.455 119.300 0.166 0.000 3.070 105 C HA 0.253 4.713 4.460 -0.001 0.000 0.280 105 C C 0.803 175.816 174.990 0.038 0.000 1.264 105 C CA -0.522 58.547 59.018 0.084 0.000 1.690 105 C CB -0.033 27.751 27.740 0.073 0.000 2.049 105 C HN 0.035 nan 8.230 nan 0.000 0.636 106 V N -0.718 119.214 119.914 0.031 0.000 3.204 106 V HA 0.463 4.582 4.120 -0.001 0.000 0.316 106 V C -0.297 175.801 176.094 0.006 0.000 1.160 106 V CA -0.712 61.569 62.300 -0.031 0.000 1.044 106 V CB 1.671 33.389 31.823 -0.177 0.000 1.136 106 V HN 0.302 nan 8.190 nan 0.000 0.455 107 C N 3.402 122.702 119.300 -0.001 0.000 2.322 107 C HA 0.608 5.068 4.460 -0.001 0.000 0.324 107 C C 0.009 175.045 174.990 0.075 0.000 1.284 107 C CA -0.959 58.089 59.018 0.050 0.000 1.606 107 C CB 0.091 27.859 27.740 0.046 0.000 2.251 107 C HN 0.740 nan 8.230 nan 0.000 0.502 108 M N 6.957 126.644 119.600 0.144 0.000 2.219 108 M HA 0.278 4.757 4.480 -0.001 0.000 0.353 108 M C 1.049 177.505 176.300 0.260 0.000 1.304 108 M CA 1.030 56.431 55.300 0.168 0.000 1.115 108 M CB -0.598 32.155 32.600 0.256 0.000 1.664 108 M HN 0.968 nan 8.290 nan 0.000 0.459 109 H N 0.563 119.677 119.070 0.074 0.000 4.686 109 H HA -0.232 4.324 4.556 -0.001 0.000 0.061 109 H C 1.605 176.974 175.328 0.069 0.000 0.624 109 H CA 1.849 57.934 56.048 0.062 0.000 0.900 109 H CB -1.403 28.377 29.762 0.030 0.000 0.412 109 H HN 0.852 nan 8.280 nan 0.000 0.815 110 C N 2.863 122.271 119.300 0.180 0.000 2.446 110 C HA 0.427 4.887 4.460 -0.001 0.000 0.277 110 C C 1.593 176.619 174.990 0.060 0.000 1.275 110 C CA 1.446 60.511 59.018 0.079 0.000 1.727 110 C CB -1.077 26.684 27.740 0.035 0.000 2.010 110 C HN 1.547 nan 8.230 nan 0.000 0.486 111 G N 1.791 110.622 108.800 0.052 0.000 2.694 111 G HA2 -0.011 3.949 3.960 -0.001 0.000 0.247 111 G HA3 -0.011 3.949 3.960 -0.001 0.000 0.247 111 G C -0.552 174.342 174.900 -0.009 0.000 0.989 111 G CA 0.548 45.653 45.100 0.007 0.000 1.252 111 G HN 1.261 nan 8.290 nan 0.000 0.483 112 K N 2.106 122.495 120.400 -0.019 0.000 2.774 112 K HA 0.311 4.630 4.320 -0.001 0.000 0.283 112 K C -0.030 176.566 176.600 -0.006 0.000 1.050 112 K CA -1.107 55.173 56.287 -0.011 0.000 0.872 112 K CB 0.821 33.313 32.500 -0.013 0.000 1.434 112 K HN 0.422 nan 8.250 nan 0.000 0.372 113 L N 2.610 123.835 121.223 0.003 0.000 2.453 113 L HA -0.008 4.331 4.340 -0.001 0.000 0.274 113 L C 1.206 178.076 176.870 -0.000 0.000 1.270 113 L CA 0.261 55.105 54.840 0.008 0.000 0.822 113 L CB 0.156 42.227 42.059 0.021 0.000 1.091 113 L HN 0.624 nan 8.230 nan 0.000 0.546 114 L N 0.993 122.215 121.223 -0.002 0.000 2.749 114 L HA 0.216 4.555 4.340 -0.001 0.000 0.242 114 L C 0.346 177.209 176.870 -0.011 0.000 1.103 114 L CA 0.266 55.102 54.840 -0.007 0.000 0.906 114 L CB 0.469 42.524 42.059 -0.008 0.000 1.228 114 L HN 0.486 nan 8.230 nan 0.000 0.517 115 L N 0.422 121.642 121.223 -0.004 0.000 2.980 115 L HA 0.244 4.583 4.340 -0.001 0.000 0.314 115 L C -1.045 175.840 176.870 0.024 0.000 1.303 115 L CA -0.484 54.358 54.840 0.003 0.000 0.785 115 L CB 0.949 43.006 42.059 -0.004 0.000 1.190 115 L HN -0.026 nan 8.230 nan 0.000 0.567 116 D N 1.334 121.749 120.400 0.025 0.000 2.458 116 D HA 0.064 4.704 4.640 -0.001 0.000 0.243 116 D C 0.853 177.215 176.300 0.103 0.000 1.146 116 D CA 0.588 54.624 54.000 0.059 0.000 0.877 116 D CB 1.990 42.812 40.800 0.037 0.000 1.176 116 D HN 0.401 nan 8.370 nan 0.000 0.461 117 E N 0.228 120.589 120.200 0.269 0.000 2.090 117 E HA -0.084 4.266 4.350 -0.001 0.000 0.208 117 E C -0.406 176.251 176.600 0.096 0.000 1.032 117 E CA -0.332 56.167 56.400 0.164 0.000 1.430 117 E CB 0.125 29.918 29.700 0.155 0.000 3.680 117 E HN 0.495 nan 8.360 nan 0.000 1.007 118 H N 0.998 120.068 119.070 -0.001 0.000 2.883 118 H HA -0.260 4.296 4.556 -0.001 0.000 0.311 118 H C -0.018 175.308 175.328 -0.004 0.000 1.014 118 H CA 1.891 57.937 56.048 -0.003 0.000 1.179 118 H CB -0.294 29.465 29.762 -0.004 0.000 1.026 118 H HN 0.584 nan 8.280 nan 0.000 0.734 119 N N 0.882 119.661 118.700 0.132 0.000 2.467 119 N HA -0.196 4.543 4.740 -0.001 0.000 0.294 119 N C -0.065 175.465 175.510 0.034 0.000 1.361 119 N CA 1.295 54.385 53.050 0.066 0.000 0.665 119 N CB -0.385 38.136 38.487 0.056 0.000 0.939 119 N HN 0.649 nan 8.380 nan 0.000 0.520 120 E N 2.458 122.669 120.200 0.018 0.000 2.506 120 E HA -0.003 4.347 4.350 -0.001 0.000 0.210 120 E C 0.763 177.366 176.600 0.005 0.000 1.325 120 E CA 0.239 56.642 56.400 0.005 0.000 1.273 120 E CB -0.025 29.674 29.700 -0.002 0.000 1.276 120 E HN 0.706 nan 8.360 nan 0.000 0.442 121 L N -0.411 120.816 121.223 0.007 0.000 2.953 121 L HA 0.175 4.514 4.340 -0.001 0.000 0.258 121 L C 1.003 177.876 176.870 0.005 0.000 1.100 121 L CA -0.001 54.841 54.840 0.004 0.000 0.971 121 L CB 0.517 42.575 42.059 -0.002 0.000 1.474 121 L HN 0.163 nan 8.230 nan 0.000 0.540 122 M N -0.098 119.508 119.600 0.010 0.000 2.853 122 M HA 0.199 4.679 4.480 -0.001 0.000 0.274 122 M C 1.028 177.340 176.300 0.020 0.000 1.289 122 M CA 0.647 55.955 55.300 0.013 0.000 1.031 122 M CB -0.575 32.033 32.600 0.013 0.000 1.352 122 M HN -0.025 nan 8.290 nan 0.000 0.485 123 R N -1.433 119.076 120.500 0.015 0.000 2.125 123 R HA 0.105 4.445 4.340 -0.001 0.000 0.195 123 R C 1.519 177.827 176.300 0.013 0.000 1.138 123 R CA 0.660 56.767 56.100 0.012 0.000 1.123 123 R CB 0.167 30.468 30.300 0.002 0.000 1.049 123 R HN 0.363 nan 8.270 nan 0.000 0.503 124 Q N 0.716 120.524 119.800 0.012 0.000 2.230 124 Q HA 0.127 4.467 4.340 -0.001 0.000 0.202 124 Q C 1.758 177.771 176.000 0.022 0.000 0.963 124 Q CA 1.451 57.263 55.803 0.015 0.000 0.866 124 Q CB -0.221 28.525 28.738 0.013 0.000 0.931 124 Q HN 0.244 nan 8.270 nan 0.000 0.452 125 A N 0.773 123.605 122.820 0.021 0.000 1.930 125 A HA -0.036 4.283 4.320 -0.001 0.000 0.217 125 A C 2.021 179.625 177.584 0.033 0.000 1.175 125 A CA 0.956 53.009 52.037 0.027 0.000 0.627 125 A CB -0.621 18.392 19.000 0.021 0.000 0.815 125 A HN 0.380 nan 8.150 nan 0.000 0.443 126 L N -1.115 120.126 121.223 0.030 0.000 2.240 126 L HA -0.018 4.321 4.340 -0.001 0.000 0.211 126 L C 2.775 179.668 176.870 0.039 0.000 1.106 126 L CA 0.941 55.803 54.840 0.037 0.000 0.793 126 L CB -0.196 41.884 42.059 0.035 0.000 0.927 126 L HN 0.404 nan 8.230 nan 0.000 0.446 127 A N -0.125 122.714 122.820 0.031 0.000 1.874 127 A HA -0.083 4.236 4.320 -0.001 0.000 0.214 127 A C 1.371 178.975 177.584 0.033 0.000 1.189 127 A CA 0.185 52.239 52.037 0.029 0.000 0.615 127 A CB -0.485 18.528 19.000 0.021 0.000 0.830 127 A HN 0.325 nan 8.150 nan 0.000 0.443 128 I N 1.256 121.846 120.570 0.034 0.000 3.015 128 I HA -0.116 4.054 4.170 -0.001 0.000 0.309 128 I C -0.182 175.959 176.117 0.041 0.000 1.229 128 I CA 0.475 61.797 61.300 0.036 0.000 1.430 128 I CB 0.238 38.261 38.000 0.038 0.000 1.347 128 I HN 0.224 nan 8.210 nan 0.000 0.544 129 K N 6.829 127.251 120.400 0.035 0.000 2.205 129 K HA 0.302 4.621 4.320 -0.001 0.000 0.279 129 K C -0.864 175.756 176.600 0.034 0.000 1.027 129 K CA -0.435 55.873 56.287 0.035 0.000 0.932 129 K CB 0.743 33.261 32.500 0.029 0.000 1.032 129 K HN 0.603 nan 8.250 nan 0.000 0.466 130 D N 0.695 121.115 120.400 0.034 0.000 2.653 130 D HA -0.077 4.563 4.640 -0.001 0.000 0.117 130 D C 0.179 176.493 176.300 0.024 0.000 0.770 130 D CA -0.048 53.968 54.000 0.026 0.000 1.454 130 D CB 0.270 41.088 40.800 0.030 0.000 4.603 130 D HN 0.362 nan 8.370 nan 0.000 0.832 131 S N 2.267 117.966 115.700 -0.001 0.000 2.440 131 S HA -0.183 4.286 4.470 -0.001 0.000 0.240 131 S C 1.573 176.137 174.600 -0.059 0.000 1.014 131 S CA 1.400 59.575 58.200 -0.040 0.000 0.980 131 S CB 0.318 63.470 63.200 -0.081 0.000 0.775 131 S HN 0.395 nan 8.310 nan 0.000 0.499 132 K N -0.305 120.075 120.400 -0.032 0.000 2.325 132 K HA 0.219 4.538 4.320 -0.001 0.000 0.203 132 K C 1.747 178.371 176.600 0.041 0.000 1.128 132 K CA 0.292 56.551 56.287 -0.045 0.000 0.931 132 K CB 0.118 32.573 32.500 -0.076 0.000 1.125 132 K HN -0.072 nan 8.250 nan 0.000 0.487 133 K N 0.776 121.206 120.400 0.051 0.000 2.418 133 K HA 0.095 4.415 4.320 -0.001 0.000 0.195 133 K C 1.748 178.410 176.600 0.104 0.000 1.035 133 K CA 0.397 56.730 56.287 0.076 0.000 1.003 133 K CB 0.258 32.789 32.500 0.052 0.000 0.793 133 K HN -0.006 nan 8.250 nan 0.000 0.494 134 R N -0.232 120.333 120.500 0.109 0.000 2.055 134 R HA -0.045 4.294 4.340 -0.001 0.000 0.226 134 R C 1.908 178.301 176.300 0.154 0.000 1.135 134 R CA 1.108 57.275 56.100 0.111 0.000 0.959 134 R CB -0.369 29.989 30.300 0.096 0.000 0.854 134 R HN 0.193 nan 8.270 nan 0.000 0.431 135 F N 1.568 121.536 119.950 0.030 0.000 2.063 135 F HA -0.318 4.208 4.527 -0.001 0.000 0.298 135 F C 2.270 178.134 175.800 0.106 0.000 1.109 135 F CA 2.156 60.187 58.000 0.051 0.000 1.212 135 F CB -0.468 38.517 39.000 -0.025 0.000 0.973 135 F HN 0.195 nan 8.300 nan 0.000 0.480 136 A N 0.299 123.344 122.820 0.374 0.000 1.903 136 A HA -0.251 4.068 4.320 -0.001 0.000 0.219 136 A C 2.360 180.082 177.584 0.231 0.000 1.191 136 A CA 2.425 54.643 52.037 0.301 0.000 0.638 136 A CB -1.699 17.422 19.000 0.201 0.000 0.823 136 A HN 0.583 nan 8.150 nan 0.000 0.451 137 A N -0.693 122.215 122.820 0.147 0.000 1.930 137 A HA 0.004 4.324 4.320 -0.001 0.000 0.217 137 A C 2.149 179.769 177.584 0.060 0.000 1.175 137 A CA 1.367 53.461 52.037 0.094 0.000 0.627 137 A CB -0.513 18.528 19.000 0.068 0.000 0.815 137 A HN 0.513 nan 8.150 nan 0.000 0.443 138 I N -2.311 118.280 120.570 0.034 0.000 2.090 138 I HA -0.273 3.897 4.170 -0.001 0.000 0.236 138 I C 2.432 178.532 176.117 -0.027 0.000 1.064 138 I CA 1.832 63.116 61.300 -0.027 0.000 1.324 138 I CB -0.334 37.609 38.000 -0.095 0.000 1.044 138 I HN 0.742 nan 8.210 nan 0.000 0.399 139 W N 1.726 122.874 121.300 -0.253 0.000 2.374 139 W HA -0.223 4.437 4.660 -0.001 0.000 0.288 139 W C 2.416 178.884 176.519 -0.084 0.000 1.218 139 W CA 2.046 59.262 57.345 -0.216 0.000 1.245 139 W CB -0.333 28.950 29.460 -0.295 0.000 1.126 139 W HN 0.097 nan 8.180 nan 0.000 0.545 140 T N 0.484 114.970 114.554 -0.114 0.000 2.857 140 T HA -0.124 4.225 4.350 -0.001 0.000 0.266 140 T C 1.456 175.980 174.700 -0.294 0.000 1.048 140 T CA 1.232 63.135 62.100 -0.328 0.000 1.139 140 T CB -0.560 68.287 68.868 -0.035 0.000 0.874 140 T HN 0.144 nan 8.240 nan 0.000 0.455 141 L N 0.362 121.484 121.223 -0.168 0.000 2.737 141 L HA 0.391 4.730 4.340 -0.001 0.000 0.236 141 L C 1.633 178.418 176.870 -0.143 0.000 1.219 141 L CA -0.259 54.504 54.840 -0.129 0.000 1.021 141 L CB 0.096 42.117 42.059 -0.064 0.000 1.291 141 L HN 0.408 nan 8.230 nan 0.000 0.470 142 C N -0.699 118.465 119.300 -0.226 0.000 4.049 142 C HA 0.076 4.535 4.460 -0.001 0.000 0.493 142 C C 2.119 176.961 174.990 -0.246 0.000 1.535 142 C CA -0.130 58.775 59.018 -0.189 0.000 2.218 142 C CB -0.036 27.624 27.740 -0.133 0.000 3.323 142 C HN 0.594 nan 8.230 nan 0.000 0.654 143 K N 1.004 121.131 120.400 -0.454 0.000 2.611 143 K HA 0.128 4.447 4.320 -0.001 0.000 0.193 143 K C 0.761 177.211 176.600 -0.250 0.000 1.026 143 K CA 1.651 57.689 56.287 -0.414 0.000 1.063 143 K CB -0.649 31.407 32.500 -0.739 0.000 0.839 143 K HN 0.476 nan 8.250 nan 0.000 0.505 144 T N -0.703 113.734 114.554 -0.195 0.000 3.023 144 T HA 0.117 4.466 4.350 -0.001 0.000 0.249 144 T C 0.191 174.844 174.700 -0.077 0.000 1.050 144 T CA -0.213 61.811 62.100 -0.126 0.000 1.088 144 T CB 0.177 68.976 68.868 -0.115 0.000 0.946 144 T HN -0.005 nan 8.240 nan 0.000 0.480 145 K N 2.464 122.822 120.400 -0.070 0.000 2.336 145 K HA 0.295 4.614 4.320 -0.001 0.000 0.290 145 K C 0.768 177.361 176.600 -0.011 0.000 1.067 145 K CA -0.017 56.248 56.287 -0.036 0.000 0.962 145 K CB 0.737 33.218 32.500 -0.032 0.000 1.008 145 K HN 0.294 nan 8.250 nan 0.000 0.467 146 M N 1.718 121.319 119.600 0.002 0.000 2.101 146 M HA -0.146 4.333 4.480 -0.001 0.000 0.259 146 M C 1.255 177.588 176.300 0.055 0.000 1.083 146 M CA 1.187 56.505 55.300 0.030 0.000 1.114 146 M CB -0.742 31.876 32.600 0.030 0.000 1.281 146 M HN 0.328 nan 8.290 nan 0.000 0.422 147 V N -2.368 117.570 119.914 0.041 0.000 3.336 147 V HA 0.097 4.216 4.120 -0.001 0.000 0.304 147 V C 1.032 177.142 176.094 0.027 0.000 1.073 147 V CA -0.951 61.374 62.300 0.041 0.000 1.074 147 V CB 1.063 32.899 31.823 0.023 0.000 1.161 147 V HN 0.661 nan 8.190 nan 0.000 0.460 148 C N 0.342 119.653 119.300 0.020 0.000 2.563 148 C HA 0.343 4.803 4.460 -0.001 0.000 0.268 148 C C 0.743 175.727 174.990 -0.008 0.000 1.365 148 C CA 0.632 59.656 59.018 0.010 0.000 1.754 148 C CB -2.322 25.425 27.740 0.013 0.000 1.932 148 C HN 1.082 nan 8.230 nan 0.000 0.536 149 E N -1.126 119.066 120.200 -0.014 0.000 7.552 149 E HA -0.106 4.244 4.350 -0.001 0.000 0.418 149 E C 0.443 177.024 176.600 -0.031 0.000 0.537 149 E CA 0.357 56.743 56.400 -0.024 0.000 1.114 149 E CB -0.828 28.852 29.700 -0.032 0.000 0.948 149 E HN 0.409 nan 8.360 nan 0.000 0.262 150 T N 1.626 116.162 114.554 -0.030 0.000 2.671 150 T HA -0.008 4.341 4.350 -0.001 0.000 0.250 150 T C 0.350 175.026 174.700 -0.041 0.000 1.068 150 T CA 1.033 63.113 62.100 -0.033 0.000 1.177 150 T CB 0.003 68.854 68.868 -0.028 0.000 0.876 150 T HN 0.427 nan 8.240 nan 0.000 0.405 151 D N -0.200 120.175 120.400 -0.041 0.000 2.579 151 D HA 0.524 5.163 4.640 -0.001 0.000 0.257 151 D C -0.850 175.416 176.300 -0.057 0.000 1.176 151 D CA -0.518 53.451 54.000 -0.052 0.000 0.914 151 D CB 2.447 43.224 40.800 -0.040 0.000 1.431 151 D HN 0.260 nan 8.370 nan 0.000 0.454 152 V N -2.147 117.720 119.914 -0.078 0.000 2.850 152 V HA 0.698 4.818 4.120 -0.001 0.000 0.315 152 V C -2.673 173.410 176.094 -0.018 0.000 1.064 152 V CA -1.997 60.255 62.300 -0.080 0.000 0.979 152 V CB 1.161 32.850 31.823 -0.223 0.000 1.039 152 V HN 0.305 nan 8.190 nan 0.000 0.452 153 P HA 0.203 nan 4.420 nan 0.000 0.269 153 P C 0.127 177.460 177.300 0.055 0.000 1.215 153 P CA 0.242 63.365 63.100 0.039 0.000 0.780 153 P CB 0.520 32.249 31.700 0.047 0.000 0.898 162 V N -0.982 118.929 119.914 -0.004 0.000 3.177 162 V HA 0.726 4.846 4.120 -0.001 0.000 0.287 162 V C -0.728 175.352 176.094 -0.024 0.000 1.465 162 V CA -0.258 62.036 62.300 -0.010 0.000 1.020 162 V CB 2.439 34.262 31.823 0.001 0.000 1.152 162 V HN 0.185 nan 8.190 nan 0.000 0.448 163 S N 1.271 116.950 115.700 -0.034 0.000 2.873 163 S HA 0.661 5.131 4.470 -0.001 0.000 0.303 163 S C 0.077 174.652 174.600 -0.042 0.000 1.222 163 S CA -0.148 58.018 58.200 -0.058 0.000 0.923 163 S CB 2.172 65.321 63.200 -0.084 0.000 1.286 163 S HN 0.947 nan 8.310 nan 0.000 0.571 164 R N -0.560 119.910 120.500 -0.050 0.000 2.880 164 R HA 0.392 4.731 4.340 -0.001 0.000 0.156 164 R C 0.664 176.938 176.300 -0.042 0.000 0.884 164 R CA 0.135 56.213 56.100 -0.038 0.000 1.623 164 R CB -0.240 30.045 30.300 -0.026 0.000 1.687 164 R HN 0.590 nan 8.270 nan 0.000 0.538 165 G N 0.151 108.920 108.800 -0.050 0.000 2.356 165 G HA2 0.624 4.583 3.960 -0.001 0.000 0.322 165 G HA3 0.624 4.583 3.960 -0.001 0.000 0.322 165 G C -0.334 174.535 174.900 -0.052 0.000 1.125 165 G CA -0.412 44.659 45.100 -0.047 0.000 0.885 165 G HN 0.566 nan 8.290 nan 0.000 0.467 166 G N -1.214 107.560 108.800 -0.043 0.000 2.348 166 G HA2 0.457 4.416 3.960 -0.001 0.000 0.606 166 G HA3 0.457 4.416 3.960 -0.001 0.000 0.606 166 G C -0.466 174.412 174.900 -0.037 0.000 1.466 166 G CA -0.123 44.954 45.100 -0.039 0.000 0.950 166 G HN 2.066 nan 8.290 nan 0.000 0.657 167 C N 0.346 119.626 119.300 -0.032 0.000 3.362 167 C HA 0.706 5.165 4.460 -0.001 0.000 0.276 167 C C 1.016 175.979 174.990 -0.045 0.000 1.102 167 C CA -0.234 58.759 59.018 -0.041 0.000 1.361 167 C CB 0.394 28.107 27.740 -0.044 0.000 1.822 167 C HN 2.229 nan 8.230 nan 0.000 0.538 168 G N 3.577 112.352 108.800 -0.042 0.000 2.401 168 G HA2 0.269 4.228 3.960 -0.001 0.000 0.288 168 G HA3 0.269 4.228 3.960 -0.001 0.000 0.288 168 G C -0.257 174.616 174.900 -0.046 0.000 0.917 168 G CA 0.389 45.468 45.100 -0.034 0.000 1.610 168 G HN 0.814 nan 8.290 nan 0.000 0.439 169 N N 1.121 119.802 118.700 -0.032 0.000 2.321 169 N HA 0.329 5.068 4.740 -0.001 0.000 0.299 169 N C 0.197 175.725 175.510 0.030 0.000 1.048 169 N CA -0.498 52.526 53.050 -0.043 0.000 0.836 169 N CB 1.404 39.846 38.487 -0.075 0.000 1.269 169 N HN 0.224 nan 8.380 nan 0.000 0.486 170 T N 1.600 116.170 114.554 0.027 0.000 2.905 170 T HA 0.028 4.377 4.350 -0.001 0.000 0.299 170 T C 0.247 175.147 174.700 0.332 0.000 1.024 170 T CA 0.256 62.439 62.100 0.139 0.000 1.151 170 T CB 0.174 69.122 68.868 0.133 0.000 0.987 170 T HN 0.271 nan 8.240 nan 0.000 0.535 171 Q N 3.143 123.169 119.800 0.376 0.000 2.353 171 Q HA 0.364 4.704 4.340 -0.001 0.000 0.268 171 Q C -2.400 173.749 176.000 0.248 0.000 1.045 171 Q CA -2.284 53.775 55.803 0.427 0.000 0.811 171 Q CB 2.177 31.047 28.738 0.220 0.000 1.305 171 Q HN 0.437 nan 8.270 nan 0.000 0.447 172 P HA 0.012 nan 4.420 nan 0.000 0.271 172 P C -0.716 176.419 177.300 -0.276 0.000 1.218 172 P CA -0.254 62.481 63.100 -0.608 0.000 0.780 172 P CB 0.589 31.696 31.700 -0.988 0.000 0.901 173 T N 2.733 117.124 114.554 -0.272 0.000 2.855 173 T HA 0.353 4.702 4.350 -0.001 0.000 0.290 173 T C 0.801 175.414 174.700 -0.145 0.000 0.941 173 T CA -0.448 61.567 62.100 -0.142 0.000 1.030 173 T CB -0.816 67.992 68.868 -0.100 0.000 0.935 173 T HN 0.215 nan 8.240 nan 0.000 0.564 174 I N 2.754 123.269 120.570 -0.093 0.000 2.638 174 I HA 0.420 4.589 4.170 -0.001 0.000 0.286 174 I C 0.859 176.955 176.117 -0.035 0.000 1.088 174 I CA -0.524 60.733 61.300 -0.071 0.000 1.397 174 I CB 0.610 38.602 38.000 -0.014 0.000 1.414 174 I HN 0.439 nan 8.210 nan 0.000 0.566 175 R N 3.480 123.955 120.500 -0.041 0.000 2.855 175 R HA 0.458 4.797 4.340 -0.001 0.000 0.266 175 R C -1.109 175.173 176.300 -0.030 0.000 1.034 175 R CA -0.973 55.112 56.100 -0.025 0.000 0.944 175 R CB 2.120 32.402 30.300 -0.029 0.000 1.219 175 R HN 0.519 nan 8.270 nan 0.000 0.474 176 K N 1.160 121.544 120.400 -0.026 0.000 2.159 176 K HA 0.202 4.521 4.320 -0.001 0.000 0.266 176 K C -1.643 174.943 176.600 -0.023 0.000 0.975 176 K CA -0.302 55.962 56.287 -0.038 0.000 0.865 176 K CB 1.324 33.798 32.500 -0.043 0.000 1.087 176 K HN 0.602 nan 8.250 nan 0.000 0.446 177 D N 2.867 123.256 120.400 -0.018 0.000 2.616 177 D HA 0.340 4.979 4.640 -0.001 0.000 0.238 177 D C 0.508 176.816 176.300 0.012 0.000 1.354 177 D CA 0.316 54.315 54.000 -0.001 0.000 0.970 177 D CB 1.001 41.805 40.800 0.007 0.000 1.369 177 D HN 0.703 nan 8.370 nan 0.000 0.585 178 G N 3.131 111.937 108.800 0.009 0.000 2.672 178 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.332 178 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.332 178 G C 0.523 175.439 174.900 0.026 0.000 1.213 178 G CA 0.839 45.952 45.100 0.021 0.000 0.980 178 G HN 0.755 nan 8.290 nan 0.000 0.548 179 L N 0.538 121.805 121.223 0.074 0.000 3.141 179 L HA 0.537 4.876 4.340 -0.001 0.000 0.267 179 L C 0.435 177.413 176.870 0.180 0.000 1.281 179 L CA -0.124 54.777 54.840 0.102 0.000 1.037 179 L CB 0.503 42.670 42.059 0.180 0.000 1.407 179 L HN 0.235 nan 8.230 nan 0.000 0.566 180 K N 0.987 121.450 120.400 0.105 0.000 2.443 180 K HA 0.754 5.073 4.320 -0.001 0.000 0.251 180 K C -1.261 175.369 176.600 0.049 0.000 0.972 180 K CA -0.770 55.622 56.287 0.175 0.000 0.833 180 K CB 3.143 35.739 32.500 0.161 0.000 1.317 180 K HN -0.024 nan 8.250 nan 0.000 0.441 181 L N 2.311 123.586 121.223 0.085 0.000 2.349 181 L HA 0.363 4.702 4.340 -0.001 0.000 0.278 181 L C 0.269 177.153 176.870 0.024 0.000 0.996 181 L CA -0.820 54.030 54.840 0.016 0.000 0.825 181 L CB 1.623 43.676 42.059 -0.010 0.000 1.243 181 L HN 0.400 nan 8.230 nan 0.000 0.412 182 V N 1.437 121.338 119.914 -0.021 0.000 4.690 182 V HA 0.626 4.745 4.120 -0.001 0.000 0.267 182 V C 0.788 176.797 176.094 -0.142 0.000 1.088 182 V CA 0.101 62.369 62.300 -0.054 0.000 0.686 182 V CB 0.429 32.218 31.823 -0.057 0.000 1.152 182 V HN 0.942 nan 8.190 nan 0.000 0.353 183 G N 0.339 108.990 108.800 -0.249 0.000 2.681 183 G HA2 0.208 4.167 3.960 -0.001 0.000 0.210 183 G HA3 0.208 4.167 3.960 -0.001 0.000 0.210 183 G C -0.487 173.986 174.900 -0.711 0.000 3.399 183 G CA 0.070 44.842 45.100 -0.546 0.000 0.649 183 G HN 0.784 nan 8.290 nan 0.000 0.428 184 S N 1.623 117.043 115.700 -0.467 0.000 2.549 184 S HA 0.566 5.036 4.470 -0.001 0.000 0.283 184 S C -0.217 174.167 174.600 -0.361 0.000 1.320 184 S CA -0.045 57.980 58.200 -0.292 0.000 1.058 184 S CB 0.246 63.361 63.200 -0.142 0.000 0.882 184 S HN 0.478 nan 8.310 nan 0.000 0.498 185 W N 5.286 126.603 121.300 0.029 0.000 2.517 185 W HA 0.507 5.166 4.660 -0.001 0.000 0.301 185 W C 0.105 176.637 176.519 0.021 0.000 1.002 185 W CA -0.798 56.563 57.345 0.027 0.000 1.415 185 W CB 0.928 30.408 29.460 0.033 0.000 1.275 185 W HN 0.756 nan 8.180 nan 0.000 0.413 200 R N 1.575 122.190 120.500 0.191 0.000 2.566 200 R HA 0.554 4.893 4.340 -0.001 0.000 0.271 200 R C -1.178 175.181 176.300 0.099 0.000 1.071 200 R CA -0.453 55.768 56.100 0.201 0.000 0.915 200 R CB 2.671 33.208 30.300 0.394 0.000 1.228 200 R HN -0.110 nan 8.270 nan 0.000 0.449 201 V N 2.456 122.418 119.914 0.081 0.000 2.508 201 V HA 0.309 4.428 4.120 -0.001 0.000 0.281 201 V C 0.028 176.181 176.094 0.097 0.000 1.041 201 V CA -0.776 61.563 62.300 0.065 0.000 1.016 201 V CB 0.670 32.523 31.823 0.050 0.000 0.984 201 V HN 0.447 nan 8.190 nan 0.000 0.478 202 L N 4.815 126.105 121.223 0.112 0.000 2.312 202 L HA 0.294 4.633 4.340 -0.001 0.000 0.287 202 L C 0.971 177.921 176.870 0.133 0.000 1.091 202 L CA 0.713 55.638 54.840 0.142 0.000 0.846 202 L CB 0.460 42.617 42.059 0.163 0.000 1.219 202 L HN 0.959 nan 8.230 nan 0.000 0.439 203 S N 1.930 117.677 115.700 0.079 0.000 2.573 203 S HA -0.065 4.404 4.470 -0.001 0.000 0.297 203 S C 1.558 176.148 174.600 -0.016 0.000 1.280 203 S CA 0.165 58.377 58.200 0.019 0.000 1.061 203 S CB 0.440 63.639 63.200 -0.001 0.000 0.812 203 S HN 0.799 nan 8.310 nan 0.000 0.500 204 T N 4.438 118.897 114.554 -0.157 0.000 2.635 204 T HA -0.191 4.158 4.350 -0.001 0.000 0.267 204 T C 1.655 176.207 174.700 -0.246 0.000 1.040 204 T CA 1.845 63.677 62.100 -0.447 0.000 1.156 204 T CB -0.546 67.839 68.868 -0.804 0.000 0.863 204 T HN 0.872 nan 8.240 nan 0.000 0.430 205 E N 0.722 120.824 120.200 -0.163 0.000 2.118 205 E HA -0.197 4.153 4.350 -0.001 0.000 0.195 205 E C 2.200 178.778 176.600 -0.035 0.000 0.992 205 E CA 0.899 57.246 56.400 -0.087 0.000 0.804 205 E CB -0.059 29.603 29.700 -0.063 0.000 0.741 205 E HN 0.384 nan 8.360 nan 0.000 0.458 206 E N 0.124 120.315 120.200 -0.015 0.000 2.515 206 E HA -0.144 4.205 4.350 -0.001 0.000 0.201 206 E C 1.434 178.063 176.600 0.050 0.000 1.071 206 E CA 0.550 56.959 56.400 0.015 0.000 0.880 206 E CB 0.107 29.823 29.700 0.026 0.000 0.828 206 E HN 0.448 nan 8.360 nan 0.000 0.540 207 I N -0.117 120.498 120.570 0.075 0.000 3.939 207 I HA -0.078 4.091 4.170 -0.001 0.000 0.313 207 I C 2.175 178.406 176.117 0.191 0.000 1.274 207 I CA -0.102 61.308 61.300 0.184 0.000 1.301 207 I CB 0.080 38.234 38.000 0.256 0.000 1.105 207 I HN 0.086 nan 8.210 nan 0.000 0.427 208 L N 1.913 123.178 121.223 0.068 0.000 2.042 208 L HA -0.214 4.125 4.340 -0.001 0.000 0.210 208 L C 2.068 178.944 176.870 0.011 0.000 1.076 208 L CA 2.136 57.003 54.840 0.045 0.000 0.749 208 L CB -0.608 41.454 42.059 0.004 0.000 0.893 208 L HN 0.360 nan 8.230 nan 0.000 0.432 209 N N 0.684 119.366 118.700 -0.030 0.000 2.120 209 N HA -0.195 4.545 4.740 -0.001 0.000 0.188 209 N C 1.839 177.206 175.510 -0.239 0.000 1.024 209 N CA 1.534 54.501 53.050 -0.139 0.000 0.852 209 N CB -0.402 38.040 38.487 -0.074 0.000 1.003 209 N HN 0.340 nan 8.380 nan 0.000 0.424 210 I N 0.262 120.802 120.570 -0.050 0.000 2.202 210 I HA -0.153 4.016 4.170 -0.001 0.000 0.242 210 I C 1.981 178.064 176.117 -0.058 0.000 1.091 210 I CA 0.976 62.264 61.300 -0.019 0.000 1.368 210 I CB -1.172 36.859 38.000 0.053 0.000 1.058 210 I HN -0.041 nan 8.210 nan 0.000 0.410 211 F N 1.112 121.022 119.950 -0.066 0.000 2.367 211 F HA -0.075 4.452 4.527 -0.001 0.000 0.298 211 F C 2.452 178.200 175.800 -0.086 0.000 1.094 211 F CA 0.973 58.938 58.000 -0.058 0.000 1.409 211 F CB -0.222 38.738 39.000 -0.066 0.000 1.064 211 F HN -0.031 nan 8.300 nan 0.000 0.528 212 K N -0.825 119.573 120.400 -0.003 0.000 2.442 212 K HA -0.146 4.173 4.320 -0.001 0.000 0.198 212 K C 1.505 178.086 176.600 -0.030 0.000 1.042 212 K CA 0.775 57.023 56.287 -0.064 0.000 0.958 212 K CB 0.016 32.445 32.500 -0.118 0.000 0.766 212 K HN 0.267 nan 8.250 nan 0.000 0.474 213 H N 0.136 119.213 119.070 0.012 0.000 2.279 213 H HA 0.045 4.600 4.556 -0.001 0.000 0.327 213 H C 1.604 176.913 175.328 -0.031 0.000 1.122 213 H CA 0.962 56.998 56.048 -0.019 0.000 1.618 213 H CB -0.127 29.621 29.762 -0.024 0.000 1.495 213 H HN -0.112 nan 8.280 nan 0.000 0.592 214 I N -0.408 120.220 120.570 0.097 0.000 4.908 214 I HA -0.350 3.820 4.170 -0.001 0.000 0.038 214 I C 0.646 176.774 176.117 0.018 0.000 0.635 214 I CA 1.403 62.726 61.300 0.038 0.000 0.201 214 I CB -1.878 36.202 38.000 0.134 0.000 0.318 214 I HN 0.433 nan 8.210 nan 0.000 0.150 215 S N -1.137 114.559 115.700 -0.007 0.000 2.605 215 S HA 0.501 4.970 4.470 -0.001 0.000 0.279 215 S C 0.447 174.837 174.600 -0.351 0.000 1.166 215 S CA -0.073 58.059 58.200 -0.114 0.000 0.975 215 S CB 1.473 64.647 63.200 -0.043 0.000 1.111 215 S HN 0.394 nan 8.310 nan 0.000 0.465 216 V N 4.096 123.748 119.914 -0.436 0.000 2.357 216 V HA -0.163 3.956 4.120 -0.001 0.000 0.257 216 V C 1.153 176.886 176.094 -0.602 0.000 1.082 216 V CA 1.669 63.578 62.300 -0.652 0.000 1.078 216 V CB -0.447 31.174 31.823 -0.337 0.000 0.663 216 V HN 0.679 nan 8.190 nan 0.000 0.455 217 K N -0.008 120.241 120.400 -0.251 0.000 2.484 217 K HA 0.340 4.660 4.320 -0.001 0.000 0.226 217 K C -0.392 176.243 176.600 0.059 0.000 1.031 217 K CA -0.057 56.201 56.287 -0.049 0.000 1.026 217 K CB 1.374 33.860 32.500 -0.022 0.000 1.412 217 K HN 0.226 nan 8.250 nan 0.000 0.492 218 D N 0.314 120.851 120.400 0.227 0.000 1.903 218 D HA 0.118 4.758 4.640 -0.001 0.000 0.387 218 D C 0.299 176.774 176.300 0.292 0.000 1.124 218 D CA 0.051 54.194 54.000 0.238 0.000 1.078 218 D CB 0.231 41.127 40.800 0.161 0.000 1.882 218 D HN 0.329 nan 8.370 nan 0.000 0.529 219 F N 0.039 120.085 119.950 0.161 0.000 2.184 219 F HA -0.403 4.123 4.527 -0.001 0.000 0.319 219 F C 1.720 177.678 175.800 0.263 0.000 0.485 219 F CA 2.821 60.924 58.000 0.172 0.000 0.912 219 F CB -1.365 37.664 39.000 0.048 0.000 4.132 219 F HN 0.009 nan 8.300 nan 0.000 0.137 220 T N -0.448 114.482 114.554 0.627 0.000 2.946 220 T HA -0.097 4.253 4.350 -0.001 0.000 0.271 220 T C 1.526 176.366 174.700 0.233 0.000 1.104 220 T CA 1.828 64.147 62.100 0.365 0.000 1.114 220 T CB -0.688 68.351 68.868 0.286 0.000 0.867 220 T HN 0.493 nan 8.240 nan 0.000 0.513 221 S N 1.906 117.747 115.700 0.235 0.000 2.436 221 S HA 0.158 4.628 4.470 -0.001 0.000 0.228 221 S C 0.998 175.700 174.600 0.171 0.000 1.014 221 S CA 0.399 58.698 58.200 0.165 0.000 0.950 221 S CB -0.331 62.952 63.200 0.138 0.000 0.784 221 S HN 0.687 nan 8.310 nan 0.000 0.504 222 L N -0.771 120.597 121.223 0.241 0.000 3.100 222 L HA 0.768 5.107 4.340 -0.001 0.000 0.259 222 L C 0.707 177.707 176.870 0.216 0.000 1.316 222 L CA -0.338 54.678 54.840 0.293 0.000 0.992 222 L CB -0.352 41.914 42.059 0.345 0.000 1.390 222 L HN 0.110 nan 8.230 nan 0.000 0.550 223 G N -0.917 107.927 108.800 0.074 0.000 2.225 223 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.264 223 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.264 223 G C -0.183 174.490 174.900 -0.379 0.000 1.060 223 G CA 0.284 45.308 45.100 -0.127 0.000 0.833 223 G HN 0.361 nan 8.290 nan 0.000 0.498 224 F N -0.639 119.287 119.950 -0.040 0.000 2.613 224 F HA 0.688 5.215 4.527 -0.001 0.000 0.342 224 F C 0.511 176.292 175.800 -0.032 0.000 1.066 224 F CA -1.064 56.856 58.000 -0.133 0.000 1.002 224 F CB 1.865 40.616 39.000 -0.416 0.000 1.319 224 F HN 0.091 nan 8.300 nan 0.000 0.495 225 N N 0.033 118.879 118.700 0.243 0.000 2.346 225 N HA 0.117 4.857 4.740 -0.001 0.000 0.289 225 N C 0.282 175.973 175.510 0.301 0.000 1.027 225 N CA -0.319 52.870 53.050 0.230 0.000 0.864 225 N CB 1.462 40.051 38.487 0.169 0.000 1.370 225 N HN 0.683 nan 8.380 nan 0.000 0.481 226 E N 2.099 122.510 120.200 0.352 0.000 2.273 226 E HA -0.145 4.205 4.350 -0.001 0.000 0.198 226 E C 0.534 177.268 176.600 0.224 0.000 1.002 226 E CA 1.446 58.049 56.400 0.338 0.000 0.828 226 E CB 0.291 30.076 29.700 0.143 0.000 0.747 226 E HN 0.555 nan 8.360 nan 0.000 0.491 227 V N -1.866 118.209 119.914 0.269 0.000 3.359 227 V HA 0.076 4.195 4.120 -0.001 0.000 0.245 227 V C 1.712 178.260 176.094 0.757 0.000 1.247 227 V CA 0.176 62.735 62.300 0.432 0.000 1.145 227 V CB -0.386 31.652 31.823 0.358 0.000 0.906 227 V HN 0.158 nan 8.190 nan 0.000 0.464 228 F N 1.899 122.022 119.950 0.290 0.000 2.317 228 F HA 0.173 4.699 4.527 -0.001 0.000 0.290 228 F C 1.207 177.218 175.800 0.352 0.000 1.075 228 F CA 0.749 58.902 58.000 0.255 0.000 1.380 228 F CB 0.529 39.615 39.000 0.143 0.000 1.093 228 F HN 0.292 nan 8.300 nan 0.000 0.524 229 S N 0.503 116.510 115.700 0.511 0.000 2.381 229 S HA 0.393 4.862 4.470 -0.001 0.000 0.193 229 S C -0.779 173.902 174.600 0.134 0.000 1.287 229 S CA -0.903 57.542 58.200 0.408 0.000 1.199 229 S CB 0.588 63.970 63.200 0.304 0.000 1.214 229 S HN 0.050 nan 8.310 nan 0.000 0.444 230 R N 2.377 122.762 120.500 -0.193 0.000 2.390 230 R HA 0.296 4.635 4.340 -0.001 0.000 0.291 230 R C -2.004 173.921 176.300 -0.625 0.000 1.070 230 R CA -1.948 53.773 56.100 -0.631 0.000 1.014 230 R CB 0.460 30.237 30.300 -0.872 0.000 1.007 230 R HN 0.314 nan 8.270 nan 0.000 0.466 231 P HA -0.190 nan 4.420 nan 0.000 0.222 231 P C 0.579 177.680 177.300 -0.333 0.000 1.147 231 P CA 1.140 63.835 63.100 -0.674 0.000 0.790 231 P CB 0.109 31.451 31.700 -0.596 0.000 0.780 232 E N -1.855 118.206 120.200 -0.232 0.000 2.401 232 E HA -0.184 4.165 4.350 -0.001 0.000 0.199 232 E C 1.069 177.675 176.600 0.010 0.000 1.023 232 E CA 0.710 57.041 56.400 -0.115 0.000 0.859 232 E CB -0.811 28.805 29.700 -0.141 0.000 0.780 232 E HN 0.286 nan 8.360 nan 0.000 0.523 233 W N 0.338 121.593 121.300 -0.076 0.000 2.872 233 W HA 0.339 4.998 4.660 -0.001 0.000 0.266 233 W C 1.810 178.300 176.519 -0.048 0.000 1.276 233 W CA -0.357 56.970 57.345 -0.029 0.000 1.471 233 W CB -0.416 29.043 29.460 -0.002 0.000 1.071 233 W HN 0.100 nan 8.180 nan 0.000 0.619 234 M N 0.437 120.053 119.600 0.026 0.000 2.426 234 M HA -0.149 4.331 4.480 -0.001 0.000 0.261 234 M C 0.121 176.505 176.300 0.140 0.000 1.068 234 M CA 1.312 56.556 55.300 -0.094 0.000 1.066 234 M CB -0.489 31.901 32.600 -0.350 0.000 1.399 234 M HN -0.241 nan 8.290 nan 0.000 0.449 235 I N -2.042 118.593 120.570 0.109 0.000 2.493 235 I HA 0.417 4.586 4.170 -0.001 0.000 0.298 235 I C -0.851 175.341 176.117 0.126 0.000 0.998 235 I CA -0.815 60.565 61.300 0.132 0.000 1.137 235 I CB 1.153 39.175 38.000 0.036 0.000 1.310 235 I HN -0.164 nan 8.210 nan 0.000 0.445 236 L N 4.996 126.278 121.223 0.099 0.000 2.272 236 L HA 0.525 4.864 4.340 -0.001 0.000 0.289 236 L C 0.864 177.749 176.870 0.025 0.000 1.032 236 L CA -0.102 54.788 54.840 0.083 0.000 0.810 236 L CB 1.560 43.671 42.059 0.086 0.000 1.205 236 L HN 1.042 nan 8.230 nan 0.000 0.422 237 T N -1.576 113.001 114.554 0.038 0.000 3.074 237 T HA -0.031 4.318 4.350 -0.001 0.000 0.182 237 T C 0.712 175.415 174.700 0.005 0.000 0.747 237 T CA -0.175 61.935 62.100 0.017 0.000 1.884 237 T CB -0.068 68.822 68.868 0.037 0.000 2.388 237 T HN 0.499 nan 8.240 nan 0.000 0.421 238 C N 3.725 123.034 119.300 0.015 0.000 2.709 238 C HA 0.496 4.955 4.460 -0.001 0.000 0.388 238 C C 0.477 175.451 174.990 -0.027 0.000 1.307 238 C CA -1.074 57.948 59.018 0.007 0.000 1.466 238 C CB -2.740 25.023 27.740 0.038 0.000 2.218 238 C HN 0.568 nan 8.230 nan 0.000 0.599 239 L N 10.277 131.471 121.223 -0.048 0.000 2.331 239 L HA 0.563 4.903 4.340 -0.001 0.000 0.278 239 L C -2.051 174.767 176.870 -0.087 0.000 1.106 239 L CA -1.759 53.033 54.840 -0.081 0.000 0.824 239 L CB 0.631 42.620 42.059 -0.116 0.000 1.142 239 L HN 0.440 nan 8.230 nan 0.000 0.443 240 P HA 0.094 nan 4.420 nan 0.000 0.276 240 P C -1.092 176.256 177.300 0.079 0.000 1.230 240 P CA -0.144 62.897 63.100 -0.097 0.000 0.776 240 P CB 1.095 32.556 31.700 -0.399 0.000 0.888 241 V N 6.073 126.093 119.914 0.177 0.000 2.304 241 V HA 0.239 4.358 4.120 -0.001 0.000 0.269 241 V C -1.853 174.311 176.094 0.118 0.000 1.036 241 V CA -1.972 60.406 62.300 0.130 0.000 0.840 241 V CB 0.920 32.776 31.823 0.055 0.000 1.036 241 V HN 0.544 nan 8.190 nan 0.000 0.466 242 P HA 0.288 nan 4.420 nan 0.000 0.276 242 P C -2.530 174.586 177.300 -0.308 0.000 1.230 242 P CA -1.456 61.451 63.100 -0.323 0.000 0.776 242 P CB 0.817 32.481 31.700 -0.059 0.000 0.888 243 P HA 0.185 nan 4.420 nan 0.000 0.286 243 P C -2.015 175.174 177.300 -0.184 0.000 1.293 243 P CA -1.450 61.488 63.100 -0.270 0.000 0.770 243 P CB -0.720 30.797 31.700 -0.305 0.000 1.206 244 P HA -0.088 nan 4.420 nan 0.000 0.212 244 P C -1.269 175.965 177.300 -0.109 0.000 1.178 244 P CA 2.660 65.695 63.100 -0.107 0.000 0.915 244 P CB -2.100 29.548 31.700 -0.087 0.000 0.788 245 P HA -0.100 nan 4.420 nan 0.000 0.229 245 P C 0.546 177.792 177.300 -0.090 0.000 1.147 245 P CA 1.133 64.174 63.100 -0.097 0.000 0.766 245 P CB -0.535 31.103 31.700 -0.103 0.000 0.775 246 V N -1.501 118.352 119.914 -0.101 0.000 3.578 246 V HA 0.167 4.287 4.120 -0.001 0.000 0.290 246 V C 0.973 177.028 176.094 -0.064 0.000 1.376 246 V CA 0.143 62.397 62.300 -0.077 0.000 1.083 246 V CB -0.743 31.028 31.823 -0.086 0.000 0.911 246 V HN 0.256 nan 8.190 nan 0.000 0.433 247 R N -0.951 119.504 120.500 -0.074 0.000 2.610 247 R HA 0.256 4.596 4.340 -0.001 0.000 0.174 247 R C -3.398 172.846 176.300 -0.092 0.000 1.305 247 R CA -0.719 55.336 56.100 -0.075 0.000 1.130 247 R CB -0.636 29.625 30.300 -0.064 0.000 1.433 247 R HN 0.215 nan 8.270 nan 0.000 0.735 248 P HA 0.342 nan 4.420 nan 0.000 0.341 248 P C 0.110 177.344 177.300 -0.111 0.000 1.332 248 P CA -0.113 62.931 63.100 -0.094 0.000 0.769 248 P CB 0.657 32.309 31.700 -0.080 0.000 1.726 249 S N -1.701 113.933 115.700 -0.110 0.000 3.248 249 S HA 0.347 4.816 4.470 -0.001 0.000 0.173 249 S C 0.214 174.730 174.600 -0.139 0.000 0.749 249 S CA -0.324 57.796 58.200 -0.134 0.000 0.898 249 S CB -1.058 62.062 63.200 -0.133 0.000 1.027 249 S HN 0.350 nan 8.310 nan 0.000 0.781 250 I N 2.818 123.306 120.570 -0.136 0.000 7.707 250 I HA -0.191 3.978 4.170 -0.001 0.000 0.126 250 I C 0.369 176.344 176.117 -0.236 0.000 1.635 250 I CA 0.188 61.402 61.300 -0.143 0.000 2.313 250 I CB -0.735 37.211 38.000 -0.091 0.000 3.314 250 I HN 0.725 nan 8.210 nan 0.000 0.245 251 S N 5.972 121.504 115.700 -0.281 0.000 2.655 251 S HA 0.595 5.064 4.470 -0.001 0.000 0.265 251 S C 0.655 175.039 174.600 -0.361 0.000 1.240 251 S CA -0.182 57.710 58.200 -0.513 0.000 0.986 251 S CB 0.932 63.883 63.200 -0.414 0.000 0.985 251 S HN 0.535 nan 8.310 nan 0.000 0.562 252 F N 0.176 120.122 119.950 -0.007 0.000 2.656 252 F HA 0.280 4.806 4.527 -0.002 0.000 0.291 252 F C 1.583 177.381 175.800 -0.005 0.000 1.122 252 F CA 0.029 58.025 58.000 -0.006 0.000 1.427 252 F CB -1.084 37.915 39.000 -0.002 0.000 1.125 252 F HN 0.717 nan 8.300 nan 0.000 0.583 253 N N -0.928 117.875 118.700 0.170 0.000 2.419 253 N HA 0.110 4.849 4.740 -0.001 0.000 0.216 253 N C -0.112 175.423 175.510 0.041 0.000 1.118 253 N CA 0.424 53.546 53.050 0.120 0.000 0.850 253 N CB 0.312 38.895 38.487 0.160 0.000 1.292 253 N HN -0.058 nan 8.380 nan 0.000 0.467 254 E N -0.199 119.999 120.200 -0.004 0.000 2.262 254 E HA -0.118 4.231 4.350 -0.001 0.000 0.255 254 E C -1.130 175.462 176.600 -0.014 0.000 1.132 254 E CA 0.496 56.882 56.400 -0.023 0.000 0.743 254 E CB -1.752 27.939 29.700 -0.016 0.000 1.254 254 E HN 0.321 nan 8.360 nan 0.000 0.409 255 S N 0.007 115.697 115.700 -0.017 0.000 2.814 255 S HA 0.269 4.738 4.470 -0.001 0.000 0.193 255 S C -0.929 173.666 174.600 -0.009 0.000 0.786 255 S CA 0.229 58.423 58.200 -0.010 0.000 0.913 255 S CB -0.032 63.172 63.200 0.006 0.000 1.543 255 S HN 0.367 nan 8.310 nan 0.000 0.552 256 Q N 0.171 119.946 119.800 -0.042 0.000 2.633 256 Q HA 0.548 4.888 4.340 -0.001 0.000 0.289 256 Q C 0.390 176.317 176.000 -0.121 0.000 0.940 256 Q CA -0.662 55.111 55.803 -0.050 0.000 0.785 256 Q CB 0.814 29.545 28.738 -0.011 0.000 1.467 256 Q HN 0.156 nan 8.270 nan 0.000 0.401 257 R N 0.675 121.113 120.500 -0.103 0.000 2.070 257 R HA 0.246 4.585 4.340 -0.001 0.000 0.227 257 R C 0.281 176.431 176.300 -0.249 0.000 1.147 257 R CA 1.113 57.136 56.100 -0.127 0.000 0.924 257 R CB -0.326 29.940 30.300 -0.057 0.000 0.827 257 R HN 0.914 nan 8.270 nan 0.000 0.431 258 G N 1.624 110.234 108.800 -0.318 0.000 2.326 258 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.286 258 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.286 258 G C -0.397 174.350 174.900 -0.255 0.000 1.096 258 G CA -0.229 44.547 45.100 -0.541 0.000 1.003 258 G HN 0.140 nan 8.290 nan 0.000 0.503 259 E N 0.098 120.201 120.200 -0.161 0.000 2.410 259 E HA 0.222 4.572 4.350 -0.001 0.000 0.255 259 E C 0.886 177.267 176.600 -0.364 0.000 1.194 259 E CA -0.540 55.684 56.400 -0.293 0.000 0.955 259 E CB 0.585 30.030 29.700 -0.425 0.000 0.988 259 E HN 0.447 nan 8.360 nan 0.000 0.461 260 D N 0.017 120.161 120.400 -0.426 0.000 2.393 260 D HA -0.062 4.578 4.640 -0.001 0.000 0.246 260 D C 0.248 176.328 176.300 -0.367 0.000 1.275 260 D CA -0.086 53.730 54.000 -0.306 0.000 0.979 260 D CB 0.781 41.450 40.800 -0.219 0.000 1.101 260 D HN 0.237 nan 8.370 nan 0.000 0.505 261 D N -0.020 120.303 120.400 -0.128 0.000 2.360 261 D HA 0.016 4.655 4.640 -0.001 0.000 0.210 261 D C 1.409 177.733 176.300 0.040 0.000 1.047 261 D CA 0.069 54.084 54.000 0.025 0.000 0.854 261 D CB 0.476 41.308 40.800 0.054 0.000 0.936 261 D HN 0.186 nan 8.370 nan 0.000 0.514 262 L N -0.551 120.652 121.223 -0.033 0.000 2.609 262 L HA 0.120 4.459 4.340 -0.001 0.000 0.230 262 L C 1.948 178.845 176.870 0.046 0.000 1.064 262 L CA 0.674 55.525 54.840 0.018 0.000 0.873 262 L CB 0.266 42.313 42.059 -0.019 0.000 1.139 262 L HN -0.204 nan 8.230 nan 0.000 0.490 263 T N -0.552 113.960 114.554 -0.070 0.000 3.051 263 T HA -0.068 4.281 4.350 -0.001 0.000 0.269 263 T C 1.536 176.237 174.700 0.003 0.000 1.127 263 T CA 1.170 63.227 62.100 -0.071 0.000 1.107 263 T CB -0.367 68.397 68.868 -0.173 0.000 0.898 263 T HN 0.226 nan 8.240 nan 0.000 0.517 264 F N 0.838 120.802 119.950 0.024 0.000 2.367 264 F HA 0.083 4.609 4.527 -0.002 0.000 0.298 264 F C 2.451 178.250 175.800 -0.002 0.000 1.094 264 F CA 0.326 58.330 58.000 0.006 0.000 1.409 264 F CB 0.102 39.103 39.000 0.002 0.000 1.064 264 F HN 0.035 nan 8.300 nan 0.000 0.528 265 K N 0.977 121.512 120.400 0.225 0.000 2.044 265 K HA -0.044 4.275 4.320 -0.001 0.000 0.204 265 K C 1.703 178.378 176.600 0.124 0.000 1.049 265 K CA 0.859 57.252 56.287 0.177 0.000 0.945 265 K CB -0.312 32.380 32.500 0.319 0.000 0.724 265 K HN 0.101 nan 8.250 nan 0.000 0.440 266 L N 0.481 121.785 121.223 0.135 0.000 2.447 266 L HA -0.153 4.187 4.340 -0.001 0.000 0.225 266 L C 2.002 178.887 176.870 0.025 0.000 1.148 266 L CA 1.007 55.866 54.840 0.031 0.000 0.808 266 L CB -0.310 41.773 42.059 0.039 0.000 0.928 266 L HN 0.276 nan 8.230 nan 0.000 0.448 267 A N -0.782 122.077 122.820 0.064 0.000 1.862 267 A HA -0.125 4.195 4.320 -0.001 0.000 0.211 267 A C 2.012 179.602 177.584 0.010 0.000 1.220 267 A CA 1.025 53.094 52.037 0.055 0.000 0.616 267 A CB -0.441 18.630 19.000 0.118 0.000 0.878 267 A HN 0.249 nan 8.150 nan 0.000 0.453 268 D N 0.139 120.525 120.400 -0.023 0.000 2.311 268 D HA -0.138 4.501 4.640 -0.001 0.000 0.212 268 D C 1.690 177.975 176.300 -0.026 0.000 0.972 268 D CA 1.713 55.630 54.000 -0.138 0.000 0.887 268 D CB -0.093 40.472 40.800 -0.393 0.000 0.915 268 D HN 0.642 nan 8.370 nan 0.000 0.497 269 I N -2.406 118.177 120.570 0.023 0.000 3.081 269 I HA 0.057 4.226 4.170 -0.001 0.000 0.274 269 I C 2.073 178.188 176.117 -0.004 0.000 1.178 269 I CA 0.312 61.650 61.300 0.063 0.000 1.460 269 I CB -0.366 37.634 38.000 0.001 0.000 1.137 269 I HN -0.179 nan 8.210 nan 0.000 0.443 270 L N 0.590 121.799 121.223 -0.024 0.000 2.313 270 L HA 0.031 4.371 4.340 -0.001 0.000 0.214 270 L C 2.417 179.264 176.870 -0.039 0.000 1.119 270 L CA 1.118 55.934 54.840 -0.040 0.000 0.809 270 L CB -0.249 41.787 42.059 -0.039 0.000 0.933 270 L HN 0.249 nan 8.230 nan 0.000 0.449 271 K N -0.504 119.884 120.400 -0.021 0.000 2.228 271 K HA -0.048 4.272 4.320 -0.001 0.000 0.202 271 K C 1.801 178.388 176.600 -0.022 0.000 1.051 271 K CA 0.930 57.202 56.287 -0.025 0.000 0.960 271 K CB 0.075 32.565 32.500 -0.017 0.000 0.743 271 K HN 0.420 nan 8.250 nan 0.000 0.458 272 A N 0.398 123.217 122.820 -0.002 0.000 2.081 272 A HA -0.043 4.276 4.320 -0.001 0.000 0.214 272 A C 1.638 179.190 177.584 -0.054 0.000 1.158 272 A CA 0.940 52.961 52.037 -0.027 0.000 0.724 272 A CB -0.305 18.678 19.000 -0.028 0.000 0.826 272 A HN 0.310 nan 8.150 nan 0.000 0.463 273 N N -0.124 118.545 118.700 -0.053 0.000 2.250 273 N HA 0.050 4.789 4.740 -0.001 0.000 0.181 273 N C 1.453 176.921 175.510 -0.069 0.000 1.017 273 N CA 0.877 53.889 53.050 -0.063 0.000 0.866 273 N CB -0.242 38.207 38.487 -0.064 0.000 0.985 273 N HN 0.437 nan 8.380 nan 0.000 0.429 274 I N -0.393 120.133 120.570 -0.074 0.000 2.286 274 I HA -0.266 3.903 4.170 -0.001 0.000 0.248 274 I C 2.261 178.329 176.117 -0.083 0.000 1.115 274 I CA 0.805 62.054 61.300 -0.085 0.000 1.392 274 I CB -0.231 37.706 38.000 -0.105 0.000 1.065 274 I HN 0.237 nan 8.210 nan 0.000 0.418 275 S N 0.908 116.563 115.700 -0.075 0.000 2.348 275 S HA -0.142 4.327 4.470 -0.001 0.000 0.221 275 S C 1.403 175.949 174.600 -0.090 0.000 1.033 275 S CA 1.223 59.378 58.200 -0.075 0.000 1.010 275 S CB -0.159 63.003 63.200 -0.063 0.000 0.891 275 S HN 0.256 nan 8.310 nan 0.000 0.442 276 L N 1.695 122.865 121.223 -0.088 0.000 2.939 276 L HA 0.407 4.746 4.340 -0.001 0.000 0.239 276 L C 1.410 178.212 176.870 -0.114 0.000 1.325 276 L CA 0.557 55.341 54.840 -0.093 0.000 1.170 276 L CB -0.331 41.682 42.059 -0.075 0.000 1.538 276 L HN 0.362 nan 8.230 nan 0.000 0.452 277 E N -1.751 118.355 120.200 -0.155 0.000 2.475 277 E HA 0.078 4.427 4.350 -0.001 0.000 0.205 277 E C 1.112 177.379 176.600 -0.555 0.000 0.822 277 E CA 0.567 56.831 56.400 -0.226 0.000 1.240 277 E CB 0.632 30.286 29.700 -0.077 0.000 1.222 277 E HN 0.345 nan 8.360 nan 0.000 0.581 278 T N 1.207 115.549 114.554 -0.354 0.000 3.081 278 T HA 0.194 4.543 4.350 -0.001 0.000 0.250 278 T C 1.509 176.070 174.700 -0.231 0.000 1.100 278 T CA 0.144 62.044 62.100 -0.333 0.000 1.038 278 T CB 0.285 69.084 68.868 -0.115 0.000 0.962 278 T HN 0.003 nan 8.240 nan 0.000 0.516 279 L N 0.595 121.701 121.223 -0.195 0.000 2.627 279 L HA 0.249 4.589 4.340 -0.001 0.000 0.232 279 L C 1.665 178.450 176.870 -0.142 0.000 1.150 279 L CA 0.631 55.391 54.840 -0.134 0.000 0.917 279 L CB -0.140 41.864 42.059 -0.091 0.000 1.104 279 L HN 0.311 nan 8.230 nan 0.000 0.445 280 E N -1.431 118.637 120.200 -0.220 0.000 3.635 280 E HA -0.002 4.347 4.350 -0.001 0.000 0.183 280 E C 0.501 177.026 176.600 -0.125 0.000 1.263 280 E CA -0.076 56.224 56.400 -0.166 0.000 1.427 280 E CB 0.211 29.823 29.700 -0.147 0.000 1.724 280 E HN 0.506 nan 8.360 nan 0.000 0.520 281 H N 0.943 119.998 119.070 -0.025 0.000 3.262 281 H HA 0.348 4.903 4.556 -0.001 0.000 0.270 281 H C -0.299 175.014 175.328 -0.025 0.000 1.431 281 H CA 0.379 56.413 56.048 -0.023 0.000 1.237 281 H CB -0.822 28.927 29.762 -0.020 0.000 1.443 281 H HN 0.075 nan 8.280 nan 0.000 0.609 282 N N 0.716 119.411 118.700 -0.007 0.000 3.403 282 N HA 0.111 4.850 4.740 -0.001 0.000 0.154 282 N C -0.558 174.926 175.510 -0.043 0.000 1.072 282 N CA 0.235 53.280 53.050 -0.007 0.000 2.513 282 N CB -0.108 38.374 38.487 -0.009 0.000 1.437 282 N HN 0.750 nan 8.380 nan 0.000 0.744 283 G N 1.403 110.177 108.800 -0.043 0.000 3.106 283 G HA2 -0.086 3.873 3.960 -0.001 0.000 0.352 283 G HA3 -0.086 3.873 3.960 -0.001 0.000 0.352 283 G C 0.153 175.006 174.900 -0.077 0.000 0.563 283 G CA 0.103 45.168 45.100 -0.059 0.000 0.945 283 G HN 0.551 nan 8.290 nan 0.000 0.470 284 A N 4.560 127.325 122.820 -0.092 0.000 2.386 284 A HA 0.761 5.080 4.320 -0.001 0.000 0.248 284 A C -0.975 176.533 177.584 -0.127 0.000 1.082 284 A CA -0.474 51.502 52.037 -0.100 0.000 0.789 284 A CB 0.442 19.380 19.000 -0.104 0.000 1.025 284 A HN 0.966 nan 8.150 nan 0.000 0.490 285 P HA 0.331 nan 4.420 nan 0.000 0.220 285 P C 0.290 177.571 177.300 -0.032 0.000 1.828 285 P CA -0.224 62.828 63.100 -0.081 0.000 1.159 285 P CB 0.058 31.747 31.700 -0.018 0.000 1.758 286 H N 1.056 120.053 119.070 -0.122 0.000 1.452 286 H HA -0.251 4.304 4.556 -0.001 0.000 0.090 286 H C 0.007 175.155 175.328 -0.300 0.000 0.836 286 H CA 1.348 57.276 56.048 -0.200 0.000 1.901 286 H CB -1.139 28.565 29.762 -0.096 0.000 2.257 286 H HN 0.553 nan 8.280 nan 0.000 0.961 287 H N 0.541 119.707 119.070 0.159 0.000 2.534 287 H HA 0.530 5.086 4.556 -0.001 0.000 0.250 287 H C 0.700 176.055 175.328 0.044 0.000 1.256 287 H CA 0.654 56.745 56.048 0.071 0.000 1.000 287 H CB 0.264 30.061 29.762 0.058 0.000 1.801 287 H HN 0.529 nan 8.280 nan 0.000 0.569 288 A N 0.338 123.244 122.820 0.144 0.000 2.195 288 A HA 0.085 4.404 4.320 -0.001 0.000 0.210 288 A C 1.996 179.621 177.584 0.069 0.000 1.165 288 A CA -0.061 52.026 52.037 0.084 0.000 0.806 288 A CB -0.166 18.866 19.000 0.054 0.000 0.847 288 A HN 0.475 nan 8.150 nan 0.000 0.482 289 I N -0.724 119.907 120.570 0.102 0.000 3.083 289 I HA -0.132 4.038 4.170 -0.001 0.000 0.273 289 I C 1.978 178.136 176.117 0.068 0.000 1.297 289 I CA 1.127 62.473 61.300 0.076 0.000 1.452 289 I CB 0.121 38.173 38.000 0.086 0.000 1.078 289 I HN 0.307 nan 8.210 nan 0.000 0.484 290 E N 1.138 121.384 120.200 0.077 0.000 2.075 290 E HA -0.138 4.211 4.350 -0.001 0.000 0.190 290 E C 1.669 178.262 176.600 -0.011 0.000 0.969 290 E CA 0.971 57.370 56.400 -0.000 0.000 0.815 290 E CB -0.057 29.609 29.700 -0.057 0.000 0.776 290 E HN 0.373 nan 8.360 nan 0.000 0.457 291 E N -0.560 119.643 120.200 0.004 0.000 2.526 291 E HA -0.134 4.215 4.350 -0.001 0.000 0.205 291 E C 0.739 177.318 176.600 -0.035 0.000 1.104 291 E CA 0.485 56.880 56.400 -0.009 0.000 0.899 291 E CB 0.046 29.748 29.700 0.004 0.000 0.838 291 E HN 0.254 nan 8.360 nan 0.000 0.564 292 A N 0.002 122.799 122.820 -0.037 0.000 2.211 292 A HA 0.041 4.360 4.320 -0.001 0.000 0.208 292 A C 1.722 179.258 177.584 -0.080 0.000 1.250 292 A CA -0.247 51.753 52.037 -0.062 0.000 0.935 292 A CB 0.463 19.437 19.000 -0.044 0.000 0.982 292 A HN -0.021 nan 8.150 nan 0.000 0.490 293 E N 1.180 121.343 120.200 -0.061 0.000 2.016 293 E HA -0.125 4.224 4.350 -0.001 0.000 0.190 293 E C 2.368 178.920 176.600 -0.080 0.000 0.985 293 E CA 1.776 58.136 56.400 -0.067 0.000 0.802 293 E CB -0.641 29.027 29.700 -0.054 0.000 0.762 293 E HN 0.653 nan 8.360 nan 0.000 0.448 294 S N 1.112 116.775 115.700 -0.060 0.000 2.402 294 S HA -0.104 4.365 4.470 -0.001 0.000 0.229 294 S C 1.767 176.280 174.600 -0.145 0.000 1.021 294 S CA 0.514 58.690 58.200 -0.041 0.000 0.974 294 S CB -0.216 62.993 63.200 0.015 0.000 0.800 294 S HN 0.093 nan 8.310 nan 0.000 0.484 295 L N 0.787 121.876 121.223 -0.224 0.000 2.645 295 L HA 0.485 4.824 4.340 -0.001 0.000 0.235 295 L C 1.194 177.754 176.870 -0.517 0.000 1.150 295 L CA 0.483 55.054 54.840 -0.448 0.000 0.911 295 L CB -0.600 41.275 42.059 -0.307 0.000 1.077 295 L HN 0.500 nan 8.230 nan 0.000 0.438 296 L N -2.676 118.350 121.223 -0.329 0.000 2.948 296 L HA 0.127 4.466 4.340 -0.001 0.000 0.259 296 L C 1.937 178.706 176.870 -0.168 0.000 1.136 296 L CA 0.165 54.855 54.840 -0.250 0.000 0.959 296 L CB 0.196 42.169 42.059 -0.144 0.000 1.370 296 L HN 0.197 nan 8.230 nan 0.000 0.552 297 Q N 1.464 121.191 119.800 -0.123 0.000 1.856 297 Q HA -0.188 4.151 4.340 -0.001 0.000 0.233 297 Q C 0.510 176.542 176.000 0.054 0.000 0.995 297 Q CA 2.118 57.916 55.803 -0.009 0.000 0.877 297 Q CB -0.531 28.241 28.738 0.056 0.000 0.937 297 Q HN 0.408 nan 8.270 nan 0.000 0.423 298 F N 0.646 120.575 119.950 -0.035 0.000 2.444 298 F HA 0.219 4.745 4.527 -0.001 0.000 0.360 298 F C 0.453 176.097 175.800 -0.260 0.000 1.106 298 F CA -0.362 57.618 58.000 -0.034 0.000 1.170 298 F CB 0.630 39.633 39.000 0.005 0.000 1.113 298 F HN 0.340 nan 8.300 nan 0.000 0.521 299 H N 2.896 121.748 119.070 -0.363 0.000 2.333 299 H HA -0.097 4.459 4.556 -0.001 0.000 0.302 299 H C 2.114 177.527 175.328 0.141 0.000 1.075 299 H CA 1.375 57.436 56.048 0.023 0.000 1.348 299 H CB -0.505 29.245 29.762 -0.021 0.000 1.393 299 H HN 0.564 nan 8.280 nan 0.000 0.509 300 V N 1.405 121.401 119.914 0.137 0.000 2.418 300 V HA -0.387 3.732 4.120 -0.001 0.000 0.258 300 V C 2.516 178.692 176.094 0.137 0.000 1.088 300 V CA 1.732 64.074 62.300 0.069 0.000 1.091 300 V CB -1.011 30.793 31.823 -0.031 0.000 0.669 300 V HN 0.638 nan 8.190 nan 0.000 0.461 301 A N -1.080 121.840 122.820 0.167 0.000 1.821 301 A HA -0.267 4.053 4.320 -0.001 0.000 0.215 301 A C 2.405 180.110 177.584 0.202 0.000 1.216 301 A CA 2.530 54.667 52.037 0.165 0.000 0.615 301 A CB -1.391 17.725 19.000 0.194 0.000 0.862 301 A HN 0.407 nan 8.150 nan 0.000 0.450 302 T N -1.730 112.985 114.554 0.268 0.000 2.918 302 T HA -0.203 4.146 4.350 -0.001 0.000 0.271 302 T C 1.540 176.370 174.700 0.217 0.000 1.104 302 T CA 1.768 64.002 62.100 0.223 0.000 1.114 302 T CB -0.557 68.475 68.868 0.272 0.000 0.855 302 T HN 0.535 nan 8.240 nan 0.000 0.518 303 Y N 0.529 120.908 120.300 0.133 0.000 2.207 303 Y HA -0.099 4.451 4.550 -0.001 0.000 0.287 303 Y C 2.102 178.035 175.900 0.055 0.000 1.156 303 Y CA 1.650 59.802 58.100 0.086 0.000 1.182 303 Y CB -0.208 38.295 38.460 0.071 0.000 0.979 303 Y HN 0.230 nan 8.280 nan 0.000 0.521 304 M N -0.835 118.827 119.600 0.104 0.000 2.394 304 M HA 0.025 4.505 4.480 -0.001 0.000 0.266 304 M C -0.460 175.848 176.300 0.013 0.000 1.098 304 M CA 1.024 56.327 55.300 0.005 0.000 1.149 304 M CB 0.417 33.075 32.600 0.097 0.000 1.369 304 M HN 0.134 nan 8.290 nan 0.000 0.450 305 D N -0.398 120.030 120.400 0.047 0.000 2.763 305 D HA 0.128 4.768 4.640 -0.001 0.000 0.235 305 D C -1.262 175.054 176.300 0.027 0.000 1.334 305 D CA -0.230 53.792 54.000 0.037 0.000 0.950 305 D CB 0.819 41.668 40.800 0.083 0.000 1.433 305 D HN -0.130 nan 8.370 nan 0.000 0.580 306 N N 3.710 122.410 118.700 0.001 0.000 2.920 306 N HA 0.125 4.864 4.740 -0.001 0.000 0.310 306 N C -1.321 174.173 175.510 -0.028 0.000 1.384 306 N CA -0.044 53.003 53.050 -0.006 0.000 1.083 306 N CB 0.197 38.684 38.487 0.000 0.000 1.389 306 N HN 0.375 nan 8.380 nan 0.000 0.521 307 D N 1.054 121.438 120.400 -0.026 0.000 2.365 307 D HA 0.348 4.988 4.640 -0.001 0.000 0.235 307 D C -0.345 175.936 176.300 -0.031 0.000 1.368 307 D CA -0.150 53.829 54.000 -0.035 0.000 1.001 307 D CB 0.835 41.616 40.800 -0.032 0.000 1.364 307 D HN 0.183 nan 8.370 nan 0.000 0.577 308 I N 0.078 120.620 120.570 -0.047 0.000 3.850 308 I HA 0.574 4.743 4.170 -0.001 0.000 0.272 308 I C 0.838 176.926 176.117 -0.047 0.000 1.109 308 I CA -1.132 60.142 61.300 -0.042 0.000 1.282 308 I CB 0.958 38.929 38.000 -0.048 0.000 1.337 308 I HN 0.233 nan 8.210 nan 0.000 0.438 309 A N 0.054 122.846 122.820 -0.046 0.000 2.500 309 A HA 0.613 4.932 4.320 -0.001 0.000 0.267 309 A C 0.813 178.365 177.584 -0.052 0.000 1.290 309 A CA 0.357 52.369 52.037 -0.042 0.000 0.928 309 A CB -0.817 18.165 19.000 -0.030 0.000 1.066 309 A HN 0.809 nan 8.150 nan 0.000 0.516 310 G N -0.476 108.277 108.800 -0.079 0.000 3.142 310 G HA2 0.428 4.388 3.960 -0.001 0.000 0.178 310 G HA3 0.428 4.388 3.960 -0.001 0.000 0.178 310 G C 0.247 175.082 174.900 -0.108 0.000 1.941 310 G CA 0.131 45.169 45.100 -0.103 0.000 0.902 310 G HN 0.448 nan 8.290 nan 0.000 0.517 311 Q N -1.109 118.592 119.800 -0.166 0.000 2.687 311 Q HA 0.328 4.667 4.340 -0.001 0.000 0.305 311 Q C -1.723 174.180 176.000 -0.162 0.000 1.006 311 Q CA -1.352 54.373 55.803 -0.131 0.000 0.763 311 Q CB 2.260 30.945 28.738 -0.089 0.000 1.506 311 Q HN 0.320 nan 8.270 nan 0.000 0.459 312 P HA 0.030 nan 4.420 nan 0.000 0.219 312 P C -0.630 176.640 177.300 -0.049 0.000 1.231 312 P CA 0.680 63.742 63.100 -0.064 0.000 0.673 312 P CB 0.350 32.032 31.700 -0.029 0.000 0.768 313 Q N -3.287 116.517 119.800 0.007 0.000 2.975 313 Q HA 0.654 4.993 4.340 -0.001 0.000 0.324 313 Q C -2.003 174.028 176.000 0.053 0.000 0.830 313 Q CA -0.449 55.391 55.803 0.061 0.000 0.818 313 Q CB 0.711 29.486 28.738 0.062 0.000 1.440 313 Q HN 0.610 nan 8.270 nan 0.000 0.475 314 A N 0.040 122.893 122.820 0.055 0.000 2.483 314 A HA 0.754 5.074 4.320 -0.001 0.000 0.286 314 A C -0.343 177.239 177.584 -0.004 0.000 1.207 314 A CA -0.618 51.434 52.037 0.024 0.000 0.764 314 A CB 0.364 19.380 19.000 0.028 0.000 1.341 314 A HN 0.700 nan 8.150 nan 0.000 0.428 315 L N -1.071 120.136 121.223 -0.026 0.000 1.953 315 L HA -0.094 4.246 4.340 -0.001 0.000 0.246 315 L C 0.808 177.619 176.870 -0.099 0.000 1.050 315 L CA 2.072 56.883 54.840 -0.048 0.000 1.041 315 L CB -0.202 41.823 42.059 -0.056 0.000 0.983 315 L HN 0.884 nan 8.230 nan 0.000 0.478 316 Q N -0.117 119.576 119.800 -0.179 0.000 2.387 316 Q HA -0.175 4.164 4.340 -0.001 0.000 0.287 316 Q C -0.129 175.738 176.000 -0.222 0.000 1.367 316 Q CA 0.688 56.261 55.803 -0.384 0.000 0.690 316 Q CB -1.452 26.792 28.738 -0.824 0.000 1.090 316 Q HN 0.375 nan 8.270 nan 0.000 0.376 317 K N -0.810 119.536 120.400 -0.090 0.000 3.003 317 K HA -0.237 4.082 4.320 -0.001 0.000 0.257 317 K C -0.073 176.564 176.600 0.062 0.000 0.958 317 K CA 1.403 57.693 56.287 0.006 0.000 0.707 317 K CB -1.338 31.193 32.500 0.052 0.000 1.279 317 K HN 0.598 nan 8.250 nan 0.000 0.479 318 S N -3.166 112.562 115.700 0.047 0.000 4.006 318 S HA 0.632 5.102 4.470 -0.001 0.000 0.292 318 S C -0.338 174.283 174.600 0.036 0.000 1.069 318 S CA -0.498 57.743 58.200 0.069 0.000 1.237 318 S CB 0.847 64.149 63.200 0.170 0.000 1.706 318 S HN 0.349 nan 8.310 nan 0.000 0.569 319 G N 1.862 110.693 108.800 0.052 0.000 2.400 319 G HA2 0.635 4.595 3.960 -0.001 0.000 0.333 319 G HA3 0.635 4.595 3.960 -0.001 0.000 0.333 319 G C -1.047 173.870 174.900 0.029 0.000 1.143 319 G CA -0.517 44.600 45.100 0.029 0.000 0.914 319 G HN 0.528 nan 8.290 nan 0.000 0.480 320 R N 2.253 122.761 120.500 0.014 0.000 2.599 320 R HA 0.545 4.884 4.340 -0.001 0.000 0.295 320 R C -2.869 173.434 176.300 0.005 0.000 0.963 320 R CA -1.594 54.513 56.100 0.012 0.000 0.883 320 R CB 0.626 30.931 30.300 0.008 0.000 1.171 320 R HN 0.294 nan 8.270 nan 0.000 0.450 321 P HA 0.076 nan 4.420 nan 0.000 0.273 321 P C -0.359 176.955 177.300 0.024 0.000 1.250 321 P CA -0.719 62.389 63.100 0.014 0.000 0.793 321 P CB 0.444 32.145 31.700 0.002 0.000 1.011 322 V N -0.100 119.838 119.914 0.040 0.000 2.427 322 V HA 0.158 4.277 4.120 -0.001 0.000 0.268 322 V C 1.443 177.552 176.094 0.025 0.000 1.046 322 V CA -0.459 61.871 62.300 0.050 0.000 0.970 322 V CB 0.690 32.562 31.823 0.081 0.000 1.001 322 V HN 0.649 nan 8.190 nan 0.000 0.476 323 K N 4.476 124.881 120.400 0.007 0.000 2.026 323 K HA -0.089 4.230 4.320 -0.001 0.000 0.208 323 K C 0.661 177.238 176.600 -0.039 0.000 1.048 323 K CA 1.742 58.019 56.287 -0.017 0.000 0.929 323 K CB -0.623 31.864 32.500 -0.021 0.000 0.713 323 K HN 2.099 nan 8.250 nan 0.000 0.439 324 S N -0.266 115.394 115.700 -0.066 0.000 3.092 324 S HA -0.104 4.366 4.470 -0.001 0.000 0.857 324 S C 0.876 175.387 174.600 -0.148 0.000 1.014 324 S CA 0.076 58.196 58.200 -0.133 0.000 1.283 324 S CB -1.515 61.630 63.200 -0.091 0.000 0.910 324 S HN 0.266 nan 8.310 nan 0.000 0.245 325 I N 1.947 122.377 120.570 -0.233 0.000 2.191 325 I HA -0.316 3.853 4.170 -0.001 0.000 0.248 325 I C 2.810 178.864 176.117 -0.105 0.000 1.061 325 I CA 2.532 63.732 61.300 -0.167 0.000 1.329 325 I CB -1.528 36.357 38.000 -0.192 0.000 1.024 325 I HN 0.845 nan 8.210 nan 0.000 0.423 326 R N 1.347 121.791 120.500 -0.093 0.000 2.080 326 R HA -0.158 4.181 4.340 -0.001 0.000 0.236 326 R C 2.289 178.531 176.300 -0.096 0.000 1.137 326 R CA 2.015 58.057 56.100 -0.097 0.000 0.943 326 R CB -0.359 29.905 30.300 -0.061 0.000 0.846 326 R HN 0.403 nan 8.270 nan 0.000 0.431 327 A N 1.200 123.974 122.820 -0.078 0.000 2.070 327 A HA -0.095 4.224 4.320 -0.001 0.000 0.220 327 A C 2.123 179.667 177.584 -0.066 0.000 1.159 327 A CA 0.833 52.828 52.037 -0.069 0.000 0.656 327 A CB -0.427 18.539 19.000 -0.056 0.000 0.800 327 A HN 0.307 nan 8.150 nan 0.000 0.453 328 R N -0.774 119.685 120.500 -0.069 0.000 2.193 328 R HA -0.045 4.294 4.340 -0.001 0.000 0.229 328 R C 1.135 177.401 176.300 -0.056 0.000 1.110 328 R CA 1.307 57.372 56.100 -0.059 0.000 0.988 328 R CB -0.255 30.009 30.300 -0.059 0.000 0.871 328 R HN 0.594 nan 8.270 nan 0.000 0.458 329 L N -0.650 120.531 121.223 -0.071 0.000 2.749 329 L HA 0.182 4.521 4.340 -0.001 0.000 0.242 329 L C 0.597 177.420 176.870 -0.078 0.000 1.103 329 L CA -0.244 54.554 54.840 -0.070 0.000 0.906 329 L CB 0.082 42.090 42.059 -0.085 0.000 1.228 329 L HN -0.183 nan 8.230 nan 0.000 0.517 330 K N 2.601 122.949 120.400 -0.087 0.000 2.484 330 K HA 0.128 4.447 4.320 -0.001 0.000 0.280 330 K C 0.495 177.047 176.600 -0.080 0.000 1.013 330 K CA 0.155 56.387 56.287 -0.092 0.000 1.029 330 K CB 1.033 33.478 32.500 -0.091 0.000 0.902 330 K HN 0.098 nan 8.250 nan 0.000 0.481 331 G N 2.350 111.097 108.800 -0.088 0.000 2.559 331 G HA2 0.042 4.002 3.960 -0.001 0.000 0.235 331 G HA3 0.042 4.002 3.960 -0.001 0.000 0.235 331 G C -0.325 174.533 174.900 -0.071 0.000 1.266 331 G CA 0.042 45.096 45.100 -0.077 0.000 0.847 331 G HN 0.645 nan 8.290 nan 0.000 0.583 332 K N 0.528 120.897 120.400 -0.052 0.000 6.900 332 K HA -0.217 4.102 4.320 -0.001 0.000 0.714 332 K C 1.062 177.638 176.600 -0.040 0.000 2.527 332 K CA 1.211 57.472 56.287 -0.043 0.000 1.868 332 K CB -0.363 32.104 32.500 -0.055 0.000 2.325 332 K HN 0.941 nan 8.250 nan 0.000 0.231 333 E N -1.081 119.101 120.200 -0.029 0.000 4.876 333 E HA -0.273 4.076 4.350 -0.001 0.000 0.174 333 E C 0.839 177.422 176.600 -0.029 0.000 1.304 333 E CA 2.268 58.651 56.400 -0.027 0.000 2.277 333 E CB -1.941 27.741 29.700 -0.031 0.000 1.860 333 E HN 0.954 nan 8.360 nan 0.000 0.382 334 G N 1.015 109.793 108.800 -0.037 0.000 2.491 334 G HA2 0.140 4.099 3.960 -0.001 0.000 0.238 334 G HA3 0.140 4.099 3.960 -0.001 0.000 0.238 334 G C 0.757 175.638 174.900 -0.030 0.000 1.277 334 G CA 0.677 45.754 45.100 -0.039 0.000 0.851 334 G HN 0.250 nan 8.290 nan 0.000 0.573 335 R N 1.028 121.512 120.500 -0.026 0.000 2.261 335 R HA -0.321 4.018 4.340 -0.001 0.000 0.241 335 R C 2.590 178.884 176.300 -0.009 0.000 1.113 335 R CA 2.856 58.946 56.100 -0.016 0.000 0.908 335 R CB -0.650 29.642 30.300 -0.013 0.000 0.938 335 R HN 0.779 nan 8.270 nan 0.000 0.427 336 I N -1.969 118.595 120.570 -0.011 0.000 2.032 336 I HA -0.303 3.867 4.170 -0.001 0.000 0.231 336 I C 2.268 178.386 176.117 0.002 0.000 1.035 336 I CA 1.911 63.211 61.300 -0.001 0.000 1.312 336 I CB -0.683 37.313 38.000 -0.006 0.000 1.041 336 I HN 0.200 nan 8.210 nan 0.000 0.390 337 R N 1.151 121.647 120.500 -0.007 0.000 2.339 337 R HA 0.015 4.354 4.340 -0.001 0.000 0.199 337 R C 1.553 177.852 176.300 -0.002 0.000 1.018 337 R CA 0.841 56.941 56.100 -0.001 0.000 1.036 337 R CB -0.031 30.259 30.300 -0.016 0.000 0.899 337 R HN 0.767 nan 8.270 nan 0.000 0.473 338 G N -1.538 107.259 108.800 -0.005 0.000 2.799 338 G HA2 0.004 3.964 3.960 -0.001 0.000 0.201 338 G HA3 0.004 3.964 3.960 -0.001 0.000 0.201 338 G C 0.414 175.313 174.900 -0.002 0.000 1.142 338 G CA -0.268 44.828 45.100 -0.006 0.000 0.910 338 G HN 0.204 nan 8.290 nan 0.000 0.710 339 N N -0.460 118.240 118.700 0.000 0.000 2.036 339 N HA 0.244 4.983 4.740 -0.001 0.000 0.228 339 N C 1.256 176.770 175.510 0.007 0.000 1.368 339 N CA -0.033 53.018 53.050 0.002 0.000 0.846 339 N CB 0.915 39.400 38.487 -0.003 0.000 1.145 339 N HN 0.213 nan 8.380 nan 0.000 0.502 340 L N -0.672 120.557 121.223 0.010 0.000 2.547 340 L HA 0.407 4.747 4.340 -0.001 0.000 0.218 340 L C -0.024 176.857 176.870 0.019 0.000 1.048 340 L CA 0.607 55.456 54.840 0.015 0.000 0.859 340 L CB 0.337 42.407 42.059 0.018 0.000 1.128 340 L HN -0.031 nan 8.230 nan 0.000 0.483 341 M N 0.673 120.284 119.600 0.019 0.000 2.389 341 M HA 0.381 4.860 4.480 -0.001 0.000 0.206 341 M C 0.064 176.378 176.300 0.022 0.000 0.976 341 M CA -0.047 55.267 55.300 0.023 0.000 0.648 341 M CB 0.513 33.131 32.600 0.030 0.000 1.474 341 M HN 0.024 nan 8.290 nan 0.000 0.398 342 G N 1.414 110.226 108.800 0.020 0.000 3.099 342 G HA2 0.708 4.668 3.960 -0.001 0.000 0.151 342 G HA3 0.708 4.668 3.960 -0.001 0.000 0.151 342 G C -0.505 174.407 174.900 0.021 0.000 1.265 342 G CA -0.360 44.752 45.100 0.020 0.000 0.981 342 G HN 0.386 nan 8.290 nan 0.000 0.601 343 K N -0.389 120.027 120.400 0.028 0.000 2.444 343 K HA 0.438 4.758 4.320 -0.001 0.000 0.252 343 K C -0.563 176.059 176.600 0.037 0.000 0.993 343 K CA -0.779 55.524 56.287 0.027 0.000 0.847 343 K CB 2.537 35.052 32.500 0.026 0.000 1.340 343 K HN 0.255 nan 8.250 nan 0.000 0.446 344 R N 0.975 121.490 120.500 0.025 0.000 2.590 344 R HA 0.197 4.537 4.340 -0.001 0.000 0.274 344 R C -0.072 176.245 176.300 0.028 0.000 1.061 344 R CA -0.252 55.863 56.100 0.024 0.000 1.081 344 R CB 0.395 30.698 30.300 0.004 0.000 0.984 344 R HN 0.415 nan 8.270 nan 0.000 0.448 345 V N -1.446 118.490 119.914 0.035 0.000 3.078 345 V HA 0.406 4.526 4.120 -0.001 0.000 0.311 345 V C -0.511 175.576 176.094 -0.012 0.000 1.138 345 V CA -1.299 61.026 62.300 0.042 0.000 1.007 345 V CB 2.232 34.135 31.823 0.133 0.000 1.045 345 V HN 0.518 nan 8.190 nan 0.000 0.432 346 D N 0.750 121.123 120.400 -0.045 0.000 2.380 346 D HA 0.429 5.068 4.640 -0.001 0.000 0.254 346 D C 0.275 176.550 176.300 -0.043 0.000 1.288 346 D CA 0.046 53.921 54.000 -0.209 0.000 1.008 346 D CB -0.051 40.436 40.800 -0.521 0.000 1.099 346 D HN 0.749 nan 8.370 nan 0.000 0.537 347 F N -0.898 119.041 119.950 -0.018 0.000 2.866 347 F HA -0.257 4.270 4.527 -0.001 0.000 0.254 347 F C 0.456 176.238 175.800 -0.030 0.000 1.009 347 F CA 0.135 58.132 58.000 -0.005 0.000 0.907 347 F CB -1.623 37.389 39.000 0.020 0.000 0.859 347 F HN 0.181 nan 8.300 nan 0.000 0.842 348 S N -0.535 115.190 115.700 0.042 0.000 2.651 348 S HA 0.999 5.468 4.470 -0.001 0.000 0.279 348 S C -0.589 174.016 174.600 0.008 0.000 1.148 348 S CA -0.360 57.795 58.200 -0.075 0.000 0.837 348 S CB 2.572 65.584 63.200 -0.314 0.000 1.138 348 S HN 1.160 nan 8.310 nan 0.000 0.478 349 A N 0.603 123.457 122.820 0.056 0.000 2.556 349 A HA 0.926 5.246 4.320 -0.001 0.000 0.294 349 A C -0.850 176.857 177.584 0.204 0.000 1.091 349 A CA -0.918 51.219 52.037 0.166 0.000 0.704 349 A CB 1.679 20.896 19.000 0.362 0.000 1.300 349 A HN 0.896 nan 8.150 nan 0.000 0.406 350 R N -0.317 120.292 120.500 0.183 0.000 2.673 350 R HA 0.791 5.130 4.340 -0.001 0.000 0.281 350 R C -1.196 175.187 176.300 0.139 0.000 0.991 350 R CA -0.172 56.071 56.100 0.237 0.000 0.896 350 R CB 2.608 32.972 30.300 0.106 0.000 1.201 350 R HN 0.898 nan 8.270 nan 0.000 0.457 351 T N 0.193 114.873 114.554 0.210 0.000 2.731 351 T HA 0.212 4.561 4.350 -0.001 0.000 0.300 351 T C -1.038 173.736 174.700 0.123 0.000 1.283 351 T CA -0.676 61.424 62.100 -0.000 0.000 1.005 351 T CB 1.291 69.961 68.868 -0.330 0.000 1.420 351 T HN 0.186 nan 8.240 nan 0.000 0.503 352 V N 2.649 122.600 119.914 0.061 0.000 2.540 352 V HA 0.178 4.297 4.120 -0.001 0.000 0.297 352 V C 0.626 176.838 176.094 0.197 0.000 1.024 352 V CA -0.093 62.271 62.300 0.108 0.000 1.105 352 V CB -0.619 31.240 31.823 0.060 0.000 0.938 352 V HN 0.629 nan 8.190 nan 0.000 0.482 353 I N 3.003 123.740 120.570 0.278 0.000 2.823 353 I HA 0.648 4.817 4.170 -0.001 0.000 0.290 353 I C 0.263 176.638 176.117 0.431 0.000 1.091 353 I CA 0.313 61.859 61.300 0.411 0.000 1.365 353 I CB 1.103 39.388 38.000 0.475 0.000 1.427 353 I HN 0.482 nan 8.210 nan 0.000 0.583 354 S N 1.843 117.644 115.700 0.169 0.000 2.546 354 S HA 0.604 5.073 4.470 -0.001 0.000 0.272 354 S C -0.222 173.914 174.600 -0.772 0.000 1.140 354 S CA -0.623 57.351 58.200 -0.376 0.000 0.920 354 S CB 1.883 64.974 63.200 -0.181 0.000 1.083 354 S HN 1.066 nan 8.310 nan 0.000 0.476 355 G N 1.033 108.963 108.800 -1.450 0.000 2.355 355 G HA2 0.449 4.409 3.960 -0.001 0.000 0.276 355 G HA3 0.449 4.409 3.960 -0.001 0.000 0.276 355 G C -0.984 173.706 174.900 -0.350 0.000 1.198 355 G CA -0.072 44.468 45.100 -0.933 0.000 0.876 355 G HN 0.528 nan 8.290 nan 0.000 0.478 356 D N 2.769 123.081 120.400 -0.148 0.000 2.432 356 D HA 0.307 4.946 4.640 -0.001 0.000 0.265 356 D C -1.146 175.144 176.300 -0.017 0.000 1.160 356 D CA -2.111 51.850 54.000 -0.065 0.000 0.911 356 D CB 1.670 42.454 40.800 -0.027 0.000 1.052 356 D HN 0.154 nan 8.370 nan 0.000 0.508 357 P HA -0.052 nan 4.420 nan 0.000 0.234 357 P C 0.045 177.344 177.300 -0.003 0.000 1.162 357 P CA 0.478 63.570 63.100 -0.013 0.000 0.759 357 P CB 0.427 32.105 31.700 -0.037 0.000 0.813 358 N N -0.834 117.884 118.700 0.029 0.000 2.291 358 N HA 0.158 4.897 4.740 -0.001 0.000 0.244 358 N C -0.078 175.480 175.510 0.080 0.000 1.216 358 N CA -0.244 52.854 53.050 0.080 0.000 0.879 358 N CB 0.463 39.033 38.487 0.138 0.000 1.167 358 N HN 0.154 nan 8.380 nan 0.000 0.515 359 L N 0.650 121.905 121.223 0.054 0.000 2.358 359 L HA 0.396 4.735 4.340 -0.001 0.000 0.268 359 L C 0.501 177.403 176.870 0.053 0.000 1.032 359 L CA -0.369 54.501 54.840 0.050 0.000 0.805 359 L CB 1.126 43.207 42.059 0.037 0.000 1.253 359 L HN -0.106 nan 8.230 nan 0.000 0.452 360 E N 0.547 120.776 120.200 0.048 0.000 2.345 360 E HA 0.073 4.423 4.350 -0.001 0.000 0.259 360 E C 0.671 177.291 176.600 0.033 0.000 1.117 360 E CA -0.232 56.195 56.400 0.045 0.000 0.913 360 E CB 1.021 30.742 29.700 0.036 0.000 1.057 360 E HN 0.568 nan 8.360 nan 0.000 0.432 361 L N 1.886 123.117 121.223 0.013 0.000 1.994 361 L HA -0.172 4.167 4.340 -0.001 0.000 0.208 361 L C 1.185 178.017 176.870 -0.063 0.000 1.071 361 L CA 2.116 56.921 54.840 -0.058 0.000 0.745 361 L CB -0.324 41.651 42.059 -0.139 0.000 0.892 361 L HN 0.508 nan 8.230 nan 0.000 0.431 362 D N -1.052 119.300 120.400 -0.081 0.000 2.413 362 D HA 0.011 4.650 4.640 -0.001 0.000 0.237 362 D C 0.370 176.643 176.300 -0.046 0.000 1.171 362 D CA -0.047 53.851 54.000 -0.170 0.000 0.839 362 D CB -0.130 40.578 40.800 -0.153 0.000 0.950 362 D HN 0.517 nan 8.370 nan 0.000 0.499 363 Q N -0.744 119.101 119.800 0.076 0.000 2.576 363 Q HA 0.631 4.970 4.340 -0.001 0.000 0.249 363 Q C -1.072 174.998 176.000 0.117 0.000 1.041 363 Q CA -1.257 54.602 55.803 0.094 0.000 0.928 363 Q CB 2.855 31.615 28.738 0.037 0.000 1.302 363 Q HN 0.013 nan 8.270 nan 0.000 0.504 364 V N 0.671 120.546 119.914 -0.064 0.000 2.925 364 V HA 0.308 4.427 4.120 -0.001 0.000 0.252 364 V C -0.856 175.140 176.094 -0.164 0.000 0.913 364 V CA -0.291 61.812 62.300 -0.329 0.000 0.933 364 V CB 1.019 32.543 31.823 -0.498 0.000 1.039 364 V HN 0.811 nan 8.190 nan 0.000 0.507 365 G N 4.796 113.549 108.800 -0.078 0.000 2.307 365 G HA2 0.413 4.372 3.960 -0.001 0.000 0.271 365 G HA3 0.413 4.372 3.960 -0.001 0.000 0.271 365 G C -0.379 174.589 174.900 0.113 0.000 1.191 365 G CA 0.133 45.243 45.100 0.018 0.000 1.024 365 G HN 0.749 nan 8.290 nan 0.000 0.441 366 V N 6.757 126.733 119.914 0.103 0.000 2.417 366 V HA 0.320 4.440 4.120 -0.001 0.000 0.291 366 V C -1.758 174.363 176.094 0.045 0.000 1.024 366 V CA -1.740 60.671 62.300 0.185 0.000 0.861 366 V CB 2.191 34.131 31.823 0.194 0.000 0.985 366 V HN 0.643 nan 8.190 nan 0.000 0.436 367 P HA -0.012 nan 4.420 nan 0.000 0.264 367 P C 0.415 177.699 177.300 -0.026 0.000 1.183 367 P CA 0.173 63.235 63.100 -0.063 0.000 0.763 367 P CB 0.966 32.579 31.700 -0.146 0.000 0.807 368 K N 2.479 122.855 120.400 -0.040 0.000 2.148 368 K HA -0.120 4.199 4.320 -0.001 0.000 0.204 368 K C 1.972 178.620 176.600 0.081 0.000 1.050 368 K CA 1.763 58.046 56.287 -0.007 0.000 0.942 368 K CB -0.141 32.324 32.500 -0.059 0.000 0.724 368 K HN 0.521 nan 8.250 nan 0.000 0.446 369 S N 0.224 115.948 115.700 0.040 0.000 2.428 369 S HA -0.086 4.383 4.470 -0.001 0.000 0.230 369 S C 1.921 176.560 174.600 0.064 0.000 1.014 369 S CA 0.594 58.827 58.200 0.056 0.000 0.957 369 S CB -0.266 62.947 63.200 0.021 0.000 0.784 369 S HN 0.294 nan 8.310 nan 0.000 0.499 370 I N 1.920 122.516 120.570 0.043 0.000 2.202 370 I HA -0.062 4.108 4.170 -0.001 0.000 0.242 370 I C 2.923 179.109 176.117 0.116 0.000 1.091 370 I CA 1.238 62.574 61.300 0.059 0.000 1.368 370 I CB -0.442 37.573 38.000 0.025 0.000 1.058 370 I HN 0.449 nan 8.210 nan 0.000 0.410 371 A N -0.303 122.615 122.820 0.163 0.000 2.168 371 A HA -0.151 4.169 4.320 -0.001 0.000 0.215 371 A C 2.173 179.965 177.584 0.347 0.000 1.152 371 A CA 1.109 53.298 52.037 0.253 0.000 0.716 371 A CB -0.378 18.805 19.000 0.304 0.000 0.794 371 A HN 0.294 nan 8.150 nan 0.000 0.465 372 K N -0.665 119.920 120.400 0.307 0.000 2.365 372 K HA -0.045 4.274 4.320 -0.001 0.000 0.197 372 K C 1.736 178.302 176.600 -0.057 0.000 1.042 372 K CA 1.415 57.910 56.287 0.346 0.000 0.987 372 K CB 0.097 32.789 32.500 0.319 0.000 0.779 372 K HN 0.711 nan 8.250 nan 0.000 0.484 373 T N -1.262 113.281 114.554 -0.019 0.000 3.046 373 T HA 0.139 4.488 4.350 -0.001 0.000 0.242 373 T C 0.663 175.356 174.700 -0.011 0.000 1.018 373 T CA -0.265 61.816 62.100 -0.032 0.000 1.131 373 T CB -0.115 68.763 68.868 0.017 0.000 0.904 373 T HN -0.142 nan 8.240 nan 0.000 0.459 374 L N 2.898 124.152 121.223 0.053 0.000 2.439 374 L HA 0.637 4.977 4.340 -0.001 0.000 0.261 374 L C 0.006 176.937 176.870 0.102 0.000 1.153 374 L CA -0.333 54.604 54.840 0.162 0.000 0.808 374 L CB 0.292 42.474 42.059 0.206 0.000 1.126 374 L HN 0.263 nan 8.230 nan 0.000 0.460 375 T N -1.523 113.116 114.554 0.142 0.000 3.335 375 T HA 0.284 4.633 4.350 -0.001 0.000 0.321 375 T C -1.084 173.590 174.700 -0.043 0.000 0.960 375 T CA -0.493 61.644 62.100 0.061 0.000 1.034 375 T CB 0.152 69.071 68.868 0.084 0.000 1.040 375 T HN 0.487 nan 8.240 nan 0.000 0.454 376 Y N 4.896 125.145 120.300 -0.085 0.000 2.404 376 Y HA 0.462 5.011 4.550 -0.001 0.000 0.344 376 Y C -2.668 173.185 175.900 -0.078 0.000 0.995 376 Y CA -2.364 55.661 58.100 -0.125 0.000 1.201 376 Y CB 1.094 39.512 38.460 -0.070 0.000 1.151 376 Y HN 0.390 nan 8.280 nan 0.000 0.517 377 P HA 0.047 nan 4.420 nan 0.000 0.273 377 P C -1.161 175.825 177.300 -0.523 0.000 1.319 377 P CA 0.158 62.978 63.100 -0.466 0.000 0.885 377 P CB 0.419 31.855 31.700 -0.439 0.000 1.015 378 E N 3.224 123.410 120.200 -0.023 0.000 2.197 378 E HA 0.285 4.635 4.350 -0.001 0.000 0.281 378 E C -0.327 176.348 176.600 0.125 0.000 0.995 378 E CA -0.878 55.663 56.400 0.235 0.000 0.808 378 E CB 0.740 30.627 29.700 0.312 0.000 1.093 378 E HN 0.063 nan 8.360 nan 0.000 0.394 379 V N 3.209 123.201 119.914 0.128 0.000 3.185 379 V HA 0.120 4.239 4.120 -0.001 0.000 0.305 379 V C 0.115 176.266 176.094 0.095 0.000 1.090 379 V CA -0.650 61.709 62.300 0.099 0.000 1.107 379 V CB 1.255 33.128 31.823 0.083 0.000 1.061 379 V HN 0.489 nan 8.190 nan 0.000 0.480 380 V N 1.935 121.901 119.914 0.086 0.000 2.357 380 V HA 0.531 4.650 4.120 -0.001 0.000 0.284 380 V C 0.060 176.180 176.094 0.043 0.000 1.018 380 V CA 0.019 62.347 62.300 0.047 0.000 0.841 380 V CB 1.532 33.363 31.823 0.014 0.000 0.991 380 V HN 1.114 nan 8.190 nan 0.000 0.437 381 T N 7.419 121.981 114.554 0.013 0.000 2.900 381 T HA 0.391 4.740 4.350 -0.001 0.000 0.295 381 T C -2.015 172.680 174.700 -0.008 0.000 1.044 381 T CA -1.274 60.787 62.100 -0.064 0.000 0.995 381 T CB 2.324 71.013 68.868 -0.297 0.000 1.072 381 T HN 0.365 nan 8.240 nan 0.000 0.473 382 P HA -0.139 nan 4.420 nan 0.000 0.221 382 P C 0.907 178.304 177.300 0.162 0.000 1.145 382 P CA 1.355 64.558 63.100 0.172 0.000 0.795 382 P CB -0.126 31.637 31.700 0.104 0.000 0.775 383 Y N 1.117 121.470 120.300 0.089 0.000 2.421 383 Y HA -0.156 4.393 4.550 -0.001 0.000 0.292 383 Y C 2.071 178.000 175.900 0.049 0.000 1.136 383 Y CA 0.767 58.900 58.100 0.055 0.000 1.255 383 Y CB -0.998 37.487 38.460 0.042 0.000 0.991 383 Y HN 0.216 nan 8.280 nan 0.000 0.552 384 N N -0.152 118.631 118.700 0.138 0.000 2.317 384 N HA -0.024 4.715 4.740 -0.001 0.000 0.199 384 N C 1.269 176.806 175.510 0.044 0.000 1.145 384 N CA 0.142 53.246 53.050 0.089 0.000 0.882 384 N CB -0.903 37.633 38.487 0.082 0.000 1.113 384 N HN 0.352 nan 8.380 nan 0.000 0.486 385 I N 0.647 121.227 120.570 0.017 0.000 2.502 385 I HA -0.294 3.876 4.170 -0.001 0.000 0.258 385 I C 0.412 176.508 176.117 -0.035 0.000 1.172 385 I CA 1.658 62.930 61.300 -0.047 0.000 1.430 385 I CB -0.028 37.878 38.000 -0.157 0.000 1.086 385 I HN 0.014 nan 8.210 nan 0.000 0.440 386 D N 0.528 120.928 120.400 -0.001 0.000 2.084 386 D HA -0.159 4.481 4.640 -0.001 0.000 0.199 386 D C 2.132 178.434 176.300 0.003 0.000 0.981 386 D CA 1.052 55.052 54.000 -0.000 0.000 0.841 386 D CB -0.390 40.419 40.800 0.015 0.000 0.997 386 D HN 0.199 nan 8.370 nan 0.000 0.454 387 R N 0.341 120.852 120.500 0.017 0.000 2.341 387 R HA -0.009 4.330 4.340 -0.001 0.000 0.213 387 R C 1.658 177.967 176.300 0.016 0.000 1.082 387 R CA 0.417 56.527 56.100 0.017 0.000 1.017 387 R CB -0.119 30.198 30.300 0.028 0.000 0.860 387 R HN 0.258 nan 8.270 nan 0.000 0.473 388 L N -1.143 120.088 121.223 0.015 0.000 2.253 388 L HA -0.009 4.330 4.340 -0.001 0.000 0.205 388 L C 1.989 178.861 176.870 0.005 0.000 1.078 388 L CA 0.847 55.697 54.840 0.017 0.000 0.805 388 L CB -0.005 42.070 42.059 0.027 0.000 0.963 388 L HN 0.125 nan 8.230 nan 0.000 0.459 389 T N -1.147 113.398 114.554 -0.014 0.000 2.821 389 T HA -0.233 4.116 4.350 -0.001 0.000 0.267 389 T C 1.659 176.351 174.700 -0.013 0.000 1.046 389 T CA 1.144 63.232 62.100 -0.020 0.000 1.139 389 T CB -0.084 68.759 68.868 -0.042 0.000 0.871 389 T HN 0.142 nan 8.240 nan 0.000 0.454 390 Q N 0.970 120.763 119.800 -0.012 0.000 2.062 390 Q HA -0.117 4.222 4.340 -0.001 0.000 0.209 390 Q C 2.021 178.010 176.000 -0.018 0.000 0.996 390 Q CA 1.508 57.303 55.803 -0.013 0.000 0.859 390 Q CB -0.847 27.886 28.738 -0.009 0.000 0.920 390 Q HN 0.377 nan 8.270 nan 0.000 0.415 391 L N -0.571 120.645 121.223 -0.012 0.000 2.362 391 L HA -0.040 4.299 4.340 -0.001 0.000 0.219 391 L C 1.924 178.788 176.870 -0.010 0.000 1.134 391 L CA 0.941 55.770 54.840 -0.019 0.000 0.807 391 L CB -0.301 41.760 42.059 0.003 0.000 0.927 391 L HN 0.140 nan 8.230 nan 0.000 0.447 392 V N -0.728 119.188 119.914 0.003 0.000 2.255 392 V HA -0.200 3.919 4.120 -0.001 0.000 0.243 392 V C 2.616 178.703 176.094 -0.011 0.000 1.038 392 V CA 1.424 63.730 62.300 0.009 0.000 1.008 392 V CB -0.486 31.351 31.823 0.023 0.000 0.645 392 V HN 0.386 nan 8.190 nan 0.000 0.449 393 R N 0.741 121.232 120.500 -0.015 0.000 2.119 393 R HA -0.210 4.130 4.340 -0.001 0.000 0.246 393 R C 1.920 178.201 176.300 -0.031 0.000 1.146 393 R CA 1.860 57.949 56.100 -0.019 0.000 0.962 393 R CB -0.811 29.479 30.300 -0.017 0.000 0.863 393 R HN 0.535 nan 8.270 nan 0.000 0.442 394 N N 0.178 118.850 118.700 -0.047 0.000 2.588 394 N HA -0.067 4.673 4.740 -0.001 0.000 0.190 394 N C 1.014 176.477 175.510 -0.078 0.000 1.094 394 N CA 1.035 54.043 53.050 -0.070 0.000 0.921 394 N CB -0.357 38.066 38.487 -0.106 0.000 0.959 394 N HN 0.395 nan 8.380 nan 0.000 0.448 395 G N 0.938 109.706 108.800 -0.054 0.000 2.707 395 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.279 395 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.279 395 G C -1.785 173.101 174.900 -0.024 0.000 1.345 395 G CA 0.005 45.083 45.100 -0.038 0.000 0.912 395 G HN 0.196 nan 8.290 nan 0.000 0.563 396 P HA 0.036 nan 4.420 nan 0.000 0.249 396 P C 0.823 178.160 177.300 0.062 0.000 1.241 396 P CA 0.926 64.103 63.100 0.127 0.000 0.781 396 P CB -0.132 31.595 31.700 0.045 0.000 1.088 397 N N -0.232 118.461 118.700 -0.011 0.000 2.420 397 N HA 0.019 4.759 4.740 -0.001 0.000 0.185 397 N C 0.582 176.073 175.510 -0.032 0.000 1.033 397 N CA -0.031 53.014 53.050 -0.007 0.000 0.879 397 N CB 0.162 38.645 38.487 -0.006 0.000 1.071 397 N HN 0.162 nan 8.380 nan 0.000 0.437 398 E N 0.221 120.378 120.200 -0.070 0.000 2.392 398 E HA -0.068 4.281 4.350 -0.001 0.000 0.259 398 E C 0.369 176.876 176.600 -0.155 0.000 1.108 398 E CA -0.060 56.294 56.400 -0.077 0.000 0.916 398 E CB 0.974 30.630 29.700 -0.074 0.000 0.989 398 E HN 0.305 nan 8.360 nan 0.000 0.432 399 H N 3.023 122.012 119.070 -0.136 0.000 2.340 399 H HA -0.079 4.476 4.556 -0.001 0.000 0.294 399 H C -1.514 173.618 175.328 -0.325 0.000 1.056 399 H CA 1.381 57.324 56.048 -0.175 0.000 1.185 399 H CB -1.041 28.672 29.762 -0.081 0.000 1.379 399 H HN 0.294 nan 8.280 nan 0.000 0.540 400 P HA 0.227 nan 4.420 nan 0.000 0.268 400 P C -0.610 176.435 177.300 -0.425 0.000 1.485 400 P CA 0.729 63.468 63.100 -0.603 0.000 1.102 400 P CB 0.761 32.357 31.700 -0.172 0.000 1.501 401 G N 1.379 109.828 108.800 -0.585 0.000 2.749 401 G HA2 0.808 4.767 3.960 -0.001 0.000 0.300 401 G HA3 0.808 4.767 3.960 -0.001 0.000 0.300 401 G C -1.930 173.039 174.900 0.115 0.000 1.352 401 G CA -0.746 44.130 45.100 -0.374 0.000 0.789 401 G HN 0.390 nan 8.290 nan 0.000 0.509 402 A N 0.212 123.167 122.820 0.225 0.000 2.547 402 A HA 0.674 4.993 4.320 -0.001 0.000 0.298 402 A C -1.040 176.619 177.584 0.125 0.000 1.062 402 A CA -0.684 51.489 52.037 0.228 0.000 0.748 402 A CB 1.663 20.741 19.000 0.130 0.000 1.288 402 A HN 0.978 nan 8.150 nan 0.000 0.396 403 K N 1.579 122.045 120.400 0.110 0.000 2.259 403 K HA 0.729 5.048 4.320 -0.001 0.000 0.249 403 K C -1.032 175.672 176.600 0.173 0.000 0.942 403 K CA -0.499 55.763 56.287 -0.042 0.000 0.816 403 K CB 1.003 33.386 32.500 -0.194 0.000 1.155 403 K HN 1.244 nan 8.250 nan 0.000 0.428 404 Y N -1.917 118.364 120.300 -0.032 0.000 2.528 404 Y HA -0.207 4.342 4.550 -0.001 0.000 0.026 404 Y C -0.617 175.275 175.900 -0.013 0.000 1.721 404 Y CA -0.483 57.598 58.100 -0.031 0.000 1.404 404 Y CB -1.211 37.229 38.460 -0.034 0.000 2.050 404 Y HN 0.367 nan 8.280 nan 0.000 0.257 405 V N 5.220 125.209 119.914 0.125 0.000 2.462 405 V HA 0.487 4.606 4.120 -0.001 0.000 0.288 405 V C -0.173 175.902 176.094 -0.033 0.000 1.020 405 V CA -0.822 61.525 62.300 0.078 0.000 0.857 405 V CB 1.359 33.246 31.823 0.106 0.000 1.013 405 V HN 0.550 nan 8.190 nan 0.000 0.431 406 I N 5.458 125.999 120.570 -0.049 0.000 2.428 406 I HA 0.516 4.685 4.170 -0.001 0.000 0.289 406 I C 0.628 176.541 176.117 -0.340 0.000 1.019 406 I CA 0.152 61.361 61.300 -0.152 0.000 1.351 406 I CB 0.893 38.838 38.000 -0.091 0.000 1.412 406 I HN 0.498 nan 8.210 nan 0.000 0.513 407 R N 3.234 123.415 120.500 -0.530 0.000 2.893 407 R HA 0.409 4.748 4.340 -0.001 0.000 0.245 407 R C -0.743 175.300 176.300 -0.427 0.000 1.192 407 R CA -0.970 54.586 56.100 -0.907 0.000 1.077 407 R CB 0.680 30.320 30.300 -1.099 0.000 1.253 407 R HN 0.688 nan 8.270 nan 0.000 0.505 408 D N -0.213 119.993 120.400 -0.325 0.000 2.360 408 D HA -0.027 4.612 4.640 -0.001 0.000 0.242 408 D C -0.566 175.667 176.300 -0.111 0.000 1.184 408 D CA -0.223 53.713 54.000 -0.105 0.000 0.930 408 D CB 0.539 41.355 40.800 0.028 0.000 1.161 408 D HN 0.576 nan 8.370 nan 0.000 0.447 409 S N -1.254 114.407 115.700 -0.063 0.000 3.255 409 S HA -0.093 4.377 4.470 -0.001 0.000 0.358 409 S C 0.938 175.490 174.600 -0.081 0.000 0.915 409 S CA 0.139 58.304 58.200 -0.057 0.000 1.335 409 S CB -2.489 60.687 63.200 -0.040 0.000 0.938 409 S HN 1.162 nan 8.310 nan 0.000 0.550 410 G N 1.288 110.041 108.800 -0.078 0.000 2.772 410 G HA2 0.242 4.201 3.960 -0.001 0.000 0.286 410 G HA3 0.242 4.201 3.960 -0.001 0.000 0.286 410 G C -0.119 174.728 174.900 -0.088 0.000 0.423 410 G CA 0.728 45.776 45.100 -0.087 0.000 1.142 410 G HN 1.228 nan 8.290 nan 0.000 0.211 411 D N 1.275 121.602 120.400 -0.121 0.000 2.861 411 D HA 0.282 4.921 4.640 -0.001 0.000 0.216 411 D C 0.102 176.344 176.300 -0.098 0.000 1.323 411 D CA -0.681 53.257 54.000 -0.103 0.000 0.917 411 D CB 0.981 41.708 40.800 -0.123 0.000 1.582 411 D HN 0.436 nan 8.370 nan 0.000 0.576 412 R N 3.095 123.576 120.500 -0.032 0.000 2.490 412 R HA 0.574 4.913 4.340 -0.001 0.000 0.280 412 R C -0.203 176.116 176.300 0.031 0.000 1.077 412 R CA -0.319 55.800 56.100 0.032 0.000 1.065 412 R CB 0.881 31.252 30.300 0.118 0.000 1.003 412 R HN 0.499 nan 8.270 nan 0.000 0.470 413 I N 2.673 123.269 120.570 0.043 0.000 2.537 413 I HA 0.070 4.240 4.170 -0.001 0.000 0.276 413 I C -0.680 175.416 176.117 -0.035 0.000 1.063 413 I CA -0.639 60.660 61.300 -0.001 0.000 1.144 413 I CB 1.383 39.367 38.000 -0.027 0.000 1.252 413 I HN 0.461 nan 8.210 nan 0.000 0.480 414 D N 6.327 126.673 120.400 -0.091 0.000 2.346 414 D HA 0.098 4.737 4.640 -0.001 0.000 0.260 414 D C 0.661 176.756 176.300 -0.342 0.000 1.252 414 D CA 0.272 54.059 54.000 -0.356 0.000 0.895 414 D CB 1.097 41.696 40.800 -0.334 0.000 1.097 414 D HN 0.444 nan 8.370 nan 0.000 0.489 415 L N 3.987 124.972 121.223 -0.398 0.000 2.645 415 L HA 0.121 4.460 4.340 -0.001 0.000 0.234 415 L C 1.719 178.431 176.870 -0.262 0.000 1.165 415 L CA 0.060 54.757 54.840 -0.240 0.000 0.944 415 L CB -0.115 41.856 42.059 -0.147 0.000 1.149 415 L HN 0.338 nan 8.230 nan 0.000 0.446 416 R N -2.077 118.158 120.500 -0.442 0.000 2.250 416 R HA 0.172 4.512 4.340 -0.001 0.000 0.194 416 R C 0.336 176.485 176.300 -0.252 0.000 0.927 416 R CA 0.050 55.914 56.100 -0.393 0.000 1.052 416 R CB -0.086 29.903 30.300 -0.518 0.000 1.055 416 R HN 0.140 nan 8.270 nan 0.000 0.537 417 Y N 0.437 120.685 120.300 -0.086 0.000 2.780 417 Y HA 0.525 5.074 4.550 -0.001 0.000 0.340 417 Y C 0.378 176.246 175.900 -0.053 0.000 1.216 417 Y CA -1.549 56.516 58.100 -0.058 0.000 1.245 417 Y CB 0.714 39.142 38.460 -0.052 0.000 1.492 417 Y HN -0.045 nan 8.280 nan 0.000 0.660 418 S N 0.092 115.883 115.700 0.151 0.000 2.862 418 S HA -0.142 4.327 4.470 -0.001 0.000 0.856 418 S C -0.070 174.557 174.600 0.045 0.000 0.886 418 S CA -0.284 57.956 58.200 0.065 0.000 1.464 418 S CB -0.432 62.783 63.200 0.025 0.000 1.050 418 S HN 0.786 nan 8.310 nan 0.000 0.253 419 K N 3.373 123.795 120.400 0.036 0.000 2.720 419 K HA 0.099 4.418 4.320 -0.001 0.000 0.206 419 K C 1.080 177.693 176.600 0.023 0.000 1.000 419 K CA 0.451 56.754 56.287 0.026 0.000 1.067 419 K CB 0.012 32.525 32.500 0.021 0.000 0.861 419 K HN 0.390 nan 8.250 nan 0.000 0.492 420 R N -0.932 119.582 120.500 0.022 0.000 2.504 420 R HA 0.181 4.520 4.340 -0.001 0.000 0.341 420 R C 1.211 177.523 176.300 0.020 0.000 0.905 420 R CA 0.610 56.725 56.100 0.024 0.000 1.133 420 R CB 0.436 30.756 30.300 0.034 0.000 1.704 420 R HN 0.265 nan 8.270 nan 0.000 0.503 421 A N 0.533 123.358 122.820 0.008 0.000 2.131 421 A HA -0.058 4.261 4.320 -0.001 0.000 0.220 421 A C 1.920 179.505 177.584 0.001 0.000 1.158 421 A CA 2.028 54.063 52.037 -0.003 0.000 0.665 421 A CB -0.441 18.544 19.000 -0.025 0.000 0.795 421 A HN 0.326 nan 8.150 nan 0.000 0.460 422 G N -0.704 108.099 108.800 0.005 0.000 2.441 422 G HA2 -0.080 3.879 3.960 -0.001 0.000 0.212 422 G HA3 -0.080 3.879 3.960 -0.001 0.000 0.212 422 G C 1.236 176.140 174.900 0.005 0.000 1.164 422 G CA 0.921 46.023 45.100 0.003 0.000 0.811 422 G HN 0.572 nan 8.290 nan 0.000 0.535 423 D N 0.190 120.597 120.400 0.011 0.000 1.865 423 D HA -0.037 4.603 4.640 -0.001 0.000 0.279 423 D C 0.329 176.638 176.300 0.016 0.000 1.015 423 D CA 0.648 54.655 54.000 0.013 0.000 0.925 423 D CB 0.058 40.870 40.800 0.018 0.000 1.252 423 D HN 0.084 nan 8.370 nan 0.000 0.480 424 I N 0.102 120.693 120.570 0.035 0.000 7.071 424 I HA -0.188 3.981 4.170 -0.001 0.000 0.126 424 I C -0.947 175.184 176.117 0.024 0.000 1.834 424 I CA 0.226 61.561 61.300 0.058 0.000 2.037 424 I CB -0.359 37.677 38.000 0.061 0.000 3.591 424 I HN 0.296 nan 8.210 nan 0.000 0.169 425 Q N 7.305 127.120 119.800 0.026 0.000 3.008 425 Q HA 0.402 4.741 4.340 -0.001 0.000 0.307 425 Q C 0.498 176.315 176.000 -0.305 0.000 1.273 425 Q CA -0.551 55.197 55.803 -0.092 0.000 1.091 425 Q CB 0.740 29.440 28.738 -0.064 0.000 1.393 425 Q HN 0.619 nan 8.270 nan 0.000 0.521 426 L N 0.971 122.010 121.223 -0.307 0.000 2.424 426 L HA -0.163 4.177 4.340 -0.001 0.000 0.283 426 L C 0.396 176.722 176.870 -0.906 0.000 1.303 426 L CA 1.112 55.638 54.840 -0.525 0.000 0.819 426 L CB 0.066 41.965 42.059 -0.267 0.000 1.066 426 L HN 0.444 nan 8.230 nan 0.000 0.593 427 Q N -1.523 117.688 119.800 -0.981 0.000 2.479 427 Q HA 0.308 4.648 4.340 -0.001 0.000 0.276 427 Q C -1.705 173.930 176.000 -0.608 0.000 0.989 427 Q CA -0.628 54.601 55.803 -0.956 0.000 0.864 427 Q CB 1.641 29.624 28.738 -1.259 0.000 1.444 427 Q HN 0.242 nan 8.270 nan 0.000 0.388 428 Y N 0.879 121.038 120.300 -0.234 0.000 2.442 428 Y HA 0.443 4.992 4.550 -0.001 0.000 0.330 428 Y C 1.581 177.442 175.900 -0.065 0.000 1.129 428 Y CA 0.813 58.837 58.100 -0.127 0.000 1.365 428 Y CB 0.534 38.922 38.460 -0.121 0.000 1.233 428 Y HN 0.806 nan 8.280 nan 0.000 0.529 429 G N -0.002 108.893 108.800 0.157 0.000 2.278 429 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.210 429 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.210 429 G C -0.292 174.800 174.900 0.319 0.000 1.000 429 G CA -0.710 44.510 45.100 0.200 0.000 0.635 429 G HN 0.489 nan 8.290 nan 0.000 0.495 430 W N 1.476 122.778 121.300 0.003 0.000 2.283 430 W HA 0.793 5.452 4.660 -0.001 0.000 0.341 430 W C 0.670 177.186 176.519 -0.004 0.000 1.206 430 W CA -0.968 56.373 57.345 -0.006 0.000 1.294 430 W CB 0.669 30.117 29.460 -0.019 0.000 1.154 430 W HN -0.004 nan 8.180 nan 0.000 0.613 431 K N 0.474 120.992 120.400 0.196 0.000 2.166 431 K HA 0.690 5.009 4.320 -0.001 0.000 0.245 431 K C -1.398 175.273 176.600 0.117 0.000 0.967 431 K CA -0.814 55.536 56.287 0.104 0.000 0.863 431 K CB 1.967 34.479 32.500 0.019 0.000 1.107 431 K HN 0.179 nan 8.250 nan 0.000 0.436 432 V N 2.139 122.111 119.914 0.097 0.000 2.623 432 V HA 0.129 4.248 4.120 -0.001 0.000 0.304 432 V C -1.012 175.136 176.094 0.090 0.000 1.054 432 V CA -0.701 61.663 62.300 0.106 0.000 0.882 432 V CB 1.828 33.720 31.823 0.115 0.000 1.002 432 V HN 0.767 nan 8.190 nan 0.000 0.424 433 E N 4.812 125.071 120.200 0.099 0.000 1.856 433 E HA 0.217 4.566 4.350 -0.001 0.000 0.263 433 E C 0.275 176.950 176.600 0.124 0.000 1.137 433 E CA -0.404 56.049 56.400 0.087 0.000 1.007 433 E CB 0.266 30.022 29.700 0.093 0.000 1.117 433 E HN 0.581 nan 8.360 nan 0.000 0.438 434 R N 1.013 121.597 120.500 0.141 0.000 2.738 434 R HA 0.186 4.525 4.340 -0.001 0.000 0.268 434 R C -0.234 176.172 176.300 0.176 0.000 1.062 434 R CA -0.455 55.747 56.100 0.170 0.000 1.158 434 R CB 0.240 30.630 30.300 0.150 0.000 1.046 434 R HN 0.297 nan 8.270 nan 0.000 0.493 435 H N 0.216 119.301 119.070 0.025 0.000 2.790 435 H HA 0.082 4.638 4.556 -0.001 0.000 0.358 435 H C 0.120 175.490 175.328 0.070 0.000 1.103 435 H CA -0.141 55.924 56.048 0.028 0.000 1.426 435 H CB 0.337 30.037 29.762 -0.103 0.000 1.424 435 H HN 0.345 nan 8.280 nan 0.000 0.599 436 I N 3.093 123.784 120.570 0.201 0.000 2.775 436 I HA -0.070 4.099 4.170 -0.001 0.000 0.290 436 I C 0.648 176.912 176.117 0.245 0.000 1.203 436 I CA 0.950 62.362 61.300 0.187 0.000 1.433 436 I CB -0.304 37.795 38.000 0.166 0.000 1.354 436 I HN 0.580 nan 8.210 nan 0.000 0.579 437 M N 2.238 121.948 119.600 0.184 0.000 3.223 437 M HA 0.568 5.048 4.480 -0.001 0.000 0.282 437 M C -0.824 175.551 176.300 0.124 0.000 1.346 437 M CA -1.185 54.252 55.300 0.229 0.000 0.789 437 M CB 0.558 33.299 32.600 0.236 0.000 1.724 437 M HN 0.071 nan 8.290 nan 0.000 0.447 438 D N 1.876 122.341 120.400 0.108 0.000 2.449 438 D HA 0.149 4.789 4.640 -0.001 0.000 0.236 438 D C -0.349 175.971 176.300 0.033 0.000 1.149 438 D CA 1.276 55.306 54.000 0.050 0.000 0.878 438 D CB 0.179 40.999 40.800 0.033 0.000 1.198 438 D HN 0.690 nan 8.370 nan 0.000 0.446 439 N N 2.120 120.831 118.700 0.019 0.000 2.648 439 N HA -0.182 4.558 4.740 -0.001 0.000 0.265 439 N C -1.497 174.015 175.510 0.002 0.000 1.100 439 N CA 0.677 53.733 53.050 0.009 0.000 0.715 439 N CB -0.436 38.055 38.487 0.006 0.000 0.881 439 N HN 0.413 nan 8.380 nan 0.000 0.548 440 D N -0.055 120.348 120.400 0.006 0.000 2.601 440 D HA 0.389 5.029 4.640 -0.001 0.000 0.230 440 D C -2.478 173.824 176.300 0.004 0.000 1.106 440 D CA -1.299 52.698 54.000 -0.005 0.000 0.873 440 D CB 2.136 42.938 40.800 0.002 0.000 1.515 440 D HN -0.016 nan 8.370 nan 0.000 0.468 441 P HA 0.055 nan 4.420 nan 0.000 0.268 441 P C -0.186 177.142 177.300 0.047 0.000 1.282 441 P CA -0.139 62.971 63.100 0.016 0.000 0.880 441 P CB 0.245 31.944 31.700 -0.001 0.000 0.971 442 V N 2.052 122.007 119.914 0.068 0.000 3.019 442 V HA 0.559 4.679 4.120 -0.001 0.000 0.317 442 V C -0.402 175.780 176.094 0.146 0.000 1.094 442 V CA -1.319 61.039 62.300 0.097 0.000 1.000 442 V CB 2.653 34.518 31.823 0.071 0.000 1.060 442 V HN 0.305 nan 8.190 nan 0.000 0.443 443 L N 2.826 124.157 121.223 0.180 0.000 2.318 443 L HA 0.568 4.907 4.340 -0.001 0.000 0.277 443 L C -1.592 175.440 176.870 0.271 0.000 1.008 443 L CA -0.469 54.492 54.840 0.200 0.000 0.846 443 L CB 1.143 43.276 42.059 0.123 0.000 1.220 443 L HN 0.811 nan 8.230 nan 0.000 0.423 444 F N 6.206 126.199 119.950 0.071 0.000 2.361 444 F HA 0.407 4.934 4.527 -0.001 0.000 0.364 444 F C -0.050 175.753 175.800 0.004 0.000 1.117 444 F CA -0.615 57.331 58.000 -0.091 0.000 1.071 444 F CB 0.917 39.725 39.000 -0.319 0.000 1.188 444 F HN 0.489 nan 8.300 nan 0.000 0.464 445 N N 4.625 123.156 118.700 -0.282 0.000 2.471 445 N HA 0.539 5.278 4.740 -0.001 0.000 0.288 445 N C -1.474 173.792 175.510 -0.408 0.000 1.220 445 N CA -0.527 52.424 53.050 -0.166 0.000 0.893 445 N CB 1.484 39.955 38.487 -0.026 0.000 1.256 445 N HN 0.576 nan 8.380 nan 0.000 0.534 446 R N 1.962 122.366 120.500 -0.160 0.000 2.536 446 R HA 0.167 4.506 4.340 -0.001 0.000 0.269 446 R C -1.507 174.766 176.300 -0.046 0.000 1.113 446 R CA -0.354 55.641 56.100 -0.176 0.000 0.948 446 R CB 1.302 31.481 30.300 -0.201 0.000 1.237 446 R HN 0.706 nan 8.270 nan 0.000 0.441 447 Q N 3.105 122.877 119.800 -0.046 0.000 2.221 447 Q HA 0.491 4.831 4.340 -0.001 0.000 0.242 447 Q C -2.039 173.950 176.000 -0.020 0.000 0.940 447 Q CA -1.552 54.240 55.803 -0.019 0.000 0.896 447 Q CB 0.758 29.490 28.738 -0.011 0.000 1.226 447 Q HN 0.378 nan 8.270 nan 0.000 0.463 448 P HA 0.087 nan 4.420 nan 0.000 0.286 448 P C -1.004 176.292 177.300 -0.007 0.000 1.269 448 P CA -0.536 62.557 63.100 -0.012 0.000 0.787 448 P CB 1.002 32.692 31.700 -0.017 0.000 0.920 449 S N 2.365 118.064 115.700 -0.002 0.000 4.087 449 S HA 0.175 4.644 4.470 -0.001 0.000 0.213 449 S C 0.773 175.371 174.600 -0.005 0.000 1.415 449 S CA -0.659 57.548 58.200 0.012 0.000 0.893 449 S CB -1.155 62.053 63.200 0.013 0.000 1.529 449 S HN 0.312 nan 8.310 nan 0.000 0.457 450 L N -0.627 120.572 121.223 -0.041 0.000 2.862 450 L HA 0.590 4.929 4.340 -0.001 0.000 0.240 450 L C 0.070 176.832 176.870 -0.179 0.000 1.283 450 L CA -0.032 54.739 54.840 -0.116 0.000 1.117 450 L CB -1.786 40.172 42.059 -0.168 0.000 1.444 450 L HN 0.642 nan 8.230 nan 0.000 0.456 451 H N -1.315 117.719 119.070 -0.060 0.000 3.060 451 H HA 0.229 4.784 4.556 -0.001 0.000 0.330 451 H C 0.157 175.439 175.328 -0.077 0.000 1.305 451 H CA -0.602 55.398 56.048 -0.080 0.000 1.209 451 H CB 1.695 31.400 29.762 -0.095 0.000 1.913 451 H HN 0.098 nan 8.280 nan 0.000 0.534 452 K N 0.889 121.334 120.400 0.074 0.000 2.155 452 K HA -0.015 4.304 4.320 -0.001 0.000 0.203 452 K C 0.817 177.360 176.600 -0.095 0.000 1.052 452 K CA 1.576 57.849 56.287 -0.024 0.000 0.948 452 K CB 0.066 32.539 32.500 -0.044 0.000 0.728 452 K HN 0.321 nan 8.250 nan 0.000 0.448 453 M N 1.319 120.784 119.600 -0.226 0.000 2.633 453 M HA 0.139 4.618 4.480 -0.001 0.000 0.226 453 M C 0.856 176.932 176.300 -0.372 0.000 1.137 453 M CA 0.453 55.527 55.300 -0.376 0.000 1.020 453 M CB 0.463 32.731 32.600 -0.553 0.000 1.675 453 M HN 0.023 nan 8.290 nan 0.000 0.500 454 S N -0.332 115.301 115.700 -0.110 0.000 2.548 454 S HA 0.303 4.772 4.470 -0.001 0.000 0.215 454 S C 0.467 175.130 174.600 0.106 0.000 0.976 454 S CA 0.176 58.371 58.200 -0.007 0.000 0.908 454 S CB 0.078 63.340 63.200 0.104 0.000 0.781 454 S HN 0.364 nan 8.310 nan 0.000 0.519 455 M N 0.908 120.525 119.600 0.028 0.000 2.598 455 M HA 0.661 5.140 4.480 -0.001 0.000 0.317 455 M C -1.071 175.282 176.300 0.089 0.000 1.179 455 M CA 0.052 55.412 55.300 0.101 0.000 0.936 455 M CB 1.630 34.249 32.600 0.033 0.000 1.713 455 M HN 0.048 nan 8.290 nan 0.000 0.460 456 M N 1.480 121.204 119.600 0.207 0.000 2.569 456 M HA 0.507 4.987 4.480 -0.001 0.000 0.287 456 M C -1.514 174.935 176.300 0.250 0.000 1.130 456 M CA -0.525 54.889 55.300 0.189 0.000 0.885 456 M CB 1.933 34.688 32.600 0.258 0.000 1.759 456 M HN 0.709 nan 8.290 nan 0.000 0.515 457 A N 2.542 125.432 122.820 0.118 0.000 2.450 457 A HA 0.504 4.823 4.320 -0.001 0.000 0.255 457 A C -0.873 176.756 177.584 0.076 0.000 1.096 457 A CA 0.194 52.300 52.037 0.114 0.000 0.778 457 A CB 0.008 19.032 19.000 0.040 0.000 1.031 457 A HN 0.793 nan 8.150 nan 0.000 0.494 458 H N 1.360 120.455 119.070 0.041 0.000 2.651 458 H HA 0.405 4.961 4.556 -0.001 0.000 0.353 458 H C -0.245 175.058 175.328 -0.042 0.000 1.178 458 H CA -0.729 55.307 56.048 -0.021 0.000 1.224 458 H CB 1.482 31.174 29.762 -0.117 0.000 1.702 458 H HN 0.702 nan 8.280 nan 0.000 0.550 459 R N 0.571 121.109 120.500 0.062 0.000 2.457 459 R HA 0.337 4.676 4.340 -0.001 0.000 0.284 459 R C -0.744 175.564 176.300 0.013 0.000 1.024 459 R CA -0.741 55.373 56.100 0.024 0.000 1.025 459 R CB 1.324 31.628 30.300 0.007 0.000 1.063 459 R HN 0.215 nan 8.270 nan 0.000 0.493 460 V N 3.068 122.986 119.914 0.007 0.000 2.383 460 V HA 0.200 4.320 4.120 -0.001 0.000 0.275 460 V C -0.158 175.937 176.094 0.003 0.000 1.036 460 V CA -0.481 61.819 62.300 0.000 0.000 0.889 460 V CB 1.073 32.912 31.823 0.026 0.000 0.985 460 V HN 0.531 nan 8.190 nan 0.000 0.459 461 K N 5.205 125.600 120.400 -0.008 0.000 2.521 461 K HA 0.468 4.788 4.320 -0.001 0.000 0.248 461 K C -0.976 175.611 176.600 -0.023 0.000 0.978 461 K CA -0.427 55.854 56.287 -0.010 0.000 0.947 461 K CB 1.233 33.730 32.500 -0.005 0.000 1.165 461 K HN 0.407 nan 8.250 nan 0.000 0.445 462 V N 6.112 125.993 119.914 -0.054 0.000 2.655 462 V HA 0.248 4.368 4.120 -0.001 0.000 0.300 462 V C 0.448 176.476 176.094 -0.110 0.000 1.044 462 V CA -0.037 62.197 62.300 -0.109 0.000 1.095 462 V CB -0.190 31.461 31.823 -0.287 0.000 0.952 462 V HN 0.734 nan 8.190 nan 0.000 0.485 463 I N 3.742 124.257 120.570 -0.091 0.000 3.174 463 I HA 0.741 4.910 4.170 -0.001 0.000 0.313 463 I C -2.723 173.313 176.117 -0.134 0.000 1.155 463 I CA -2.697 58.549 61.300 -0.090 0.000 0.977 463 I CB 1.563 39.549 38.000 -0.024 0.000 1.248 463 I HN 0.340 nan 8.210 nan 0.000 0.453 464 P HA 0.210 nan 4.420 nan 0.000 0.272 464 P C -1.353 175.754 177.300 -0.321 0.000 1.240 464 P CA 0.242 63.087 63.100 -0.424 0.000 0.791 464 P CB 0.137 31.364 31.700 -0.789 0.000 0.978 465 Y N -2.458 117.815 120.300 -0.045 0.000 2.568 465 Y HA -0.192 4.357 4.550 -0.001 0.000 0.022 465 Y C 1.028 176.882 175.900 -0.076 0.000 1.773 465 Y CA -0.342 57.726 58.100 -0.052 0.000 1.377 465 Y CB -1.978 36.453 38.460 -0.048 0.000 2.027 465 Y HN 0.284 nan 8.280 nan 0.000 0.262 466 S N 0.620 116.372 115.700 0.087 0.000 3.077 466 S HA 0.076 4.545 4.470 -0.001 0.000 0.244 466 S C 0.512 175.043 174.600 -0.115 0.000 1.013 466 S CA 0.732 58.914 58.200 -0.029 0.000 1.121 466 S CB -0.608 62.579 63.200 -0.021 0.000 0.847 466 S HN 0.694 nan 8.310 nan 0.000 0.514 467 T N -1.267 113.227 114.554 -0.101 0.000 2.906 467 T HA 0.666 5.015 4.350 -0.001 0.000 0.295 467 T C -0.665 173.956 174.700 -0.131 0.000 1.061 467 T CA -0.988 61.038 62.100 -0.122 0.000 1.000 467 T CB 0.825 69.682 68.868 -0.019 0.000 1.103 467 T HN 0.096 nan 8.240 nan 0.000 0.486 468 F N 2.304 122.288 119.950 0.056 0.000 2.411 468 F HA 0.506 5.032 4.527 -0.001 0.000 0.350 468 F C 1.415 177.229 175.800 0.024 0.000 1.114 468 F CA -1.132 56.887 58.000 0.031 0.000 1.135 468 F CB 1.179 40.251 39.000 0.120 0.000 1.120 468 F HN 0.336 nan 8.300 nan 0.000 0.495 469 R N 4.348 124.952 120.500 0.172 0.000 2.598 469 R HA 0.862 5.201 4.340 -0.001 0.000 0.279 469 R C -1.355 174.964 176.300 0.032 0.000 0.984 469 R CA -1.083 55.058 56.100 0.069 0.000 0.999 469 R CB 1.586 31.900 30.300 0.025 0.000 1.114 469 R HN 0.560 nan 8.270 nan 0.000 0.493 470 L N -1.888 119.377 121.223 0.069 0.000 2.540 470 L HA 0.462 4.801 4.340 -0.001 0.000 0.256 470 L C -0.518 176.426 176.870 0.124 0.000 1.001 470 L CA -1.171 53.722 54.840 0.088 0.000 0.843 470 L CB 1.144 43.291 42.059 0.147 0.000 1.436 470 L HN 0.464 nan 8.230 nan 0.000 0.410 471 N N 0.653 119.427 118.700 0.124 0.000 2.458 471 N HA 0.123 4.862 4.740 -0.001 0.000 0.258 471 N C 0.826 176.413 175.510 0.128 0.000 1.219 471 N CA -0.013 53.091 53.050 0.089 0.000 0.902 471 N CB 1.046 39.559 38.487 0.044 0.000 1.076 471 N HN 0.810 nan 8.380 nan 0.000 0.455 472 L N 2.494 123.789 121.223 0.120 0.000 2.137 472 L HA -0.182 4.158 4.340 -0.001 0.000 0.213 472 L C 2.060 179.003 176.870 0.122 0.000 1.085 472 L CA 1.208 56.152 54.840 0.173 0.000 0.760 472 L CB -0.472 41.670 42.059 0.139 0.000 0.893 472 L HN 0.460 nan 8.230 nan 0.000 0.434 473 S N -1.448 114.275 115.700 0.038 0.000 2.754 473 S HA 0.091 4.560 4.470 -0.001 0.000 0.223 473 S C 1.165 175.683 174.600 -0.136 0.000 0.951 473 S CA 0.126 58.293 58.200 -0.055 0.000 0.954 473 S CB 0.199 63.322 63.200 -0.127 0.000 0.780 473 S HN 0.227 nan 8.310 nan 0.000 0.509 474 V N 0.477 120.401 119.914 0.017 0.000 3.319 474 V HA 0.126 4.246 4.120 -0.001 0.000 0.317 474 V C 1.680 177.915 176.094 0.236 0.000 1.411 474 V CA 0.466 62.834 62.300 0.113 0.000 1.112 474 V CB 0.124 32.123 31.823 0.293 0.000 1.031 474 V HN 0.387 nan 8.190 nan 0.000 0.448 475 T N -0.034 114.604 114.554 0.141 0.000 2.668 475 T HA -0.140 4.209 4.350 -0.001 0.000 0.262 475 T C 2.083 176.816 174.700 0.055 0.000 1.045 475 T CA 2.302 64.461 62.100 0.097 0.000 1.152 475 T CB -0.023 68.880 68.868 0.059 0.000 0.864 475 T HN 0.598 nan 8.240 nan 0.000 0.419 476 S N 1.842 117.555 115.700 0.022 0.000 2.377 476 S HA -0.110 4.360 4.470 -0.001 0.000 0.224 476 S C -0.284 174.301 174.600 -0.025 0.000 1.042 476 S CA 1.970 60.170 58.200 -0.001 0.000 1.086 476 S CB -1.244 61.954 63.200 -0.003 0.000 0.995 476 S HN 0.575 nan 8.310 nan 0.000 0.428 477 P HA -0.091 nan 4.420 nan 0.000 0.217 477 P C 0.797 177.992 177.300 -0.175 0.000 1.151 477 P CA 1.315 64.287 63.100 -0.212 0.000 0.828 477 P CB -0.231 31.243 31.700 -0.377 0.000 0.788 478 Y N -0.358 119.922 120.300 -0.034 0.000 2.421 478 Y HA -0.074 4.476 4.550 -0.001 0.000 0.292 478 Y C 1.224 177.093 175.900 -0.051 0.000 1.136 478 Y CA 0.708 58.780 58.100 -0.047 0.000 1.255 478 Y CB -0.876 37.537 38.460 -0.078 0.000 0.991 478 Y HN 0.013 nan 8.280 nan 0.000 0.552 479 N N -0.232 118.516 118.700 0.079 0.000 2.721 479 N HA -0.205 4.534 4.740 -0.001 0.000 0.249 479 N C -0.529 174.963 175.510 -0.030 0.000 1.072 479 N CA 0.382 53.443 53.050 0.019 0.000 0.710 479 N CB -1.038 37.461 38.487 0.019 0.000 0.993 479 N HN 0.362 nan 8.380 nan 0.000 0.547 480 A N -0.082 122.701 122.820 -0.061 0.000 2.272 480 A HA 0.610 4.929 4.320 -0.001 0.000 0.275 480 A C 0.460 177.834 177.584 -0.350 0.000 1.096 480 A CA 0.418 52.322 52.037 -0.221 0.000 0.822 480 A CB 0.575 19.395 19.000 -0.299 0.000 1.088 480 A HN 0.649 nan 8.150 nan 0.000 0.495 481 D N -2.485 117.593 120.400 -0.537 0.000 2.921 481 D HA 0.501 5.140 4.640 -0.001 0.000 0.329 481 D C -1.030 174.696 176.300 -0.956 0.000 1.293 481 D CA -0.392 53.155 54.000 -0.754 0.000 0.964 481 D CB 0.118 40.766 40.800 -0.254 0.000 1.435 481 D HN 0.234 nan 8.370 nan 0.000 0.548 482 F N -0.063 119.894 119.950 0.013 0.000 2.688 482 F HA 0.228 4.754 4.527 -0.001 0.000 0.376 482 F C 0.386 176.188 175.800 0.002 0.000 1.428 482 F CA -0.992 57.014 58.000 0.009 0.000 1.156 482 F CB 0.137 39.144 39.000 0.012 0.000 1.141 482 F HN 0.076 nan 8.300 nan 0.000 0.521 483 D N -0.349 120.100 120.400 0.083 0.000 2.400 483 D HA 0.069 4.708 4.640 -0.001 0.000 0.242 483 D C 1.415 177.746 176.300 0.051 0.000 1.077 483 D CA 0.623 54.654 54.000 0.051 0.000 0.943 483 D CB -0.571 40.239 40.800 0.016 0.000 0.882 483 D HN 0.512 nan 8.370 nan 0.000 0.529 484 G N 0.991 109.845 108.800 0.090 0.000 2.462 484 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.283 484 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.283 484 G C -0.130 174.796 174.900 0.043 0.000 1.043 484 G CA -0.090 45.063 45.100 0.087 0.000 1.300 484 G HN 0.305 nan 8.290 nan 0.000 0.518 485 D N 0.214 120.625 120.400 0.019 0.000 2.002 485 D HA 0.429 5.068 4.640 -0.001 0.000 0.260 485 D C 0.880 177.199 176.300 0.031 0.000 1.159 485 D CA 0.781 54.779 54.000 -0.004 0.000 0.961 485 D CB 0.359 41.122 40.800 -0.061 0.000 1.222 485 D HN 0.739 nan 8.370 nan 0.000 0.500 486 E N -1.103 119.107 120.200 0.017 0.000 3.337 486 E HA 0.177 4.527 4.350 -0.001 0.000 0.344 486 E C -1.571 175.032 176.600 0.005 0.000 1.073 486 E CA -0.266 56.164 56.400 0.051 0.000 0.873 486 E CB 0.614 30.340 29.700 0.044 0.000 1.231 486 E HN 0.253 nan 8.360 nan 0.000 0.474 487 M N 2.145 121.770 119.600 0.042 0.000 2.691 487 M HA 0.552 5.031 4.480 -0.001 0.000 0.293 487 M C -0.544 175.713 176.300 -0.071 0.000 1.259 487 M CA -1.100 54.097 55.300 -0.173 0.000 0.827 487 M CB 2.143 34.439 32.600 -0.508 0.000 1.753 487 M HN 0.395 nan 8.290 nan 0.000 0.465 488 N N 0.874 119.438 118.700 -0.227 0.000 2.619 488 N HA 0.856 5.595 4.740 -0.001 0.000 0.294 488 N C -1.604 173.902 175.510 -0.006 0.000 1.279 488 N CA -0.577 52.455 53.050 -0.029 0.000 0.867 488 N CB 2.569 41.090 38.487 0.057 0.000 1.329 488 N HN 0.642 nan 8.380 nan 0.000 0.557 489 L N 0.153 121.436 121.223 0.099 0.000 2.641 489 L HA 0.322 4.662 4.340 -0.001 0.000 0.261 489 L C -1.663 175.301 176.870 0.156 0.000 0.926 489 L CA -0.457 54.500 54.840 0.194 0.000 0.917 489 L CB 1.377 43.487 42.059 0.085 0.000 1.361 489 L HN 0.572 nan 8.230 nan 0.000 0.417 490 H N 4.227 123.365 119.070 0.114 0.000 2.489 490 H HA 0.478 5.034 4.556 -0.001 0.000 0.343 490 H C -0.965 174.435 175.328 0.120 0.000 1.086 490 H CA -0.966 55.158 56.048 0.126 0.000 1.198 490 H CB 2.653 32.480 29.762 0.107 0.000 1.490 490 H HN 0.306 nan 8.280 nan 0.000 0.504 491 V N 6.087 126.139 119.914 0.230 0.000 2.348 491 V HA 0.122 4.242 4.120 -0.001 0.000 0.270 491 V C -1.874 174.260 176.094 0.067 0.000 1.037 491 V CA -1.637 60.747 62.300 0.141 0.000 0.872 491 V CB 0.960 32.853 31.823 0.118 0.000 1.002 491 V HN 0.631 nan 8.190 nan 0.000 0.464 492 P HA 0.086 nan 4.420 nan 0.000 0.268 492 P C -0.345 176.987 177.300 0.052 0.000 1.204 492 P CA -0.028 63.113 63.100 0.068 0.000 0.768 492 P CB 0.808 32.566 31.700 0.097 0.000 0.842 493 Q N 0.155 119.909 119.800 -0.077 0.000 2.188 493 Q HA 0.220 4.560 4.340 -0.001 0.000 0.212 493 Q C 0.391 176.283 176.000 -0.181 0.000 0.846 493 Q CA 0.130 55.771 55.803 -0.270 0.000 0.989 493 Q CB 0.694 29.170 28.738 -0.437 0.000 1.114 493 Q HN 0.347 nan 8.270 nan 0.000 0.488 494 S N -0.264 115.484 115.700 0.079 0.000 2.632 494 S HA 0.299 4.768 4.470 -0.001 0.000 0.289 494 S C 0.609 175.364 174.600 0.259 0.000 1.115 494 S CA -0.404 57.875 58.200 0.132 0.000 0.889 494 S CB 1.626 64.855 63.200 0.048 0.000 1.116 494 S HN -0.076 nan 8.310 nan 0.000 0.486 495 E N 1.378 121.706 120.200 0.214 0.000 2.150 495 E HA -0.085 4.265 4.350 -0.001 0.000 0.193 495 E C 1.404 178.058 176.600 0.091 0.000 0.985 495 E CA 1.004 57.497 56.400 0.155 0.000 0.814 495 E CB 0.077 29.858 29.700 0.135 0.000 0.752 495 E HN 0.724 nan 8.360 nan 0.000 0.466 496 E N -0.608 119.641 120.200 0.082 0.000 2.481 496 E HA 0.046 4.395 4.350 -0.001 0.000 0.198 496 E C 0.866 177.500 176.600 0.057 0.000 1.027 496 E CA 0.303 56.742 56.400 0.064 0.000 0.900 496 E CB 0.009 29.747 29.700 0.063 0.000 0.993 496 E HN -0.077 nan 8.360 nan 0.000 0.482 497 T N 1.293 115.887 114.554 0.066 0.000 3.057 497 T HA 0.058 4.407 4.350 -0.001 0.000 0.254 497 T C 1.677 176.411 174.700 0.057 0.000 1.094 497 T CA 0.839 62.973 62.100 0.057 0.000 1.088 497 T CB 0.092 68.997 68.868 0.060 0.000 0.934 497 T HN 0.404 nan 8.240 nan 0.000 0.497 498 R N 0.762 121.298 120.500 0.060 0.000 2.282 498 R HA 0.538 4.878 4.340 -0.001 0.000 0.195 498 R C 2.347 178.660 176.300 0.021 0.000 0.909 498 R CA 0.589 56.710 56.100 0.036 0.000 1.039 498 R CB -0.290 30.016 30.300 0.009 0.000 1.015 498 R HN 0.168 nan 8.270 nan 0.000 0.513 499 A N 1.841 124.679 122.820 0.029 0.000 1.897 499 A HA -0.148 4.172 4.320 -0.001 0.000 0.215 499 A C 2.011 179.612 177.584 0.028 0.000 1.181 499 A CA 1.460 53.513 52.037 0.027 0.000 0.620 499 A CB -0.361 18.662 19.000 0.038 0.000 0.821 499 A HN 0.516 nan 8.150 nan 0.000 0.443 500 E N -0.839 119.380 120.200 0.033 0.000 2.442 500 E HA 0.009 4.358 4.350 -0.001 0.000 0.195 500 E C 1.506 178.118 176.600 0.021 0.000 1.030 500 E CA 0.000 56.418 56.400 0.029 0.000 0.869 500 E CB 0.029 29.748 29.700 0.031 0.000 0.857 500 E HN 0.394 nan 8.360 nan 0.000 0.505 501 L N 0.626 121.863 121.223 0.024 0.000 2.209 501 L HA 0.017 4.356 4.340 -0.001 0.000 0.207 501 L C 2.084 178.964 176.870 0.017 0.000 1.094 501 L CA 1.761 56.617 54.840 0.025 0.000 0.790 501 L CB -0.354 41.727 42.059 0.037 0.000 0.932 501 L HN 0.215 nan 8.230 nan 0.000 0.447 502 S N -2.774 112.933 115.700 0.011 0.000 2.539 502 S HA 0.035 4.504 4.470 -0.001 0.000 0.226 502 S C 1.403 176.001 174.600 -0.002 0.000 1.054 502 S CA -0.385 57.816 58.200 0.002 0.000 0.910 502 S CB 0.152 63.352 63.200 -0.000 0.000 0.818 502 S HN 0.264 nan 8.310 nan 0.000 0.490 503 Q N 0.566 120.368 119.800 0.004 0.000 2.403 503 Q HA 0.422 4.761 4.340 -0.001 0.000 0.203 503 Q C 1.325 177.323 176.000 -0.003 0.000 0.932 503 Q CA 0.360 56.166 55.803 0.005 0.000 0.945 503 Q CB 0.167 28.916 28.738 0.017 0.000 1.045 503 Q HN 0.541 nan 8.270 nan 0.000 0.511 504 L N -2.204 119.015 121.223 -0.007 0.000 2.815 504 L HA 0.083 4.422 4.340 -0.001 0.000 0.241 504 L C 0.928 177.780 176.870 -0.030 0.000 1.047 504 L CA 0.372 55.201 54.840 -0.018 0.000 0.939 504 L CB 0.788 42.842 42.059 -0.009 0.000 1.490 504 L HN 0.102 nan 8.230 nan 0.000 0.510 505 C N -0.576 118.711 119.300 -0.023 0.000 3.642 505 C HA 0.535 4.994 4.460 -0.001 0.000 0.305 505 C C 1.231 176.201 174.990 -0.034 0.000 1.492 505 C CA -0.959 58.043 59.018 -0.027 0.000 1.809 505 C CB -0.576 27.161 27.740 -0.006 0.000 2.639 505 C HN 0.307 nan 8.230 nan 0.000 0.672 506 A N 1.567 124.365 122.820 -0.035 0.000 2.598 506 A HA 0.293 4.612 4.320 -0.001 0.000 0.239 506 A C 1.480 179.001 177.584 -0.104 0.000 1.032 506 A CA 0.581 52.583 52.037 -0.059 0.000 0.760 506 A CB 0.220 19.192 19.000 -0.047 0.000 0.946 506 A HN 0.406 nan 8.150 nan 0.000 0.512 507 V N 4.126 123.932 119.914 -0.180 0.000 2.313 507 V HA -0.255 3.865 4.120 -0.001 0.000 0.253 507 V C -0.265 175.734 176.094 -0.158 0.000 1.070 507 V CA 2.938 65.100 62.300 -0.231 0.000 1.057 507 V CB -1.505 30.062 31.823 -0.426 0.000 0.653 507 V HN 0.860 nan 8.190 nan 0.000 0.450 508 P HA -0.064 nan 4.420 nan 0.000 0.213 508 P C 1.305 178.573 177.300 -0.053 0.000 1.170 508 P CA 0.883 63.949 63.100 -0.057 0.000 0.889 508 P CB -0.272 31.413 31.700 -0.025 0.000 0.782 509 L N -2.336 118.854 121.223 -0.055 0.000 3.499 509 L HA 0.115 4.455 4.340 -0.001 0.000 0.265 509 L C 0.780 177.606 176.870 -0.074 0.000 1.324 509 L CA 1.302 56.109 54.840 -0.055 0.000 1.067 509 L CB -1.060 40.973 42.059 -0.044 0.000 1.487 509 L HN -0.086 nan 8.230 nan 0.000 0.415 510 Q N -0.949 118.799 119.800 -0.087 0.000 1.921 510 Q HA 0.297 4.637 4.340 -0.001 0.000 0.192 510 Q C 1.607 177.535 176.000 -0.120 0.000 0.755 510 Q CA 0.200 55.936 55.803 -0.113 0.000 0.904 510 Q CB 0.275 28.930 28.738 -0.138 0.000 1.222 510 Q HN 0.701 nan 8.270 nan 0.000 0.417 511 I N 0.017 120.535 120.570 -0.086 0.000 2.163 511 I HA -0.105 4.064 4.170 -0.001 0.000 0.240 511 I C 1.135 177.205 176.117 -0.078 0.000 1.081 511 I CA 1.009 62.280 61.300 -0.048 0.000 1.353 511 I CB 0.296 38.328 38.000 0.054 0.000 1.054 511 I HN -0.131 nan 8.210 nan 0.000 0.407 512 V N 1.072 120.922 119.914 -0.108 0.000 2.383 512 V HA 0.327 4.447 4.120 -0.001 0.000 0.275 512 V C -0.145 175.869 176.094 -0.134 0.000 1.036 512 V CA -0.086 62.112 62.300 -0.170 0.000 0.889 512 V CB 1.278 32.962 31.823 -0.231 0.000 0.985 512 V HN 0.284 nan 8.190 nan 0.000 0.459 513 S N 8.007 123.636 115.700 -0.117 0.000 2.532 513 S HA 0.607 5.077 4.470 -0.001 0.000 0.299 513 S C -1.669 172.922 174.600 -0.015 0.000 1.105 513 S CA -1.365 56.787 58.200 -0.080 0.000 1.018 513 S CB 2.220 65.349 63.200 -0.119 0.000 1.021 513 S HN 0.569 nan 8.310 nan 0.000 0.483 514 P HA -0.268 nan 4.420 nan 0.000 0.219 514 P C 1.398 178.816 177.300 0.197 0.000 1.153 514 P CA 1.439 64.628 63.100 0.148 0.000 0.865 514 P CB 0.066 31.869 31.700 0.171 0.000 0.788 515 Q N -0.200 119.607 119.800 0.011 0.000 2.077 515 Q HA -0.133 4.207 4.340 -0.001 0.000 0.206 515 Q C 0.801 176.777 176.000 -0.040 0.000 0.989 515 Q CA 2.113 57.832 55.803 -0.140 0.000 0.853 515 Q CB -0.115 28.549 28.738 -0.124 0.000 0.907 515 Q HN 0.171 nan 8.270 nan 0.000 0.418 516 S N 0.648 116.343 115.700 -0.009 0.000 2.941 516 S HA 0.097 4.566 4.470 -0.001 0.000 0.251 516 S C -0.701 173.961 174.600 0.105 0.000 1.029 516 S CA 0.090 58.263 58.200 -0.045 0.000 1.062 516 S CB 0.259 63.447 63.200 -0.021 0.000 0.977 516 S HN 0.686 nan 8.310 nan 0.000 0.552 517 N N 2.325 121.104 118.700 0.131 0.000 2.702 517 N HA -0.296 4.443 4.740 -0.001 0.000 0.255 517 N C -0.502 175.101 175.510 0.155 0.000 0.983 517 N CA 1.548 54.702 53.050 0.173 0.000 0.768 517 N CB -1.805 36.837 38.487 0.257 0.000 0.918 517 N HN 0.771 nan 8.380 nan 0.000 0.540 518 K N -3.903 116.502 120.400 0.008 0.000 2.571 518 K HA 0.717 5.036 4.320 -0.001 0.000 0.289 518 K C -3.531 172.958 176.600 -0.184 0.000 1.028 518 K CA -1.885 54.329 56.287 -0.122 0.000 0.895 518 K CB 1.765 34.307 32.500 0.070 0.000 1.534 518 K HN -0.077 nan 8.250 nan 0.000 0.421 519 P HA 0.203 nan 4.420 nan 0.000 0.294 519 P C 0.419 177.682 177.300 -0.062 0.000 1.294 519 P CA -0.782 62.231 63.100 -0.146 0.000 0.827 519 P CB 1.193 32.809 31.700 -0.139 0.000 0.992 520 C N 1.203 120.459 119.300 -0.073 0.000 2.697 520 C HA 0.492 4.951 4.460 -0.001 0.000 0.267 520 C C 0.563 175.521 174.990 -0.053 0.000 1.278 520 C CA -0.415 58.557 59.018 -0.076 0.000 1.708 520 C CB -1.662 25.986 27.740 -0.154 0.000 1.860 520 C HN 0.364 nan 8.230 nan 0.000 0.589 521 M N 1.365 120.967 119.600 0.004 0.000 2.321 521 M HA 0.657 5.136 4.480 -0.001 0.000 0.315 521 M C 0.399 176.842 176.300 0.238 0.000 1.052 521 M CA 0.303 55.633 55.300 0.050 0.000 0.936 521 M CB 2.121 34.674 32.600 -0.078 0.000 1.639 521 M HN 0.369 nan 8.290 nan 0.000 0.433 522 G N 1.588 110.519 108.800 0.219 0.000 3.251 522 G HA2 0.776 4.735 3.960 -0.001 0.000 0.248 522 G HA3 0.776 4.735 3.960 -0.001 0.000 0.248 522 G C -1.293 173.816 174.900 0.350 0.000 1.320 522 G CA -0.679 44.584 45.100 0.271 0.000 0.982 522 G HN 0.485 nan 8.290 nan 0.000 0.575 523 I N 0.485 121.171 120.570 0.193 0.000 2.474 523 I HA 0.411 4.580 4.170 -0.001 0.000 0.287 523 I C 0.559 176.726 176.117 0.084 0.000 1.048 523 I CA -0.128 61.255 61.300 0.138 0.000 1.383 523 I CB 1.357 39.388 38.000 0.051 0.000 1.412 523 I HN 0.361 nan 8.210 nan 0.000 0.531 524 V N 3.555 123.513 119.914 0.074 0.000 3.130 524 V HA 0.628 4.748 4.120 -0.001 0.000 0.310 524 V C 0.086 176.194 176.094 0.023 0.000 1.158 524 V CA -0.755 61.572 62.300 0.046 0.000 1.029 524 V CB 1.413 33.270 31.823 0.057 0.000 1.057 524 V HN 0.874 nan 8.190 nan 0.000 0.436 525 Q N -0.295 119.508 119.800 0.005 0.000 2.049 525 Q HA -0.341 3.998 4.340 -0.001 0.000 0.409 525 Q C 1.151 177.118 176.000 -0.056 0.000 0.726 525 Q CA 2.341 58.134 55.803 -0.017 0.000 0.896 525 Q CB -1.309 27.436 28.738 0.012 0.000 3.134 525 Q HN 1.021 nan 8.270 nan 0.000 0.836 526 D N 0.043 120.414 120.400 -0.049 0.000 2.106 526 D HA -0.118 4.521 4.640 -0.001 0.000 0.191 526 D C 1.945 178.217 176.300 -0.046 0.000 0.997 526 D CA 2.250 56.209 54.000 -0.069 0.000 0.834 526 D CB -0.660 40.116 40.800 -0.040 0.000 0.956 526 D HN 0.469 nan 8.370 nan 0.000 0.448 527 T N 1.029 115.573 114.554 -0.016 0.000 2.607 527 T HA -0.192 4.157 4.350 -0.001 0.000 0.267 527 T C 1.921 176.608 174.700 -0.020 0.000 1.049 527 T CA 1.077 63.174 62.100 -0.004 0.000 1.162 527 T CB -0.571 68.308 68.868 0.019 0.000 0.863 527 T HN 0.048 nan 8.240 nan 0.000 0.424 528 L N 0.795 122.005 121.223 -0.021 0.000 2.131 528 L HA -0.011 4.329 4.340 -0.001 0.000 0.210 528 L C 2.654 179.489 176.870 -0.058 0.000 1.092 528 L CA 1.473 56.294 54.840 -0.031 0.000 0.759 528 L CB -0.814 41.236 42.059 -0.015 0.000 0.903 528 L HN 0.557 nan 8.230 nan 0.000 0.435 529 C N -0.823 118.422 119.300 -0.091 0.000 2.518 529 C HA 0.153 4.613 4.460 -0.001 0.000 0.279 529 C C 2.749 177.672 174.990 -0.112 0.000 1.279 529 C CA 0.460 59.387 59.018 -0.151 0.000 1.703 529 C CB -1.505 26.054 27.740 -0.301 0.000 2.072 529 C HN 0.587 nan 8.230 nan 0.000 0.487 530 G N 0.150 108.916 108.800 -0.057 0.000 2.534 530 G HA2 -0.041 3.918 3.960 -0.001 0.000 0.217 530 G HA3 -0.041 3.918 3.960 -0.001 0.000 0.217 530 G C 1.555 176.420 174.900 -0.058 0.000 1.128 530 G CA 0.717 45.856 45.100 0.065 0.000 0.784 530 G HN 0.657 nan 8.290 nan 0.000 0.542 531 I N -0.498 120.023 120.570 -0.082 0.000 2.493 531 I HA -0.050 4.119 4.170 -0.001 0.000 0.254 531 I C 2.808 178.831 176.117 -0.156 0.000 1.160 531 I CA 0.591 61.810 61.300 -0.136 0.000 1.445 531 I CB 0.020 37.963 38.000 -0.096 0.000 1.086 531 I HN 0.105 nan 8.210 nan 0.000 0.433 532 R N 0.717 121.155 120.500 -0.103 0.000 2.062 532 R HA -0.155 4.184 4.340 -0.001 0.000 0.229 532 R C 2.258 178.502 176.300 -0.094 0.000 1.128 532 R CA 1.328 57.380 56.100 -0.080 0.000 0.960 532 R CB -0.028 30.249 30.300 -0.038 0.000 0.855 532 R HN 0.313 nan 8.270 nan 0.000 0.432 533 K N 0.528 120.889 120.400 -0.065 0.000 1.991 533 K HA -0.186 4.133 4.320 -0.001 0.000 0.212 533 K C 2.080 178.492 176.600 -0.315 0.000 1.049 533 K CA 1.457 57.728 56.287 -0.026 0.000 0.932 533 K CB -0.440 32.206 32.500 0.243 0.000 0.717 533 K HN 0.069 nan 8.250 nan 0.000 0.441 534 L N 0.974 121.724 121.223 -0.789 0.000 2.189 534 L HA -0.196 4.143 4.340 -0.001 0.000 0.214 534 L C 2.031 178.547 176.870 -0.590 0.000 1.097 534 L CA 1.839 55.942 54.840 -1.229 0.000 0.764 534 L CB -0.383 40.938 42.059 -1.229 0.000 0.900 534 L HN 0.108 nan 8.230 nan 0.000 0.436 535 T N -1.223 113.113 114.554 -0.363 0.000 3.014 535 T HA 0.237 4.586 4.350 -0.001 0.000 0.250 535 T C 0.871 175.465 174.700 -0.178 0.000 1.060 535 T CA -0.460 61.496 62.100 -0.241 0.000 1.040 535 T CB -0.170 68.588 68.868 -0.182 0.000 0.971 535 T HN 0.151 nan 8.240 nan 0.000 0.497 536 L N 1.880 123.011 121.223 -0.153 0.000 2.621 536 L HA -0.074 4.265 4.340 -0.001 0.000 0.313 536 L C 1.986 178.764 176.870 -0.153 0.000 1.277 536 L CA 0.277 55.052 54.840 -0.108 0.000 0.857 536 L CB 0.416 42.436 42.059 -0.065 0.000 1.093 536 L HN 0.153 nan 8.230 nan 0.000 0.527 537 R N 0.771 121.203 120.500 -0.113 0.000 2.115 537 R HA -0.134 4.205 4.340 -0.001 0.000 0.230 537 R C 1.207 177.351 176.300 -0.259 0.000 1.111 537 R CA 1.169 57.183 56.100 -0.143 0.000 0.976 537 R CB -0.162 30.111 30.300 -0.045 0.000 0.870 537 R HN 0.673 nan 8.270 nan 0.000 0.445 538 D N 0.302 120.607 120.400 -0.157 0.000 2.310 538 D HA -0.046 4.594 4.640 -0.001 0.000 0.212 538 D C -0.022 176.139 176.300 -0.232 0.000 0.965 538 D CA 0.870 54.809 54.000 -0.101 0.000 0.879 538 D CB 0.129 40.941 40.800 0.019 0.000 0.921 538 D HN 0.049 nan 8.370 nan 0.000 0.510 539 T N 0.824 115.165 114.554 -0.354 0.000 2.729 539 T HA 0.324 4.674 4.350 -0.001 0.000 0.296 539 T C -0.131 174.279 174.700 -0.483 0.000 0.928 539 T CA -0.128 61.828 62.100 -0.239 0.000 1.045 539 T CB 0.270 69.047 68.868 -0.151 0.000 0.902 539 T HN -0.173 nan 8.240 nan 0.000 0.500 540 F N 3.316 123.365 119.950 0.165 0.000 2.563 540 F HA 0.644 5.171 4.527 -0.001 0.000 0.316 540 F C 0.284 176.228 175.800 0.239 0.000 1.076 540 F CA -1.393 56.716 58.000 0.182 0.000 0.921 540 F CB 1.577 40.666 39.000 0.148 0.000 1.209 540 F HN 0.344 nan 8.300 nan 0.000 0.462 541 I N -0.156 120.697 120.570 0.473 0.000 2.785 541 I HA 0.645 4.814 4.170 -0.001 0.000 0.302 541 I C -1.169 175.179 176.117 0.384 0.000 1.069 541 I CA -0.874 60.649 61.300 0.372 0.000 1.045 541 I CB 2.086 40.269 38.000 0.304 0.000 1.236 541 I HN 0.684 nan 8.210 nan 0.000 0.429 542 E N 2.993 123.350 120.200 0.262 0.000 2.299 542 E HA 0.356 4.705 4.350 -0.001 0.000 0.260 542 E C 0.358 177.018 176.600 0.101 0.000 0.944 542 E CA -0.915 55.645 56.400 0.268 0.000 0.815 542 E CB 2.251 32.077 29.700 0.209 0.000 1.252 542 E HN 0.485 nan 8.360 nan 0.000 0.418 543 L N 1.781 123.075 121.223 0.118 0.000 1.965 543 L HA -0.348 3.992 4.340 -0.001 0.000 0.226 543 L C 1.534 178.340 176.870 -0.107 0.000 1.083 543 L CA 3.157 57.958 54.840 -0.065 0.000 0.790 543 L CB -1.017 41.093 42.059 0.084 0.000 0.898 543 L HN 0.911 nan 8.230 nan 0.000 0.439 544 D N -1.623 118.763 120.400 -0.023 0.000 2.412 544 D HA -0.389 4.251 4.640 -0.001 0.000 0.191 544 D C 1.972 178.258 176.300 -0.022 0.000 1.019 544 D CA 2.307 56.297 54.000 -0.017 0.000 0.866 544 D CB -0.742 40.062 40.800 0.008 0.000 0.966 544 D HN 0.631 nan 8.370 nan 0.000 0.459 545 Q N -0.161 119.644 119.800 0.009 0.000 2.046 545 Q HA -0.094 4.245 4.340 -0.001 0.000 0.200 545 Q C 2.441 178.438 176.000 -0.005 0.000 0.975 545 Q CA 1.208 57.065 55.803 0.091 0.000 0.836 545 Q CB 0.036 28.858 28.738 0.141 0.000 0.896 545 Q HN 0.307 nan 8.270 nan 0.000 0.428 546 V N 1.256 121.080 119.914 -0.151 0.000 2.380 546 V HA -0.298 3.821 4.120 -0.001 0.000 0.251 546 V C 2.137 177.993 176.094 -0.398 0.000 1.063 546 V CA 1.620 63.694 62.300 -0.376 0.000 1.055 546 V CB -0.551 30.761 31.823 -0.853 0.000 0.657 546 V HN 0.362 nan 8.190 nan 0.000 0.455 547 L N -0.397 120.643 121.223 -0.304 0.000 2.240 547 L HA -0.002 4.337 4.340 -0.001 0.000 0.211 547 L C 2.294 179.039 176.870 -0.208 0.000 1.106 547 L CA 0.950 55.631 54.840 -0.265 0.000 0.793 547 L CB -0.644 41.320 42.059 -0.158 0.000 0.927 547 L HN 0.283 nan 8.230 nan 0.000 0.446 548 N N 0.155 118.765 118.700 -0.150 0.000 2.207 548 N HA -0.035 4.704 4.740 -0.001 0.000 0.182 548 N C 1.926 177.256 175.510 -0.299 0.000 1.020 548 N CA 1.188 54.145 53.050 -0.154 0.000 0.858 548 N CB -0.049 38.396 38.487 -0.069 0.000 0.991 548 N HN 0.325 nan 8.380 nan 0.000 0.427 549 M N 0.467 119.851 119.600 -0.361 0.000 2.067 549 M HA -0.121 4.359 4.480 -0.001 0.000 0.260 549 M C 2.180 178.305 176.300 -0.291 0.000 1.069 549 M CA 1.351 56.464 55.300 -0.311 0.000 1.117 549 M CB -0.753 31.754 32.600 -0.155 0.000 1.334 549 M HN 0.046 nan 8.290 nan 0.000 0.407 550 L N -0.701 120.245 121.223 -0.462 0.000 1.990 550 L HA -0.272 4.067 4.340 -0.001 0.000 0.213 550 L C 2.817 179.277 176.870 -0.684 0.000 1.072 550 L CA 1.869 56.186 54.840 -0.871 0.000 0.755 550 L CB -0.920 40.317 42.059 -1.369 0.000 0.889 550 L HN 0.263 nan 8.230 nan 0.000 0.432 551 Y N -0.927 119.055 120.300 -0.530 0.000 2.224 551 Y HA -0.273 4.276 4.550 -0.001 0.000 0.289 551 Y C 2.162 177.994 175.900 -0.113 0.000 1.146 551 Y CA 1.006 58.992 58.100 -0.189 0.000 1.182 551 Y CB -0.656 37.717 38.460 -0.146 0.000 0.983 551 Y HN 0.114 nan 8.280 nan 0.000 0.524 552 W N -0.066 121.017 121.300 -0.362 0.000 2.468 552 W HA -0.030 4.629 4.660 -0.001 0.000 0.262 552 W C 0.337 176.711 176.519 -0.241 0.000 1.241 552 W CA 0.538 57.666 57.345 -0.361 0.000 1.232 552 W CB 0.002 29.215 29.460 -0.412 0.000 1.124 552 W HN -0.311 nan 8.180 nan 0.000 0.597 553 V N 3.246 123.193 119.914 0.055 0.000 2.432 553 V HA 0.033 4.152 4.120 -0.001 0.000 0.271 553 V C -0.931 175.234 176.094 0.117 0.000 1.046 553 V CA -1.028 61.322 62.300 0.083 0.000 0.945 553 V CB 1.300 33.149 31.823 0.043 0.000 0.992 553 V HN -0.130 nan 8.190 nan 0.000 0.471 554 P HA 0.046 nan 4.420 nan 0.000 0.236 554 P C 0.367 177.719 177.300 0.087 0.000 1.177 554 P CA 0.671 63.806 63.100 0.057 0.000 0.773 554 P CB 0.552 32.280 31.700 0.047 0.000 0.878 555 D N -1.472 119.001 120.400 0.121 0.000 2.501 555 D HA 0.044 4.684 4.640 -0.001 0.000 0.226 555 D C -0.390 176.002 176.300 0.152 0.000 1.198 555 D CA -0.383 53.679 54.000 0.102 0.000 0.830 555 D CB -0.119 40.725 40.800 0.073 0.000 1.014 555 D HN 0.143 nan 8.370 nan 0.000 0.496 556 W N 3.469 124.778 121.300 0.015 0.000 2.419 556 W HA 0.093 4.752 4.660 -0.001 0.000 0.312 556 W C 0.612 177.150 176.519 0.032 0.000 1.323 556 W CA -0.995 56.365 57.345 0.025 0.000 1.293 556 W CB 0.538 30.018 29.460 0.034 0.000 1.324 556 W HN -0.078 nan 8.180 nan 0.000 0.512 557 D N 3.495 123.627 120.400 -0.448 0.000 2.379 557 D HA 0.040 4.679 4.640 -0.001 0.000 0.243 557 D C 1.564 177.370 176.300 -0.823 0.000 1.088 557 D CA 0.604 54.313 54.000 -0.484 0.000 0.925 557 D CB -0.622 40.030 40.800 -0.247 0.000 0.888 557 D HN 0.747 nan 8.370 nan 0.000 0.529 558 G N -0.456 107.249 108.800 -1.825 0.000 2.295 558 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.287 558 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.287 558 G C -0.026 174.392 174.900 -0.802 0.000 1.055 558 G CA 0.236 44.282 45.100 -1.756 0.000 0.922 558 G HN 0.454 nan 8.290 nan 0.000 0.503 559 V N 2.692 122.298 119.914 -0.513 0.000 2.276 559 V HA 0.277 4.396 4.120 -0.001 0.000 0.268 559 V C 0.836 177.169 176.094 0.400 0.000 1.032 559 V CA -1.342 60.972 62.300 0.023 0.000 0.810 559 V CB 0.922 32.746 31.823 0.002 0.000 1.060 559 V HN 0.379 nan 8.190 nan 0.000 0.446 560 I N 5.974 126.835 120.570 0.485 0.000 2.943 560 I HA 0.041 4.210 4.170 -0.001 0.000 0.296 560 I C -1.411 174.916 176.117 0.351 0.000 1.220 560 I CA -0.536 61.020 61.300 0.428 0.000 1.409 560 I CB -0.428 37.764 38.000 0.319 0.000 1.374 560 I HN 0.366 nan 8.210 nan 0.000 0.545 561 P HA 0.166 nan 4.420 nan 0.000 0.277 561 P C -0.281 177.254 177.300 0.391 0.000 1.240 561 P CA -0.370 62.927 63.100 0.328 0.000 0.798 561 P CB 0.536 32.421 31.700 0.307 0.000 0.979 562 T N 4.408 119.087 114.554 0.209 0.000 2.928 562 T HA 0.181 4.530 4.350 -0.001 0.000 0.305 562 T C -1.839 172.819 174.700 -0.070 0.000 1.035 562 T CA -0.473 61.675 62.100 0.080 0.000 1.145 562 T CB -0.460 68.425 68.868 0.030 0.000 0.963 562 T HN 0.426 nan 8.240 nan 0.000 0.545 563 P HA 0.248 nan 4.420 nan 0.000 0.274 563 P C 0.407 177.435 177.300 -0.454 0.000 1.231 563 P CA -0.431 62.053 63.100 -1.026 0.000 0.790 563 P CB 0.772 31.474 31.700 -1.663 0.000 0.951 564 A N 3.270 125.905 122.820 -0.307 0.000 1.972 564 A HA -0.034 4.285 4.320 -0.001 0.000 0.219 564 A C 1.256 178.754 177.584 -0.144 0.000 1.169 564 A CA 1.114 53.081 52.037 -0.117 0.000 0.635 564 A CB -0.728 18.288 19.000 0.026 0.000 0.810 564 A HN 0.565 nan 8.150 nan 0.000 0.446 565 I N -0.104 120.324 120.570 -0.237 0.000 2.389 565 I HA 0.302 4.471 4.170 -0.001 0.000 0.288 565 I C 0.270 176.227 176.117 -0.268 0.000 0.999 565 I CA -0.228 60.938 61.300 -0.224 0.000 1.129 565 I CB 1.807 39.656 38.000 -0.252 0.000 1.288 565 I HN 0.182 nan 8.210 nan 0.000 0.444 566 I N 4.789 125.246 120.570 -0.187 0.000 4.139 566 I HA 0.055 4.224 4.170 -0.001 0.000 0.320 566 I C 1.409 177.462 176.117 -0.107 0.000 1.290 566 I CA -0.259 60.946 61.300 -0.158 0.000 1.253 566 I CB -0.238 37.689 38.000 -0.121 0.000 1.122 566 I HN 0.535 nan 8.210 nan 0.000 0.421 567 K N 3.601 123.943 120.400 -0.097 0.000 2.177 567 K HA 0.011 4.330 4.320 -0.001 0.000 0.246 567 K C -1.954 174.603 176.600 -0.071 0.000 1.077 567 K CA -0.752 55.490 56.287 -0.074 0.000 0.786 567 K CB -1.323 31.133 32.500 -0.074 0.000 1.073 567 K HN -0.154 nan 8.250 nan 0.000 0.530 568 P HA -0.152 nan 4.420 nan 0.000 0.252 568 P C -0.858 176.412 177.300 -0.051 0.000 1.136 568 P CA 1.081 64.155 63.100 -0.043 0.000 0.778 568 P CB -0.122 31.554 31.700 -0.040 0.000 0.722 569 K N 2.777 123.158 120.400 -0.032 0.000 6.195 569 K HA -0.094 4.225 4.320 -0.001 0.000 0.682 569 K C -2.364 174.212 176.600 -0.041 0.000 1.565 569 K CA -0.371 55.908 56.287 -0.014 0.000 1.637 569 K CB -0.493 32.003 32.500 -0.007 0.000 1.930 569 K HN 0.315 nan 8.250 nan 0.000 0.344 570 P HA -0.052 nan 4.420 nan 0.000 0.253 570 P C -0.634 176.617 177.300 -0.082 0.000 1.170 570 P CA 0.193 63.205 63.100 -0.147 0.000 0.806 570 P CB 0.373 32.011 31.700 -0.104 0.000 0.775 571 L N 4.840 125.952 121.223 -0.184 0.000 2.342 571 L HA 0.559 4.898 4.340 -0.001 0.000 0.271 571 L C -0.192 176.677 176.870 -0.002 0.000 1.008 571 L CA -0.472 54.414 54.840 0.076 0.000 0.818 571 L CB 1.353 43.377 42.059 -0.058 0.000 1.296 571 L HN 0.379 nan 8.230 nan 0.000 0.427 572 W N 1.211 122.628 121.300 0.195 0.000 2.578 572 W HA 0.461 5.120 4.660 -0.001 0.000 0.346 572 W C 0.196 176.914 176.519 0.331 0.000 1.075 572 W CA -0.684 56.785 57.345 0.208 0.000 1.233 572 W CB 2.167 31.704 29.460 0.128 0.000 1.358 572 W HN 0.398 nan 8.180 nan 0.000 0.574 573 S N 0.697 116.645 115.700 0.413 0.000 2.584 573 S HA 0.316 4.786 4.470 -0.001 0.000 0.273 573 S C 1.214 175.849 174.600 0.059 0.000 1.311 573 S CA 0.350 58.632 58.200 0.136 0.000 1.034 573 S CB 1.286 64.500 63.200 0.023 0.000 0.939 573 S HN 0.637 nan 8.310 nan 0.000 0.513 574 G N 3.762 112.497 108.800 -0.109 0.000 2.491 574 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.218 574 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.218 574 G C 1.341 176.159 174.900 -0.136 0.000 1.180 574 G CA 1.067 46.061 45.100 -0.176 0.000 0.774 574 G HN 0.836 nan 8.290 nan 0.000 0.562 575 K N -0.042 120.282 120.400 -0.128 0.000 2.052 575 K HA -0.273 4.046 4.320 -0.001 0.000 0.215 575 K C 2.558 179.139 176.600 -0.032 0.000 1.053 575 K CA 1.868 58.103 56.287 -0.085 0.000 0.934 575 K CB -0.365 32.096 32.500 -0.064 0.000 0.717 575 K HN 0.423 nan 8.250 nan 0.000 0.450 576 Q N 0.627 120.444 119.800 0.029 0.000 1.967 576 Q HA -0.226 4.113 4.340 -0.001 0.000 0.210 576 Q C 2.291 178.340 176.000 0.081 0.000 1.005 576 Q CA 2.463 58.324 55.803 0.095 0.000 0.862 576 Q CB -0.322 28.540 28.738 0.206 0.000 0.939 576 Q HN 0.523 nan 8.270 nan 0.000 0.417 577 I N -1.349 119.268 120.570 0.079 0.000 2.335 577 I HA -0.203 3.967 4.170 -0.001 0.000 0.251 577 I C 2.147 178.239 176.117 -0.041 0.000 1.129 577 I CA 0.910 62.210 61.300 -0.000 0.000 1.402 577 I CB -0.471 37.488 38.000 -0.068 0.000 1.069 577 I HN 0.225 nan 8.210 nan 0.000 0.424 578 L N 1.571 122.761 121.223 -0.054 0.000 2.042 578 L HA -0.173 4.167 4.340 -0.001 0.000 0.210 578 L C 2.467 179.309 176.870 -0.046 0.000 1.076 578 L CA 2.026 56.823 54.840 -0.072 0.000 0.749 578 L CB -1.133 40.863 42.059 -0.105 0.000 0.893 578 L HN 0.357 nan 8.230 nan 0.000 0.432 579 S N -0.994 114.691 115.700 -0.025 0.000 2.442 579 S HA -0.103 4.367 4.470 -0.001 0.000 0.236 579 S C 1.826 176.433 174.600 0.011 0.000 1.007 579 S CA 1.099 59.292 58.200 -0.011 0.000 0.965 579 S CB -0.537 62.666 63.200 0.005 0.000 0.773 579 S HN 0.398 nan 8.310 nan 0.000 0.504 580 V N 1.218 121.145 119.914 0.021 0.000 3.241 580 V HA -0.027 4.092 4.120 -0.001 0.000 0.269 580 V C 2.165 178.286 176.094 0.045 0.000 1.151 580 V CA 1.290 63.624 62.300 0.055 0.000 1.158 580 V CB -1.317 30.523 31.823 0.029 0.000 0.764 580 V HN 0.554 nan 8.190 nan 0.000 0.508 581 A N -0.439 122.385 122.820 0.007 0.000 2.063 581 A HA 0.352 4.671 4.320 -0.001 0.000 0.211 581 A C 1.025 178.603 177.584 -0.010 0.000 1.177 581 A CA 0.077 52.115 52.037 0.001 0.000 0.759 581 A CB -0.002 18.985 19.000 -0.023 0.000 0.857 581 A HN 0.471 nan 8.150 nan 0.000 0.468 582 I N 1.991 122.549 120.570 -0.020 0.000 2.352 582 I HA 0.203 4.373 4.170 -0.001 0.000 0.290 582 I C -2.160 173.943 176.117 -0.023 0.000 1.036 582 I CA -2.069 59.209 61.300 -0.037 0.000 1.336 582 I CB 1.304 39.274 38.000 -0.050 0.000 1.407 582 I HN 0.087 nan 8.210 nan 0.000 0.497 583 P HA 0.052 nan 4.420 nan 0.000 0.285 583 P C -1.116 176.163 177.300 -0.035 0.000 1.282 583 P CA -0.288 62.798 63.100 -0.023 0.000 0.778 583 P CB 0.380 32.061 31.700 -0.031 0.000 1.222 584 N N -1.026 117.654 118.700 -0.033 0.000 2.456 584 N HA 0.470 5.209 4.740 -0.001 0.000 0.288 584 N C 0.699 176.157 175.510 -0.086 0.000 1.059 584 N CA 0.252 53.281 53.050 -0.036 0.000 0.946 584 N CB 0.166 38.646 38.487 -0.011 0.000 1.150 584 N HN 0.717 nan 8.380 nan 0.000 0.479 585 G N 0.924 109.653 108.800 -0.117 0.000 2.147 585 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.244 585 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.244 585 G C -0.391 174.069 174.900 -0.733 0.000 1.005 585 G CA -0.438 44.487 45.100 -0.291 0.000 0.713 585 G HN 0.475 nan 8.290 nan 0.000 0.515 586 I N 2.735 123.032 120.570 -0.455 0.000 2.308 586 I HA 0.309 4.478 4.170 -0.001 0.000 0.293 586 I C 0.281 176.198 176.117 -0.334 0.000 1.078 586 I CA -0.554 60.527 61.300 -0.364 0.000 1.292 586 I CB -0.070 37.829 38.000 -0.167 0.000 1.423 586 I HN 0.155 nan 8.210 nan 0.000 0.493 587 H N 7.180 126.233 119.070 -0.029 0.000 2.492 587 H HA 0.728 5.284 4.556 -0.001 0.000 0.345 587 H C -0.524 174.775 175.328 -0.048 0.000 1.136 587 H CA -0.958 55.065 56.048 -0.041 0.000 1.202 587 H CB 3.014 32.762 29.762 -0.023 0.000 1.524 587 H HN 0.498 nan 8.280 nan 0.000 0.506 588 L N 1.465 122.713 121.223 0.042 0.000 2.643 588 L HA 0.277 4.616 4.340 -0.001 0.000 0.257 588 L C -1.743 175.082 176.870 -0.075 0.000 0.922 588 L CA -0.278 54.550 54.840 -0.019 0.000 0.909 588 L CB 2.486 44.517 42.059 -0.048 0.000 1.424 588 L HN 0.630 nan 8.230 nan 0.000 0.422 589 Q N 3.923 123.686 119.800 -0.061 0.000 2.359 589 Q HA 0.512 4.851 4.340 -0.001 0.000 0.274 589 Q C -0.935 175.018 176.000 -0.078 0.000 1.074 589 Q CA -0.550 55.185 55.803 -0.114 0.000 0.810 589 Q CB 2.709 31.427 28.738 -0.033 0.000 1.342 589 Q HN 0.828 nan 8.270 nan 0.000 0.427 590 R N 1.873 122.270 120.500 -0.171 0.000 3.007 590 R HA 0.291 4.631 4.340 -0.001 0.000 0.162 590 R C -0.769 175.600 176.300 0.115 0.000 1.083 590 R CA 0.258 56.339 56.100 -0.031 0.000 1.093 590 R CB 0.711 30.998 30.300 -0.022 0.000 1.305 590 R HN 0.751 nan 8.270 nan 0.000 0.511 591 F N 2.054 122.070 119.950 0.111 0.000 2.145 591 F HA -0.233 4.293 4.527 -0.001 0.000 0.458 591 F C 0.456 176.281 175.800 0.042 0.000 1.218 591 F CA 0.251 58.300 58.000 0.081 0.000 1.489 591 F CB -0.665 38.369 39.000 0.057 0.000 2.341 591 F HN 0.312 nan 8.300 nan 0.000 0.736 592 D N 1.585 122.084 120.400 0.165 0.000 2.099 592 D HA -0.003 4.637 4.640 -0.001 0.000 0.278 592 D C 1.458 177.812 176.300 0.090 0.000 1.140 592 D CA 0.825 54.883 54.000 0.098 0.000 0.894 592 D CB 0.057 40.891 40.800 0.057 0.000 0.945 592 D HN 0.568 nan 8.370 nan 0.000 0.338 593 E N 0.404 120.641 120.200 0.062 0.000 3.268 593 E HA 0.240 4.590 4.350 -0.001 0.000 0.447 593 E C 0.503 177.133 176.600 0.051 0.000 0.300 593 E CA -0.055 56.369 56.400 0.040 0.000 2.603 593 E CB -0.551 29.159 29.700 0.016 0.000 2.252 593 E HN 0.174 nan 8.360 nan 0.000 0.437 594 G N 0.877 109.693 108.800 0.026 0.000 2.852 594 G HA2 0.205 4.164 3.960 -0.001 0.000 0.280 594 G HA3 0.205 4.164 3.960 -0.001 0.000 0.280 594 G C -0.814 174.103 174.900 0.028 0.000 0.731 594 G CA 0.165 45.276 45.100 0.017 0.000 2.037 594 G HN 0.158 nan 8.290 nan 0.000 0.560 595 T N 0.693 115.299 114.554 0.087 0.000 2.779 595 T HA 0.447 4.796 4.350 -0.001 0.000 0.280 595 T C 0.964 175.778 174.700 0.189 0.000 0.987 595 T CA -0.453 61.729 62.100 0.136 0.000 0.966 595 T CB 1.594 70.653 68.868 0.318 0.000 0.933 595 T HN 0.361 nan 8.240 nan 0.000 0.442 596 T N 0.243 114.825 114.554 0.047 0.000 3.296 596 T HA 0.307 4.656 4.350 -0.001 0.000 0.285 596 T C 1.063 175.796 174.700 0.054 0.000 1.014 596 T CA -0.544 61.585 62.100 0.048 0.000 0.920 596 T CB -0.777 68.082 68.868 -0.015 0.000 1.143 596 T HN 0.541 nan 8.240 nan 0.000 0.522 597 L N -0.692 120.585 121.223 0.090 0.000 4.839 597 L HA -0.176 4.163 4.340 -0.001 0.000 0.445 597 L C 1.093 177.892 176.870 -0.118 0.000 1.101 597 L CA 0.876 55.742 54.840 0.043 0.000 0.952 597 L CB -1.329 40.845 42.059 0.191 0.000 1.871 597 L HN 0.441 nan 8.230 nan 0.000 0.893 598 L N -0.366 120.745 121.223 -0.186 0.000 3.184 598 L HA 0.263 4.603 4.340 -0.001 0.000 0.283 598 L C 0.841 177.562 176.870 -0.248 0.000 1.218 598 L CA 0.362 55.100 54.840 -0.169 0.000 1.028 598 L CB 0.423 42.438 42.059 -0.074 0.000 1.400 598 L HN 0.299 nan 8.230 nan 0.000 0.591 599 S N 2.509 117.951 115.700 -0.429 0.000 3.494 599 S HA -0.106 4.363 4.470 -0.001 0.000 0.161 599 S C -1.500 172.985 174.600 -0.192 0.000 0.413 599 S CA 0.099 58.067 58.200 -0.387 0.000 1.399 599 S CB -0.632 62.175 63.200 -0.654 0.000 1.004 599 S HN 0.462 nan 8.310 nan 0.000 0.280 600 P HA 0.020 nan 4.420 nan 0.000 0.247 600 P C 0.510 177.782 177.300 -0.048 0.000 1.225 600 P CA 0.579 63.639 63.100 -0.066 0.000 0.768 600 P CB 0.207 31.879 31.700 -0.047 0.000 1.020 601 K N -0.708 119.658 120.400 -0.057 0.000 2.380 601 K HA 0.043 4.363 4.320 -0.001 0.000 0.198 601 K C 0.097 176.678 176.600 -0.030 0.000 1.070 601 K CA 0.005 56.272 56.287 -0.033 0.000 1.040 601 K CB 0.095 32.581 32.500 -0.023 0.000 0.903 601 K HN -0.144 nan 8.250 nan 0.000 0.549 602 D N 2.261 122.628 120.400 -0.055 0.000 2.708 602 D HA -0.157 4.483 4.640 -0.001 0.000 0.236 602 D C -0.729 175.577 176.300 0.009 0.000 1.146 602 D CA 0.654 54.636 54.000 -0.029 0.000 0.662 602 D CB -0.905 39.893 40.800 -0.003 0.000 1.059 602 D HN 0.437 nan 8.370 nan 0.000 0.428 603 N N -0.154 118.540 118.700 -0.009 0.000 2.592 603 N HA 0.708 5.448 4.740 -0.001 0.000 0.292 603 N C 0.881 176.429 175.510 0.063 0.000 1.260 603 N CA 0.359 53.427 53.050 0.029 0.000 0.910 603 N CB 1.035 39.532 38.487 0.017 0.000 1.257 603 N HN 0.540 nan 8.380 nan 0.000 0.569 604 G N -1.263 107.587 108.800 0.084 0.000 2.681 604 G HA2 0.176 4.135 3.960 -0.001 0.000 0.220 604 G HA3 0.176 4.135 3.960 -0.001 0.000 0.220 604 G C -0.973 174.007 174.900 0.135 0.000 1.353 604 G CA 0.188 45.355 45.100 0.112 0.000 0.872 604 G HN 1.077 nan 8.290 nan 0.000 0.557 605 M N -1.085 118.530 119.600 0.024 0.000 2.333 605 M HA 0.721 5.200 4.480 -0.001 0.000 0.286 605 M C -2.065 173.945 176.300 -0.482 0.000 1.113 605 M CA -0.674 54.511 55.300 -0.191 0.000 0.959 605 M CB 1.836 34.360 32.600 -0.127 0.000 1.776 605 M HN 1.739 nan 8.290 nan 0.000 0.492 606 L N 6.727 127.447 121.223 -0.837 0.000 2.457 606 L HA 0.729 5.069 4.340 -0.001 0.000 0.266 606 L C -2.087 174.494 176.870 -0.482 0.000 0.979 606 L CA -0.138 54.250 54.840 -0.754 0.000 0.857 606 L CB 1.389 42.722 42.059 -1.210 0.000 1.213 606 L HN 0.783 nan 8.230 nan 0.000 0.418 607 I N 6.303 126.716 120.570 -0.262 0.000 2.355 607 I HA 0.412 4.582 4.170 -0.001 0.000 0.288 607 I C -0.471 175.610 176.117 -0.060 0.000 0.999 607 I CA -0.414 60.794 61.300 -0.154 0.000 1.163 607 I CB 1.542 39.475 38.000 -0.113 0.000 1.316 607 I HN 0.486 nan 8.210 nan 0.000 0.454 608 I N 5.959 126.510 120.570 -0.032 0.000 2.371 608 I HA 0.187 4.356 4.170 -0.001 0.000 0.282 608 I C -0.519 175.684 176.117 0.143 0.000 1.031 608 I CA -0.372 60.963 61.300 0.058 0.000 1.180 608 I CB 0.880 38.863 38.000 -0.028 0.000 1.336 608 I HN 0.638 nan 8.210 nan 0.000 0.467 609 D N 5.725 126.347 120.400 0.371 0.000 4.307 609 D HA -0.168 4.471 4.640 -0.001 0.000 0.231 609 D C 1.245 177.567 176.300 0.038 0.000 1.031 609 D CA 1.309 55.408 54.000 0.165 0.000 1.233 609 D CB 0.030 40.955 40.800 0.208 0.000 0.755 609 D HN 1.031 nan 8.370 nan 0.000 0.379 610 G N 3.184 111.968 108.800 -0.026 0.000 2.475 610 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.321 610 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.321 610 G C 0.109 175.006 174.900 -0.005 0.000 0.922 610 G CA 1.308 46.394 45.100 -0.024 0.000 0.843 610 G HN 0.611 nan 8.290 nan 0.000 0.511 611 Q N -1.014 118.782 119.800 -0.007 0.000 2.309 611 Q HA 0.462 4.801 4.340 -0.001 0.000 0.273 611 Q C 0.028 176.004 176.000 -0.041 0.000 1.040 611 Q CA -0.849 54.949 55.803 -0.008 0.000 0.834 611 Q CB 2.149 30.896 28.738 0.015 0.000 1.345 611 Q HN 0.633 nan 8.270 nan 0.000 0.414 612 I N 0.652 121.189 120.570 -0.055 0.000 2.331 612 I HA 0.284 4.453 4.170 -0.001 0.000 0.292 612 I C 0.112 176.167 176.117 -0.103 0.000 0.998 612 I CA -0.405 60.833 61.300 -0.103 0.000 1.267 612 I CB 0.543 38.479 38.000 -0.107 0.000 1.386 612 I HN 0.474 nan 8.210 nan 0.000 0.476 613 I N 6.559 127.019 120.570 -0.184 0.000 2.731 613 I HA 0.216 4.385 4.170 -0.001 0.000 0.260 613 I C 0.447 176.553 176.117 -0.019 0.000 1.138 613 I CA 0.920 62.147 61.300 -0.122 0.000 1.461 613 I CB -1.211 36.694 38.000 -0.159 0.000 1.128 613 I HN 0.750 nan 8.210 nan 0.000 0.438 614 F N -0.675 119.241 119.950 -0.057 0.000 2.741 614 F HA 0.730 5.256 4.527 -0.001 0.000 0.313 614 F C -0.248 175.504 175.800 -0.079 0.000 1.153 614 F CA -1.421 56.542 58.000 -0.063 0.000 0.931 614 F CB 0.842 39.806 39.000 -0.060 0.000 1.335 614 F HN 0.051 nan 8.300 nan 0.000 0.460 615 G N 1.054 110.050 108.800 0.327 0.000 3.445 615 G HA2 0.204 4.163 3.960 -0.001 0.000 0.686 615 G HA3 0.204 4.163 3.960 -0.001 0.000 0.686 615 G C -1.195 173.736 174.900 0.051 0.000 1.113 615 G CA -0.693 44.543 45.100 0.226 0.000 0.974 615 G HN 1.326 nan 8.290 nan 0.000 0.492 616 V N 3.167 123.097 119.914 0.026 0.000 2.539 616 V HA 0.051 4.170 4.120 -0.001 0.000 0.294 616 V C 1.634 177.710 176.094 -0.030 0.000 0.994 616 V CA 0.210 62.500 62.300 -0.018 0.000 1.169 616 V CB 0.550 32.366 31.823 -0.013 0.000 0.898 616 V HN 0.787 nan 8.190 nan 0.000 0.471 617 V N 6.626 126.505 119.914 -0.057 0.000 2.673 617 V HA 0.274 4.393 4.120 -0.001 0.000 0.303 617 V C 0.411 176.473 176.094 -0.054 0.000 1.046 617 V CA 0.375 62.637 62.300 -0.063 0.000 1.126 617 V CB 0.873 32.645 31.823 -0.085 0.000 0.934 617 V HN 1.207 nan 8.190 nan 0.000 0.487 618 E N 2.996 123.172 120.200 -0.041 0.000 1.740 618 E HA 0.288 4.638 4.350 -0.001 0.000 0.141 618 E C 0.836 177.422 176.600 -0.024 0.000 1.657 618 E CA -0.511 55.870 56.400 -0.032 0.000 1.018 618 E CB 0.178 29.865 29.700 -0.021 0.000 1.903 618 E HN 0.091 nan 8.360 nan 0.000 0.626 619 K N 0.353 120.745 120.400 -0.013 0.000 2.009 619 K HA -0.069 4.251 4.320 -0.001 0.000 0.210 619 K C 1.637 178.236 176.600 -0.002 0.000 1.049 619 K CA 1.831 58.116 56.287 -0.004 0.000 0.929 619 K CB -0.204 32.298 32.500 0.004 0.000 0.714 619 K HN 0.305 nan 8.250 nan 0.000 0.440 620 K N -0.416 119.983 120.400 -0.002 0.000 2.442 620 K HA -0.075 4.245 4.320 -0.001 0.000 0.198 620 K C 1.595 178.191 176.600 -0.005 0.000 1.044 620 K CA 1.441 57.729 56.287 0.002 0.000 0.948 620 K CB 0.169 32.672 32.500 0.004 0.000 0.762 620 K HN 0.276 nan 8.250 nan 0.000 0.472 621 T N -0.759 113.783 114.554 -0.019 0.000 3.082 621 T HA -0.013 4.336 4.350 -0.001 0.000 0.235 621 T C 1.370 176.046 174.700 -0.040 0.000 0.991 621 T CA 0.257 62.337 62.100 -0.034 0.000 1.220 621 T CB 0.070 68.908 68.868 -0.050 0.000 0.909 621 T HN -0.034 nan 8.240 nan 0.000 0.424 622 V N 2.101 121.987 119.914 -0.046 0.000 3.421 622 V HA 0.471 4.590 4.120 -0.001 0.000 0.316 622 V C 1.014 177.089 176.094 -0.031 0.000 1.347 622 V CA -0.076 62.187 62.300 -0.062 0.000 1.183 622 V CB -0.905 30.874 31.823 -0.073 0.000 1.092 622 V HN 0.498 nan 8.190 nan 0.000 0.433 623 G N 0.408 109.203 108.800 -0.009 0.000 2.494 623 G HA2 0.221 4.180 3.960 -0.001 0.000 0.270 623 G HA3 0.221 4.180 3.960 -0.001 0.000 0.270 623 G C 0.794 175.711 174.900 0.029 0.000 1.423 623 G CA 0.398 45.507 45.100 0.015 0.000 1.055 623 G HN 0.644 nan 8.290 nan 0.000 0.536 624 S N -0.855 114.870 115.700 0.041 0.000 2.622 624 S HA 0.258 4.727 4.470 -0.001 0.000 0.236 624 S C 1.124 175.747 174.600 0.038 0.000 0.956 624 S CA 0.261 58.486 58.200 0.043 0.000 0.971 624 S CB -0.678 62.551 63.200 0.048 0.000 0.782 624 S HN 0.931 nan 8.310 nan 0.000 0.468 625 S N 1.567 117.291 115.700 0.040 0.000 2.592 625 S HA 0.058 4.527 4.470 -0.001 0.000 0.256 625 S C 1.113 175.765 174.600 0.086 0.000 1.369 625 S CA -0.032 58.200 58.200 0.053 0.000 0.984 625 S CB 0.065 63.288 63.200 0.038 0.000 0.919 625 S HN 0.552 nan 8.310 nan 0.000 0.576 626 N N 0.824 119.585 118.700 0.103 0.000 2.047 626 N HA -0.076 4.663 4.740 -0.001 0.000 0.193 626 N C 1.594 177.221 175.510 0.195 0.000 1.055 626 N CA 1.181 54.333 53.050 0.170 0.000 0.847 626 N CB -0.783 37.770 38.487 0.109 0.000 1.038 626 N HN 0.799 nan 8.380 nan 0.000 0.427 627 G N 0.032 108.881 108.800 0.081 0.000 3.181 627 G HA2 0.256 4.215 3.960 -0.001 0.000 0.219 627 G HA3 0.256 4.215 3.960 -0.001 0.000 0.219 627 G C 0.511 175.427 174.900 0.027 0.000 1.182 627 G CA 0.002 45.117 45.100 0.024 0.000 0.791 627 G HN 0.437 nan 8.290 nan 0.000 0.537 628 G N -0.574 108.263 108.800 0.062 0.000 2.611 628 G HA2 0.256 4.215 3.960 -0.001 0.000 0.273 628 G HA3 0.256 4.215 3.960 -0.001 0.000 0.273 628 G C 0.962 175.872 174.900 0.017 0.000 1.305 628 G CA -0.627 44.489 45.100 0.028 0.000 1.010 628 G HN 0.096 nan 8.290 nan 0.000 0.509 629 L N -0.628 120.578 121.223 -0.029 0.000 2.141 629 L HA -0.011 4.329 4.340 -0.001 0.000 0.209 629 L C 2.540 179.369 176.870 -0.068 0.000 1.094 629 L CA 1.341 56.144 54.840 -0.061 0.000 0.763 629 L CB -0.339 41.663 42.059 -0.096 0.000 0.908 629 L HN 0.483 nan 8.230 nan 0.000 0.437 630 I N -1.233 119.293 120.570 -0.073 0.000 2.480 630 I HA -0.192 3.978 4.170 -0.001 0.000 0.251 630 I C 2.526 178.647 176.117 0.007 0.000 1.124 630 I CA 0.531 61.771 61.300 -0.100 0.000 1.444 630 I CB -0.765 37.140 38.000 -0.157 0.000 1.098 630 I HN 0.211 nan 8.210 nan 0.000 0.428 631 H N 1.377 120.420 119.070 -0.046 0.000 2.265 631 H HA -0.146 4.410 4.556 -0.001 0.000 0.295 631 H C 2.254 177.560 175.328 -0.037 0.000 1.084 631 H CA 2.169 58.200 56.048 -0.028 0.000 1.261 631 H CB -0.313 29.444 29.762 -0.008 0.000 1.360 631 H HN 0.086 nan 8.280 nan 0.000 0.487 632 V N 0.227 120.207 119.914 0.109 0.000 2.215 632 V HA -0.290 3.829 4.120 -0.001 0.000 0.246 632 V C 2.982 179.080 176.094 0.007 0.000 1.047 632 V CA 2.003 64.312 62.300 0.015 0.000 0.999 632 V CB -1.169 30.639 31.823 -0.026 0.000 0.635 632 V HN 0.264 nan 8.190 nan 0.000 0.450 633 V N 0.212 120.112 119.914 -0.024 0.000 2.313 633 V HA -0.347 3.772 4.120 -0.001 0.000 0.253 633 V C 2.451 178.534 176.094 -0.020 0.000 1.070 633 V CA 2.719 64.994 62.300 -0.042 0.000 1.057 633 V CB -1.409 30.368 31.823 -0.076 0.000 0.653 633 V HN 0.724 nan 8.190 nan 0.000 0.450 634 T N -0.353 114.198 114.554 -0.004 0.000 2.542 634 T HA -0.197 4.153 4.350 -0.001 0.000 0.257 634 T C 2.057 176.759 174.700 0.004 0.000 1.111 634 T CA 1.352 63.453 62.100 0.001 0.000 1.203 634 T CB -0.366 68.499 68.868 -0.005 0.000 0.866 634 T HN 0.228 nan 8.240 nan 0.000 0.399 635 R N 0.822 121.339 120.500 0.029 0.000 2.159 635 R HA -0.174 4.166 4.340 -0.001 0.000 0.252 635 R C 2.450 178.757 176.300 0.011 0.000 1.144 635 R CA 1.967 58.077 56.100 0.016 0.000 0.961 635 R CB -0.747 29.582 30.300 0.048 0.000 0.877 635 R HN 0.468 nan 8.270 nan 0.000 0.444 636 E N 0.317 120.523 120.200 0.010 0.000 2.008 636 E HA -0.082 4.267 4.350 -0.001 0.000 0.191 636 E C 1.798 178.404 176.600 0.009 0.000 0.986 636 E CA 1.504 57.909 56.400 0.007 0.000 0.807 636 E CB 0.110 29.801 29.700 -0.015 0.000 0.766 636 E HN 0.093 nan 8.360 nan 0.000 0.450 637 K N -1.200 119.198 120.400 -0.002 0.000 2.168 637 K HA 0.276 4.595 4.320 -0.001 0.000 0.201 637 K C 0.605 177.209 176.600 0.006 0.000 1.049 637 K CA 0.882 57.168 56.287 -0.001 0.000 0.974 637 K CB 1.016 33.507 32.500 -0.015 0.000 0.792 637 K HN 0.221 nan 8.250 nan 0.000 0.463 638 G N 0.106 108.908 108.800 0.004 0.000 2.320 638 G HA2 0.090 4.049 3.960 -0.001 0.000 0.297 638 G HA3 0.090 4.049 3.960 -0.001 0.000 0.297 638 G C -2.871 172.031 174.900 0.003 0.000 1.344 638 G CA -0.752 44.352 45.100 0.006 0.000 0.851 638 G HN -0.267 nan 8.290 nan 0.000 0.567 639 P HA 0.106 nan 4.420 nan 0.000 0.224 639 P C 1.525 178.839 177.300 0.023 0.000 1.159 639 P CA 0.836 63.940 63.100 0.007 0.000 0.824 639 P CB 0.356 32.052 31.700 -0.006 0.000 0.833 640 Q N 0.203 120.013 119.800 0.016 0.000 2.016 640 Q HA -0.056 4.283 4.340 -0.001 0.000 0.200 640 Q C 2.223 178.240 176.000 0.029 0.000 0.978 640 Q CA 1.334 57.150 55.803 0.021 0.000 0.833 640 Q CB -1.777 26.970 28.738 0.014 0.000 0.895 640 Q HN 0.138 nan 8.270 nan 0.000 0.427 641 V N 0.781 120.706 119.914 0.019 0.000 2.688 641 V HA -0.221 3.899 4.120 -0.001 0.000 0.256 641 V C 2.428 178.529 176.094 0.011 0.000 1.084 641 V CA 1.579 63.888 62.300 0.014 0.000 1.103 641 V CB -0.800 31.026 31.823 0.005 0.000 0.688 641 V HN 0.478 nan 8.190 nan 0.000 0.480 642 C N 0.204 119.515 119.300 0.018 0.000 2.519 642 C HA 0.273 4.732 4.460 -0.001 0.000 0.281 642 C C 3.052 178.097 174.990 0.091 0.000 1.331 642 C CA 0.529 59.553 59.018 0.009 0.000 1.725 642 C CB -0.860 26.883 27.740 0.006 0.000 2.079 642 C HN 0.534 nan 8.230 nan 0.000 0.496 643 A N 0.563 123.474 122.820 0.152 0.000 1.933 643 A HA -0.167 4.152 4.320 -0.001 0.000 0.218 643 A C 2.232 179.930 177.584 0.192 0.000 1.175 643 A CA 1.888 54.068 52.037 0.238 0.000 0.628 643 A CB -0.662 18.402 19.000 0.108 0.000 0.814 643 A HN 0.738 nan 8.150 nan 0.000 0.444 644 K N -0.879 119.584 120.400 0.104 0.000 2.057 644 K HA -0.133 4.187 4.320 -0.001 0.000 0.207 644 K C 1.901 178.548 176.600 0.078 0.000 1.049 644 K CA 1.448 57.784 56.287 0.081 0.000 0.931 644 K CB -0.343 32.188 32.500 0.051 0.000 0.714 644 K HN 0.466 nan 8.250 nan 0.000 0.440 645 L N 0.315 121.564 121.223 0.043 0.000 2.127 645 L HA -0.145 4.194 4.340 -0.001 0.000 0.211 645 L C 1.748 178.601 176.870 -0.027 0.000 1.089 645 L CA 1.526 56.353 54.840 -0.022 0.000 0.757 645 L CB -0.382 41.617 42.059 -0.101 0.000 0.899 645 L HN 0.071 nan 8.230 nan 0.000 0.434 646 F N 0.297 120.246 119.950 -0.002 0.000 2.046 646 F HA -0.131 4.396 4.527 -0.001 0.000 0.297 646 F C 2.490 178.291 175.800 0.002 0.000 1.123 646 F CA 1.939 59.938 58.000 -0.002 0.000 1.199 646 F CB -1.099 37.902 39.000 0.001 0.000 0.972 646 F HN 0.218 nan 8.300 nan 0.000 0.474 647 G N -0.104 108.835 108.800 0.232 0.000 2.553 647 G HA2 -0.358 3.601 3.960 -0.001 0.000 0.218 647 G HA3 -0.358 3.601 3.960 -0.001 0.000 0.218 647 G C 1.460 176.409 174.900 0.082 0.000 1.195 647 G CA 1.436 46.616 45.100 0.132 0.000 0.779 647 G HN 0.276 nan 8.290 nan 0.000 0.577 648 N N 0.865 119.605 118.700 0.067 0.000 2.061 648 N HA -0.118 4.621 4.740 -0.001 0.000 0.193 648 N C 2.207 177.722 175.510 0.007 0.000 1.030 648 N CA 1.295 54.369 53.050 0.039 0.000 0.856 648 N CB -0.425 38.083 38.487 0.034 0.000 1.023 648 N HN 0.445 nan 8.380 nan 0.000 0.424 649 I N 1.048 121.616 120.570 -0.002 0.000 2.127 649 I HA -0.348 3.821 4.170 -0.001 0.000 0.241 649 I C 2.213 178.319 176.117 -0.020 0.000 1.075 649 I CA 1.363 62.647 61.300 -0.027 0.000 1.334 649 I CB -0.547 37.423 38.000 -0.051 0.000 1.040 649 I HN 0.220 nan 8.210 nan 0.000 0.405 650 Q N 1.082 120.885 119.800 0.005 0.000 1.985 650 Q HA -0.253 4.086 4.340 -0.001 0.000 0.207 650 Q C 2.282 178.235 176.000 -0.078 0.000 0.996 650 Q CA 1.790 57.586 55.803 -0.012 0.000 0.851 650 Q CB -0.274 28.475 28.738 0.019 0.000 0.921 650 Q HN 0.432 nan 8.270 nan 0.000 0.418 651 K N 0.107 120.448 120.400 -0.099 0.000 2.059 651 K HA -0.211 4.108 4.320 -0.001 0.000 0.212 651 K C 2.170 178.583 176.600 -0.311 0.000 1.050 651 K CA 1.922 58.054 56.287 -0.259 0.000 0.927 651 K CB -0.417 32.034 32.500 -0.081 0.000 0.714 651 K HN 0.101 nan 8.250 nan 0.000 0.447 652 V N 0.846 120.683 119.914 -0.128 0.000 2.244 652 V HA -0.209 3.910 4.120 -0.001 0.000 0.244 652 V C 2.414 178.534 176.094 0.043 0.000 1.042 652 V CA 1.570 63.834 62.300 -0.060 0.000 1.006 652 V CB -0.609 31.191 31.823 -0.038 0.000 0.641 652 V HN 0.053 nan 8.190 nan 0.000 0.446 653 V N 0.848 120.772 119.914 0.016 0.000 2.255 653 V HA -0.268 3.852 4.120 -0.001 0.000 0.247 653 V C 2.484 178.649 176.094 0.119 0.000 1.051 653 V CA 2.313 64.654 62.300 0.068 0.000 1.018 653 V CB -0.981 30.843 31.823 0.002 0.000 0.641 653 V HN 0.561 nan 8.190 nan 0.000 0.445 654 N N -0.144 118.564 118.700 0.014 0.000 2.037 654 N HA -0.253 4.487 4.740 -0.001 0.000 0.196 654 N C 1.699 177.187 175.510 -0.037 0.000 1.034 654 N CA 2.183 55.212 53.050 -0.034 0.000 0.861 654 N CB -0.686 37.731 38.487 -0.116 0.000 1.039 654 N HN 0.554 nan 8.380 nan 0.000 0.427 655 F N 0.148 119.971 119.950 -0.213 0.000 2.069 655 F HA -0.197 4.329 4.527 -0.001 0.000 0.298 655 F C 2.425 178.239 175.800 0.023 0.000 1.113 655 F CA 1.575 59.459 58.000 -0.193 0.000 1.214 655 F CB -0.649 38.133 39.000 -0.363 0.000 0.978 655 F HN 0.145 nan 8.300 nan 0.000 0.474 656 W N 0.795 122.160 121.300 0.108 0.000 2.304 656 W HA -0.291 4.368 4.660 -0.001 0.000 0.315 656 W C 2.117 178.601 176.519 -0.059 0.000 1.233 656 W CA 2.279 59.657 57.345 0.055 0.000 1.261 656 W CB -0.657 28.849 29.460 0.076 0.000 1.150 656 W HN 0.195 nan 8.180 nan 0.000 0.494 657 L N 0.123 121.404 121.223 0.096 0.000 2.072 657 L HA -0.114 4.225 4.340 -0.001 0.000 0.205 657 L C 2.500 179.208 176.870 -0.271 0.000 1.079 657 L CA 1.753 56.544 54.840 -0.082 0.000 0.752 657 L CB -1.263 40.857 42.059 0.102 0.000 0.906 657 L HN 0.152 nan 8.230 nan 0.000 0.436 658 L N -0.697 120.319 121.223 -0.345 0.000 2.089 658 L HA -0.264 4.075 4.340 -0.001 0.000 0.213 658 L C 1.670 178.102 176.870 -0.730 0.000 1.079 658 L CA 1.906 56.428 54.840 -0.531 0.000 0.758 658 L CB -0.602 41.065 42.059 -0.652 0.000 0.891 658 L HN 0.436 nan 8.230 nan 0.000 0.433 659 H N -1.871 116.924 119.070 -0.459 0.000 2.487 659 H HA 0.230 4.785 4.556 -0.001 0.000 0.290 659 H C 0.758 175.775 175.328 -0.518 0.000 1.081 659 H CA 0.297 56.082 56.048 -0.439 0.000 1.116 659 H CB 0.078 29.566 29.762 -0.456 0.000 1.560 659 H HN 0.414 nan 8.280 nan 0.000 0.548 660 N N 0.607 118.996 118.700 -0.518 0.000 2.460 660 N HA 0.128 4.867 4.740 -0.001 0.000 0.193 660 N C 0.453 175.814 175.510 -0.249 0.000 1.080 660 N CA 0.981 53.716 53.050 -0.526 0.000 0.869 660 N CB 1.210 39.098 38.487 -1.000 0.000 1.201 660 N HN 0.452 nan 8.380 nan 0.000 0.457 661 G N -0.042 108.657 108.800 -0.169 0.000 2.705 661 G HA2 -0.080 3.879 3.960 -0.001 0.000 0.686 661 G HA3 -0.080 3.879 3.960 -0.001 0.000 0.686 661 G C -1.030 173.932 174.900 0.102 0.000 1.285 661 G CA -0.260 44.808 45.100 -0.052 0.000 0.800 661 G HN 0.298 nan 8.290 nan 0.000 0.611 662 F N 0.850 120.768 119.950 -0.053 0.000 2.650 662 F HA 0.695 5.221 4.527 -0.001 0.000 0.310 662 F C -0.086 175.702 175.800 -0.021 0.000 1.112 662 F CA 0.058 58.047 58.000 -0.019 0.000 0.986 662 F CB 1.933 40.938 39.000 0.009 0.000 1.285 662 F HN 0.951 nan 8.300 nan 0.000 0.440 663 S N 1.435 117.025 115.700 -0.183 0.000 2.740 663 S HA 0.839 5.308 4.470 -0.001 0.000 0.300 663 S C -1.477 173.063 174.600 -0.100 0.000 1.147 663 S CA -0.459 57.699 58.200 -0.071 0.000 0.871 663 S CB 2.218 65.344 63.200 -0.123 0.000 1.173 663 S HN 0.641 nan 8.310 nan 0.000 0.510 664 T N 1.338 115.881 114.554 -0.019 0.000 3.186 664 T HA 0.529 4.878 4.350 -0.001 0.000 0.320 664 T C -0.071 174.615 174.700 -0.024 0.000 0.955 664 T CA -0.478 61.610 62.100 -0.019 0.000 1.030 664 T CB 0.926 69.839 68.868 0.076 0.000 1.013 664 T HN 0.718 nan 8.240 nan 0.000 0.454 665 G N 1.218 109.990 108.800 -0.047 0.000 2.504 665 G HA2 0.541 4.500 3.960 -0.001 0.000 0.288 665 G HA3 0.541 4.500 3.960 -0.001 0.000 0.288 665 G C 1.031 175.919 174.900 -0.021 0.000 1.182 665 G CA -0.653 44.427 45.100 -0.034 0.000 0.894 665 G HN 0.782 nan 8.290 nan 0.000 0.521 666 I N 0.803 121.364 120.570 -0.016 0.000 2.614 666 I HA -0.018 4.152 4.170 -0.001 0.000 0.258 666 I C 2.580 178.692 176.117 -0.009 0.000 1.189 666 I CA 1.473 62.767 61.300 -0.010 0.000 1.462 666 I CB -0.031 37.964 38.000 -0.008 0.000 1.092 666 I HN 0.577 nan 8.210 nan 0.000 0.442 667 G N -0.155 108.637 108.800 -0.015 0.000 2.516 667 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.221 667 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.221 667 G C 1.243 176.135 174.900 -0.012 0.000 1.107 667 G CA 0.947 46.038 45.100 -0.014 0.000 0.747 667 G HN 0.382 nan 8.290 nan 0.000 0.567 668 D N -0.031 120.361 120.400 -0.014 0.000 2.363 668 D HA -0.010 4.629 4.640 -0.001 0.000 0.226 668 D C 1.428 177.731 176.300 0.004 0.000 1.020 668 D CA 1.067 55.062 54.000 -0.009 0.000 0.892 668 D CB 0.160 40.952 40.800 -0.013 0.000 0.900 668 D HN 0.432 nan 8.370 nan 0.000 0.531 669 T N -0.972 113.586 114.554 0.006 0.000 3.380 669 T HA 0.284 4.633 4.350 -0.001 0.000 0.289 669 T C 0.486 175.194 174.700 0.014 0.000 1.012 669 T CA -0.411 61.697 62.100 0.013 0.000 0.944 669 T CB 0.681 69.559 68.868 0.016 0.000 1.172 669 T HN -0.117 nan 8.240 nan 0.000 0.502 670 I N 2.569 123.145 120.570 0.010 0.000 2.339 670 I HA 0.682 4.851 4.170 -0.001 0.000 0.290 670 I C 0.543 176.668 176.117 0.013 0.000 0.994 670 I CA -0.702 60.604 61.300 0.010 0.000 1.191 670 I CB 0.980 38.983 38.000 0.005 0.000 1.343 670 I HN 0.325 nan 8.210 nan 0.000 0.458 671 A N 5.702 128.531 122.820 0.015 0.000 2.263 671 A HA 0.503 4.823 4.320 -0.001 0.000 0.318 671 A C -0.234 177.359 177.584 0.015 0.000 1.111 671 A CA -0.616 51.431 52.037 0.018 0.000 0.901 671 A CB 0.445 19.459 19.000 0.022 0.000 1.280 671 A HN 0.614 nan 8.150 nan 0.000 0.503 672 D N -0.109 120.301 120.400 0.017 0.000 2.443 672 D HA 0.254 4.893 4.640 -0.001 0.000 0.234 672 D C 1.598 177.907 176.300 0.014 0.000 1.172 672 D CA 1.298 55.307 54.000 0.015 0.000 0.878 672 D CB 0.593 41.402 40.800 0.016 0.000 1.204 672 D HN 0.573 nan 8.370 nan 0.000 0.453 673 G N 2.382 111.189 108.800 0.012 0.000 2.480 673 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.216 673 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.216 673 G C -0.845 174.062 174.900 0.012 0.000 1.200 673 G CA 0.434 45.540 45.100 0.011 0.000 0.782 673 G HN 0.471 nan 8.290 nan 0.000 0.554 674 P HA -0.120 nan 4.420 nan 0.000 0.216 674 P C 1.811 179.121 177.300 0.016 0.000 1.154 674 P CA 2.024 65.132 63.100 0.013 0.000 0.865 674 P CB -0.403 31.304 31.700 0.013 0.000 0.789 675 T N -0.526 114.039 114.554 0.018 0.000 2.809 675 T HA -0.018 4.332 4.350 -0.001 0.000 0.260 675 T C 1.932 176.646 174.700 0.024 0.000 1.039 675 T CA 1.069 63.183 62.100 0.022 0.000 1.141 675 T CB -0.547 68.336 68.868 0.024 0.000 0.869 675 T HN -0.076 nan 8.240 nan 0.000 0.437 676 M N 1.271 120.884 119.600 0.021 0.000 2.088 676 M HA -0.110 4.369 4.480 -0.001 0.000 0.256 676 M C 2.292 178.605 176.300 0.021 0.000 1.071 676 M CA 1.596 56.908 55.300 0.020 0.000 1.097 676 M CB -1.140 31.470 32.600 0.016 0.000 1.315 676 M HN 0.191 nan 8.290 nan 0.000 0.406 677 R N 0.220 120.731 120.500 0.018 0.000 2.148 677 R HA -0.233 4.106 4.340 -0.001 0.000 0.230 677 R C 2.210 178.522 176.300 0.020 0.000 1.120 677 R CA 2.433 58.544 56.100 0.017 0.000 0.902 677 R CB -0.572 29.737 30.300 0.015 0.000 0.839 677 R HN 0.486 nan 8.270 nan 0.000 0.431 678 E N 0.170 120.382 120.200 0.019 0.000 2.130 678 E HA -0.242 4.107 4.350 -0.001 0.000 0.196 678 E C 2.091 178.706 176.600 0.026 0.000 0.998 678 E CA 1.599 58.011 56.400 0.020 0.000 0.806 678 E CB -0.177 29.534 29.700 0.019 0.000 0.738 678 E HN 0.466 nan 8.360 nan 0.000 0.459 679 I N 0.434 121.022 120.570 0.030 0.000 2.208 679 I HA -0.291 3.878 4.170 -0.001 0.000 0.245 679 I C 2.356 178.498 176.117 0.042 0.000 1.097 679 I CA 1.536 62.859 61.300 0.039 0.000 1.363 679 I CB -0.075 37.948 38.000 0.038 0.000 1.051 679 I HN 0.177 nan 8.210 nan 0.000 0.413 680 T N 0.028 114.604 114.554 0.036 0.000 2.851 680 T HA -0.156 4.193 4.350 -0.001 0.000 0.262 680 T C 1.617 176.340 174.700 0.037 0.000 1.043 680 T CA 1.391 63.516 62.100 0.042 0.000 1.140 680 T CB -0.223 68.667 68.868 0.036 0.000 0.872 680 T HN 0.578 nan 8.240 nan 0.000 0.446 681 E N 0.768 120.984 120.200 0.026 0.000 2.409 681 E HA -0.102 4.247 4.350 -0.001 0.000 0.198 681 E C 1.722 178.329 176.600 0.012 0.000 1.024 681 E CA 1.050 57.460 56.400 0.017 0.000 0.861 681 E CB -0.475 29.232 29.700 0.012 0.000 0.788 681 E HN 0.259 nan 8.360 nan 0.000 0.521 682 T N 1.714 116.281 114.554 0.021 0.000 2.708 682 T HA -0.092 4.257 4.350 -0.001 0.000 0.266 682 T C 1.831 176.540 174.700 0.015 0.000 1.037 682 T CA 1.373 63.484 62.100 0.019 0.000 1.146 682 T CB -0.055 68.835 68.868 0.037 0.000 0.865 682 T HN 0.226 nan 8.240 nan 0.000 0.435 683 I N 1.570 122.163 120.570 0.038 0.000 2.202 683 I HA -0.077 4.092 4.170 -0.001 0.000 0.242 683 I C 3.039 179.151 176.117 -0.008 0.000 1.091 683 I CA 1.177 62.498 61.300 0.035 0.000 1.368 683 I CB -1.608 36.466 38.000 0.125 0.000 1.058 683 I HN 0.173 nan 8.210 nan 0.000 0.410 684 A N 1.843 124.668 122.820 0.008 0.000 1.927 684 A HA -0.280 4.039 4.320 -0.001 0.000 0.220 684 A C 2.337 179.904 177.584 -0.028 0.000 1.185 684 A CA 2.475 54.510 52.037 -0.003 0.000 0.639 684 A CB -0.896 18.109 19.000 0.008 0.000 0.820 684 A HN 0.715 nan 8.150 nan 0.000 0.451 685 E N -0.406 119.772 120.200 -0.036 0.000 2.107 685 E HA 0.034 4.383 4.350 -0.001 0.000 0.191 685 E C 1.908 178.450 176.600 -0.098 0.000 0.982 685 E CA 1.045 57.410 56.400 -0.058 0.000 0.809 685 E CB -0.355 29.313 29.700 -0.054 0.000 0.756 685 E HN 0.482 nan 8.360 nan 0.000 0.459 686 A N 1.143 123.899 122.820 -0.107 0.000 2.072 686 A HA 0.006 4.325 4.320 -0.001 0.000 0.216 686 A C 2.054 179.548 177.584 -0.149 0.000 1.156 686 A CA 0.401 52.344 52.037 -0.155 0.000 0.701 686 A CB -0.118 18.804 19.000 -0.130 0.000 0.816 686 A HN 0.010 nan 8.150 nan 0.000 0.458 687 K N 0.698 121.027 120.400 -0.119 0.000 1.991 687 K HA -0.101 4.218 4.320 -0.001 0.000 0.212 687 K C 1.039 177.600 176.600 -0.064 0.000 1.049 687 K CA 1.191 57.419 56.287 -0.098 0.000 0.932 687 K CB -0.254 32.213 32.500 -0.056 0.000 0.717 687 K HN 0.271 nan 8.250 nan 0.000 0.441 688 K N 1.389 121.757 120.400 -0.054 0.000 2.611 688 K HA -0.048 4.271 4.320 -0.001 0.000 0.193 688 K C 1.642 178.206 176.600 -0.060 0.000 1.026 688 K CA 0.350 56.615 56.287 -0.036 0.000 1.063 688 K CB 0.252 32.737 32.500 -0.025 0.000 0.839 688 K HN 0.195 nan 8.250 nan 0.000 0.505 689 K N 0.632 120.965 120.400 -0.111 0.000 2.078 689 K HA 0.005 4.324 4.320 -0.001 0.000 0.203 689 K C 1.878 178.455 176.600 -0.038 0.000 1.043 689 K CA 0.372 56.544 56.287 -0.191 0.000 0.960 689 K CB 0.241 32.468 32.500 -0.455 0.000 0.761 689 K HN -0.182 nan 8.250 nan 0.000 0.448 690 V N 2.760 122.690 119.914 0.025 0.000 2.392 690 V HA -0.257 3.862 4.120 -0.001 0.000 0.249 690 V C 2.303 178.452 176.094 0.093 0.000 1.059 690 V CA 1.397 63.756 62.300 0.099 0.000 1.051 690 V CB -0.419 31.407 31.823 0.006 0.000 0.658 690 V HN 0.465 nan 8.190 nan 0.000 0.455 691 L N -0.131 121.128 121.223 0.059 0.000 2.191 691 L HA -0.162 4.177 4.340 -0.001 0.000 0.212 691 L C 1.988 178.914 176.870 0.093 0.000 1.103 691 L CA 2.136 57.022 54.840 0.077 0.000 0.769 691 L CB -0.917 41.168 42.059 0.043 0.000 0.908 691 L HN 0.397 nan 8.230 nan 0.000 0.438 692 D N -0.967 119.480 120.400 0.079 0.000 2.240 692 D HA -0.044 4.595 4.640 -0.001 0.000 0.206 692 D C 2.258 178.631 176.300 0.123 0.000 0.963 692 D CA 0.695 54.742 54.000 0.079 0.000 0.863 692 D CB 0.553 41.377 40.800 0.040 0.000 0.973 692 D HN 0.230 nan 8.370 nan 0.000 0.501 693 V N 1.328 121.348 119.914 0.176 0.000 2.358 693 V HA -0.193 3.926 4.120 -0.001 0.000 0.246 693 V C 2.472 178.778 176.094 0.353 0.000 1.047 693 V CA 1.741 64.188 62.300 0.245 0.000 1.035 693 V CB -0.796 31.177 31.823 0.250 0.000 0.658 693 V HN 0.192 nan 8.190 nan 0.000 0.452 694 T N -0.443 114.351 114.554 0.400 0.000 2.720 694 T HA -0.266 4.083 4.350 -0.001 0.000 0.268 694 T C 1.957 176.737 174.700 0.134 0.000 1.037 694 T CA 1.707 64.025 62.100 0.363 0.000 1.144 694 T CB -0.229 68.838 68.868 0.331 0.000 0.864 694 T HN 0.267 nan 8.240 nan 0.000 0.444 695 K N 0.784 121.257 120.400 0.122 0.000 2.288 695 K HA 0.048 4.367 4.320 -0.001 0.000 0.201 695 K C 2.245 178.877 176.600 0.054 0.000 1.048 695 K CA 0.797 57.127 56.287 0.072 0.000 0.956 695 K CB 0.022 32.562 32.500 0.066 0.000 0.746 695 K HN 0.439 nan 8.250 nan 0.000 0.461 696 E N -0.776 119.468 120.200 0.074 0.000 2.060 696 E HA -0.014 4.335 4.350 -0.001 0.000 0.189 696 E C 1.591 178.204 176.600 0.022 0.000 0.974 696 E CA 0.666 57.100 56.400 0.056 0.000 0.808 696 E CB -0.050 29.700 29.700 0.083 0.000 0.768 696 E HN 0.303 nan 8.360 nan 0.000 0.453 697 A N 0.538 123.363 122.820 0.008 0.000 2.194 697 A HA -0.238 4.081 4.320 -0.001 0.000 0.220 697 A C 1.840 179.348 177.584 -0.127 0.000 1.162 697 A CA 1.394 53.365 52.037 -0.109 0.000 0.674 697 A CB -0.340 18.454 19.000 -0.344 0.000 0.789 697 A HN 0.301 nan 8.150 nan 0.000 0.470 698 Q N -2.055 117.704 119.800 -0.068 0.000 2.392 698 Q HA 0.309 4.648 4.340 -0.001 0.000 0.219 698 Q C 1.683 177.669 176.000 -0.023 0.000 0.895 698 Q CA 0.578 56.351 55.803 -0.049 0.000 0.929 698 Q CB 0.194 28.921 28.738 -0.018 0.000 1.077 698 Q HN 0.608 nan 8.270 nan 0.000 0.532 699 A N 0.488 123.300 122.820 -0.012 0.000 2.387 699 A HA 0.113 4.432 4.320 -0.001 0.000 0.234 699 A C 0.365 177.944 177.584 -0.008 0.000 1.253 699 A CA -0.026 52.009 52.037 -0.003 0.000 0.894 699 A CB 0.121 19.126 19.000 0.007 0.000 0.963 699 A HN 0.377 nan 8.150 nan 0.000 0.508 700 N N -1.071 117.616 118.700 -0.022 0.000 2.780 700 N HA -0.143 4.596 4.740 -0.001 0.000 0.248 700 N C 0.222 175.725 175.510 -0.012 0.000 1.102 700 N CA 1.144 54.179 53.050 -0.025 0.000 0.697 700 N CB -1.787 36.688 38.487 -0.020 0.000 1.028 700 N HN 0.511 nan 8.380 nan 0.000 0.554 701 L N -1.253 119.968 121.223 -0.003 0.000 2.672 701 L HA 0.266 4.606 4.340 -0.001 0.000 0.236 701 L C 0.997 177.877 176.870 0.016 0.000 1.092 701 L CA -0.495 54.350 54.840 0.009 0.000 0.887 701 L CB 0.080 42.148 42.059 0.016 0.000 1.168 701 L HN 0.128 nan 8.230 nan 0.000 0.502 702 L N 2.417 123.649 121.223 0.016 0.000 2.660 702 L HA 0.018 4.357 4.340 -0.001 0.000 0.272 702 L C 0.060 176.939 176.870 0.016 0.000 1.194 702 L CA 1.134 55.992 54.840 0.028 0.000 0.945 702 L CB 0.379 42.456 42.059 0.029 0.000 1.212 702 L HN 0.193 nan 8.230 nan 0.000 0.490 703 T N 3.694 118.262 114.554 0.024 0.000 2.910 703 T HA 0.375 4.724 4.350 -0.001 0.000 0.293 703 T C 0.503 175.213 174.700 0.017 0.000 1.015 703 T CA -0.601 61.510 62.100 0.018 0.000 1.094 703 T CB 1.230 70.113 68.868 0.024 0.000 0.968 703 T HN 0.731 nan 8.240 nan 0.000 0.521 704 A N 3.418 126.245 122.820 0.011 0.000 2.475 704 A HA 0.208 4.527 4.320 -0.001 0.000 0.293 704 A C 0.569 178.166 177.584 0.022 0.000 1.252 704 A CA -0.350 51.690 52.037 0.005 0.000 0.920 704 A CB -0.498 18.497 19.000 -0.008 0.000 1.125 704 A HN 0.748 nan 8.150 nan 0.000 0.528 705 K N 2.373 122.787 120.400 0.023 0.000 2.491 705 K HA -0.062 4.257 4.320 -0.001 0.000 0.279 705 K C 0.196 176.826 176.600 0.050 0.000 1.026 705 K CA 0.245 56.558 56.287 0.043 0.000 1.070 705 K CB 0.154 32.671 32.500 0.027 0.000 0.887 705 K HN 0.859 nan 8.250 nan 0.000 0.481 706 H N 1.068 120.140 119.070 0.003 0.000 3.094 706 H HA 0.005 4.560 4.556 -0.001 0.000 0.320 706 H C 1.287 176.615 175.328 -0.001 0.000 1.000 706 H CA 1.927 57.974 56.048 -0.002 0.000 1.413 706 H CB 0.278 30.039 29.762 -0.001 0.000 1.405 706 H HN 0.830 nan 8.280 nan 0.000 0.586 707 G N 3.520 111.961 108.800 -0.598 0.000 2.176 707 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.253 707 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.253 707 G C 0.089 174.891 174.900 -0.163 0.000 0.979 707 G CA 0.444 45.322 45.100 -0.370 0.000 0.641 707 G HN 0.764 nan 8.290 nan 0.000 0.530 708 M N -0.183 119.347 119.600 -0.117 0.000 2.727 708 M HA 0.690 5.170 4.480 -0.001 0.000 0.300 708 M C 0.510 176.774 176.300 -0.060 0.000 1.246 708 M CA -0.816 54.443 55.300 -0.068 0.000 0.835 708 M CB 0.988 33.565 32.600 -0.038 0.000 1.755 708 M HN -0.018 nan 8.290 nan 0.000 0.473 709 T N 1.120 115.646 114.554 -0.046 0.000 2.649 709 T HA 0.011 4.360 4.350 -0.001 0.000 0.337 709 T C 1.067 175.744 174.700 -0.037 0.000 1.070 709 T CA -0.520 61.555 62.100 -0.043 0.000 1.052 709 T CB 0.605 69.449 68.868 -0.040 0.000 0.994 709 T HN 0.553 nan 8.240 nan 0.000 0.544 710 L N 0.612 121.810 121.223 -0.043 0.000 2.023 710 L HA -0.011 4.328 4.340 -0.001 0.000 0.205 710 L C 2.654 179.496 176.870 -0.047 0.000 1.073 710 L CA 1.688 56.502 54.840 -0.044 0.000 0.745 710 L CB -0.934 41.089 42.059 -0.061 0.000 0.900 710 L HN 0.587 nan 8.230 nan 0.000 0.435 711 R N -0.287 120.167 120.500 -0.077 0.000 2.083 711 R HA -0.223 4.116 4.340 -0.001 0.000 0.237 711 R C 2.075 178.371 176.300 -0.007 0.000 1.137 711 R CA 1.717 57.759 56.100 -0.097 0.000 0.951 711 R CB -0.303 29.924 30.300 -0.121 0.000 0.851 711 R HN 0.481 nan 8.270 nan 0.000 0.434 712 E N 0.428 120.618 120.200 -0.016 0.000 2.204 712 E HA -0.134 4.215 4.350 -0.001 0.000 0.194 712 E C 1.889 178.487 176.600 -0.003 0.000 0.989 712 E CA 1.283 57.678 56.400 -0.009 0.000 0.824 712 E CB 0.122 29.810 29.700 -0.020 0.000 0.756 712 E HN 0.293 nan 8.360 nan 0.000 0.477 713 S N -0.257 115.446 115.700 0.005 0.000 2.428 713 S HA -0.133 4.337 4.470 -0.001 0.000 0.230 713 S C 1.837 176.436 174.600 -0.001 0.000 1.014 713 S CA 0.345 58.543 58.200 -0.004 0.000 0.957 713 S CB -0.478 62.723 63.200 0.001 0.000 0.784 713 S HN 0.343 nan 8.310 nan 0.000 0.499 714 F N 2.901 122.774 119.950 -0.128 0.000 2.102 714 F HA -0.013 4.513 4.527 -0.001 0.000 0.298 714 F C 2.489 178.196 175.800 -0.156 0.000 1.105 714 F CA 1.836 59.745 58.000 -0.152 0.000 1.239 714 F CB -0.324 38.570 39.000 -0.177 0.000 0.991 714 F HN 0.124 nan 8.300 nan 0.000 0.474 715 E N 0.406 120.583 120.200 -0.038 0.000 2.049 715 E HA -0.302 4.048 4.350 -0.001 0.000 0.198 715 E C 1.899 178.401 176.600 -0.163 0.000 1.007 715 E CA 1.723 58.059 56.400 -0.106 0.000 0.809 715 E CB -0.991 28.688 29.700 -0.035 0.000 0.749 715 E HN 0.582 nan 8.360 nan 0.000 0.450 716 D N 0.911 121.233 120.400 -0.131 0.000 2.127 716 D HA -0.205 4.434 4.640 -0.001 0.000 0.190 716 D C 1.611 177.740 176.300 -0.286 0.000 1.000 716 D CA 1.784 55.692 54.000 -0.152 0.000 0.839 716 D CB -0.269 40.468 40.800 -0.106 0.000 0.955 716 D HN -0.040 nan 8.370 nan 0.000 0.446 717 N N -0.590 117.877 118.700 -0.388 0.000 2.192 717 N HA -0.127 4.612 4.740 -0.001 0.000 0.188 717 N C 1.729 176.718 175.510 -0.869 0.000 1.013 717 N CA 0.859 53.502 53.050 -0.678 0.000 0.863 717 N CB -0.252 37.877 38.487 -0.596 0.000 0.990 717 N HN 0.218 nan 8.380 nan 0.000 0.430 718 V N 0.032 119.579 119.914 -0.611 0.000 2.326 718 V HA -0.096 4.024 4.120 -0.001 0.000 0.237 718 V C 2.273 178.224 176.094 -0.238 0.000 1.044 718 V CA 0.826 62.864 62.300 -0.437 0.000 1.035 718 V CB -0.554 30.993 31.823 -0.461 0.000 0.675 718 V HN -0.003 nan 8.190 nan 0.000 0.470 719 V N 0.355 120.162 119.914 -0.178 0.000 2.511 719 V HA -0.360 3.760 4.120 -0.001 0.000 0.257 719 V C 2.459 178.522 176.094 -0.053 0.000 1.088 719 V CA 2.289 64.543 62.300 -0.076 0.000 1.098 719 V CB -1.121 30.674 31.823 -0.046 0.000 0.674 719 V HN 0.433 nan 8.190 nan 0.000 0.470 720 R N -0.717 119.710 120.500 -0.122 0.000 2.057 720 R HA 0.020 4.359 4.340 -0.001 0.000 0.229 720 R C 2.276 178.602 176.300 0.042 0.000 1.136 720 R CA 1.531 57.587 56.100 -0.073 0.000 0.952 720 R CB -0.316 29.886 30.300 -0.163 0.000 0.848 720 R HN 0.529 nan 8.270 nan 0.000 0.430 721 F N -0.004 119.892 119.950 -0.091 0.000 2.546 721 F HA -0.163 4.363 4.527 -0.001 0.000 0.298 721 F C 1.792 177.522 175.800 -0.116 0.000 1.120 721 F CA -0.111 57.828 58.000 -0.101 0.000 1.456 721 F CB 0.251 39.172 39.000 -0.132 0.000 1.088 721 F HN 0.076 nan 8.300 nan 0.000 0.572 722 L N -0.572 120.684 121.223 0.056 0.000 2.388 722 L HA 0.040 4.380 4.340 -0.001 0.000 0.209 722 L C 1.695 178.619 176.870 0.089 0.000 1.061 722 L CA 0.939 55.758 54.840 -0.034 0.000 0.834 722 L CB -0.722 41.282 42.059 -0.091 0.000 1.029 722 L HN -0.141 nan 8.230 nan 0.000 0.473 723 N N -0.179 118.581 118.700 0.098 0.000 2.083 723 N HA -0.175 4.564 4.740 -0.001 0.000 0.190 723 N C 1.611 177.191 175.510 0.116 0.000 1.047 723 N CA 1.220 54.343 53.050 0.123 0.000 0.845 723 N CB -0.327 38.221 38.487 0.101 0.000 1.025 723 N HN 0.272 nan 8.380 nan 0.000 0.428 724 E N 0.591 120.850 120.200 0.098 0.000 2.196 724 E HA -0.344 4.005 4.350 -0.001 0.000 0.222 724 E C 1.577 178.228 176.600 0.086 0.000 1.072 724 E CA 1.983 58.438 56.400 0.092 0.000 0.902 724 E CB -0.186 29.582 29.700 0.115 0.000 0.780 724 E HN 0.380 nan 8.360 nan 0.000 0.467 725 A N 0.909 123.776 122.820 0.078 0.000 1.930 725 A HA -0.160 4.159 4.320 -0.001 0.000 0.217 725 A C 2.211 179.868 177.584 0.121 0.000 1.175 725 A CA 1.508 53.583 52.037 0.064 0.000 0.627 725 A CB -0.487 18.512 19.000 -0.000 0.000 0.815 725 A HN 0.292 nan 8.150 nan 0.000 0.443 726 R N -0.357 120.246 120.500 0.171 0.000 2.093 726 R HA -0.097 4.242 4.340 -0.001 0.000 0.224 726 R C 1.016 177.411 176.300 0.158 0.000 1.101 726 R CA 1.472 57.683 56.100 0.184 0.000 0.979 726 R CB -0.255 30.168 30.300 0.205 0.000 0.877 726 R HN 0.475 nan 8.270 nan 0.000 0.441 727 D N 0.608 121.113 120.400 0.176 0.000 2.149 727 D HA -0.145 4.495 4.640 -0.001 0.000 0.201 727 D C 1.660 178.098 176.300 0.229 0.000 0.972 727 D CA 0.973 55.124 54.000 0.252 0.000 0.835 727 D CB 0.003 40.934 40.800 0.218 0.000 0.966 727 D HN 0.213 nan 8.370 nan 0.000 0.476 728 K N 1.087 121.571 120.400 0.141 0.000 2.026 728 K HA -0.112 4.207 4.320 -0.001 0.000 0.208 728 K C 2.123 178.792 176.600 0.114 0.000 1.048 728 K CA 1.277 57.626 56.287 0.104 0.000 0.929 728 K CB -0.042 32.496 32.500 0.064 0.000 0.713 728 K HN -0.008 nan 8.250 nan 0.000 0.439 729 A N 0.674 123.561 122.820 0.112 0.000 1.883 729 A HA -0.136 4.183 4.320 -0.001 0.000 0.217 729 A C 2.361 180.013 177.584 0.112 0.000 1.186 729 A CA 2.162 54.257 52.037 0.097 0.000 0.624 729 A CB -1.531 17.525 19.000 0.093 0.000 0.822 729 A HN 0.552 nan 8.150 nan 0.000 0.444 730 G N -0.745 108.141 108.800 0.143 0.000 2.514 730 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.217 730 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.217 730 G C 1.688 176.790 174.900 0.338 0.000 1.198 730 G CA 1.010 46.194 45.100 0.140 0.000 0.780 730 G HN 0.546 nan 8.290 nan 0.000 0.565 731 R N -0.398 120.403 120.500 0.502 0.000 2.328 731 R HA 0.235 4.574 4.340 -0.001 0.000 0.207 731 R C 2.263 178.660 176.300 0.162 0.000 1.056 731 R CA 0.091 56.380 56.100 0.314 0.000 1.016 731 R CB -0.185 30.145 30.300 0.050 0.000 0.872 731 R HN 0.362 nan 8.270 nan 0.000 0.471 732 L N -0.724 120.583 121.223 0.139 0.000 2.307 732 L HA 0.094 4.433 4.340 -0.001 0.000 0.211 732 L C 2.030 178.949 176.870 0.081 0.000 1.099 732 L CA 0.421 55.313 54.840 0.087 0.000 0.816 732 L CB -0.070 42.030 42.059 0.068 0.000 0.952 732 L HN 0.172 nan 8.230 nan 0.000 0.455 733 A N -0.460 122.416 122.820 0.094 0.000 1.929 733 A HA -0.228 4.092 4.320 -0.001 0.000 0.216 733 A C 2.110 179.749 177.584 0.091 0.000 1.176 733 A CA 1.490 53.572 52.037 0.075 0.000 0.628 733 A CB -0.342 18.692 19.000 0.056 0.000 0.816 733 A HN 0.491 nan 8.150 nan 0.000 0.444 734 E N -0.169 120.117 120.200 0.144 0.000 2.077 734 E HA -0.129 4.220 4.350 -0.001 0.000 0.193 734 E C 1.888 178.544 176.600 0.093 0.000 0.989 734 E CA 1.276 57.766 56.400 0.151 0.000 0.800 734 E CB -0.141 29.709 29.700 0.249 0.000 0.746 734 E HN 0.285 nan 8.360 nan 0.000 0.452 735 V N 1.973 121.932 119.914 0.075 0.000 2.250 735 V HA -0.331 3.788 4.120 -0.001 0.000 0.250 735 V C 2.256 178.376 176.094 0.044 0.000 1.060 735 V CA 2.167 64.496 62.300 0.048 0.000 1.030 735 V CB -0.654 31.192 31.823 0.038 0.000 0.643 735 V HN 0.454 nan 8.190 nan 0.000 0.445 736 N N -0.148 118.579 118.700 0.046 0.000 2.609 736 N HA -0.041 4.698 4.740 -0.001 0.000 0.190 736 N C 0.432 175.964 175.510 0.037 0.000 1.157 736 N CA 0.054 53.127 53.050 0.038 0.000 0.918 736 N CB -0.027 38.481 38.487 0.035 0.000 0.978 736 N HN 0.393 nan 8.380 nan 0.000 0.448 737 L N 2.482 123.732 121.223 0.045 0.000 2.313 737 L HA 0.145 4.484 4.340 -0.001 0.000 0.282 737 L C 0.652 177.543 176.870 0.036 0.000 1.092 737 L CA -0.238 54.627 54.840 0.042 0.000 0.831 737 L CB 0.895 42.985 42.059 0.053 0.000 1.159 737 L HN -0.025 nan 8.230 nan 0.000 0.442 738 K N 2.019 122.436 120.400 0.029 0.000 2.336 738 K HA -0.023 4.296 4.320 -0.001 0.000 0.262 738 K C 0.443 177.061 176.600 0.031 0.000 0.992 738 K CA -0.297 56.005 56.287 0.025 0.000 0.927 738 K CB 0.816 33.327 32.500 0.017 0.000 0.956 738 K HN 0.474 nan 8.250 nan 0.000 0.495 739 D N 0.963 121.382 120.400 0.032 0.000 2.269 739 D HA -0.061 4.578 4.640 -0.001 0.000 0.208 739 D C 1.265 177.592 176.300 0.045 0.000 0.963 739 D CA 0.775 54.799 54.000 0.040 0.000 0.864 739 D CB 0.159 40.982 40.800 0.038 0.000 0.936 739 D HN 0.350 nan 8.370 nan 0.000 0.505 740 L N -0.728 120.513 121.223 0.029 0.000 2.672 740 L HA 0.271 4.611 4.340 -0.001 0.000 0.236 740 L C 0.239 177.104 176.870 -0.009 0.000 1.186 740 L CA -0.192 54.657 54.840 0.014 0.000 0.977 740 L CB -0.886 41.174 42.059 0.001 0.000 1.203 740 L HN -0.262 nan 8.230 nan 0.000 0.448 741 N N 0.527 119.237 118.700 0.016 0.000 2.420 741 N HA 0.127 4.866 4.740 -0.001 0.000 0.249 741 N C 0.937 176.463 175.510 0.027 0.000 1.033 741 N CA -0.320 52.735 53.050 0.008 0.000 0.944 741 N CB 0.443 38.946 38.487 0.027 0.000 1.113 741 N HN 0.132 nan 8.380 nan 0.000 0.502 742 N N 2.389 121.059 118.700 -0.051 0.000 2.096 742 N HA -0.198 4.541 4.740 -0.001 0.000 0.195 742 N C 1.361 176.996 175.510 0.208 0.000 1.017 742 N CA 1.316 54.347 53.050 -0.031 0.000 0.870 742 N CB -0.184 38.169 38.487 -0.224 0.000 1.024 742 N HN 0.364 nan 8.380 nan 0.000 0.434 743 V N 1.066 121.046 119.914 0.112 0.000 2.244 743 V HA -0.156 3.964 4.120 -0.001 0.000 0.244 743 V C 2.362 178.525 176.094 0.115 0.000 1.042 743 V CA 1.418 63.782 62.300 0.108 0.000 1.006 743 V CB -0.605 31.254 31.823 0.060 0.000 0.641 743 V HN 0.253 nan 8.190 nan 0.000 0.446 744 K N -0.353 120.105 120.400 0.097 0.000 2.218 744 K HA -0.244 4.075 4.320 -0.001 0.000 0.205 744 K C 2.284 178.949 176.600 0.109 0.000 1.046 744 K CA 1.681 58.024 56.287 0.093 0.000 0.933 744 K CB -0.080 32.466 32.500 0.077 0.000 0.728 744 K HN 0.572 nan 8.250 nan 0.000 0.454 745 Q N -0.584 119.312 119.800 0.160 0.000 2.137 745 Q HA -0.040 4.299 4.340 -0.001 0.000 0.198 745 Q C 2.027 178.108 176.000 0.136 0.000 0.960 745 Q CA 1.078 56.998 55.803 0.195 0.000 0.847 745 Q CB 0.095 29.044 28.738 0.352 0.000 0.915 745 Q HN 0.345 nan 8.270 nan 0.000 0.448 746 M N -0.448 119.230 119.600 0.131 0.000 2.254 746 M HA -0.119 4.361 4.480 -0.001 0.000 0.265 746 M C 2.088 178.406 176.300 0.031 0.000 1.066 746 M CA 0.777 56.090 55.300 0.022 0.000 1.123 746 M CB 0.187 32.800 32.600 0.022 0.000 1.388 746 M HN 0.012 nan 8.290 nan 0.000 0.425 747 V N 0.396 120.346 119.914 0.060 0.000 2.407 747 V HA -0.263 3.856 4.120 -0.001 0.000 0.248 747 V C 2.217 178.339 176.094 0.047 0.000 1.055 747 V CA 1.645 63.979 62.300 0.057 0.000 1.049 747 V CB -0.401 31.467 31.823 0.076 0.000 0.662 747 V HN 0.511 nan 8.190 nan 0.000 0.455 748 M N -0.769 118.860 119.600 0.049 0.000 2.288 748 M HA -0.012 4.467 4.480 -0.001 0.000 0.266 748 M C 2.328 178.640 176.300 0.019 0.000 1.072 748 M CA 1.583 56.906 55.300 0.038 0.000 1.132 748 M CB -0.434 32.194 32.600 0.046 0.000 1.386 748 M HN 0.371 nan 8.290 nan 0.000 0.432 749 A N 0.369 123.194 122.820 0.009 0.000 1.898 749 A HA 0.146 4.466 4.320 -0.001 0.000 0.216 749 A C 1.671 179.251 177.584 -0.007 0.000 1.181 749 A CA 1.442 53.471 52.037 -0.013 0.000 0.620 749 A CB -1.024 17.951 19.000 -0.043 0.000 0.819 749 A HN 0.636 nan 8.150 nan 0.000 0.442 750 G N -0.879 107.922 108.800 0.001 0.000 2.303 750 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.260 750 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.260 750 G C 0.623 175.523 174.900 -0.002 0.000 1.106 750 G CA 1.065 46.169 45.100 0.007 0.000 0.900 750 G HN 1.368 nan 8.290 nan 0.000 0.495 751 S N -1.940 113.752 115.700 -0.014 0.000 2.506 751 S HA 0.556 5.025 4.470 -0.001 0.000 0.230 751 S C 0.728 175.321 174.600 -0.012 0.000 1.066 751 S CA 0.767 58.953 58.200 -0.024 0.000 0.940 751 S CB 0.901 64.062 63.200 -0.065 0.000 0.818 751 S HN 0.347 nan 8.310 nan 0.000 0.518 752 K N 0.489 120.885 120.400 -0.006 0.000 2.568 752 K HA 0.636 4.955 4.320 -0.001 0.000 0.273 752 K C -0.440 176.171 176.600 0.019 0.000 0.951 752 K CA 0.346 56.637 56.287 0.007 0.000 0.854 752 K CB 1.489 33.993 32.500 0.007 0.000 1.424 752 K HN 0.656 nan 8.250 nan 0.000 0.427 753 G N 0.979 109.792 108.800 0.022 0.000 2.911 753 G HA2 0.008 3.968 3.960 -0.001 0.000 0.686 753 G HA3 0.008 3.968 3.960 -0.001 0.000 0.686 753 G C -0.462 174.463 174.900 0.043 0.000 1.136 753 G CA -0.122 44.995 45.100 0.029 0.000 0.764 753 G HN 0.898 nan 8.290 nan 0.000 0.626 754 S N 1.151 116.880 115.700 0.048 0.000 2.921 754 S HA 0.794 5.264 4.470 -0.001 0.000 0.315 754 S C 1.069 175.743 174.600 0.124 0.000 1.087 754 S CA 0.196 58.446 58.200 0.084 0.000 0.877 754 S CB 1.104 64.352 63.200 0.079 0.000 1.340 754 S HN 1.635 nan 8.310 nan 0.000 0.622 755 F N 1.583 121.543 119.950 0.017 0.000 2.113 755 F HA 0.068 4.595 4.527 -0.001 0.000 0.297 755 F C 1.796 177.614 175.800 0.031 0.000 1.103 755 F CA 1.256 59.268 58.000 0.021 0.000 1.248 755 F CB -0.526 38.482 39.000 0.013 0.000 0.999 755 F HN 0.410 nan 8.300 nan 0.000 0.475 756 I N 0.852 121.315 120.570 -0.179 0.000 2.361 756 I HA -0.269 3.901 4.170 -0.001 0.000 0.251 756 I C 1.949 177.923 176.117 -0.238 0.000 1.133 756 I CA 0.870 61.990 61.300 -0.299 0.000 1.413 756 I CB -1.999 35.968 38.000 -0.054 0.000 1.073 756 I HN 0.227 nan 8.210 nan 0.000 0.424 757 N N 1.842 120.465 118.700 -0.128 0.000 2.025 757 N HA -0.166 4.573 4.740 -0.001 0.000 0.194 757 N C 1.917 177.374 175.510 -0.088 0.000 1.044 757 N CA 1.423 54.429 53.050 -0.073 0.000 0.851 757 N CB -0.371 38.094 38.487 -0.037 0.000 1.036 757 N HN 0.237 nan 8.380 nan 0.000 0.422 758 I N 1.763 122.266 120.570 -0.112 0.000 2.113 758 I HA -0.259 3.911 4.170 -0.001 0.000 0.242 758 I C 2.475 178.504 176.117 -0.147 0.000 1.064 758 I CA 0.852 62.097 61.300 -0.092 0.000 1.320 758 I CB -1.986 35.983 38.000 -0.052 0.000 1.028 758 I HN 0.034 nan 8.210 nan 0.000 0.406 759 A N 1.045 123.649 122.820 -0.360 0.000 1.885 759 A HA -0.297 4.023 4.320 -0.001 0.000 0.215 759 A C 2.135 179.640 177.584 -0.132 0.000 1.255 759 A CA 2.374 54.197 52.037 -0.355 0.000 0.692 759 A CB -1.028 17.587 19.000 -0.642 0.000 0.842 759 A HN 0.519 nan 8.150 nan 0.000 0.465 760 Q N -0.878 118.876 119.800 -0.076 0.000 1.827 760 Q HA -0.339 4.001 4.340 -0.001 0.000 0.349 760 Q C 2.157 178.257 176.000 0.165 0.000 1.056 760 Q CA 2.260 58.117 55.803 0.090 0.000 0.881 760 Q CB -1.135 27.761 28.738 0.264 0.000 0.987 760 Q HN 0.764 nan 8.270 nan 0.000 0.422 761 M N -0.179 119.571 119.600 0.250 0.000 2.270 761 M HA -0.283 4.197 4.480 -0.001 0.000 0.254 761 M C 2.429 178.804 176.300 0.125 0.000 1.072 761 M CA 2.426 57.859 55.300 0.222 0.000 1.077 761 M CB -0.685 31.950 32.600 0.058 0.000 1.288 761 M HN 0.307 nan 8.290 nan 0.000 0.424 762 S N -1.240 114.489 115.700 0.049 0.000 2.441 762 S HA 0.193 4.663 4.470 -0.001 0.000 0.224 762 S C 1.559 176.166 174.600 0.011 0.000 1.043 762 S CA 0.617 58.833 58.200 0.027 0.000 0.948 762 S CB 0.054 63.266 63.200 0.019 0.000 0.810 762 S HN 0.466 nan 8.310 nan 0.000 0.504 763 A N 0.322 123.140 122.820 -0.002 0.000 2.109 763 A HA 0.457 4.777 4.320 -0.001 0.000 0.220 763 A C 1.096 178.669 177.584 -0.018 0.000 1.613 763 A CA 0.700 52.736 52.037 -0.002 0.000 0.620 763 A CB -0.850 18.151 19.000 0.002 0.000 1.212 763 A HN 0.781 nan 8.150 nan 0.000 0.508 764 C N -2.522 116.754 119.300 -0.040 0.000 3.090 764 C HA 0.676 5.136 4.460 -0.001 0.000 0.305 764 C C 1.337 176.228 174.990 -0.165 0.000 1.292 764 C CA -0.054 58.908 59.018 -0.093 0.000 1.482 764 C CB 1.005 28.739 27.740 -0.011 0.000 1.897 764 C HN 0.480 nan 8.230 nan 0.000 0.469 765 V N 2.987 122.718 119.914 -0.306 0.000 2.535 765 V HA 0.473 4.592 4.120 -0.001 0.000 0.246 765 V C 1.685 177.618 176.094 -0.268 0.000 1.045 765 V CA 2.331 64.423 62.300 -0.347 0.000 1.058 765 V CB -0.690 30.777 31.823 -0.594 0.000 0.689 765 V HN 1.862 nan 8.190 nan 0.000 0.461 766 G N -0.109 108.453 108.800 -0.397 0.000 2.466 766 G HA2 -0.120 3.839 3.960 -0.001 0.000 0.316 766 G HA3 -0.120 3.839 3.960 -0.001 0.000 0.316 766 G C -0.627 174.084 174.900 -0.316 0.000 1.270 766 G CA -0.087 44.861 45.100 -0.254 0.000 0.982 766 G HN 0.454 nan 8.290 nan 0.000 0.506 767 Q N -0.166 119.700 119.800 0.110 0.000 2.304 767 Q HA 0.621 4.960 4.340 -0.001 0.000 0.260 767 Q C 0.314 176.352 176.000 0.063 0.000 0.965 767 Q CA 0.146 56.051 55.803 0.169 0.000 0.898 767 Q CB 1.092 29.997 28.738 0.279 0.000 1.196 767 Q HN 0.669 nan 8.270 nan 0.000 0.402 768 Q N 1.456 121.283 119.800 0.045 0.000 2.260 768 Q HA 0.638 4.977 4.340 -0.001 0.000 0.238 768 Q C -1.300 174.731 176.000 0.052 0.000 0.948 768 Q CA 0.125 55.969 55.803 0.068 0.000 0.895 768 Q CB 1.471 30.274 28.738 0.108 0.000 1.218 768 Q HN 0.763 nan 8.270 nan 0.000 0.470 769 S N 0.235 115.966 115.700 0.053 0.000 2.535 769 S HA 0.759 5.228 4.470 -0.001 0.000 0.272 769 S C -1.567 173.044 174.600 0.019 0.000 1.149 769 S CA -0.799 57.419 58.200 0.029 0.000 0.888 769 S CB 0.796 64.014 63.200 0.029 0.000 1.110 769 S HN 0.351 nan 8.310 nan 0.000 0.463 770 V N 1.581 121.498 119.914 0.006 0.000 2.656 770 V HA 0.749 4.868 4.120 -0.001 0.000 0.307 770 V C 0.354 176.441 176.094 -0.010 0.000 1.051 770 V CA -0.730 61.565 62.300 -0.007 0.000 0.893 770 V CB 0.902 32.720 31.823 -0.009 0.000 0.999 770 V HN 1.225 nan 8.190 nan 0.000 0.426 771 E N 2.537 122.723 120.200 -0.024 0.000 2.476 771 E HA -0.224 4.125 4.350 -0.001 0.000 0.251 771 E C 1.312 177.904 176.600 -0.015 0.000 1.130 771 E CA 1.543 57.928 56.400 -0.025 0.000 0.736 771 E CB -1.294 28.400 29.700 -0.010 0.000 1.298 771 E HN 1.953 nan 8.360 nan 0.000 0.400 772 G N -1.096 107.690 108.800 -0.023 0.000 2.270 772 G HA2 -0.441 3.518 3.960 -0.001 0.000 0.268 772 G HA3 -0.441 3.518 3.960 -0.001 0.000 0.268 772 G C 0.385 175.306 174.900 0.035 0.000 0.982 772 G CA 1.163 46.270 45.100 0.011 0.000 0.628 772 G HN 0.409 nan 8.290 nan 0.000 0.544 773 K N 0.866 121.278 120.400 0.019 0.000 2.123 773 K HA 0.609 4.928 4.320 -0.001 0.000 0.248 773 K C 1.171 177.772 176.600 0.002 0.000 0.969 773 K CA -0.919 55.375 56.287 0.012 0.000 0.882 773 K CB 1.037 33.540 32.500 0.005 0.000 1.080 773 K HN 0.462 nan 8.250 nan 0.000 0.441 774 R N 1.011 121.505 120.500 -0.008 0.000 2.980 774 R HA 0.095 4.435 4.340 -0.001 0.000 0.285 774 R C 0.176 176.456 176.300 -0.034 0.000 1.072 774 R CA -0.493 55.594 56.100 -0.023 0.000 1.203 774 R CB -0.261 30.019 30.300 -0.033 0.000 1.163 774 R HN 0.380 nan 8.270 nan 0.000 0.545 775 I N 1.112 121.643 120.570 -0.065 0.000 2.668 775 I HA -0.033 4.136 4.170 -0.001 0.000 0.285 775 I C 1.023 177.156 176.117 0.025 0.000 1.168 775 I CA -0.011 61.267 61.300 -0.036 0.000 1.424 775 I CB -0.486 37.432 38.000 -0.137 0.000 1.377 775 I HN 0.741 nan 8.210 nan 0.000 0.560 776 A N 7.459 130.314 122.820 0.060 0.000 2.587 776 A HA -0.033 4.286 4.320 -0.001 0.000 0.233 776 A C 0.131 177.873 177.584 0.264 0.000 1.049 776 A CA 0.151 52.251 52.037 0.105 0.000 0.754 776 A CB -0.280 18.766 19.000 0.078 0.000 0.977 776 A HN 0.630 nan 8.150 nan 0.000 0.509 777 F N 2.576 122.553 119.950 0.045 0.000 2.512 777 F HA 0.237 4.763 4.527 -0.001 0.000 0.350 777 F C 1.558 177.389 175.800 0.052 0.000 1.212 777 F CA -0.053 57.982 58.000 0.059 0.000 1.099 777 F CB 0.665 39.690 39.000 0.041 0.000 1.238 777 F HN 0.811 nan 8.300 nan 0.000 0.600 778 G N 4.422 113.335 108.800 0.189 0.000 2.559 778 G HA2 -0.003 3.957 3.960 -0.001 0.000 0.209 778 G HA3 -0.003 3.957 3.960 -0.001 0.000 0.209 778 G C 0.162 174.962 174.900 -0.166 0.000 1.151 778 G CA -0.093 45.000 45.100 -0.011 0.000 0.824 778 G HN 0.336 nan 8.290 nan 0.000 0.543 779 F N 0.825 120.803 119.950 0.048 0.000 2.389 779 F HA 0.383 4.909 4.527 -0.001 0.000 0.337 779 F C 0.800 176.570 175.800 -0.050 0.000 1.112 779 F CA -0.806 57.191 58.000 -0.005 0.000 1.192 779 F CB 1.494 40.479 39.000 -0.026 0.000 1.185 779 F HN -0.271 nan 8.300 nan 0.000 0.552 780 V N 4.004 124.000 119.914 0.137 0.000 2.539 780 V HA -0.165 3.955 4.120 -0.001 0.000 0.294 780 V C 0.010 176.071 176.094 -0.054 0.000 0.994 780 V CA 0.782 63.112 62.300 0.052 0.000 1.169 780 V CB -0.814 31.042 31.823 0.055 0.000 0.898 780 V HN 0.827 nan 8.190 nan 0.000 0.471 781 D N 3.300 123.629 120.400 -0.119 0.000 2.772 781 D HA -0.179 4.460 4.640 -0.001 0.000 0.233 781 D C 0.398 176.093 176.300 -1.008 0.000 1.143 781 D CA 1.591 55.379 54.000 -0.354 0.000 0.700 781 D CB -0.439 40.310 40.800 -0.085 0.000 1.076 781 D HN 0.999 nan 8.370 nan 0.000 0.430 782 R N -4.328 115.387 120.500 -1.308 0.000 2.829 782 R HA 0.377 4.716 4.340 -0.001 0.000 0.283 782 R C 0.829 176.918 176.300 -0.353 0.000 1.013 782 R CA -0.306 55.113 56.100 -1.136 0.000 0.848 782 R CB -0.023 30.060 30.300 -0.362 0.000 1.291 782 R HN -0.090 nan 8.270 nan 0.000 0.496 783 T N -1.377 113.238 114.554 0.102 0.000 2.953 783 T HA 0.309 4.659 4.350 -0.001 0.000 0.247 783 T C 0.794 175.874 174.700 0.633 0.000 1.029 783 T CA 0.304 62.673 62.100 0.447 0.000 1.144 783 T CB 0.114 69.285 68.868 0.505 0.000 0.870 783 T HN 0.294 nan 8.240 nan 0.000 0.446 784 L N 1.323 122.939 121.223 0.654 0.000 2.381 784 L HA 0.434 4.774 4.340 -0.001 0.000 0.268 784 L C -2.215 174.638 176.870 -0.027 0.000 0.997 784 L CA -2.775 52.317 54.840 0.420 0.000 0.818 784 L CB 2.650 44.998 42.059 0.482 0.000 1.310 784 L HN -0.160 nan 8.230 nan 0.000 0.416 785 P HA -0.144 nan 4.420 nan 0.000 0.231 785 P C 0.613 177.528 177.300 -0.641 0.000 1.154 785 P CA 1.143 63.807 63.100 -0.727 0.000 0.762 785 P CB -0.086 31.032 31.700 -0.969 0.000 0.790 786 H N -2.806 116.065 119.070 -0.332 0.000 2.575 786 H HA 0.199 4.754 4.556 -0.001 0.000 0.267 786 H C 0.564 175.616 175.328 -0.460 0.000 0.966 786 H CA 0.224 56.014 56.048 -0.431 0.000 1.165 786 H CB 0.015 29.445 29.762 -0.554 0.000 1.433 786 H HN 0.205 nan 8.280 nan 0.000 0.544 787 F N 0.531 120.525 119.950 0.073 0.000 2.541 787 F HA 0.387 4.913 4.527 -0.001 0.000 0.331 787 F C 0.987 176.776 175.800 -0.020 0.000 1.057 787 F CA -1.240 56.788 58.000 0.048 0.000 0.975 787 F CB 0.804 39.849 39.000 0.075 0.000 1.246 787 F HN -0.270 nan 8.300 nan 0.000 0.484 788 S N 0.272 116.088 115.700 0.194 0.000 2.569 788 S HA 0.092 4.561 4.470 -0.001 0.000 0.274 788 S C 0.049 174.665 174.600 0.027 0.000 1.353 788 S CA -0.695 57.553 58.200 0.079 0.000 1.023 788 S CB 0.263 63.505 63.200 0.070 0.000 0.876 788 S HN 0.426 nan 8.310 nan 0.000 0.540 789 K N 1.026 121.408 120.400 -0.029 0.000 2.230 789 K HA 0.048 4.367 4.320 -0.001 0.000 0.253 789 K C -0.204 176.347 176.600 -0.081 0.000 1.008 789 K CA -0.064 56.162 56.287 -0.102 0.000 0.910 789 K CB 0.150 32.606 32.500 -0.075 0.000 0.994 789 K HN 0.546 nan 8.250 nan 0.000 0.495 790 D N 1.813 122.135 120.400 -0.130 0.000 2.737 790 D HA -0.179 4.460 4.640 -0.001 0.000 0.238 790 D C -1.146 175.115 176.300 -0.066 0.000 1.157 790 D CA 0.999 54.981 54.000 -0.030 0.000 0.694 790 D CB -0.670 40.169 40.800 0.065 0.000 1.021 790 D HN 0.471 nan 8.370 nan 0.000 0.420 791 D N -0.428 119.921 120.400 -0.085 0.000 2.472 791 D HA 0.241 4.880 4.640 -0.001 0.000 0.234 791 D C 0.577 176.823 176.300 -0.090 0.000 1.088 791 D CA -0.467 53.496 54.000 -0.062 0.000 0.882 791 D CB 0.269 41.023 40.800 -0.077 0.000 1.037 791 D HN 0.155 nan 8.370 nan 0.000 0.520 792 Y N 1.350 121.736 120.300 0.144 0.000 2.448 792 Y HA -0.019 4.531 4.550 -0.001 0.000 0.289 792 Y C 1.698 177.653 175.900 0.091 0.000 1.114 792 Y CA 0.037 58.208 58.100 0.119 0.000 1.235 792 Y CB 0.047 38.592 38.460 0.142 0.000 1.045 792 Y HN 0.341 nan 8.280 nan 0.000 0.554 793 S N 1.917 117.730 115.700 0.188 0.000 2.522 793 S HA -0.173 4.296 4.470 -0.001 0.000 0.293 793 S C -1.585 173.024 174.600 0.015 0.000 1.289 793 S CA -0.294 57.954 58.200 0.080 0.000 1.028 793 S CB -0.078 63.141 63.200 0.031 0.000 0.756 793 S HN 0.164 nan 8.310 nan 0.000 0.480 794 P HA -0.145 nan 4.420 nan 0.000 0.214 794 P C 1.618 178.933 177.300 0.025 0.000 1.162 794 P CA 1.596 64.688 63.100 -0.012 0.000 0.874 794 P CB -0.220 31.420 31.700 -0.100 0.000 0.784 795 E N 0.452 120.686 120.200 0.057 0.000 2.265 795 E HA -0.129 4.220 4.350 -0.001 0.000 0.196 795 E C 2.007 178.554 176.600 -0.087 0.000 0.996 795 E CA 1.270 57.733 56.400 0.105 0.000 0.832 795 E CB -1.059 28.761 29.700 0.201 0.000 0.756 795 E HN 0.211 nan 8.360 nan 0.000 0.491 796 S N 0.511 115.976 115.700 -0.391 0.000 2.371 796 S HA -0.034 4.435 4.470 -0.001 0.000 0.224 796 S C 1.841 176.165 174.600 -0.460 0.000 1.029 796 S CA 0.718 58.383 58.200 -0.891 0.000 0.978 796 S CB 0.046 62.817 63.200 -0.715 0.000 0.833 796 S HN 0.142 nan 8.310 nan 0.000 0.466 797 K N -0.229 120.000 120.400 -0.285 0.000 2.356 797 K HA 0.225 4.544 4.320 -0.001 0.000 0.195 797 K C 0.952 177.336 176.600 -0.361 0.000 1.037 797 K CA 0.763 56.919 56.287 -0.217 0.000 1.014 797 K CB 0.708 33.163 32.500 -0.075 0.000 0.815 797 K HN 0.504 nan 8.250 nan 0.000 0.507 798 G N 1.712 110.273 108.800 -0.398 0.000 2.223 798 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.200 798 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.200 798 G C -0.564 174.283 174.900 -0.089 0.000 1.061 798 G CA -0.740 44.028 45.100 -0.554 0.000 0.790 798 G HN 0.153 nan 8.290 nan 0.000 0.498 799 F N 1.497 121.382 119.950 -0.109 0.000 2.429 799 F HA 0.582 5.108 4.527 -0.001 0.000 0.348 799 F C 0.520 176.339 175.800 0.032 0.000 1.109 799 F CA -0.431 57.553 58.000 -0.027 0.000 1.232 799 F CB 1.580 40.568 39.000 -0.021 0.000 1.157 799 F HN 0.000 nan 8.300 nan 0.000 0.564 800 V N 6.845 126.295 119.914 -0.773 0.000 2.204 800 V HA 0.102 4.222 4.120 -0.001 0.000 0.264 800 V C 1.066 176.682 176.094 -0.797 0.000 1.106 800 V CA -0.506 61.461 62.300 -0.555 0.000 0.947 800 V CB 0.266 31.823 31.823 -0.444 0.000 1.164 800 V HN 0.854 nan 8.190 nan 0.000 0.461 801 E N 1.751 121.646 120.200 -0.509 0.000 2.368 801 E HA -0.241 4.108 4.350 -0.001 0.000 0.222 801 E C 0.742 177.266 176.600 -0.127 0.000 1.099 801 E CA 1.533 57.883 56.400 -0.085 0.000 0.885 801 E CB 0.193 29.962 29.700 0.114 0.000 0.754 801 E HN 0.684 nan 8.360 nan 0.000 0.466 802 N N -0.265 118.315 118.700 -0.200 0.000 2.477 802 N HA 0.135 4.874 4.740 -0.001 0.000 0.284 802 N C -0.098 175.273 175.510 -0.232 0.000 1.182 802 N CA -0.085 52.868 53.050 -0.162 0.000 0.949 802 N CB 1.572 39.983 38.487 -0.127 0.000 1.204 802 N HN -0.050 nan 8.380 nan 0.000 0.526 803 S N -0.268 115.335 115.700 -0.162 0.000 2.671 803 S HA 0.304 4.773 4.470 -0.001 0.000 0.272 803 S C 0.832 175.319 174.600 -0.188 0.000 1.174 803 S CA -0.294 57.815 58.200 -0.152 0.000 1.004 803 S CB 0.394 63.568 63.200 -0.043 0.000 1.077 803 S HN 0.553 nan 8.310 nan 0.000 0.553 804 Y N -0.542 119.724 120.300 -0.056 0.000 2.262 804 Y HA 0.181 4.731 4.550 -0.001 0.000 0.295 804 Y C 2.299 178.175 175.900 -0.040 0.000 1.121 804 Y CA 0.403 58.475 58.100 -0.046 0.000 1.144 804 Y CB -0.418 38.025 38.460 -0.030 0.000 1.043 804 Y HN 0.527 nan 8.280 nan 0.000 0.528 805 L N 0.219 121.527 121.223 0.143 0.000 2.089 805 L HA -0.316 4.023 4.340 -0.001 0.000 0.213 805 L C 2.452 179.335 176.870 0.022 0.000 1.079 805 L CA 1.549 56.425 54.840 0.059 0.000 0.758 805 L CB -0.166 41.919 42.059 0.043 0.000 0.891 805 L HN 0.043 nan 8.230 nan 0.000 0.433 806 R N 0.451 120.953 120.500 0.003 0.000 2.105 806 R HA 0.070 4.409 4.340 -0.001 0.000 0.239 806 R C 0.784 177.069 176.300 -0.025 0.000 1.135 806 R CA 0.800 56.889 56.100 -0.017 0.000 0.967 806 R CB -0.765 29.513 30.300 -0.037 0.000 0.861 806 R HN 0.631 nan 8.270 nan 0.000 0.442 807 G N -1.885 106.896 108.800 -0.031 0.000 2.712 807 G HA2 -0.121 3.838 3.960 -0.001 0.000 0.683 807 G HA3 -0.121 3.838 3.960 -0.001 0.000 0.683 807 G C -1.441 173.409 174.900 -0.084 0.000 1.320 807 G CA -0.455 44.615 45.100 -0.049 0.000 0.847 807 G HN 0.176 nan 8.290 nan 0.000 0.553 808 L N 0.266 121.435 121.223 -0.091 0.000 2.333 808 L HA 0.799 5.138 4.340 -0.001 0.000 0.263 808 L C 1.111 177.967 176.870 -0.024 0.000 1.014 808 L CA -0.224 54.568 54.840 -0.080 0.000 0.820 808 L CB 2.300 44.311 42.059 -0.080 0.000 1.352 808 L HN 1.029 nan 8.230 nan 0.000 0.421 809 T N -0.730 113.838 114.554 0.024 0.000 2.874 809 T HA 0.341 4.691 4.350 -0.001 0.000 0.281 809 T C -1.997 172.755 174.700 0.086 0.000 0.994 809 T CA -1.461 60.664 62.100 0.041 0.000 1.015 809 T CB 0.721 69.620 68.868 0.052 0.000 1.028 809 T HN 0.404 nan 8.240 nan 0.000 0.523 810 P HA -0.248 nan 4.420 nan 0.000 0.212 810 P C 1.441 178.759 177.300 0.030 0.000 1.174 810 P CA 1.579 64.707 63.100 0.046 0.000 0.934 810 P CB 0.025 31.680 31.700 -0.077 0.000 0.791 811 Q N 0.020 119.791 119.800 -0.048 0.000 2.030 811 Q HA -0.195 4.145 4.340 -0.001 0.000 0.204 811 Q C 2.326 178.236 176.000 -0.151 0.000 0.986 811 Q CA 1.718 57.428 55.803 -0.154 0.000 0.843 811 Q CB -0.928 27.854 28.738 0.073 0.000 0.904 811 Q HN 0.407 nan 8.270 nan 0.000 0.420 812 E N -0.295 120.002 120.200 0.162 0.000 2.114 812 E HA -0.229 4.120 4.350 -0.001 0.000 0.199 812 E C 1.668 178.429 176.600 0.268 0.000 1.008 812 E CA 1.131 57.692 56.400 0.269 0.000 0.810 812 E CB -0.219 29.572 29.700 0.152 0.000 0.739 812 E HN 0.256 nan 8.360 nan 0.000 0.456 813 F N 0.762 120.750 119.950 0.063 0.000 2.075 813 F HA -0.226 4.300 4.527 -0.001 0.000 0.297 813 F C 2.002 177.913 175.800 0.184 0.000 1.113 813 F CA 1.149 59.223 58.000 0.123 0.000 1.218 813 F CB -0.783 38.268 39.000 0.084 0.000 0.984 813 F HN -0.009 nan 8.300 nan 0.000 0.472 814 F N 0.546 120.370 119.950 -0.209 0.000 2.069 814 F HA -0.241 4.286 4.527 -0.001 0.000 0.298 814 F C 2.339 178.030 175.800 -0.183 0.000 1.113 814 F CA 1.616 59.392 58.000 -0.373 0.000 1.214 814 F CB -1.408 37.344 39.000 -0.412 0.000 0.978 814 F HN 0.022 nan 8.300 nan 0.000 0.474 815 F N -1.025 118.987 119.950 0.102 0.000 2.120 815 F HA -0.306 4.221 4.527 -0.001 0.000 0.300 815 F C 2.649 178.476 175.800 0.045 0.000 1.095 815 F CA 1.415 59.416 58.000 0.002 0.000 1.249 815 F CB -1.000 38.055 39.000 0.092 0.000 0.995 815 F HN 0.089 nan 8.300 nan 0.000 0.480 816 H N 0.663 119.834 119.070 0.168 0.000 2.253 816 H HA -0.165 4.391 4.556 -0.001 0.000 0.296 816 H C 2.274 177.628 175.328 0.043 0.000 1.074 816 H CA 1.368 57.494 56.048 0.131 0.000 1.263 816 H CB -0.923 28.973 29.762 0.224 0.000 1.363 816 H HN 0.132 nan 8.280 nan 0.000 0.489 817 A N 0.765 123.582 122.820 -0.006 0.000 1.935 817 A HA -0.377 3.942 4.320 -0.001 0.000 0.224 817 A C 2.702 180.179 177.584 -0.179 0.000 1.324 817 A CA 3.080 55.008 52.037 -0.181 0.000 0.686 817 A CB -1.153 17.699 19.000 -0.248 0.000 0.837 817 A HN 0.577 nan 8.150 nan 0.000 0.481 818 M N -1.460 118.007 119.600 -0.222 0.000 2.132 818 M HA -0.068 4.411 4.480 -0.001 0.000 0.263 818 M C 2.324 178.580 176.300 -0.072 0.000 1.065 818 M CA 1.382 56.567 55.300 -0.193 0.000 1.122 818 M CB -0.509 31.965 32.600 -0.210 0.000 1.365 818 M HN 0.547 nan 8.290 nan 0.000 0.411 819 G N -0.244 108.553 108.800 -0.004 0.000 2.443 819 G HA2 -0.053 3.906 3.960 -0.001 0.000 0.219 819 G HA3 -0.053 3.906 3.960 -0.001 0.000 0.219 819 G C 1.420 176.311 174.900 -0.016 0.000 1.131 819 G CA 0.821 45.934 45.100 0.022 0.000 0.775 819 G HN 0.545 nan 8.290 nan 0.000 0.547 820 G N 0.867 109.627 108.800 -0.066 0.000 2.639 820 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.216 820 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.216 820 G C 1.780 176.645 174.900 -0.058 0.000 1.267 820 G CA 1.171 46.213 45.100 -0.095 0.000 0.801 820 G HN 0.415 nan 8.290 nan 0.000 0.592 821 R N 0.422 120.885 120.500 -0.061 0.000 2.113 821 R HA -0.128 4.211 4.340 -0.001 0.000 0.244 821 R C 2.512 178.790 176.300 -0.037 0.000 1.142 821 R CA 2.066 58.139 56.100 -0.045 0.000 0.953 821 R CB -0.482 29.790 30.300 -0.046 0.000 0.860 821 R HN 0.629 nan 8.270 nan 0.000 0.438 822 E N -1.089 119.088 120.200 -0.038 0.000 2.065 822 E HA -0.227 4.122 4.350 -0.001 0.000 0.201 822 E C 1.782 178.365 176.600 -0.029 0.000 1.016 822 E CA 1.679 58.060 56.400 -0.032 0.000 0.818 822 E CB -0.426 29.256 29.700 -0.031 0.000 0.749 822 E HN 0.533 nan 8.360 nan 0.000 0.453 823 G N 1.458 110.244 108.800 -0.025 0.000 2.587 823 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.217 823 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.217 823 G C 1.617 176.505 174.900 -0.020 0.000 1.240 823 G CA 1.254 46.343 45.100 -0.020 0.000 0.794 823 G HN 0.283 nan 8.290 nan 0.000 0.580 824 L N 0.443 121.654 121.223 -0.020 0.000 2.103 824 L HA -0.200 4.139 4.340 -0.001 0.000 0.215 824 L C 2.858 179.718 176.870 -0.018 0.000 1.080 824 L CA 0.684 55.514 54.840 -0.018 0.000 0.764 824 L CB -0.606 41.442 42.059 -0.019 0.000 0.890 824 L HN 0.196 nan 8.230 nan 0.000 0.435 825 I N 0.935 121.493 120.570 -0.021 0.000 2.060 825 I HA -0.291 3.879 4.170 -0.001 0.000 0.233 825 I C 2.250 178.356 176.117 -0.019 0.000 1.054 825 I CA 2.260 63.548 61.300 -0.020 0.000 1.318 825 I CB -1.395 36.591 38.000 -0.023 0.000 1.054 825 I HN 0.414 nan 8.210 nan 0.000 0.395 826 D N -0.173 120.213 120.400 -0.023 0.000 2.310 826 D HA -0.134 4.505 4.640 -0.001 0.000 0.212 826 D C 1.754 178.044 176.300 -0.018 0.000 0.965 826 D CA 1.047 55.034 54.000 -0.022 0.000 0.879 826 D CB -0.629 40.152 40.800 -0.032 0.000 0.921 826 D HN 0.236 nan 8.370 nan 0.000 0.510 827 T N 0.076 114.621 114.554 -0.016 0.000 2.788 827 T HA -0.114 4.236 4.350 -0.001 0.000 0.268 827 T C 2.168 176.861 174.700 -0.011 0.000 1.044 827 T CA 1.380 63.473 62.100 -0.013 0.000 1.139 827 T CB -0.411 68.450 68.868 -0.011 0.000 0.867 827 T HN 0.389 nan 8.240 nan 0.000 0.454 828 A N 0.765 123.578 122.820 -0.012 0.000 1.930 828 A HA 0.000 4.320 4.320 -0.001 0.000 0.217 828 A C 2.565 180.144 177.584 -0.009 0.000 1.175 828 A CA 1.134 53.165 52.037 -0.011 0.000 0.627 828 A CB -0.845 18.148 19.000 -0.012 0.000 0.815 828 A HN 0.356 nan 8.150 nan 0.000 0.443 829 V N 0.314 120.222 119.914 -0.009 0.000 2.379 829 V HA -0.220 3.899 4.120 -0.001 0.000 0.245 829 V C 2.518 178.613 176.094 0.002 0.000 1.044 829 V CA 2.251 64.548 62.300 -0.005 0.000 1.036 829 V CB -0.592 31.226 31.823 -0.008 0.000 0.664 829 V HN 0.769 nan 8.190 nan 0.000 0.453 830 K N 0.984 121.382 120.400 -0.002 0.000 2.001 830 K HA -0.265 4.054 4.320 -0.001 0.000 0.214 830 K C 2.113 178.716 176.600 0.006 0.000 1.050 830 K CA 2.601 58.888 56.287 0.001 0.000 0.934 830 K CB -0.656 31.840 32.500 -0.007 0.000 0.718 830 K HN 0.603 nan 8.250 nan 0.000 0.443 831 T N -1.343 113.212 114.554 0.000 0.000 2.881 831 T HA -0.012 4.337 4.350 -0.001 0.000 0.270 831 T C 1.983 176.690 174.700 0.011 0.000 1.068 831 T CA 0.926 63.026 62.100 0.000 0.000 1.131 831 T CB -0.373 68.491 68.868 -0.007 0.000 0.871 831 T HN 0.373 nan 8.240 nan 0.000 0.479 832 A N 1.679 124.507 122.820 0.013 0.000 1.854 832 A HA 0.023 4.342 4.320 -0.001 0.000 0.214 832 A C 2.320 179.936 177.584 0.055 0.000 1.192 832 A CA 1.471 53.521 52.037 0.022 0.000 0.611 832 A CB -0.822 18.182 19.000 0.006 0.000 0.832 832 A HN 0.547 nan 8.150 nan 0.000 0.442 833 E N -0.664 119.568 120.200 0.054 0.000 2.033 833 E HA -0.218 4.131 4.350 -0.001 0.000 0.199 833 E C 2.223 178.882 176.600 0.100 0.000 1.011 833 E CA 2.283 58.736 56.400 0.089 0.000 0.815 833 E CB -0.229 29.507 29.700 0.060 0.000 0.755 833 E HN 0.731 nan 8.360 nan 0.000 0.451 834 T N -2.150 112.435 114.554 0.051 0.000 2.929 834 T HA -0.068 4.281 4.350 -0.001 0.000 0.271 834 T C 1.848 176.567 174.700 0.033 0.000 1.085 834 T CA 1.235 63.351 62.100 0.026 0.000 1.125 834 T CB -0.421 68.447 68.868 0.000 0.000 0.874 834 T HN 0.229 nan 8.240 nan 0.000 0.494 835 G N -0.758 108.076 108.800 0.056 0.000 2.471 835 G HA2 -0.099 3.860 3.960 -0.001 0.000 0.219 835 G HA3 -0.099 3.860 3.960 -0.001 0.000 0.219 835 G C 1.278 176.256 174.900 0.131 0.000 1.125 835 G CA 0.687 45.825 45.100 0.063 0.000 0.775 835 G HN 0.588 nan 8.290 nan 0.000 0.548 836 Y N 0.802 121.108 120.300 0.010 0.000 2.347 836 Y HA 0.173 4.722 4.550 -0.001 0.000 0.294 836 Y C 2.416 178.349 175.900 0.055 0.000 1.117 836 Y CA -0.474 57.643 58.100 0.029 0.000 1.184 836 Y CB -0.113 38.363 38.460 0.026 0.000 1.047 836 Y HN 0.027 nan 8.280 nan 0.000 0.546 837 I N 0.994 121.514 120.570 -0.083 0.000 2.087 837 I HA -0.376 3.794 4.170 -0.001 0.000 0.240 837 I C 2.527 178.563 176.117 -0.136 0.000 1.054 837 I CA 1.699 62.906 61.300 -0.155 0.000 1.311 837 I CB -1.376 36.590 38.000 -0.058 0.000 1.024 837 I HN 0.358 nan 8.210 nan 0.000 0.402 838 Q N 0.372 120.129 119.800 -0.072 0.000 2.061 838 Q HA -0.245 4.094 4.340 -0.001 0.000 0.204 838 Q C 2.436 178.409 176.000 -0.045 0.000 0.984 838 Q CA 1.650 57.415 55.803 -0.064 0.000 0.846 838 Q CB -0.309 28.399 28.738 -0.050 0.000 0.902 838 Q HN 0.396 nan 8.270 nan 0.000 0.421 839 R N 0.288 120.791 120.500 0.006 0.000 2.117 839 R HA -0.181 4.158 4.340 -0.001 0.000 0.243 839 R C 2.166 178.530 176.300 0.107 0.000 1.143 839 R CA 1.694 57.841 56.100 0.078 0.000 0.968 839 R CB 0.005 30.412 30.300 0.177 0.000 0.863 839 R HN 0.198 nan 8.270 nan 0.000 0.444 840 R N -0.095 120.413 120.500 0.012 0.000 2.062 840 R HA -0.004 4.335 4.340 -0.001 0.000 0.226 840 R C 2.490 178.665 176.300 -0.209 0.000 1.125 840 R CA 1.101 57.228 56.100 0.045 0.000 0.966 840 R CB -0.378 29.888 30.300 -0.057 0.000 0.861 840 R HN 0.170 nan 8.270 nan 0.000 0.433 841 L N 0.192 121.296 121.223 -0.198 0.000 1.971 841 L HA -0.264 4.075 4.340 -0.001 0.000 0.215 841 L C 2.348 179.075 176.870 -0.237 0.000 1.072 841 L CA 1.412 56.110 54.840 -0.237 0.000 0.758 841 L CB -0.606 41.359 42.059 -0.157 0.000 0.889 841 L HN 0.063 nan 8.230 nan 0.000 0.433 842 V N -0.538 119.292 119.914 -0.140 0.000 2.392 842 V HA -0.281 3.838 4.120 -0.001 0.000 0.249 842 V C 2.449 178.476 176.094 -0.111 0.000 1.059 842 V CA 1.620 63.860 62.300 -0.100 0.000 1.051 842 V CB -0.499 31.298 31.823 -0.043 0.000 0.658 842 V HN 0.366 nan 8.190 nan 0.000 0.455 843 K N -0.464 119.872 120.400 -0.107 0.000 2.418 843 K HA 0.175 4.494 4.320 -0.001 0.000 0.195 843 K C 1.894 178.284 176.600 -0.350 0.000 1.035 843 K CA 0.960 57.200 56.287 -0.080 0.000 1.003 843 K CB 0.100 32.704 32.500 0.174 0.000 0.793 843 K HN 0.482 nan 8.250 nan 0.000 0.494 844 A N 0.115 122.495 122.820 -0.734 0.000 2.147 844 A HA 0.126 4.445 4.320 -0.001 0.000 0.211 844 A C 1.819 179.087 177.584 -0.526 0.000 1.160 844 A CA 0.402 51.715 52.037 -1.207 0.000 0.781 844 A CB 0.102 18.071 19.000 -1.718 0.000 0.842 844 A HN 0.137 nan 8.150 nan 0.000 0.475 845 L N -2.828 118.207 121.223 -0.314 0.000 2.515 845 L HA 0.195 4.534 4.340 -0.001 0.000 0.202 845 L C 1.621 178.431 176.870 -0.101 0.000 1.056 845 L CA 0.726 55.461 54.840 -0.174 0.000 0.847 845 L CB -0.501 41.477 42.059 -0.135 0.000 1.131 845 L HN 0.442 nan 8.230 nan 0.000 0.484 846 E N 1.170 121.318 120.200 -0.087 0.000 3.676 846 E HA -0.396 3.953 4.350 -0.001 0.000 0.424 846 E C 0.756 177.336 176.600 -0.033 0.000 1.535 846 E CA 2.498 58.868 56.400 -0.050 0.000 1.478 846 E CB -0.833 28.844 29.700 -0.038 0.000 1.384 846 E HN 0.715 nan 8.360 nan 0.000 0.349 847 D N 0.573 120.960 120.400 -0.022 0.000 2.328 847 D HA 0.009 4.648 4.640 -0.001 0.000 0.221 847 D C 0.483 176.789 176.300 0.011 0.000 1.072 847 D CA 0.032 54.029 54.000 -0.006 0.000 0.850 847 D CB -0.114 40.691 40.800 0.009 0.000 0.922 847 D HN 0.220 nan 8.370 nan 0.000 0.516 848 I N 2.693 123.263 120.570 0.000 0.000 2.755 848 I HA 0.038 4.207 4.170 -0.001 0.000 0.303 848 I C 0.721 176.854 176.117 0.027 0.000 1.168 848 I CA 0.336 61.647 61.300 0.019 0.000 1.588 848 I CB -1.423 36.577 38.000 0.000 0.000 1.509 848 I HN 0.150 nan 8.210 nan 0.000 0.734 849 M N 4.414 124.036 119.600 0.037 0.000 2.644 849 M HA 0.658 5.138 4.480 -0.001 0.000 0.316 849 M C -0.651 175.671 176.300 0.038 0.000 1.200 849 M CA -0.841 54.448 55.300 -0.018 0.000 0.944 849 M CB 1.942 34.475 32.600 -0.113 0.000 1.691 849 M HN -0.079 nan 8.290 nan 0.000 0.471 850 V N 3.041 122.926 119.914 -0.049 0.000 2.439 850 V HA 0.193 4.313 4.120 -0.001 0.000 0.271 850 V C 0.453 176.513 176.094 -0.057 0.000 1.040 850 V CA -0.212 62.079 62.300 -0.016 0.000 1.002 850 V CB -0.646 31.099 31.823 -0.130 0.000 1.000 850 V HN 0.781 nan 8.190 nan 0.000 0.477 851 H N 3.131 122.149 119.070 -0.086 0.000 2.509 851 H HA 0.187 4.742 4.556 -0.001 0.000 0.360 851 H C -0.116 175.175 175.328 -0.061 0.000 1.398 851 H CA -0.253 55.745 56.048 -0.083 0.000 1.429 851 H CB 1.045 30.806 29.762 -0.003 0.000 1.611 851 H HN 0.598 nan 8.280 nan 0.000 0.606 852 Y N 0.697 121.085 120.300 0.147 0.000 2.488 852 Y HA -0.076 4.473 4.550 -0.001 0.000 0.319 852 Y C 0.620 176.563 175.900 0.072 0.000 1.212 852 Y CA -0.033 58.115 58.100 0.080 0.000 1.273 852 Y CB -0.021 38.480 38.460 0.070 0.000 1.074 852 Y HN 0.545 nan 8.280 nan 0.000 0.503 853 D N -3.235 117.290 120.400 0.209 0.000 2.501 853 D HA 0.030 4.669 4.640 -0.001 0.000 0.224 853 D C 0.346 176.714 176.300 0.113 0.000 1.202 853 D CA -0.182 53.903 54.000 0.142 0.000 0.829 853 D CB -0.359 40.510 40.800 0.115 0.000 1.023 853 D HN -0.024 nan 8.370 nan 0.000 0.499 854 N N -0.638 118.124 118.700 0.104 0.000 2.828 854 N HA -0.179 4.561 4.740 -0.001 0.000 0.248 854 N C -0.813 174.757 175.510 0.101 0.000 1.044 854 N CA 1.275 54.376 53.050 0.085 0.000 0.851 854 N CB -1.297 37.238 38.487 0.080 0.000 1.136 854 N HN 0.427 nan 8.380 nan 0.000 0.572 855 T N 0.631 115.238 114.554 0.088 0.000 2.767 855 T HA 0.329 4.678 4.350 -0.001 0.000 0.288 855 T C -0.031 174.687 174.700 0.030 0.000 0.963 855 T CA -0.047 62.079 62.100 0.043 0.000 1.019 855 T CB 0.645 69.506 68.868 -0.012 0.000 0.923 855 T HN 0.093 nan 8.240 nan 0.000 0.468 856 T N 7.458 122.030 114.554 0.030 0.000 2.769 856 T HA 0.357 4.706 4.350 -0.001 0.000 0.293 856 T C 0.454 175.133 174.700 -0.035 0.000 0.931 856 T CA -0.312 61.819 62.100 0.051 0.000 1.139 856 T CB 0.218 69.131 68.868 0.074 0.000 0.881 856 T HN 0.509 nan 8.240 nan 0.000 0.532 857 R N 2.521 123.025 120.500 0.007 0.000 3.150 857 R HA 0.635 4.974 4.340 -0.001 0.000 0.236 857 R C -0.368 175.935 176.300 0.005 0.000 1.469 857 R CA -0.968 55.072 56.100 -0.101 0.000 1.045 857 R CB 1.019 31.076 30.300 -0.405 0.000 1.481 857 R HN 0.750 nan 8.270 nan 0.000 0.506 858 N N -2.268 116.423 118.700 -0.015 0.000 3.344 858 N HA 0.049 4.789 4.740 -0.001 0.000 0.296 858 N C 0.186 175.724 175.510 0.046 0.000 1.571 858 N CA -0.455 52.620 53.050 0.041 0.000 0.844 858 N CB 0.019 38.511 38.487 0.008 0.000 1.718 858 N HN 0.344 nan 8.380 nan 0.000 0.589 859 S N -0.573 115.154 115.700 0.045 0.000 2.402 859 S HA -0.140 4.329 4.470 -0.001 0.000 0.233 859 S C 1.465 176.085 174.600 0.034 0.000 1.030 859 S CA 1.258 59.486 58.200 0.047 0.000 1.003 859 S CB -0.739 62.486 63.200 0.042 0.000 0.813 859 S HN 0.491 nan 8.310 nan 0.000 0.477 860 L N 1.008 122.241 121.223 0.017 0.000 2.509 860 L HA 0.314 4.654 4.340 -0.001 0.000 0.222 860 L C 1.636 178.497 176.870 -0.016 0.000 1.123 860 L CA 0.388 55.232 54.840 0.006 0.000 0.856 860 L CB -0.610 41.452 42.059 0.004 0.000 0.985 860 L HN 0.526 nan 8.230 nan 0.000 0.456 861 G N 0.580 109.358 108.800 -0.038 0.000 2.256 861 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.272 861 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.272 861 G C -0.145 174.688 174.900 -0.111 0.000 1.076 861 G CA -0.196 44.842 45.100 -0.104 0.000 0.882 861 G HN 0.310 nan 8.290 nan 0.000 0.497 862 N N -0.743 117.902 118.700 -0.091 0.000 2.525 862 N HA 0.447 5.187 4.740 -0.001 0.000 0.271 862 N C 0.684 176.096 175.510 -0.163 0.000 1.194 862 N CA -0.286 52.703 53.050 -0.101 0.000 0.964 862 N CB 1.452 39.901 38.487 -0.065 0.000 1.126 862 N HN 0.151 nan 8.380 nan 0.000 0.452 863 V N 3.252 123.031 119.914 -0.225 0.000 2.649 863 V HA 0.200 4.320 4.120 -0.001 0.000 0.292 863 V C 1.194 177.107 176.094 -0.302 0.000 1.055 863 V CA -0.094 61.978 62.300 -0.380 0.000 1.023 863 V CB 0.866 32.245 31.823 -0.740 0.000 0.992 863 V HN 0.537 nan 8.190 nan 0.000 0.480 864 I N 1.579 121.986 120.570 -0.272 0.000 3.746 864 I HA 0.237 4.406 4.170 -0.001 0.000 0.262 864 I C 0.443 176.478 176.117 -0.136 0.000 1.153 864 I CA 0.427 61.632 61.300 -0.157 0.000 1.395 864 I CB -0.127 37.817 38.000 -0.094 0.000 1.589 864 I HN 0.538 nan 8.210 nan 0.000 0.441 865 Q N 0.606 120.328 119.800 -0.130 0.000 2.325 865 Q HA 0.387 4.726 4.340 -0.001 0.000 0.270 865 Q C 0.002 175.963 176.000 -0.064 0.000 1.020 865 Q CA -0.551 55.220 55.803 -0.052 0.000 0.785 865 Q CB 2.395 31.102 28.738 -0.050 0.000 1.259 865 Q HN 0.065 nan 8.270 nan 0.000 0.452 866 F N 1.282 121.233 119.950 0.002 0.000 2.236 866 F HA -0.129 4.398 4.527 -0.001 0.000 0.302 866 F C 0.655 176.473 175.800 0.030 0.000 1.073 866 F CA 1.071 59.078 58.000 0.012 0.000 1.336 866 F CB 0.291 39.296 39.000 0.008 0.000 1.040 866 F HN 0.421 nan 8.300 nan 0.000 0.507 867 I N -1.769 118.915 120.570 0.191 0.000 2.534 867 I HA 0.109 4.279 4.170 -0.001 0.000 0.286 867 I C -0.730 175.457 176.117 0.116 0.000 1.094 867 I CA -0.933 60.455 61.300 0.145 0.000 1.055 867 I CB 1.020 39.099 38.000 0.132 0.000 1.225 867 I HN -0.143 nan 8.210 nan 0.000 0.435 868 Y N 6.743 127.053 120.300 0.018 0.000 2.895 868 Y HA 0.243 4.793 4.550 -0.001 0.000 0.334 868 Y C 1.506 177.398 175.900 -0.012 0.000 1.261 868 Y CA 1.482 59.575 58.100 -0.012 0.000 1.560 868 Y CB 0.505 38.948 38.460 -0.028 0.000 1.253 868 Y HN 0.907 nan 8.280 nan 0.000 0.582 869 G N 3.579 111.865 108.800 -0.858 0.000 2.196 869 G HA2 -0.402 3.557 3.960 -0.001 0.000 0.268 869 G HA3 -0.402 3.557 3.960 -0.001 0.000 0.268 869 G C 0.536 175.329 174.900 -0.178 0.000 0.975 869 G CA 0.781 45.469 45.100 -0.686 0.000 0.648 869 G HN 0.975 nan 8.290 nan 0.000 0.538 870 E N -2.053 118.094 120.200 -0.089 0.000 4.155 870 E HA -0.249 4.100 4.350 -0.001 0.000 0.367 870 E C 0.953 177.586 176.600 0.055 0.000 0.631 870 E CA 1.704 58.120 56.400 0.026 0.000 1.351 870 E CB -0.990 28.755 29.700 0.076 0.000 1.759 870 E HN 0.823 nan 8.360 nan 0.000 0.401 871 D N -1.196 119.240 120.400 0.059 0.000 2.516 871 D HA 0.171 4.810 4.640 -0.001 0.000 0.241 871 D C 1.039 177.391 176.300 0.087 0.000 1.246 871 D CA 0.658 54.709 54.000 0.084 0.000 0.808 871 D CB 0.059 40.911 40.800 0.086 0.000 1.147 871 D HN 0.347 nan 8.370 nan 0.000 0.527 872 G N 1.048 109.916 108.800 0.114 0.000 2.198 872 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.260 872 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.260 872 G C -0.179 174.753 174.900 0.053 0.000 1.025 872 G CA 0.720 45.888 45.100 0.114 0.000 0.769 872 G HN 0.377 nan 8.290 nan 0.000 0.507 873 M N 0.765 120.425 119.600 0.101 0.000 2.436 873 M HA 0.450 4.929 4.480 -0.001 0.000 0.331 873 M C -0.095 176.260 176.300 0.091 0.000 1.135 873 M CA -1.283 54.016 55.300 -0.002 0.000 0.987 873 M CB 1.500 34.074 32.600 -0.043 0.000 1.687 873 M HN 0.200 nan 8.290 nan 0.000 0.445 874 D N 2.280 122.656 120.400 -0.041 0.000 2.351 874 D HA 0.220 4.859 4.640 -0.001 0.000 0.251 874 D C 0.148 176.515 176.300 0.111 0.000 1.137 874 D CA 0.127 54.121 54.000 -0.011 0.000 0.879 874 D CB 1.454 42.176 40.800 -0.129 0.000 1.181 874 D HN 0.785 nan 8.370 nan 0.000 0.448 875 A N 3.432 126.346 122.820 0.155 0.000 2.239 875 A HA 0.144 4.463 4.320 -0.001 0.000 0.209 875 A C 1.746 179.443 177.584 0.188 0.000 1.171 875 A CA 1.066 53.208 52.037 0.175 0.000 0.768 875 A CB -0.093 19.010 19.000 0.171 0.000 0.790 875 A HN 0.621 nan 8.150 nan 0.000 0.478 876 A N -0.977 121.974 122.820 0.219 0.000 1.975 876 A HA 0.002 4.322 4.320 -0.001 0.000 0.215 876 A C 1.375 179.019 177.584 0.101 0.000 1.170 876 A CA 0.542 52.660 52.037 0.135 0.000 0.656 876 A CB -0.504 18.543 19.000 0.077 0.000 0.821 876 A HN 0.670 nan 8.150 nan 0.000 0.449 877 H N -0.960 118.141 119.070 0.050 0.000 2.727 877 H HA 0.481 5.037 4.556 -0.001 0.000 0.312 877 H C -0.995 174.360 175.328 0.045 0.000 1.204 877 H CA -0.006 56.068 56.048 0.043 0.000 1.122 877 H CB -0.153 29.598 29.762 -0.018 0.000 1.453 877 H HN 0.280 nan 8.280 nan 0.000 0.514 878 I N 1.769 122.455 120.570 0.194 0.000 2.686 878 I HA 0.177 4.346 4.170 -0.001 0.000 0.295 878 I C -1.074 175.154 176.117 0.186 0.000 1.114 878 I CA -0.655 60.743 61.300 0.165 0.000 1.038 878 I CB 2.686 40.791 38.000 0.175 0.000 1.238 878 I HN 0.299 nan 8.210 nan 0.000 0.420 879 E N 4.389 124.674 120.200 0.143 0.000 2.380 879 E HA 0.199 4.548 4.350 -0.001 0.000 0.281 879 E C -1.222 175.434 176.600 0.094 0.000 0.999 879 E CA -1.157 55.309 56.400 0.109 0.000 0.800 879 E CB 1.557 31.229 29.700 -0.046 0.000 1.228 879 E HN 0.356 nan 8.360 nan 0.000 0.436 880 K N 2.417 122.860 120.400 0.072 0.000 1.964 880 K HA -0.069 4.250 4.320 -0.001 0.000 0.206 880 K C -0.544 176.072 176.600 0.026 0.000 1.151 880 K CA 0.475 56.781 56.287 0.031 0.000 1.269 880 K CB -0.185 32.294 32.500 -0.035 0.000 1.112 880 K HN 0.338 nan 8.250 nan 0.000 0.231 881 Q N 1.229 121.077 119.800 0.080 0.000 2.261 881 Q HA 0.071 4.410 4.340 -0.001 0.000 0.252 881 Q C -0.268 175.784 176.000 0.086 0.000 0.915 881 Q CA -0.496 55.361 55.803 0.092 0.000 0.915 881 Q CB 1.629 30.454 28.738 0.147 0.000 1.204 881 Q HN 0.431 nan 8.270 nan 0.000 0.421 882 S N 3.697 119.437 115.700 0.066 0.000 2.439 882 S HA 0.198 4.667 4.470 -0.001 0.000 0.282 882 S C 0.106 174.769 174.600 0.105 0.000 1.170 882 S CA -0.741 57.490 58.200 0.051 0.000 1.054 882 S CB 0.082 63.299 63.200 0.029 0.000 0.956 882 S HN 0.557 nan 8.310 nan 0.000 0.490 883 L N 5.125 126.429 121.223 0.133 0.000 2.617 883 L HA 0.070 4.409 4.340 -0.001 0.000 0.282 883 L C 0.964 177.934 176.870 0.166 0.000 1.174 883 L CA -0.251 54.696 54.840 0.178 0.000 1.016 883 L CB -0.164 42.041 42.059 0.244 0.000 1.337 883 L HN 0.759 nan 8.230 nan 0.000 0.460 884 D N 1.202 121.705 120.400 0.171 0.000 2.389 884 D HA -0.120 4.519 4.640 -0.001 0.000 0.221 884 D C 1.767 178.190 176.300 0.205 0.000 0.974 884 D CA 1.504 55.619 54.000 0.191 0.000 0.923 884 D CB 0.318 41.261 40.800 0.239 0.000 0.892 884 D HN 0.632 nan 8.370 nan 0.000 0.518 885 T N -3.151 111.510 114.554 0.179 0.000 3.044 885 T HA 0.150 4.500 4.350 -0.001 0.000 0.260 885 T C 1.892 176.710 174.700 0.197 0.000 1.019 885 T CA -0.367 61.844 62.100 0.185 0.000 0.921 885 T CB 0.398 69.329 68.868 0.106 0.000 1.053 885 T HN -0.062 nan 8.240 nan 0.000 0.533 886 I N 2.317 123.004 120.570 0.194 0.000 2.162 886 I HA 0.166 4.335 4.170 -0.001 0.000 0.238 886 I C 2.021 178.291 176.117 0.255 0.000 1.076 886 I CA 0.992 62.421 61.300 0.215 0.000 1.353 886 I CB -1.411 36.718 38.000 0.216 0.000 1.063 886 I HN 0.418 nan 8.210 nan 0.000 0.408 887 G N -0.625 108.303 108.800 0.214 0.000 2.516 887 G HA2 0.418 4.377 3.960 -0.001 0.000 0.276 887 G HA3 0.418 4.377 3.960 -0.001 0.000 0.276 887 G C 0.150 175.172 174.900 0.202 0.000 1.390 887 G CA 0.394 45.634 45.100 0.232 0.000 1.050 887 G HN 0.645 nan 8.290 nan 0.000 0.519 888 G N -1.639 107.263 108.800 0.170 0.000 2.825 888 G HA2 0.223 4.182 3.960 -0.001 0.000 0.684 888 G HA3 0.223 4.182 3.960 -0.001 0.000 0.684 888 G C 0.340 175.307 174.900 0.111 0.000 1.528 888 G CA 0.313 45.495 45.100 0.138 0.000 0.963 888 G HN 1.956 nan 8.290 nan 0.000 0.577 889 S N 0.249 116.004 115.700 0.092 0.000 2.580 889 S HA 0.301 4.770 4.470 -0.001 0.000 0.266 889 S C 1.077 175.730 174.600 0.088 0.000 1.354 889 S CA 0.559 58.797 58.200 0.063 0.000 1.008 889 S CB 1.128 64.363 63.200 0.060 0.000 0.898 889 S HN 0.626 nan 8.310 nan 0.000 0.555 890 D N 1.356 121.776 120.400 0.033 0.000 2.144 890 D HA -0.047 4.592 4.640 -0.001 0.000 0.200 890 D C 2.246 178.638 176.300 0.154 0.000 0.978 890 D CA 1.537 55.558 54.000 0.035 0.000 0.833 890 D CB -0.844 39.938 40.800 -0.030 0.000 0.961 890 D HN 0.685 nan 8.370 nan 0.000 0.470 891 A N 1.577 124.466 122.820 0.115 0.000 1.865 891 A HA -0.136 4.183 4.320 -0.001 0.000 0.217 891 A C 2.383 180.063 177.584 0.160 0.000 1.191 891 A CA 2.563 54.675 52.037 0.125 0.000 0.623 891 A CB -0.802 18.246 19.000 0.079 0.000 0.826 891 A HN 0.261 nan 8.150 nan 0.000 0.444 892 A N -1.586 121.327 122.820 0.154 0.000 1.930 892 A HA 0.017 4.336 4.320 -0.001 0.000 0.217 892 A C 2.081 179.803 177.584 0.229 0.000 1.175 892 A CA 1.439 53.569 52.037 0.154 0.000 0.627 892 A CB -0.675 18.400 19.000 0.125 0.000 0.815 892 A HN 0.750 nan 8.150 nan 0.000 0.443 893 F N 0.843 120.867 119.950 0.124 0.000 2.134 893 F HA -0.153 4.373 4.527 -0.001 0.000 0.299 893 F C 2.151 178.106 175.800 0.257 0.000 1.097 893 F CA 2.091 60.196 58.000 0.175 0.000 1.264 893 F CB -0.176 38.866 39.000 0.070 0.000 1.001 893 F HN 0.412 nan 8.300 nan 0.000 0.479 894 E N 1.331 121.855 120.200 0.540 0.000 2.021 894 E HA -0.340 4.009 4.350 -0.001 0.000 0.200 894 E C 2.011 178.752 176.600 0.235 0.000 1.015 894 E CA 2.366 59.038 56.400 0.453 0.000 0.824 894 E CB -0.445 29.456 29.700 0.335 0.000 0.762 894 E HN 0.582 nan 8.360 nan 0.000 0.454 895 K N -0.322 120.168 120.400 0.150 0.000 2.585 895 K HA -0.088 4.231 4.320 -0.001 0.000 0.194 895 K C 2.031 178.631 176.600 0.001 0.000 1.037 895 K CA 0.715 57.031 56.287 0.048 0.000 0.964 895 K CB 0.151 32.662 32.500 0.018 0.000 0.787 895 K HN -0.007 nan 8.250 nan 0.000 0.488 896 R N -0.536 119.983 120.500 0.032 0.000 2.195 896 R HA 0.072 4.411 4.340 -0.001 0.000 0.197 896 R C 0.506 176.642 176.300 -0.273 0.000 0.990 896 R CA 0.814 56.861 56.100 -0.088 0.000 1.048 896 R CB 0.288 30.602 30.300 0.023 0.000 0.997 896 R HN 0.329 nan 8.270 nan 0.000 0.502 897 Y N -1.043 119.160 120.300 -0.163 0.000 2.423 897 Y HA 0.286 4.836 4.550 -0.001 0.000 0.257 897 Y C 0.351 176.287 175.900 0.060 0.000 1.087 897 Y CA -0.557 57.489 58.100 -0.091 0.000 1.258 897 Y CB 0.399 38.701 38.460 -0.264 0.000 1.237 897 Y HN -0.241 nan 8.280 nan 0.000 0.517 898 R N 1.692 122.268 120.500 0.126 0.000 2.370 898 R HA 0.377 4.716 4.340 -0.001 0.000 0.309 898 R C -1.350 174.889 176.300 -0.102 0.000 1.059 898 R CA 0.022 56.002 56.100 -0.201 0.000 0.981 898 R CB -0.003 30.150 30.300 -0.245 0.000 0.972 898 R HN -0.080 nan 8.270 nan 0.000 0.437 899 V N 5.059 124.901 119.914 -0.121 0.000 2.443 899 V HA 0.275 4.394 4.120 -0.001 0.000 0.293 899 V C -0.931 175.120 176.094 -0.072 0.000 1.021 899 V CA -0.721 61.544 62.300 -0.060 0.000 0.848 899 V CB 1.742 33.546 31.823 -0.032 0.000 0.998 899 V HN 0.706 nan 8.190 nan 0.000 0.424 900 D N 4.126 124.505 120.400 -0.035 0.000 2.420 900 D HA 0.402 5.041 4.640 -0.001 0.000 0.255 900 D C 0.726 177.014 176.300 -0.019 0.000 1.185 900 D CA -0.331 53.640 54.000 -0.049 0.000 0.904 900 D CB 1.587 42.334 40.800 -0.088 0.000 1.102 900 D HN 0.358 nan 8.370 nan 0.000 0.534 901 L N 2.407 123.616 121.223 -0.024 0.000 2.217 901 L HA -0.009 4.331 4.340 -0.001 0.000 0.211 901 L C 2.032 178.892 176.870 -0.017 0.000 1.107 901 L CA 0.703 55.533 54.840 -0.017 0.000 0.783 901 L CB -0.137 41.911 42.059 -0.018 0.000 0.919 901 L HN 0.364 nan 8.230 nan 0.000 0.442 902 L N -0.692 120.515 121.223 -0.026 0.000 2.478 902 L HA 0.006 4.345 4.340 -0.001 0.000 0.223 902 L C 0.821 177.673 176.870 -0.031 0.000 1.140 902 L CA 0.175 54.999 54.840 -0.027 0.000 0.842 902 L CB -0.461 41.579 42.059 -0.032 0.000 0.953 902 L HN 0.226 nan 8.230 nan 0.000 0.452 903 N N -0.199 118.480 118.700 -0.035 0.000 2.425 903 N HA 0.021 4.760 4.740 -0.001 0.000 0.268 903 N C 0.956 176.478 175.510 0.021 0.000 0.991 903 N CA 0.068 53.102 53.050 -0.027 0.000 0.931 903 N CB 1.604 40.033 38.487 -0.096 0.000 1.130 903 N HN -0.138 nan 8.380 nan 0.000 0.493 904 T N 1.758 116.325 114.554 0.021 0.000 2.897 904 T HA -0.111 4.239 4.350 -0.001 0.000 0.271 904 T C 0.377 175.106 174.700 0.049 0.000 1.084 904 T CA 1.605 63.720 62.100 0.025 0.000 1.123 904 T CB 0.061 68.937 68.868 0.013 0.000 0.865 904 T HN 0.481 nan 8.240 nan 0.000 0.496 905 D N -0.687 119.779 120.400 0.111 0.000 2.327 905 D HA 0.111 4.750 4.640 -0.001 0.000 0.205 905 D C 0.737 177.113 176.300 0.126 0.000 0.989 905 D CA 0.620 54.702 54.000 0.137 0.000 0.873 905 D CB 0.050 40.971 40.800 0.201 0.000 0.955 905 D HN 0.493 nan 8.370 nan 0.000 0.515 906 H N -0.896 118.149 119.070 -0.041 0.000 2.469 906 H HA 0.257 4.812 4.556 -0.001 0.000 0.286 906 H C 0.200 175.492 175.328 -0.059 0.000 1.106 906 H CA -0.407 55.608 56.048 -0.054 0.000 1.055 906 H CB -0.248 29.474 29.762 -0.067 0.000 1.618 906 H HN -0.043 nan 8.280 nan 0.000 0.559 907 T N -1.427 113.153 114.554 0.044 0.000 2.824 907 T HA 0.371 4.721 4.350 -0.001 0.000 0.277 907 T C 0.382 175.067 174.700 -0.024 0.000 0.975 907 T CA -0.952 61.150 62.100 0.002 0.000 0.966 907 T CB 1.143 70.008 68.868 -0.004 0.000 1.054 907 T HN 0.034 nan 8.240 nan 0.000 0.533 908 L N 1.874 123.077 121.223 -0.033 0.000 2.363 908 L HA 0.284 4.623 4.340 -0.001 0.000 0.286 908 L C 0.519 177.366 176.870 -0.039 0.000 1.106 908 L CA -0.465 54.348 54.840 -0.045 0.000 0.859 908 L CB -0.687 41.342 42.059 -0.050 0.000 1.223 908 L HN 0.690 nan 8.230 nan 0.000 0.446 909 D N 6.261 126.636 120.400 -0.041 0.000 2.923 909 D HA -0.098 4.541 4.640 -0.001 0.000 0.220 909 D C -1.220 175.060 176.300 -0.032 0.000 1.099 909 D CA -0.591 53.388 54.000 -0.034 0.000 0.807 909 D CB 0.920 41.698 40.800 -0.037 0.000 1.155 909 D HN 0.330 nan 8.370 nan 0.000 0.524 910 P HA -0.150 nan 4.420 nan 0.000 0.234 910 P C 0.865 178.150 177.300 -0.025 0.000 1.162 910 P CA 0.676 63.760 63.100 -0.025 0.000 0.759 910 P CB -0.085 31.603 31.700 -0.020 0.000 0.813 911 S N -0.628 115.057 115.700 -0.025 0.000 2.406 911 S HA -0.078 4.391 4.470 -0.001 0.000 0.228 911 S C 1.914 176.497 174.600 -0.028 0.000 1.020 911 S CA 0.611 58.797 58.200 -0.023 0.000 0.965 911 S CB -1.338 61.851 63.200 -0.019 0.000 0.798 911 S HN 0.110 nan 8.310 nan 0.000 0.488 912 L N 0.115 121.317 121.223 -0.036 0.000 2.013 912 L HA 0.270 4.610 4.340 -0.001 0.000 0.204 912 L C 1.287 178.128 176.870 -0.048 0.000 1.081 912 L CA 0.276 55.089 54.840 -0.045 0.000 0.751 912 L CB -0.781 41.246 42.059 -0.053 0.000 0.901 912 L HN 0.307 nan 8.230 nan 0.000 0.440 913 L N 0.226 121.420 121.223 -0.048 0.000 2.421 913 L HA 0.104 4.443 4.340 -0.001 0.000 0.263 913 L C 1.072 177.917 176.870 -0.040 0.000 1.122 913 L CA 0.351 55.161 54.840 -0.050 0.000 0.804 913 L CB 0.913 42.940 42.059 -0.054 0.000 1.150 913 L HN 0.116 nan 8.230 nan 0.000 0.457 914 E N -0.129 120.048 120.200 -0.040 0.000 2.216 914 E HA -0.118 4.231 4.350 -0.001 0.000 0.192 914 E C 1.665 178.248 176.600 -0.028 0.000 0.988 914 E CA 1.225 57.606 56.400 -0.031 0.000 0.834 914 E CB 0.290 29.972 29.700 -0.030 0.000 0.772 914 E HN 0.893 nan 8.360 nan 0.000 0.479 915 S N -0.949 114.731 115.700 -0.033 0.000 2.458 915 S HA 0.071 4.540 4.470 -0.001 0.000 0.223 915 S C 2.175 176.758 174.600 -0.027 0.000 1.019 915 S CA 0.376 58.558 58.200 -0.029 0.000 0.937 915 S CB -0.399 62.782 63.200 -0.031 0.000 0.788 915 S HN 0.365 nan 8.310 nan 0.000 0.511 916 G N 2.985 111.767 108.800 -0.031 0.000 2.985 916 G HA2 -0.494 3.465 3.960 -0.001 0.000 0.304 916 G HA3 -0.494 3.465 3.960 -0.001 0.000 0.304 916 G C 1.714 176.600 174.900 -0.023 0.000 1.164 916 G CA 2.748 47.831 45.100 -0.029 0.000 0.988 916 G HN 1.033 nan 8.290 nan 0.000 0.737 917 S N -0.074 115.614 115.700 -0.020 0.000 2.402 917 S HA 0.003 4.473 4.470 -0.001 0.000 0.229 917 S C 2.015 176.605 174.600 -0.015 0.000 1.021 917 S CA 1.712 59.902 58.200 -0.016 0.000 0.974 917 S CB -0.160 63.031 63.200 -0.014 0.000 0.800 917 S HN 0.648 nan 8.310 nan 0.000 0.484 918 E N 0.438 120.628 120.200 -0.016 0.000 2.482 918 E HA 0.026 4.375 4.350 -0.001 0.000 0.196 918 E C 1.486 178.076 176.600 -0.017 0.000 1.047 918 E CA 0.406 56.797 56.400 -0.015 0.000 0.869 918 E CB 0.016 29.707 29.700 -0.016 0.000 0.836 918 E HN 0.585 nan 8.360 nan 0.000 0.520 919 I N 0.795 121.354 120.570 -0.019 0.000 2.494 919 I HA -0.024 4.145 4.170 -0.001 0.000 0.250 919 I C 1.502 177.609 176.117 -0.017 0.000 1.112 919 I CA 0.205 61.493 61.300 -0.020 0.000 1.438 919 I CB -0.523 37.462 38.000 -0.024 0.000 1.111 919 I HN 0.136 nan 8.210 nan 0.000 0.431 920 L N 1.858 123.072 121.223 -0.016 0.000 2.628 920 L HA 0.066 4.405 4.340 -0.001 0.000 0.292 920 L C 1.100 177.963 176.870 -0.012 0.000 1.250 920 L CA 1.150 55.982 54.840 -0.013 0.000 0.892 920 L CB -0.228 41.825 42.059 -0.011 0.000 1.138 920 L HN 0.574 nan 8.230 nan 0.000 0.502 921 G N 3.692 112.485 108.800 -0.013 0.000 2.542 921 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.235 921 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.235 921 G C -0.424 174.468 174.900 -0.014 0.000 1.286 921 G CA -0.028 45.064 45.100 -0.013 0.000 0.904 921 G HN 1.210 nan 8.290 nan 0.000 0.577 922 D N -1.562 118.830 120.400 -0.013 0.000 5.791 922 D HA -0.103 4.536 4.640 -0.001 0.000 0.232 922 D C 1.155 177.448 176.300 -0.012 0.000 1.696 922 D CA 1.079 55.072 54.000 -0.012 0.000 1.436 922 D CB -1.121 39.671 40.800 -0.013 0.000 0.597 922 D HN 0.967 nan 8.370 nan 0.000 0.322 923 L N 4.446 125.663 121.223 -0.010 0.000 2.084 923 L HA 0.037 4.376 4.340 -0.001 0.000 0.202 923 L C 2.676 179.542 176.870 -0.007 0.000 1.074 923 L CA 0.442 55.277 54.840 -0.009 0.000 0.757 923 L CB -0.437 41.617 42.059 -0.007 0.000 0.918 923 L HN 0.287 nan 8.230 nan 0.000 0.444 924 K N 0.637 121.033 120.400 -0.007 0.000 2.127 924 K HA -0.191 4.128 4.320 -0.001 0.000 0.208 924 K C 2.070 178.667 176.600 -0.005 0.000 1.047 924 K CA 1.490 57.773 56.287 -0.006 0.000 0.927 924 K CB -0.337 32.159 32.500 -0.006 0.000 0.716 924 K HN 0.267 nan 8.250 nan 0.000 0.450 925 L N 0.256 121.475 121.223 -0.008 0.000 2.127 925 L HA -0.088 4.251 4.340 -0.001 0.000 0.203 925 L C 2.560 179.427 176.870 -0.005 0.000 1.080 925 L CA 0.513 55.348 54.840 -0.008 0.000 0.768 925 L CB -0.251 41.800 42.059 -0.013 0.000 0.924 925 L HN 0.118 nan 8.230 nan 0.000 0.444 926 Q N -0.154 119.642 119.800 -0.007 0.000 2.234 926 Q HA -0.182 4.157 4.340 -0.001 0.000 0.206 926 Q C 2.239 178.241 176.000 0.003 0.000 0.980 926 Q CA 1.240 57.040 55.803 -0.006 0.000 0.869 926 Q CB -0.302 28.429 28.738 -0.012 0.000 0.912 926 Q HN 0.330 nan 8.270 nan 0.000 0.436 927 V N 0.160 120.077 119.914 0.004 0.000 2.809 927 V HA -0.152 3.968 4.120 -0.001 0.000 0.256 927 V C 2.027 178.132 176.094 0.018 0.000 1.080 927 V CA 0.846 63.152 62.300 0.011 0.000 1.102 927 V CB -0.105 31.722 31.823 0.006 0.000 0.705 927 V HN 0.275 nan 8.190 nan 0.000 0.475 928 L N -1.375 119.857 121.223 0.015 0.000 2.168 928 L HA 0.012 4.351 4.340 -0.001 0.000 0.203 928 L C 2.191 179.081 176.870 0.034 0.000 1.078 928 L CA 1.087 55.938 54.840 0.020 0.000 0.780 928 L CB -0.178 41.887 42.059 0.010 0.000 0.939 928 L HN 0.268 nan 8.230 nan 0.000 0.451 929 L N -0.529 120.712 121.223 0.031 0.000 2.275 929 L HA -0.179 4.160 4.340 -0.001 0.000 0.215 929 L C 1.938 178.859 176.870 0.084 0.000 1.119 929 L CA 0.649 55.519 54.840 0.049 0.000 0.790 929 L CB -0.385 41.686 42.059 0.021 0.000 0.919 929 L HN 0.243 nan 8.230 nan 0.000 0.443 930 D N 0.249 120.689 120.400 0.066 0.000 2.084 930 D HA -0.177 4.462 4.640 -0.001 0.000 0.199 930 D C 1.989 178.363 176.300 0.124 0.000 0.981 930 D CA 1.488 55.544 54.000 0.094 0.000 0.841 930 D CB -0.043 40.789 40.800 0.054 0.000 0.997 930 D HN 0.387 nan 8.370 nan 0.000 0.454 931 E N 1.113 121.360 120.200 0.078 0.000 2.409 931 E HA -0.143 4.206 4.350 -0.001 0.000 0.198 931 E C 1.646 178.288 176.600 0.070 0.000 1.024 931 E CA 0.903 57.342 56.400 0.064 0.000 0.861 931 E CB -0.383 29.338 29.700 0.036 0.000 0.788 931 E HN 0.380 nan 8.360 nan 0.000 0.521 932 E N -0.179 120.076 120.200 0.092 0.000 2.072 932 E HA -0.209 4.140 4.350 -0.001 0.000 0.190 932 E C 1.344 178.030 176.600 0.143 0.000 0.982 932 E CA 0.905 57.365 56.400 0.099 0.000 0.803 932 E CB -0.248 29.514 29.700 0.103 0.000 0.755 932 E HN 0.512 nan 8.360 nan 0.000 0.453 933 Y N 1.293 121.629 120.300 0.060 0.000 2.516 933 Y HA -0.002 4.547 4.550 -0.001 0.000 0.291 933 Y C 2.177 178.130 175.900 0.089 0.000 1.131 933 Y CA 1.168 59.321 58.100 0.089 0.000 1.281 933 Y CB 0.185 38.701 38.460 0.093 0.000 1.013 933 Y HN -0.083 nan 8.280 nan 0.000 0.554 934 K N -0.341 120.120 120.400 0.102 0.000 2.044 934 K HA -0.186 4.133 4.320 -0.001 0.000 0.204 934 K C 2.146 178.723 176.600 -0.037 0.000 1.049 934 K CA 1.095 57.390 56.287 0.014 0.000 0.945 934 K CB -0.106 32.420 32.500 0.044 0.000 0.724 934 K HN 0.138 nan 8.250 nan 0.000 0.440 935 Q N 1.321 121.114 119.800 -0.012 0.000 2.217 935 Q HA -0.135 4.205 4.340 -0.001 0.000 0.209 935 Q C 1.642 177.614 176.000 -0.047 0.000 0.988 935 Q CA 1.590 57.376 55.803 -0.027 0.000 0.878 935 Q CB -0.248 28.485 28.738 -0.009 0.000 0.909 935 Q HN 0.439 nan 8.270 nan 0.000 0.424 936 L N -0.581 120.604 121.223 -0.064 0.000 2.558 936 L HA 0.010 4.350 4.340 -0.001 0.000 0.225 936 L C 1.995 178.813 176.870 -0.086 0.000 1.128 936 L CA 0.464 55.260 54.840 -0.075 0.000 0.868 936 L CB -0.220 41.779 42.059 -0.101 0.000 1.006 936 L HN 0.147 nan 8.230 nan 0.000 0.454 937 V N -3.675 116.139 119.914 -0.167 0.000 2.426 937 V HA -0.040 4.080 4.120 -0.001 0.000 0.242 937 V C 2.353 178.373 176.094 -0.123 0.000 1.036 937 V CA 0.473 62.647 62.300 -0.210 0.000 1.044 937 V CB -0.566 31.113 31.823 -0.241 0.000 0.688 937 V HN 0.211 nan 8.190 nan 0.000 0.462 938 K N 0.733 121.086 120.400 -0.078 0.000 2.189 938 K HA -0.259 4.060 4.320 -0.001 0.000 0.207 938 K C 1.785 178.388 176.600 0.004 0.000 1.046 938 K CA 2.188 58.454 56.287 -0.036 0.000 0.928 938 K CB -0.598 31.875 32.500 -0.044 0.000 0.720 938 K HN 0.569 nan 8.250 nan 0.000 0.458 939 D N 0.147 120.539 120.400 -0.013 0.000 2.085 939 D HA -0.098 4.541 4.640 -0.001 0.000 0.199 939 D C 2.012 178.359 176.300 0.079 0.000 0.981 939 D CA 0.956 54.981 54.000 0.041 0.000 0.834 939 D CB -0.182 40.624 40.800 0.011 0.000 0.992 939 D HN 0.151 nan 8.370 nan 0.000 0.457 940 R N 0.915 121.405 120.500 -0.016 0.000 2.096 940 R HA -0.166 4.173 4.340 -0.001 0.000 0.235 940 R C 2.072 178.342 176.300 -0.049 0.000 1.127 940 R CA 1.632 57.700 56.100 -0.054 0.000 0.968 940 R CB -0.007 30.139 30.300 -0.258 0.000 0.861 940 R HN 0.122 nan 8.270 nan 0.000 0.440 941 K N -0.207 120.156 120.400 -0.062 0.000 1.991 941 K HA -0.233 4.086 4.320 -0.001 0.000 0.212 941 K C 1.908 178.506 176.600 -0.003 0.000 1.049 941 K CA 1.986 58.248 56.287 -0.042 0.000 0.932 941 K CB -0.646 31.834 32.500 -0.033 0.000 0.717 941 K HN 0.226 nan 8.250 nan 0.000 0.441 942 F N 1.662 121.564 119.950 -0.081 0.000 2.134 942 F HA -0.084 4.442 4.527 -0.001 0.000 0.299 942 F C 1.668 177.406 175.800 -0.103 0.000 1.097 942 F CA 1.327 59.273 58.000 -0.089 0.000 1.264 942 F CB -0.038 38.910 39.000 -0.087 0.000 1.001 942 F HN 0.007 nan 8.300 nan 0.000 0.479 943 L N 0.052 121.265 121.223 -0.016 0.000 2.027 943 L HA -0.157 4.182 4.340 -0.001 0.000 0.206 943 L C 2.623 179.412 176.870 -0.135 0.000 1.074 943 L CA 1.325 56.098 54.840 -0.112 0.000 0.745 943 L CB -0.810 41.351 42.059 0.169 0.000 0.898 943 L HN 0.001 nan 8.230 nan 0.000 0.433 944 R N 0.423 120.912 120.500 -0.018 0.000 2.200 944 R HA -0.196 4.143 4.340 -0.001 0.000 0.234 944 R C 1.974 178.250 176.300 -0.039 0.000 1.127 944 R CA 1.591 57.726 56.100 0.058 0.000 0.989 944 R CB -0.151 30.190 30.300 0.069 0.000 0.869 944 R HN 0.622 nan 8.270 nan 0.000 0.459 945 E N -0.584 119.503 120.200 -0.189 0.000 2.415 945 E HA 0.004 4.353 4.350 -0.001 0.000 0.197 945 E C 1.481 177.858 176.600 -0.371 0.000 1.007 945 E CA 0.179 56.439 56.400 -0.234 0.000 0.890 945 E CB 0.223 29.792 29.700 -0.218 0.000 0.891 945 E HN -0.006 nan 8.360 nan 0.000 0.496 946 V N 0.820 120.387 119.914 -0.578 0.000 2.284 946 V HA -0.016 4.104 4.120 -0.001 0.000 0.236 946 V C 0.730 176.494 176.094 -0.551 0.000 1.044 946 V CA 0.994 62.843 62.300 -0.752 0.000 1.019 946 V CB -0.264 30.834 31.823 -1.208 0.000 0.657 946 V HN 0.226 nan 8.190 nan 0.000 0.465 947 F N 1.320 121.132 119.950 -0.230 0.000 2.619 947 F HA 0.203 4.729 4.527 -0.001 0.000 0.350 947 F C 1.159 176.941 175.800 -0.030 0.000 1.259 947 F CA -0.485 57.448 58.000 -0.111 0.000 1.204 947 F CB 0.165 39.167 39.000 0.003 0.000 1.556 947 F HN 0.044 nan 8.300 nan 0.000 0.650 948 V N -1.706 118.264 119.914 0.092 0.000 3.444 948 V HA -0.162 3.957 4.120 -0.001 0.000 0.271 948 V C 1.186 177.341 176.094 0.101 0.000 1.188 948 V CA 1.133 63.479 62.300 0.077 0.000 1.168 948 V CB -0.763 31.069 31.823 0.015 0.000 0.810 948 V HN 0.639 nan 8.190 nan 0.000 0.500 949 D N -0.125 120.303 120.400 0.047 0.000 2.369 949 D HA 0.247 4.886 4.640 -0.001 0.000 0.211 949 D C 1.731 177.805 176.300 -0.377 0.000 1.077 949 D CA 0.768 54.733 54.000 -0.058 0.000 0.842 949 D CB 0.600 41.400 40.800 -0.000 0.000 0.947 949 D HN 0.620 nan 8.370 nan 0.000 0.509 950 G N 1.064 109.510 108.800 -0.589 0.000 2.284 950 G HA2 -0.352 3.607 3.960 -0.001 0.000 0.247 950 G HA3 -0.352 3.607 3.960 -0.001 0.000 0.247 950 G C 0.291 174.980 174.900 -0.351 0.000 1.012 950 G CA 0.275 44.759 45.100 -1.028 0.000 0.618 950 G HN 0.483 nan 8.290 nan 0.000 0.521 951 E N 1.439 121.519 120.200 -0.201 0.000 2.924 951 E HA 0.370 4.719 4.350 -0.001 0.000 0.236 951 E C 1.218 177.728 176.600 -0.150 0.000 1.028 951 E CA 1.081 57.352 56.400 -0.214 0.000 0.952 951 E CB 0.030 29.582 29.700 -0.248 0.000 0.918 951 E HN 0.979 nan 8.360 nan 0.000 0.536 952 A N 5.081 127.768 122.820 -0.221 0.000 2.348 952 A HA 0.107 4.426 4.320 -0.001 0.000 0.224 952 A C 0.095 177.558 177.584 -0.202 0.000 1.227 952 A CA -0.326 51.664 52.037 -0.078 0.000 0.885 952 A CB 0.154 19.151 19.000 -0.005 0.000 0.933 952 A HN 0.470 nan 8.150 nan 0.000 0.506 953 N N 0.453 118.820 118.700 -0.555 0.000 2.589 953 N HA 0.345 5.085 4.740 -0.001 0.000 0.232 953 N C -1.739 173.277 175.510 -0.824 0.000 1.015 953 N CA 0.107 52.851 53.050 -0.511 0.000 0.931 953 N CB 0.332 38.584 38.487 -0.392 0.000 1.150 953 N HN 0.448 nan 8.380 nan 0.000 0.512 954 W N 1.890 123.078 121.300 -0.187 0.000 2.736 954 W HA 0.403 5.062 4.660 -0.001 0.000 0.335 954 W C -2.169 174.332 176.519 -0.031 0.000 1.059 954 W CA -2.092 55.148 57.345 -0.175 0.000 1.226 954 W CB 1.243 30.514 29.460 -0.316 0.000 1.416 954 W HN 0.286 nan 8.180 nan 0.000 0.505 955 P HA 0.095 nan 4.420 nan 0.000 0.261 955 P C -0.722 176.727 177.300 0.250 0.000 1.183 955 P CA 0.728 63.978 63.100 0.250 0.000 0.761 955 P CB 0.370 32.263 31.700 0.321 0.000 0.785 956 L N 5.198 126.544 121.223 0.206 0.000 2.582 956 L HA 0.499 4.839 4.340 -0.001 0.000 0.257 956 L C -2.669 174.274 176.870 0.122 0.000 0.974 956 L CA -2.309 52.648 54.840 0.194 0.000 0.851 956 L CB 3.185 45.411 42.059 0.278 0.000 1.424 956 L HN 0.156 nan 8.230 nan 0.000 0.412 957 P HA 0.366 nan 4.420 nan 0.000 0.286 957 P C -0.951 176.288 177.300 -0.101 0.000 1.261 957 P CA -0.218 62.815 63.100 -0.111 0.000 0.821 957 P CB 1.350 32.855 31.700 -0.325 0.000 1.013 958 V N 0.295 120.209 119.914 0.000 0.000 5.534 958 V HA -0.208 3.911 4.120 -0.001 0.000 0.325 958 V C 0.470 176.665 176.094 0.169 0.000 0.622 958 V CA -0.185 62.174 62.300 0.098 0.000 1.198 958 V CB -2.369 29.561 31.823 0.178 0.000 1.407 958 V HN 0.891 nan 8.190 nan 0.000 0.477 959 N N 2.384 121.144 118.700 0.099 0.000 2.394 959 N HA 0.076 4.815 4.740 -0.001 0.000 0.277 959 N C 0.829 176.394 175.510 0.092 0.000 1.346 959 N CA 0.655 53.757 53.050 0.086 0.000 0.910 959 N CB 0.566 39.064 38.487 0.017 0.000 1.201 959 N HN 0.674 nan 8.380 nan 0.000 0.488 960 I N 3.638 124.279 120.570 0.119 0.000 2.353 960 I HA -0.161 4.009 4.170 -0.001 0.000 0.248 960 I C 2.465 178.596 176.117 0.024 0.000 1.119 960 I CA 0.672 62.013 61.300 0.069 0.000 1.417 960 I CB -0.168 37.872 38.000 0.067 0.000 1.078 960 I HN 0.558 nan 8.210 nan 0.000 0.421 961 R N 0.708 121.234 120.500 0.043 0.000 2.096 961 R HA -0.206 4.134 4.340 -0.001 0.000 0.240 961 R C 2.439 178.758 176.300 0.031 0.000 1.139 961 R CA 1.697 57.816 56.100 0.032 0.000 0.952 961 R CB -0.161 30.176 30.300 0.062 0.000 0.854 961 R HN 0.225 nan 8.270 nan 0.000 0.436 962 R N 0.018 120.547 120.500 0.048 0.000 2.096 962 R HA -0.093 4.246 4.340 -0.001 0.000 0.235 962 R C 2.268 178.627 176.300 0.099 0.000 1.127 962 R CA 1.696 57.842 56.100 0.076 0.000 0.968 962 R CB -0.265 30.069 30.300 0.056 0.000 0.861 962 R HN 0.363 nan 8.270 nan 0.000 0.440 963 I N 0.124 120.727 120.570 0.055 0.000 2.315 963 I HA -0.251 3.918 4.170 -0.001 0.000 0.248 963 I C 1.954 178.136 176.117 0.109 0.000 1.117 963 I CA 0.915 62.247 61.300 0.053 0.000 1.404 963 I CB -0.314 37.643 38.000 -0.072 0.000 1.071 963 I HN 0.069 nan 8.210 nan 0.000 0.419 964 I N 1.224 121.789 120.570 -0.008 0.000 2.142 964 I HA -0.300 3.869 4.170 -0.001 0.000 0.240 964 I C 2.729 178.861 176.117 0.024 0.000 1.078 964 I CA 1.740 62.983 61.300 -0.095 0.000 1.343 964 I CB -0.653 37.093 38.000 -0.424 0.000 1.046 964 I HN 0.253 nan 8.210 nan 0.000 0.405 965 Q N -0.367 119.459 119.800 0.044 0.000 2.050 965 Q HA -0.227 4.113 4.340 -0.001 0.000 0.202 965 Q C 1.974 178.033 176.000 0.099 0.000 0.980 965 Q CA 1.718 57.539 55.803 0.030 0.000 0.840 965 Q CB -0.497 28.244 28.738 0.004 0.000 0.898 965 Q HN 0.426 nan 8.270 nan 0.000 0.424 966 N N 0.460 119.312 118.700 0.254 0.000 2.258 966 N HA -0.156 4.583 4.740 -0.001 0.000 0.187 966 N C 1.388 177.078 175.510 0.299 0.000 1.012 966 N CA 1.399 54.654 53.050 0.341 0.000 0.870 966 N CB -0.209 38.545 38.487 0.446 0.000 0.977 966 N HN 0.367 nan 8.380 nan 0.000 0.434 967 A N 0.694 123.752 122.820 0.396 0.000 1.878 967 A HA -0.078 4.241 4.320 -0.001 0.000 0.213 967 A C 1.740 179.465 177.584 0.234 0.000 1.192 967 A CA 0.826 53.098 52.037 0.391 0.000 0.619 967 A CB -0.443 18.863 19.000 0.509 0.000 0.837 967 A HN 0.492 nan 8.150 nan 0.000 0.446 968 Q N -1.239 118.648 119.800 0.145 0.000 2.387 968 Q HA 0.093 4.433 4.340 -0.001 0.000 0.211 968 Q C 1.243 177.239 176.000 -0.007 0.000 0.952 968 Q CA 0.555 56.417 55.803 0.099 0.000 0.957 968 Q CB 0.187 29.000 28.738 0.125 0.000 1.002 968 Q HN 0.614 nan 8.270 nan 0.000 0.502 969 Q N 0.031 119.801 119.800 -0.049 0.000 2.586 969 Q HA 0.058 4.398 4.340 -0.001 0.000 0.243 969 Q C 1.554 177.435 176.000 -0.198 0.000 0.846 969 Q CA 1.176 56.873 55.803 -0.178 0.000 0.959 969 Q CB 0.464 29.139 28.738 -0.106 0.000 1.227 969 Q HN 0.389 nan 8.270 nan 0.000 0.611 970 T N 0.841 115.291 114.554 -0.173 0.000 2.684 970 T HA -0.090 4.259 4.350 -0.001 0.000 0.267 970 T C 1.241 175.706 174.700 -0.391 0.000 1.036 970 T CA 1.428 63.296 62.100 -0.385 0.000 1.148 970 T CB -0.266 68.108 68.868 -0.824 0.000 0.863 970 T HN 0.153 nan 8.240 nan 0.000 0.436 971 F N -0.225 119.661 119.950 -0.107 0.000 2.727 971 F HA 0.255 4.782 4.527 -0.001 0.000 0.302 971 F C 0.695 176.548 175.800 0.089 0.000 1.097 971 F CA -0.301 57.679 58.000 -0.033 0.000 1.330 971 F CB -0.165 38.788 39.000 -0.078 0.000 1.084 971 F HN 0.208 nan 8.300 nan 0.000 0.578 972 H N 0.784 119.905 119.070 0.084 0.000 2.740 972 H HA -0.179 4.376 4.556 -0.001 0.000 0.327 972 H C -0.317 175.061 175.328 0.083 0.000 1.077 972 H CA 0.045 56.131 56.048 0.063 0.000 1.088 972 H CB -0.980 28.797 29.762 0.025 0.000 1.619 972 H HN 0.129 nan 8.280 nan 0.000 0.386 973 I N 3.325 123.978 120.570 0.137 0.000 2.315 973 I HA 0.107 4.277 4.170 -0.001 0.000 0.291 973 I C 0.326 176.504 176.117 0.102 0.000 1.006 973 I CA -0.760 60.593 61.300 0.089 0.000 1.265 973 I CB 0.867 38.876 38.000 0.015 0.000 1.387 973 I HN 0.358 nan 8.210 nan 0.000 0.475 974 D N 5.639 126.088 120.400 0.082 0.000 2.351 974 D HA 0.066 4.705 4.640 -0.001 0.000 0.251 974 D C 0.040 176.375 176.300 0.060 0.000 1.137 974 D CA 0.234 54.300 54.000 0.110 0.000 0.879 974 D CB 0.416 41.266 40.800 0.084 0.000 1.181 974 D HN 0.558 nan 8.370 nan 0.000 0.448 975 H N 2.228 121.314 119.070 0.027 0.000 2.708 975 H HA 0.097 4.653 4.556 -0.001 0.000 0.309 975 H C 0.411 175.745 175.328 0.011 0.000 1.084 975 H CA 0.358 56.418 56.048 0.020 0.000 1.165 975 H CB 0.121 29.894 29.762 0.019 0.000 1.388 975 H HN 0.654 nan 8.280 nan 0.000 0.553 976 T N -2.958 111.640 114.554 0.073 0.000 3.177 976 T HA 0.062 4.412 4.350 -0.001 0.000 0.262 976 T C 0.780 175.487 174.700 0.011 0.000 0.959 976 T CA -0.406 61.717 62.100 0.039 0.000 0.996 976 T CB 0.711 69.601 68.868 0.038 0.000 1.185 976 T HN -0.098 nan 8.240 nan 0.000 0.486 977 K N 3.605 124.010 120.400 0.008 0.000 2.416 977 K HA 0.388 4.707 4.320 -0.001 0.000 0.283 977 K C -2.767 173.820 176.600 -0.022 0.000 1.037 977 K CA -1.860 54.424 56.287 -0.004 0.000 0.995 977 K CB 0.160 32.661 32.500 0.003 0.000 0.938 977 K HN 0.207 nan 8.250 nan 0.000 0.475 978 P HA -0.019 nan 4.420 nan 0.000 0.268 978 P C -0.322 176.956 177.300 -0.038 0.000 1.204 978 P CA -0.151 62.930 63.100 -0.032 0.000 0.768 978 P CB 1.055 32.739 31.700 -0.026 0.000 0.842 979 S N 1.855 117.526 115.700 -0.050 0.000 2.598 979 S HA 0.033 4.503 4.470 -0.001 0.000 0.256 979 S C 0.451 175.020 174.600 -0.050 0.000 1.350 979 S CA 0.042 58.209 58.200 -0.054 0.000 0.984 979 S CB -0.014 63.147 63.200 -0.066 0.000 0.930 979 S HN 0.633 nan 8.310 nan 0.000 0.577 980 D N 1.247 121.614 120.400 -0.055 0.000 2.895 980 D HA 0.242 4.881 4.640 -0.001 0.000 0.350 980 D C -0.961 175.299 176.300 -0.068 0.000 1.389 980 D CA -0.321 53.648 54.000 -0.051 0.000 0.812 980 D CB -0.472 40.308 40.800 -0.034 0.000 1.164 980 D HN 0.265 nan 8.370 nan 0.000 0.455 981 L N -0.075 121.089 121.223 -0.098 0.000 2.365 981 L HA 0.498 4.837 4.340 -0.001 0.000 0.273 981 L C 0.539 177.338 176.870 -0.120 0.000 1.000 981 L CA -0.806 53.955 54.840 -0.132 0.000 0.819 981 L CB 1.497 43.414 42.059 -0.236 0.000 1.284 981 L HN -0.218 nan 8.230 nan 0.000 0.418 982 T N 0.848 115.341 114.554 -0.102 0.000 2.856 982 T HA 0.217 4.567 4.350 -0.001 0.000 0.306 982 T C 1.715 176.355 174.700 -0.101 0.000 1.062 982 T CA -0.545 61.506 62.100 -0.082 0.000 1.083 982 T CB 0.878 69.712 68.868 -0.058 0.000 0.984 982 T HN 0.381 nan 8.240 nan 0.000 0.542 983 I N 0.922 121.446 120.570 -0.076 0.000 2.194 983 I HA -0.171 3.998 4.170 -0.001 0.000 0.246 983 I C 2.422 178.500 176.117 -0.066 0.000 1.093 983 I CA 1.661 62.919 61.300 -0.070 0.000 1.355 983 I CB -1.097 36.876 38.000 -0.044 0.000 1.046 983 I HN 0.761 nan 8.210 nan 0.000 0.413 984 K N 0.782 121.151 120.400 -0.051 0.000 2.152 984 K HA -0.236 4.083 4.320 -0.001 0.000 0.206 984 K C 1.563 178.132 176.600 -0.052 0.000 1.048 984 K CA 1.848 58.111 56.287 -0.039 0.000 0.933 984 K CB -0.012 32.472 32.500 -0.026 0.000 0.721 984 K HN 0.281 nan 8.250 nan 0.000 0.447 985 D N 0.179 120.524 120.400 -0.091 0.000 2.097 985 D HA -0.109 4.530 4.640 -0.001 0.000 0.197 985 D C 1.691 177.881 176.300 -0.183 0.000 0.984 985 D CA 1.266 55.192 54.000 -0.123 0.000 0.826 985 D CB 0.115 40.807 40.800 -0.180 0.000 0.973 985 D HN 0.175 nan 8.370 nan 0.000 0.460 986 I N -0.118 120.289 120.570 -0.271 0.000 2.146 986 I HA -0.215 3.954 4.170 -0.001 0.000 0.231 986 I C 2.305 178.404 176.117 -0.030 0.000 1.063 986 I CA 0.497 61.621 61.300 -0.294 0.000 1.340 986 I CB -0.489 37.345 38.000 -0.276 0.000 1.100 986 I HN -0.098 nan 8.210 nan 0.000 0.403 987 V N 1.307 121.207 119.914 -0.024 0.000 2.250 987 V HA -0.325 3.794 4.120 -0.001 0.000 0.250 987 V C 2.334 178.446 176.094 0.030 0.000 1.060 987 V CA 1.857 64.168 62.300 0.018 0.000 1.030 987 V CB -0.674 31.154 31.823 0.009 0.000 0.643 987 V HN 0.432 nan 8.190 nan 0.000 0.445 988 L N 0.320 121.552 121.223 0.015 0.000 2.376 988 L HA -0.012 4.327 4.340 -0.001 0.000 0.219 988 L C 2.138 179.035 176.870 0.044 0.000 1.133 988 L CA 1.897 56.750 54.840 0.021 0.000 0.816 988 L CB -0.970 41.094 42.059 0.009 0.000 0.933 988 L HN 0.476 nan 8.230 nan 0.000 0.449 989 G N -1.627 107.221 108.800 0.080 0.000 2.595 989 G HA2 -0.083 3.877 3.960 -0.001 0.000 0.213 989 G HA3 -0.083 3.877 3.960 -0.001 0.000 0.213 989 G C 1.541 176.528 174.900 0.144 0.000 1.141 989 G CA 0.546 45.730 45.100 0.140 0.000 0.806 989 G HN 0.215 nan 8.290 nan 0.000 0.530 990 V N 0.513 120.519 119.914 0.154 0.000 2.379 990 V HA 0.002 4.121 4.120 -0.001 0.000 0.245 990 V C 2.638 178.747 176.094 0.024 0.000 1.044 990 V CA 2.309 64.667 62.300 0.097 0.000 1.036 990 V CB -0.100 31.795 31.823 0.120 0.000 0.664 990 V HN 0.371 nan 8.190 nan 0.000 0.453 991 K N -0.840 119.575 120.400 0.024 0.000 2.283 991 K HA -0.180 4.139 4.320 -0.001 0.000 0.202 991 K C 1.684 178.281 176.600 -0.005 0.000 1.048 991 K CA 1.462 57.749 56.287 0.000 0.000 0.948 991 K CB -0.102 32.401 32.500 0.004 0.000 0.742 991 K HN 0.486 nan 8.250 nan 0.000 0.458 992 D N 0.566 120.971 120.400 0.010 0.000 2.162 992 D HA -0.115 4.524 4.640 -0.001 0.000 0.203 992 D C 1.808 178.100 176.300 -0.014 0.000 0.967 992 D CA 0.420 54.423 54.000 0.005 0.000 0.840 992 D CB 0.109 40.923 40.800 0.024 0.000 0.972 992 D HN 0.115 nan 8.370 nan 0.000 0.482 993 L N 1.497 122.706 121.223 -0.023 0.000 1.970 993 L HA -0.203 4.137 4.340 -0.001 0.000 0.212 993 L C 2.076 178.901 176.870 -0.076 0.000 1.071 993 L CA 1.864 56.670 54.840 -0.057 0.000 0.751 993 L CB -0.786 41.224 42.059 -0.082 0.000 0.889 993 L HN -0.037 nan 8.230 nan 0.000 0.432 994 Q N -0.848 118.904 119.800 -0.080 0.000 2.297 994 Q HA -0.193 4.146 4.340 -0.001 0.000 0.208 994 Q C 1.951 177.904 176.000 -0.078 0.000 0.981 994 Q CA 1.244 56.987 55.803 -0.100 0.000 0.876 994 Q CB -0.072 28.614 28.738 -0.086 0.000 0.921 994 Q HN 0.555 nan 8.270 nan 0.000 0.446 995 E N 0.489 120.658 120.200 -0.052 0.000 2.106 995 E HA -0.100 4.249 4.350 -0.001 0.000 0.192 995 E C 1.201 177.781 176.600 -0.034 0.000 0.984 995 E CA 0.768 57.147 56.400 -0.035 0.000 0.806 995 E CB -0.062 29.625 29.700 -0.021 0.000 0.750 995 E HN 0.346 nan 8.360 nan 0.000 0.458 996 N N 0.407 119.081 118.700 -0.042 0.000 2.461 996 N HA 0.016 4.756 4.740 -0.001 0.000 0.188 996 N C 0.630 176.124 175.510 -0.028 0.000 1.134 996 N CA 0.164 53.199 53.050 -0.025 0.000 0.878 996 N CB 0.165 38.641 38.487 -0.019 0.000 0.972 996 N HN 0.139 nan 8.380 nan 0.000 0.456 997 L N 1.305 122.470 121.223 -0.098 0.000 2.955 997 L HA 0.164 4.503 4.340 -0.001 0.000 0.238 997 L C -0.220 176.669 176.870 0.032 0.000 1.359 997 L CA -0.337 54.376 54.840 -0.212 0.000 1.214 997 L CB -0.457 41.197 42.059 -0.674 0.000 1.600 997 L HN -0.072 nan 8.230 nan 0.000 0.442 998 L N 0.627 121.919 121.223 0.115 0.000 2.601 998 L HA -0.057 4.283 4.340 -0.001 0.000 0.277 998 L C 1.214 178.219 176.870 0.224 0.000 1.219 998 L CA 0.632 55.558 54.840 0.144 0.000 0.915 998 L CB 0.946 43.057 42.059 0.086 0.000 1.160 998 L HN 0.133 nan 8.230 nan 0.000 0.494 999 V N 4.844 124.874 119.914 0.193 0.000 2.908 999 V HA 0.180 4.300 4.120 -0.001 0.000 0.240 999 V C 0.646 176.794 176.094 0.090 0.000 1.117 999 V CA 0.404 62.790 62.300 0.143 0.000 1.133 999 V CB 0.646 32.566 31.823 0.162 0.000 0.857 999 V HN 0.505 nan 8.190 nan 0.000 0.478 1000 L N -0.611 120.664 121.223 0.087 0.000 2.354 1000 L HA 0.525 4.865 4.340 -0.001 0.000 0.269 1000 L C 0.809 177.713 176.870 0.057 0.000 1.005 1000 L CA -0.137 54.744 54.840 0.070 0.000 0.819 1000 L CB 2.460 44.561 42.059 0.070 0.000 1.311 1000 L HN -0.091 nan 8.230 nan 0.000 0.423 1001 R N 0.746 121.275 120.500 0.048 0.000 2.419 1001 R HA 0.211 4.550 4.340 -0.001 0.000 0.235 1001 R C 0.623 176.940 176.300 0.030 0.000 0.899 1001 R CA -0.088 56.033 56.100 0.036 0.000 1.048 1001 R CB 0.933 31.252 30.300 0.031 0.000 1.182 1001 R HN 0.804 nan 8.270 nan 0.000 0.544 1002 G N 1.270 110.090 108.800 0.033 0.000 2.257 1002 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.235 1002 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.235 1002 G C 0.190 175.103 174.900 0.021 0.000 1.225 1002 G CA 0.032 45.149 45.100 0.028 0.000 0.878 1002 G HN 0.218 nan 8.290 nan 0.000 0.505 1003 K N 0.931 121.340 120.400 0.016 0.000 2.458 1003 K HA 0.000 4.319 4.320 -0.001 0.000 0.194 1003 K C 0.654 177.260 176.600 0.010 0.000 1.024 1003 K CA 0.157 56.451 56.287 0.012 0.000 1.108 1003 K CB -0.024 32.482 32.500 0.009 0.000 0.846 1003 K HN 0.770 nan 8.250 nan 0.000 0.518 1004 N N -0.414 118.293 118.700 0.011 0.000 2.443 1004 N HA -0.012 4.727 4.740 -0.001 0.000 0.293 1004 N C 0.842 176.356 175.510 0.006 0.000 1.159 1004 N CA -0.697 52.358 53.050 0.008 0.000 0.904 1004 N CB 0.914 39.407 38.487 0.010 0.000 1.214 1004 N HN -0.171 nan 8.380 nan 0.000 0.513 1005 E N 1.224 121.424 120.200 0.001 0.000 2.097 1005 E HA -0.232 4.117 4.350 -0.001 0.000 0.196 1005 E C 1.426 178.022 176.600 -0.006 0.000 1.000 1005 E CA 1.258 57.656 56.400 -0.004 0.000 0.804 1005 E CB -0.540 29.156 29.700 -0.007 0.000 0.740 1005 E HN 0.630 nan 8.360 nan 0.000 0.454 1006 I N 1.867 122.434 120.570 -0.006 0.000 2.118 1006 I HA -0.269 3.900 4.170 -0.001 0.000 0.241 1006 I C 2.736 178.849 176.117 -0.006 0.000 1.070 1006 I CA 0.988 62.281 61.300 -0.012 0.000 1.327 1006 I CB -1.110 36.884 38.000 -0.010 0.000 1.034 1006 I HN 0.107 nan 8.210 nan 0.000 0.405 1007 I N 0.328 120.904 120.570 0.010 0.000 2.202 1007 I HA -0.233 3.936 4.170 -0.001 0.000 0.242 1007 I C 2.496 178.624 176.117 0.019 0.000 1.091 1007 I CA 1.243 62.557 61.300 0.023 0.000 1.368 1007 I CB -1.274 36.746 38.000 0.033 0.000 1.058 1007 I HN 0.343 nan 8.210 nan 0.000 0.410 1008 Q N 0.507 120.315 119.800 0.013 0.000 2.297 1008 Q HA -0.147 4.193 4.340 -0.001 0.000 0.208 1008 Q C 1.769 177.769 176.000 0.001 0.000 0.981 1008 Q CA 0.885 56.694 55.803 0.009 0.000 0.876 1008 Q CB -0.478 28.263 28.738 0.004 0.000 0.921 1008 Q HN 0.600 nan 8.270 nan 0.000 0.446 1009 N N -0.533 118.163 118.700 -0.006 0.000 2.416 1009 N HA 0.015 4.754 4.740 -0.001 0.000 0.177 1009 N C 1.262 176.762 175.510 -0.017 0.000 1.036 1009 N CA 0.668 53.708 53.050 -0.017 0.000 0.901 1009 N CB 0.371 38.843 38.487 -0.026 0.000 0.976 1009 N HN 0.151 nan 8.380 nan 0.000 0.444 1010 A N 0.446 123.262 122.820 -0.006 0.000 2.044 1010 A HA -0.048 4.271 4.320 -0.001 0.000 0.213 1010 A C 2.082 179.682 177.584 0.028 0.000 1.169 1010 A CA 0.522 52.562 52.037 0.005 0.000 0.724 1010 A CB -0.107 18.901 19.000 0.014 0.000 0.840 1010 A HN 0.121 nan 8.150 nan 0.000 0.463 1011 Q N 0.706 120.525 119.800 0.031 0.000 2.084 1011 Q HA -0.120 4.220 4.340 -0.001 0.000 0.202 1011 Q C 2.110 178.128 176.000 0.030 0.000 0.978 1011 Q CA 2.050 57.879 55.803 0.043 0.000 0.844 1011 Q CB -0.439 28.323 28.738 0.039 0.000 0.898 1011 Q HN 0.576 nan 8.270 nan 0.000 0.426 1012 R N -0.266 120.237 120.500 0.006 0.000 2.127 1012 R HA -0.146 4.193 4.340 -0.001 0.000 0.238 1012 R C 1.036 177.326 176.300 -0.016 0.000 1.134 1012 R CA 1.675 57.766 56.100 -0.014 0.000 0.975 1012 R CB -0.087 30.195 30.300 -0.030 0.000 0.865 1012 R HN 0.368 nan 8.270 nan 0.000 0.447 1013 D N -0.404 119.993 120.400 -0.005 0.000 2.183 1013 D HA -0.008 4.631 4.640 -0.001 0.000 0.205 1013 D C 1.418 177.735 176.300 0.028 0.000 0.962 1013 D CA 1.108 55.105 54.000 -0.005 0.000 0.849 1013 D CB 0.013 40.808 40.800 -0.009 0.000 0.978 1013 D HN 0.258 nan 8.370 nan 0.000 0.488 1014 A N 0.030 122.886 122.820 0.060 0.000 2.209 1014 A HA 0.009 4.329 4.320 -0.001 0.000 0.212 1014 A C 1.977 179.647 177.584 0.143 0.000 1.158 1014 A CA 0.712 52.807 52.037 0.097 0.000 0.742 1014 A CB 0.088 19.155 19.000 0.112 0.000 0.790 1014 A HN 0.154 nan 8.150 nan 0.000 0.472 1015 V N -1.698 118.290 119.914 0.124 0.000 3.570 1015 V HA -0.072 4.047 4.120 -0.001 0.000 0.257 1015 V C 2.277 178.442 176.094 0.119 0.000 1.272 1015 V CA 1.349 63.751 62.300 0.169 0.000 1.079 1015 V CB -0.471 31.416 31.823 0.106 0.000 0.829 1015 V HN 0.516 nan 8.190 nan 0.000 0.454 1016 T N 1.488 116.060 114.554 0.030 0.000 2.653 1016 T HA -0.350 4.000 4.350 -0.001 0.000 0.267 1016 T C 1.806 176.498 174.700 -0.013 0.000 1.037 1016 T CA 2.520 64.583 62.100 -0.062 0.000 1.159 1016 T CB -0.365 68.418 68.868 -0.142 0.000 0.859 1016 T HN 0.287 nan 8.240 nan 0.000 0.449 1017 L N -0.157 121.124 121.223 0.097 0.000 1.973 1017 L HA 0.080 4.420 4.340 -0.001 0.000 0.208 1017 L C 2.148 179.153 176.870 0.225 0.000 1.073 1017 L CA 1.511 56.457 54.840 0.178 0.000 0.746 1017 L CB -0.781 41.405 42.059 0.211 0.000 0.891 1017 L HN 0.161 nan 8.230 nan 0.000 0.433 1018 F N 0.411 120.428 119.950 0.111 0.000 2.085 1018 F HA -0.375 4.151 4.527 -0.001 0.000 0.299 1018 F C 2.534 178.370 175.800 0.059 0.000 1.096 1018 F CA 1.903 59.974 58.000 0.117 0.000 1.227 1018 F CB -1.067 38.035 39.000 0.169 0.000 0.983 1018 F HN 0.260 nan 8.300 nan 0.000 0.482 1019 C N -1.172 118.070 119.300 -0.096 0.000 2.437 1019 C HA -0.130 4.330 4.460 -0.001 0.000 0.283 1019 C C 3.078 177.982 174.990 -0.144 0.000 1.424 1019 C CA 0.494 59.382 59.018 -0.217 0.000 1.782 1019 C CB -2.284 25.377 27.740 -0.132 0.000 1.833 1019 C HN 0.678 nan 8.230 nan 0.000 0.532 1020 C N 0.361 119.627 119.300 -0.055 0.000 2.436 1020 C HA -0.123 4.336 4.460 -0.001 0.000 0.277 1020 C C 2.667 177.661 174.990 0.007 0.000 1.241 1020 C CA 1.458 60.477 59.018 0.003 0.000 1.721 1020 C CB -1.395 26.401 27.740 0.093 0.000 2.043 1020 C HN 0.668 nan 8.230 nan 0.000 0.472 1021 L N 0.295 121.518 121.223 0.001 0.000 2.046 1021 L HA -0.103 4.236 4.340 -0.001 0.000 0.208 1021 L C 2.220 179.039 176.870 -0.085 0.000 1.077 1021 L CA 1.689 56.533 54.840 0.008 0.000 0.747 1021 L CB -0.832 41.261 42.059 0.057 0.000 0.896 1021 L HN 0.248 nan 8.230 nan 0.000 0.432 1022 L N -0.168 120.889 121.223 -0.277 0.000 1.955 1022 L HA -0.248 4.092 4.340 -0.001 0.000 0.213 1022 L C 2.768 179.592 176.870 -0.076 0.000 1.072 1022 L CA 2.003 56.682 54.840 -0.269 0.000 0.755 1022 L CB -0.477 41.343 42.059 -0.399 0.000 0.888 1022 L HN 0.226 nan 8.230 nan 0.000 0.432 1023 R N -0.965 119.504 120.500 -0.051 0.000 2.193 1023 R HA -0.123 4.216 4.340 -0.001 0.000 0.229 1023 R C 2.260 178.633 176.300 0.122 0.000 1.110 1023 R CA 1.291 57.408 56.100 0.029 0.000 0.988 1023 R CB -0.495 29.811 30.300 0.009 0.000 0.871 1023 R HN 0.608 nan 8.270 nan 0.000 0.458 1024 S N -0.186 115.590 115.700 0.127 0.000 2.470 1024 S HA 0.029 4.498 4.470 -0.001 0.000 0.225 1024 S C 1.842 176.618 174.600 0.294 0.000 1.006 1024 S CA 0.274 58.635 58.200 0.268 0.000 0.934 1024 S CB 0.203 63.517 63.200 0.190 0.000 0.778 1024 S HN 0.110 nan 8.310 nan 0.000 0.517 1025 R N 0.427 121.040 120.500 0.187 0.000 2.189 1025 R HA 0.453 4.792 4.340 -0.001 0.000 0.203 1025 R C 0.737 177.187 176.300 0.249 0.000 1.012 1025 R CA 0.494 56.726 56.100 0.220 0.000 1.015 1025 R CB -0.043 30.352 30.300 0.159 0.000 0.938 1025 R HN 0.372 nan 8.270 nan 0.000 0.472 1026 L N 0.535 121.861 121.223 0.171 0.000 3.108 1026 L HA 0.498 4.837 4.340 -0.001 0.000 0.251 1026 L C -0.373 176.599 176.870 0.169 0.000 1.315 1026 L CA -0.672 54.284 54.840 0.192 0.000 1.048 1026 L CB 0.767 42.905 42.059 0.132 0.000 1.432 1026 L HN 0.019 nan 8.230 nan 0.000 0.543 1027 A N -0.658 122.241 122.820 0.133 0.000 2.312 1027 A HA 0.509 4.828 4.320 -0.001 0.000 0.328 1027 A C 1.275 178.870 177.584 0.019 0.000 1.158 1027 A CA -0.268 51.827 52.037 0.098 0.000 0.821 1027 A CB 0.874 19.975 19.000 0.168 0.000 1.170 1027 A HN 0.303 nan 8.150 nan 0.000 0.490 1028 T N 1.366 115.930 114.554 0.018 0.000 2.592 1028 T HA -0.212 4.137 4.350 -0.001 0.000 0.267 1028 T C 2.116 176.772 174.700 -0.073 0.000 1.060 1028 T CA 1.842 63.926 62.100 -0.026 0.000 1.167 1028 T CB -0.255 68.604 68.868 -0.014 0.000 0.863 1028 T HN 0.610 nan 8.240 nan 0.000 0.431 1029 R N 0.783 121.224 120.500 -0.098 0.000 2.096 1029 R HA -0.033 4.306 4.340 -0.001 0.000 0.240 1029 R C 2.680 178.848 176.300 -0.219 0.000 1.139 1029 R CA 1.472 57.479 56.100 -0.154 0.000 0.952 1029 R CB -0.421 29.767 30.300 -0.186 0.000 0.854 1029 R HN 0.402 nan 8.270 nan 0.000 0.436 1030 R N -0.233 120.091 120.500 -0.293 0.000 2.070 1030 R HA -0.089 4.250 4.340 -0.001 0.000 0.232 1030 R C 2.329 178.425 176.300 -0.340 0.000 1.138 1030 R CA 1.607 57.472 56.100 -0.391 0.000 0.936 1030 R CB -0.578 29.476 30.300 -0.410 0.000 0.839 1030 R HN 0.066 nan 8.270 nan 0.000 0.429 1031 V N 1.777 121.647 119.914 -0.074 0.000 2.324 1031 V HA -0.277 3.843 4.120 -0.001 0.000 0.250 1031 V C 2.473 178.581 176.094 0.022 0.000 1.060 1031 V CA 1.581 63.960 62.300 0.132 0.000 1.042 1031 V CB -0.471 31.457 31.823 0.175 0.000 0.650 1031 V HN 0.303 nan 8.190 nan 0.000 0.450 1032 L N -0.825 120.360 121.223 -0.065 0.000 2.049 1032 L HA -0.115 4.225 4.340 -0.001 0.000 0.203 1032 L C 2.507 179.318 176.870 -0.098 0.000 1.074 1032 L CA 1.984 56.779 54.840 -0.076 0.000 0.749 1032 L CB -1.015 40.993 42.059 -0.084 0.000 0.907 1032 L HN 0.380 nan 8.230 nan 0.000 0.439 1033 Q N 0.177 119.892 119.800 -0.142 0.000 1.990 1033 Q HA -0.183 4.156 4.340 -0.001 0.000 0.200 1033 Q C 2.067 177.983 176.000 -0.140 0.000 0.980 1033 Q CA 1.920 57.639 55.803 -0.139 0.000 0.832 1033 Q CB 0.121 28.756 28.738 -0.172 0.000 0.897 1033 Q HN 0.392 nan 8.270 nan 0.000 0.427 1034 E N -1.296 118.745 120.200 -0.265 0.000 2.024 1034 E HA -0.044 4.305 4.350 -0.001 0.000 0.190 1034 E C -0.440 176.100 176.600 -0.099 0.000 0.974 1034 E CA 0.709 56.940 56.400 -0.282 0.000 0.810 1034 E CB 0.120 29.492 29.700 -0.547 0.000 0.775 1034 E HN 0.355 nan 8.360 nan 0.000 0.453 1035 Y N -0.277 120.054 120.300 0.052 0.000 2.478 1035 Y HA 0.495 5.044 4.550 -0.001 0.000 0.329 1035 Y C -0.745 175.154 175.900 -0.002 0.000 0.967 1035 Y CA -1.133 57.019 58.100 0.086 0.000 1.255 1035 Y CB 0.307 38.823 38.460 0.094 0.000 1.103 1035 Y HN -0.246 nan 8.280 nan 0.000 0.497 1036 R N 3.907 124.410 120.500 0.005 0.000 3.688 1036 R HA 0.226 4.566 4.340 -0.001 0.000 0.194 1036 R C -0.441 175.830 176.300 -0.049 0.000 1.677 1036 R CA -0.165 55.882 56.100 -0.089 0.000 1.351 1036 R CB -0.091 30.066 30.300 -0.238 0.000 1.338 1036 R HN 0.637 nan 8.270 nan 0.000 0.731 1037 L N 2.074 123.336 121.223 0.065 0.000 2.490 1037 L HA 0.042 4.382 4.340 -0.001 0.000 0.274 1037 L C 0.915 177.792 176.870 0.012 0.000 1.201 1037 L CA 0.695 55.579 54.840 0.072 0.000 0.869 1037 L CB 0.535 42.714 42.059 0.200 0.000 1.123 1037 L HN 0.523 nan 8.230 nan 0.000 0.484 1038 T N -0.171 114.373 114.554 -0.018 0.000 2.882 1038 T HA 0.183 4.532 4.350 -0.001 0.000 0.287 1038 T C 0.927 175.608 174.700 -0.033 0.000 0.992 1038 T CA -0.885 61.191 62.100 -0.041 0.000 1.076 1038 T CB 2.065 70.905 68.868 -0.047 0.000 0.961 1038 T HN 0.579 nan 8.240 nan 0.000 0.490 1039 K N 1.756 122.133 120.400 -0.037 0.000 2.081 1039 K HA -0.363 3.956 4.320 -0.001 0.000 0.222 1039 K C 2.155 178.769 176.600 0.023 0.000 1.055 1039 K CA 2.493 58.775 56.287 -0.008 0.000 0.954 1039 K CB -0.722 31.762 32.500 -0.026 0.000 0.732 1039 K HN 0.772 nan 8.250 nan 0.000 0.458 1040 Q N -0.663 119.106 119.800 -0.052 0.000 2.077 1040 Q HA -0.201 4.138 4.340 -0.001 0.000 0.206 1040 Q C 2.045 177.842 176.000 -0.339 0.000 0.989 1040 Q CA 2.236 57.970 55.803 -0.116 0.000 0.853 1040 Q CB -0.365 28.318 28.738 -0.091 0.000 0.907 1040 Q HN 0.534 nan 8.270 nan 0.000 0.418 1041 A N 0.064 122.532 122.820 -0.588 0.000 1.898 1041 A HA -0.179 4.140 4.320 -0.001 0.000 0.216 1041 A C 1.841 179.340 177.584 -0.142 0.000 1.181 1041 A CA 1.202 52.720 52.037 -0.865 0.000 0.620 1041 A CB -0.931 17.689 19.000 -0.632 0.000 0.819 1041 A HN 0.564 nan 8.150 nan 0.000 0.442 1042 F N 1.385 121.254 119.950 -0.136 0.000 2.095 1042 F HA -0.214 4.312 4.527 -0.001 0.000 0.298 1042 F C 1.745 177.549 175.800 0.007 0.000 1.104 1042 F CA 2.219 60.201 58.000 -0.030 0.000 1.232 1042 F CB -0.147 38.836 39.000 -0.030 0.000 0.987 1042 F HN 0.240 nan 8.300 nan 0.000 0.475 1043 D N -0.747 119.743 120.400 0.151 0.000 2.218 1043 D HA -0.235 4.404 4.640 -0.001 0.000 0.204 1043 D C 1.754 178.075 176.300 0.034 0.000 0.976 1043 D CA 1.259 55.303 54.000 0.072 0.000 0.853 1043 D CB -0.697 40.181 40.800 0.130 0.000 0.939 1043 D HN 0.570 nan 8.370 nan 0.000 0.481 1044 W N 1.351 122.589 121.300 -0.103 0.000 2.407 1044 W HA -0.154 4.506 4.660 -0.001 0.000 0.305 1044 W C 2.130 178.609 176.519 -0.066 0.000 1.196 1044 W CA 0.849 58.181 57.345 -0.023 0.000 1.311 1044 W CB -0.438 29.086 29.460 0.107 0.000 1.135 1044 W HN -0.278 nan 8.180 nan 0.000 0.514 1045 V N 1.192 121.058 119.914 -0.080 0.000 2.252 1045 V HA -0.354 3.765 4.120 -0.001 0.000 0.249 1045 V C 2.368 178.211 176.094 -0.417 0.000 1.056 1045 V CA 2.149 64.253 62.300 -0.326 0.000 1.022 1045 V CB -1.178 30.497 31.823 -0.246 0.000 0.641 1045 V HN 0.185 nan 8.190 nan 0.000 0.445 1046 L N -0.445 120.499 121.223 -0.465 0.000 2.189 1046 L HA -0.171 4.168 4.340 -0.001 0.000 0.214 1046 L C 2.573 179.299 176.870 -0.241 0.000 1.097 1046 L CA 2.097 56.717 54.840 -0.367 0.000 0.764 1046 L CB -0.607 41.229 42.059 -0.371 0.000 0.900 1046 L HN 0.286 nan 8.230 nan 0.000 0.436 1047 S N -1.329 114.216 115.700 -0.257 0.000 2.371 1047 S HA -0.063 4.406 4.470 -0.001 0.000 0.221 1047 S C 1.819 176.272 174.600 -0.245 0.000 1.036 1047 S CA 0.669 58.753 58.200 -0.195 0.000 0.965 1047 S CB -0.139 62.985 63.200 -0.126 0.000 0.845 1047 S HN 0.500 nan 8.310 nan 0.000 0.475 1048 N N 1.060 119.488 118.700 -0.453 0.000 2.036 1048 N HA -0.125 4.614 4.740 -0.001 0.000 0.195 1048 N C 1.785 177.179 175.510 -0.192 0.000 1.037 1048 N CA 1.714 54.521 53.050 -0.405 0.000 0.855 1048 N CB -0.330 37.744 38.487 -0.688 0.000 1.033 1048 N HN 0.359 nan 8.380 nan 0.000 0.423 1049 I N 1.569 122.034 120.570 -0.176 0.000 2.091 1049 I HA -0.311 3.858 4.170 -0.001 0.000 0.239 1049 I C 2.620 178.770 176.117 0.054 0.000 1.061 1049 I CA 1.350 62.637 61.300 -0.022 0.000 1.317 1049 I CB -0.423 37.559 38.000 -0.029 0.000 1.031 1049 I HN 0.267 nan 8.210 nan 0.000 0.401 1050 E N 0.837 121.034 120.200 -0.004 0.000 2.065 1050 E HA -0.328 4.021 4.350 -0.001 0.000 0.201 1050 E C 2.184 178.837 176.600 0.088 0.000 1.016 1050 E CA 1.983 58.405 56.400 0.037 0.000 0.818 1050 E CB -0.081 29.612 29.700 -0.012 0.000 0.749 1050 E HN 0.540 nan 8.360 nan 0.000 0.453 1051 A N 0.640 123.477 122.820 0.028 0.000 1.898 1051 A HA -0.192 4.127 4.320 -0.001 0.000 0.216 1051 A C 2.077 179.693 177.584 0.052 0.000 1.181 1051 A CA 1.314 53.370 52.037 0.031 0.000 0.620 1051 A CB -0.430 18.568 19.000 -0.003 0.000 0.819 1051 A HN 0.299 nan 8.150 nan 0.000 0.442 1052 Q N -1.792 118.037 119.800 0.049 0.000 2.084 1052 Q HA -0.169 4.170 4.340 -0.001 0.000 0.202 1052 Q C 1.910 177.960 176.000 0.083 0.000 0.978 1052 Q CA 1.612 57.453 55.803 0.063 0.000 0.844 1052 Q CB -0.270 28.498 28.738 0.050 0.000 0.898 1052 Q HN 0.729 nan 8.270 nan 0.000 0.426 1053 F N 1.301 121.233 119.950 -0.029 0.000 2.010 1053 F HA -0.260 4.266 4.527 -0.001 0.000 0.296 1053 F C 2.083 177.846 175.800 -0.060 0.000 1.146 1053 F CA 1.436 59.393 58.000 -0.072 0.000 1.181 1053 F CB -0.522 38.457 39.000 -0.034 0.000 0.965 1053 F HN -0.036 nan 8.300 nan 0.000 0.480 1054 L N 0.212 121.554 121.223 0.198 0.000 2.085 1054 L HA -0.350 3.990 4.340 -0.001 0.000 0.218 1054 L C 2.587 179.411 176.870 -0.077 0.000 1.080 1054 L CA 1.798 56.668 54.840 0.049 0.000 0.776 1054 L CB -0.642 41.473 42.059 0.092 0.000 0.891 1054 L HN 0.170 nan 8.230 nan 0.000 0.437 1055 R N -1.061 119.413 120.500 -0.043 0.000 2.285 1055 R HA -0.065 4.274 4.340 -0.001 0.000 0.213 1055 R C 2.126 178.323 176.300 -0.171 0.000 1.068 1055 R CA 1.009 57.086 56.100 -0.038 0.000 1.004 1055 R CB -0.024 30.309 30.300 0.054 0.000 0.873 1055 R HN 0.314 nan 8.270 nan 0.000 0.467 1056 S N -0.200 115.331 115.700 -0.282 0.000 2.503 1056 S HA 0.060 4.530 4.470 -0.001 0.000 0.217 1056 S C 0.578 174.908 174.600 -0.449 0.000 0.999 1056 S CA -0.137 57.804 58.200 -0.433 0.000 0.914 1056 S CB 0.501 63.486 63.200 -0.358 0.000 0.782 1056 S HN -0.043 nan 8.310 nan 0.000 0.520 1057 V N 3.078 122.753 119.914 -0.397 0.000 2.557 1057 V HA 0.005 4.124 4.120 -0.001 0.000 0.301 1057 V C 0.665 176.650 176.094 -0.182 0.000 1.026 1057 V CA -0.022 62.110 62.300 -0.280 0.000 1.137 1057 V CB 0.498 32.191 31.823 -0.217 0.000 0.917 1057 V HN 0.203 nan 8.190 nan 0.000 0.484 1058 V N 6.872 126.702 119.914 -0.141 0.000 2.673 1058 V HA 0.010 4.129 4.120 -0.001 0.000 0.303 1058 V C 0.694 176.749 176.094 -0.065 0.000 1.046 1058 V CA -0.000 62.226 62.300 -0.123 0.000 1.126 1058 V CB 0.298 31.959 31.823 -0.271 0.000 0.934 1058 V HN 0.819 nan 8.190 nan 0.000 0.487 1059 H N 6.883 125.831 119.070 -0.204 0.000 2.742 1059 H HA 0.219 4.774 4.556 -0.001 0.000 0.302 1059 H C -2.187 173.023 175.328 -0.198 0.000 1.069 1059 H CA -1.687 54.269 56.048 -0.154 0.000 1.446 1059 H CB 1.033 30.725 29.762 -0.117 0.000 1.462 1059 H HN 0.552 nan 8.280 nan 0.000 0.499 1060 P HA -0.082 nan 4.420 nan 0.000 0.261 1060 P C 0.960 177.995 177.300 -0.443 0.000 1.183 1060 P CA 1.124 64.000 63.100 -0.373 0.000 0.761 1060 P CB 0.682 32.040 31.700 -0.569 0.000 0.785 1061 G N 2.264 110.824 108.800 -0.401 0.000 2.799 1061 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.200 1061 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.200 1061 G C 0.005 174.781 174.900 -0.208 0.000 1.206 1061 G CA -0.555 44.369 45.100 -0.292 0.000 0.827 1061 G HN 0.516 nan 8.290 nan 0.000 0.511 1062 E N 1.853 121.950 120.200 -0.171 0.000 3.311 1062 E HA -0.062 4.287 4.350 -0.001 0.000 0.264 1062 E C 0.423 176.934 176.600 -0.149 0.000 0.875 1062 E CA 0.719 57.023 56.400 -0.160 0.000 0.969 1062 E CB 0.042 29.612 29.700 -0.217 0.000 0.910 1062 E HN 0.309 nan 8.360 nan 0.000 0.548 1063 M N 4.807 124.342 119.600 -0.108 0.000 3.213 1063 M HA 0.028 4.508 4.480 -0.001 0.000 0.275 1063 M C 0.944 177.215 176.300 -0.048 0.000 1.424 1063 M CA -0.158 55.095 55.300 -0.079 0.000 1.561 1063 M CB 0.012 32.572 32.600 -0.066 0.000 1.109 1063 M HN 0.192 nan 8.290 nan 0.000 0.552 1064 V N 1.402 121.291 119.914 -0.042 0.000 3.141 1064 V HA -0.103 4.016 4.120 -0.001 0.000 0.265 1064 V C 2.153 178.295 176.094 0.080 0.000 1.126 1064 V CA 1.770 64.094 62.300 0.041 0.000 1.141 1064 V CB -1.019 30.864 31.823 0.100 0.000 0.743 1064 V HN 0.866 nan 8.190 nan 0.000 0.492 1065 G N 0.692 109.508 108.800 0.026 0.000 2.575 1065 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.215 1065 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.215 1065 G C 1.616 176.510 174.900 -0.009 0.000 1.262 1065 G CA 1.286 46.385 45.100 -0.000 0.000 0.807 1065 G HN 0.338 nan 8.290 nan 0.000 0.567 1066 V N 1.054 120.956 119.914 -0.020 0.000 2.287 1066 V HA -0.184 3.935 4.120 -0.001 0.000 0.248 1066 V C 2.839 178.924 176.094 -0.014 0.000 1.053 1066 V CA 1.703 63.986 62.300 -0.028 0.000 1.027 1066 V CB -0.717 31.090 31.823 -0.027 0.000 0.646 1066 V HN 0.340 nan 8.190 nan 0.000 0.447 1067 L N -0.042 121.188 121.223 0.013 0.000 2.021 1067 L HA -0.295 4.045 4.340 -0.001 0.000 0.215 1067 L C 2.591 179.488 176.870 0.045 0.000 1.074 1067 L CA 2.067 56.931 54.840 0.039 0.000 0.760 1067 L CB -0.512 41.608 42.059 0.101 0.000 0.889 1067 L HN 0.398 nan 8.230 nan 0.000 0.433 1068 A N -1.047 121.842 122.820 0.114 0.000 1.930 1068 A HA -0.095 4.225 4.320 -0.001 0.000 0.217 1068 A C 2.377 179.954 177.584 -0.011 0.000 1.175 1068 A CA 1.467 53.584 52.037 0.132 0.000 0.627 1068 A CB -0.655 18.422 19.000 0.129 0.000 0.815 1068 A HN 0.515 nan 8.150 nan 0.000 0.443 1069 A N 0.062 122.856 122.820 -0.045 0.000 1.855 1069 A HA -0.192 4.127 4.320 -0.001 0.000 0.215 1069 A C 2.064 179.589 177.584 -0.099 0.000 1.191 1069 A CA 1.553 53.540 52.037 -0.082 0.000 0.613 1069 A CB -0.711 18.231 19.000 -0.096 0.000 0.829 1069 A HN 0.636 nan 8.150 nan 0.000 0.442 1070 Q N 0.071 119.812 119.800 -0.098 0.000 2.364 1070 Q HA -0.018 4.321 4.340 -0.001 0.000 0.207 1070 Q C 1.948 177.853 176.000 -0.159 0.000 0.970 1070 Q CA 1.277 57.005 55.803 -0.125 0.000 0.888 1070 Q CB -0.172 28.511 28.738 -0.092 0.000 0.951 1070 Q HN 0.554 nan 8.270 nan 0.000 0.469 1071 S N 0.380 115.968 115.700 -0.185 0.000 2.470 1071 S HA 0.060 4.529 4.470 -0.001 0.000 0.225 1071 S C 1.776 176.257 174.600 -0.199 0.000 1.006 1071 S CA 0.522 58.553 58.200 -0.282 0.000 0.934 1071 S CB 0.102 62.889 63.200 -0.687 0.000 0.778 1071 S HN 0.310 nan 8.310 nan 0.000 0.517 1072 I N 0.996 121.483 120.570 -0.139 0.000 2.494 1072 I HA 0.093 4.262 4.170 -0.001 0.000 0.250 1072 I C 2.671 178.725 176.117 -0.104 0.000 1.112 1072 I CA 0.790 62.029 61.300 -0.102 0.000 1.438 1072 I CB -0.789 37.164 38.000 -0.078 0.000 1.111 1072 I HN 0.302 nan 8.210 nan 0.000 0.431 1073 G N 0.570 109.302 108.800 -0.114 0.000 2.422 1073 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.218 1073 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.218 1073 G C 1.593 176.415 174.900 -0.131 0.000 1.146 1073 G CA 0.560 45.593 45.100 -0.111 0.000 0.769 1073 G HN 0.280 nan 8.290 nan 0.000 0.547 1074 E N 1.131 121.220 120.200 -0.185 0.000 2.031 1074 E HA -0.085 4.264 4.350 -0.001 0.000 0.193 1074 E C 0.212 176.729 176.600 -0.138 0.000 0.994 1074 E CA 1.316 57.576 56.400 -0.233 0.000 0.800 1074 E CB -0.779 28.669 29.700 -0.421 0.000 0.752 1074 E HN 0.287 nan 8.360 nan 0.000 0.447 1075 P HA -0.095 nan 4.420 nan 0.000 0.215 1075 P C 1.213 178.482 177.300 -0.051 0.000 1.153 1075 P CA 2.085 65.150 63.100 -0.059 0.000 0.853 1075 P CB -0.303 31.367 31.700 -0.049 0.000 0.788 1076 A N -0.727 122.058 122.820 -0.057 0.000 2.009 1076 A HA -0.262 4.057 4.320 -0.001 0.000 0.222 1076 A C 2.180 179.743 177.584 -0.035 0.000 1.175 1076 A CA 2.585 54.597 52.037 -0.042 0.000 0.651 1076 A CB -1.995 16.977 19.000 -0.046 0.000 0.815 1076 A HN 0.213 nan 8.150 nan 0.000 0.459 1077 T N -0.147 114.378 114.554 -0.048 0.000 2.904 1077 T HA -0.072 4.277 4.350 -0.001 0.000 0.267 1077 T C 1.440 176.123 174.700 -0.027 0.000 1.059 1077 T CA 1.375 63.451 62.100 -0.040 0.000 1.137 1077 T CB -0.132 68.702 68.868 -0.057 0.000 0.879 1077 T HN 0.527 nan 8.240 nan 0.000 0.467 1078 Q N 0.534 120.318 119.800 -0.026 0.000 2.280 1078 Q HA 0.288 4.627 4.340 -0.001 0.000 0.202 1078 Q C 0.140 176.140 176.000 0.000 0.000 0.903 1078 Q CA 0.038 55.834 55.803 -0.012 0.000 0.948 1078 Q CB -0.451 28.281 28.738 -0.009 0.000 1.058 1078 Q HN 0.575 nan 8.270 nan 0.000 0.493 1079 M N 1.607 121.207 119.600 -0.001 0.000 2.194 1079 M HA 0.129 4.608 4.480 -0.001 0.000 0.347 1079 M C 0.140 176.448 176.300 0.013 0.000 1.439 1079 M CA 0.265 55.571 55.300 0.010 0.000 1.131 1079 M CB 0.461 33.065 32.600 0.007 0.000 1.733 1079 M HN -0.100 nan 8.290 nan 0.000 0.467 1080 T N 2.325 116.897 114.554 0.030 0.000 2.770 1080 T HA 0.416 4.765 4.350 -0.001 0.000 0.281 1080 T C 0.595 175.304 174.700 0.015 0.000 0.981 1080 T CA -0.956 61.163 62.100 0.032 0.000 0.955 1080 T CB 0.382 69.287 68.868 0.061 0.000 1.060 1080 T HN 0.664 nan 8.240 nan 0.000 0.531 1081 L N 1.968 123.190 121.223 -0.001 0.000 3.893 1081 L HA -0.228 4.112 4.340 -0.001 0.000 0.510 1081 L C 1.175 177.981 176.870 -0.106 0.000 0.996 1081 L CA -0.082 54.722 54.840 -0.061 0.000 0.832 1081 L CB -1.515 40.499 42.059 -0.075 0.000 0.929 1081 L HN 0.767 nan 8.230 nan 0.000 0.765 1082 N N -0.876 117.764 118.700 -0.099 0.000 2.609 1082 N HA -0.103 4.636 4.740 -0.001 0.000 0.190 1082 N C 0.823 176.197 175.510 -0.227 0.000 1.157 1082 N CA 0.942 53.928 53.050 -0.108 0.000 0.918 1082 N CB -0.011 38.436 38.487 -0.067 0.000 0.978 1082 N HN 0.646 nan 8.380 nan 0.000 0.448 1083 T N -0.783 113.549 114.554 -0.370 0.000 4.593 1083 T HA 0.323 4.673 4.350 -0.001 0.000 0.208 1083 T C 0.203 174.419 174.700 -0.807 0.000 0.748 1083 T CA 0.333 61.931 62.100 -0.836 0.000 2.311 1083 T CB -0.278 68.144 68.868 -0.743 0.000 1.788 1083 T HN 0.255 nan 8.240 nan 0.000 0.291 1084 F N -1.864 118.032 119.950 -0.089 0.000 2.817 1084 F HA 0.490 5.017 4.527 -0.001 0.000 0.317 1084 F C 0.058 175.670 175.800 -0.312 0.000 1.168 1084 F CA -1.202 56.759 58.000 -0.065 0.000 0.911 1084 F CB 0.722 39.911 39.000 0.316 0.000 1.337 1084 F HN 0.363 nan 8.300 nan 0.000 0.464 1085 H N -0.404 118.825 119.070 0.265 0.000 2.592 1085 H HA 0.291 4.846 4.556 -0.001 0.000 0.279 1085 H C 0.396 175.673 175.328 -0.085 0.000 1.089 1085 H CA 0.121 56.190 56.048 0.034 0.000 1.150 1085 H CB 0.141 29.853 29.762 -0.084 0.000 1.575 1085 H HN 0.503 nan 8.280 nan 0.000 0.547 1086 F N 1.070 121.128 119.950 0.180 0.000 2.710 1086 F HA 0.173 4.700 4.527 -0.001 0.000 0.298 1086 F C 2.086 177.899 175.800 0.021 0.000 1.137 1086 F CA 0.188 58.205 58.000 0.027 0.000 1.444 1086 F CB 0.348 39.249 39.000 -0.164 0.000 1.111 1086 F HN 0.098 nan 8.300 nan 0.000 0.580 1087 A N 0.398 123.390 122.820 0.287 0.000 2.728 1087 A HA 0.417 4.736 4.320 -0.001 0.000 0.258 1087 A C 2.001 179.658 177.584 0.122 0.000 1.454 1087 A CA 0.633 52.798 52.037 0.213 0.000 1.146 1087 A CB -1.414 17.767 19.000 0.301 0.000 0.985 1087 A HN 0.385 nan 8.150 nan 0.000 0.603 1088 G N -0.792 108.061 108.800 0.090 0.000 2.441 1088 G HA2 0.229 4.188 3.960 -0.001 0.000 0.212 1088 G HA3 0.229 4.188 3.960 -0.001 0.000 0.212 1088 G C 0.545 175.452 174.900 0.011 0.000 1.164 1088 G CA 0.450 45.574 45.100 0.041 0.000 0.811 1088 G HN 0.316 nan 8.290 nan 0.000 0.535 1089 V N 1.570 121.500 119.914 0.027 0.000 2.546 1089 V HA 0.481 4.600 4.120 -0.001 0.000 0.284 1089 V C 1.443 177.548 176.094 0.019 0.000 1.050 1089 V CA 0.076 62.384 62.300 0.013 0.000 0.981 1089 V CB 1.333 33.173 31.823 0.028 0.000 0.990 1089 V HN 0.330 nan 8.190 nan 0.000 0.474 1090 A N 3.594 126.415 122.820 0.001 0.000 2.209 1090 A HA 0.074 4.393 4.320 -0.001 0.000 0.212 1090 A C 1.236 178.823 177.584 0.006 0.000 1.158 1090 A CA 1.064 53.106 52.037 0.009 0.000 0.742 1090 A CB -0.217 18.779 19.000 -0.006 0.000 0.790 1090 A HN 1.119 nan 8.150 nan 0.000 0.472 1091 S N -2.048 113.646 115.700 -0.010 0.000 2.686 1091 S HA 0.330 4.799 4.470 -0.001 0.000 0.223 1091 S C 0.082 174.652 174.600 -0.050 0.000 0.885 1091 S CA -0.324 57.854 58.200 -0.036 0.000 1.115 1091 S CB -0.066 63.116 63.200 -0.030 0.000 1.459 1091 S HN 0.349 nan 8.310 nan 0.000 0.444 1092 K N 1.816 122.192 120.400 -0.041 0.000 2.374 1092 K HA 0.229 4.548 4.320 -0.001 0.000 0.196 1092 K C -0.079 176.414 176.600 -0.178 0.000 1.023 1092 K CA -0.152 56.118 56.287 -0.029 0.000 1.103 1092 K CB 0.147 32.697 32.500 0.084 0.000 0.848 1092 K HN 0.374 nan 8.250 nan 0.000 0.528 1093 K N 1.482 121.694 120.400 -0.313 0.000 2.491 1093 K HA -0.001 4.318 4.320 -0.001 0.000 0.279 1093 K C -0.491 175.657 176.600 -0.754 0.000 1.026 1093 K CA 0.072 55.874 56.287 -0.807 0.000 1.070 1093 K CB 0.627 32.730 32.500 -0.661 0.000 0.887 1093 K HN -0.084 nan 8.250 nan 0.000 0.481 1094 V N -0.500 118.804 119.914 -1.017 0.000 2.623 1094 V HA 0.207 4.326 4.120 -0.001 0.000 0.304 1094 V C 0.031 175.924 176.094 -0.335 0.000 1.054 1094 V CA -1.360 60.592 62.300 -0.581 0.000 0.882 1094 V CB 1.377 32.857 31.823 -0.572 0.000 1.002 1094 V HN 0.833 nan 8.190 nan 0.000 0.424 1095 T N 1.848 116.385 114.554 -0.028 0.000 2.704 1095 T HA 0.375 4.725 4.350 -0.001 0.000 0.271 1095 T C 0.435 175.219 174.700 0.140 0.000 1.000 1095 T CA 0.569 62.782 62.100 0.189 0.000 1.216 1095 T CB -0.472 68.469 68.868 0.122 0.000 0.961 1095 T HN 1.596 nan 8.240 nan 0.000 0.515 1096 S N 1.711 117.558 115.700 0.245 0.000 2.588 1096 S HA 0.924 5.393 4.470 -0.001 0.000 0.275 1096 S C 0.273 174.963 174.600 0.149 0.000 1.130 1096 S CA -0.287 58.018 58.200 0.174 0.000 0.855 1096 S CB 1.886 65.210 63.200 0.207 0.000 1.116 1096 S HN 2.028 nan 8.310 nan 0.000 0.472 1097 G N 0.411 109.269 108.800 0.098 0.000 2.482 1097 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.214 1097 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.214 1097 G C 0.407 175.329 174.900 0.037 0.000 1.271 1097 G CA -0.189 44.946 45.100 0.057 0.000 0.944 1097 G HN 1.530 nan 8.290 nan 0.000 0.568 1098 V N 3.198 123.124 119.914 0.019 0.000 2.407 1098 V HA -0.074 4.045 4.120 -0.001 0.000 0.248 1098 V C 0.724 176.835 176.094 0.028 0.000 1.055 1098 V CA 2.993 65.303 62.300 0.017 0.000 1.049 1098 V CB -1.346 30.482 31.823 0.008 0.000 0.662 1098 V HN 0.691 nan 8.190 nan 0.000 0.455 1099 P HA -0.203 nan 4.420 nan 0.000 0.216 1099 P C 1.643 178.977 177.300 0.058 0.000 1.153 1099 P CA 1.557 64.681 63.100 0.041 0.000 0.848 1099 P CB 0.000 31.722 31.700 0.036 0.000 0.787 1100 R N 0.010 120.550 120.500 0.067 0.000 2.082 1100 R HA -0.133 4.207 4.340 -0.001 0.000 0.234 1100 R C 2.417 178.761 176.300 0.073 0.000 1.136 1100 R CA 1.282 57.428 56.100 0.078 0.000 0.935 1100 R CB -1.612 28.736 30.300 0.081 0.000 0.842 1100 R HN 0.005 nan 8.270 nan 0.000 0.430 1101 L N 1.352 122.605 121.223 0.049 0.000 2.129 1101 L HA -0.205 4.134 4.340 -0.001 0.000 0.212 1101 L C 2.205 179.099 176.870 0.040 0.000 1.087 1101 L CA 1.925 56.783 54.840 0.030 0.000 0.757 1101 L CB -0.469 41.594 42.059 0.007 0.000 0.896 1101 L HN 0.275 nan 8.230 nan 0.000 0.434 1102 K N -0.650 119.781 120.400 0.051 0.000 2.057 1102 K HA -0.184 4.135 4.320 -0.001 0.000 0.206 1102 K C 1.893 178.544 176.600 0.085 0.000 1.050 1102 K CA 1.645 57.969 56.287 0.062 0.000 0.935 1102 K CB -0.021 32.519 32.500 0.066 0.000 0.715 1102 K HN 0.487 nan 8.250 nan 0.000 0.439 1103 E N 0.789 121.047 120.200 0.096 0.000 2.012 1103 E HA -0.214 4.135 4.350 -0.001 0.000 0.197 1103 E C 2.125 178.840 176.600 0.192 0.000 1.007 1103 E CA 1.651 58.123 56.400 0.121 0.000 0.816 1103 E CB -0.249 29.518 29.700 0.113 0.000 0.762 1103 E HN 0.261 nan 8.360 nan 0.000 0.451 1104 I N 0.962 121.666 120.570 0.224 0.000 2.103 1104 I HA -0.375 3.794 4.170 -0.001 0.000 0.241 1104 I C 2.527 178.758 176.117 0.190 0.000 1.036 1104 I CA 1.432 62.889 61.300 0.262 0.000 1.300 1104 I CB -0.441 37.587 38.000 0.045 0.000 1.010 1104 I HN 0.126 nan 8.210 nan 0.000 0.406 1105 L N 0.340 121.620 121.223 0.094 0.000 2.083 1105 L HA -0.189 4.150 4.340 -0.001 0.000 0.209 1105 L C 1.972 178.911 176.870 0.116 0.000 1.083 1105 L CA 1.276 56.155 54.840 0.065 0.000 0.752 1105 L CB -0.597 41.473 42.059 0.018 0.000 0.899 1105 L HN 0.311 nan 8.230 nan 0.000 0.433 1106 N N -0.608 118.174 118.700 0.136 0.000 2.515 1106 N HA 0.001 4.741 4.740 -0.001 0.000 0.185 1106 N C 0.099 175.701 175.510 0.154 0.000 1.109 1106 N CA 0.203 53.341 53.050 0.147 0.000 0.903 1106 N CB 0.270 38.833 38.487 0.127 0.000 0.969 1106 N HN -0.052 nan 8.380 nan 0.000 0.450 1107 V N 0.780 120.824 119.914 0.217 0.000 5.881 1107 V HA -0.265 3.854 4.120 -0.001 0.000 0.227 1107 V C 0.289 176.419 176.094 0.060 0.000 0.683 1107 V CA 0.354 62.784 62.300 0.217 0.000 0.747 1107 V CB -2.081 29.862 31.823 0.200 0.000 0.784 1107 V HN 0.411 nan 8.190 nan 0.000 0.430 1108 A N 5.992 128.830 122.820 0.029 0.000 2.666 1108 A HA 0.480 4.799 4.320 -0.001 0.000 0.312 1108 A C 1.407 178.938 177.584 -0.088 0.000 1.471 1108 A CA -0.032 51.997 52.037 -0.013 0.000 1.134 1108 A CB 0.205 19.218 19.000 0.022 0.000 1.129 1108 A HN 0.836 nan 8.150 nan 0.000 0.539 1109 K N 1.774 122.125 120.400 -0.082 0.000 2.585 1109 K HA -0.141 4.178 4.320 -0.001 0.000 0.194 1109 K C -0.212 176.339 176.600 -0.081 0.000 1.037 1109 K CA 1.335 57.562 56.287 -0.099 0.000 0.964 1109 K CB -0.613 31.843 32.500 -0.073 0.000 0.787 1109 K HN 0.854 nan 8.250 nan 0.000 0.488 1110 N N 0.638 119.301 118.700 -0.062 0.000 2.752 1110 N HA 0.153 4.893 4.740 -0.001 0.000 0.260 1110 N C -0.047 175.442 175.510 -0.035 0.000 1.562 1110 N CA -0.664 52.357 53.050 -0.048 0.000 0.788 1110 N CB 0.695 39.161 38.487 -0.034 0.000 1.192 1110 N HN 0.061 nan 8.380 nan 0.000 0.503 1111 M N -0.343 119.229 119.600 -0.046 0.000 2.202 1111 M HA 0.286 4.765 4.480 -0.001 0.000 0.316 1111 M C 0.200 176.492 176.300 -0.014 0.000 1.138 1111 M CA -0.103 55.183 55.300 -0.024 0.000 1.151 1111 M CB 1.383 33.963 32.600 -0.032 0.000 1.422 1111 M HN 0.137 nan 8.290 nan 0.000 0.471 1112 K N 0.139 120.541 120.400 0.004 0.000 2.243 1112 K HA 0.074 4.393 4.320 -0.001 0.000 0.201 1112 K C 0.058 176.656 176.600 -0.004 0.000 1.051 1112 K CA 1.191 57.483 56.287 0.008 0.000 0.970 1112 K CB 0.243 32.762 32.500 0.032 0.000 0.755 1112 K HN 0.853 nan 8.250 nan 0.000 0.465 1113 T N 1.658 116.205 114.554 -0.013 0.000 3.585 1113 T HA 0.271 4.620 4.350 -0.001 0.000 0.252 1113 T C -2.766 171.909 174.700 -0.041 0.000 1.382 1113 T CA -1.556 60.523 62.100 -0.035 0.000 1.584 1113 T CB 1.005 69.839 68.868 -0.056 0.000 0.892 1113 T HN -0.125 nan 8.240 nan 0.000 0.671 1114 P HA 0.483 nan 4.420 nan 0.000 0.274 1114 P C -0.268 177.002 177.300 -0.050 0.000 1.231 1114 P CA -0.134 62.934 63.100 -0.053 0.000 0.790 1114 P CB 0.832 32.495 31.700 -0.062 0.000 0.951 1115 S N 2.139 117.808 115.700 -0.052 0.000 2.542 1115 S HA 0.468 4.937 4.470 -0.001 0.000 0.276 1115 S C -1.757 172.814 174.600 -0.049 0.000 1.148 1115 S CA -0.726 57.449 58.200 -0.042 0.000 0.886 1115 S CB 0.337 63.518 63.200 -0.031 0.000 1.109 1115 S HN 0.107 nan 8.310 nan 0.000 0.458 1116 L N 4.249 125.444 121.223 -0.046 0.000 2.307 1116 L HA 0.579 4.918 4.340 -0.001 0.000 0.282 1116 L C 0.677 177.519 176.870 -0.047 0.000 1.051 1116 L CA -0.113 54.695 54.840 -0.053 0.000 0.804 1116 L CB 1.237 43.264 42.059 -0.055 0.000 1.197 1116 L HN 0.987 nan 8.230 nan 0.000 0.431 1117 T N 0.970 115.498 114.554 -0.042 0.000 2.749 1117 T HA 0.699 5.048 4.350 -0.001 0.000 0.287 1117 T C -0.253 174.262 174.700 -0.309 0.000 0.970 1117 T CA -0.638 61.370 62.100 -0.153 0.000 0.980 1117 T CB 1.280 70.103 68.868 -0.075 0.000 0.924 1117 T HN 0.188 nan 8.240 nan 0.000 0.456 1118 V N 4.211 123.901 119.914 -0.372 0.000 2.628 1118 V HA 0.492 4.611 4.120 -0.001 0.000 0.306 1118 V C -1.103 174.769 176.094 -0.370 0.000 1.045 1118 V CA -1.083 61.045 62.300 -0.287 0.000 0.905 1118 V CB 1.415 33.167 31.823 -0.117 0.000 0.997 1118 V HN 0.939 nan 8.190 nan 0.000 0.436 1119 Y N 3.218 123.525 120.300 0.011 0.000 2.364 1119 Y HA 0.567 5.116 4.550 -0.001 0.000 0.340 1119 Y C -0.004 175.911 175.900 0.025 0.000 0.975 1119 Y CA -0.931 57.175 58.100 0.009 0.000 1.089 1119 Y CB 1.867 40.343 38.460 0.026 0.000 1.192 1119 Y HN 0.421 nan 8.280 nan 0.000 0.454 1120 L N 3.787 125.134 121.223 0.207 0.000 2.467 1120 L HA 0.048 4.388 4.340 -0.001 0.000 0.270 1120 L C 0.596 177.541 176.870 0.125 0.000 1.205 1120 L CA -0.144 54.780 54.840 0.139 0.000 0.828 1120 L CB 0.258 42.403 42.059 0.142 0.000 1.101 1120 L HN 0.614 nan 8.230 nan 0.000 0.479 1121 E N 4.362 124.617 120.200 0.092 0.000 2.467 1121 E HA -0.053 4.296 4.350 -0.001 0.000 0.264 1121 E C -2.369 174.281 176.600 0.083 0.000 1.020 1121 E CA -1.164 55.280 56.400 0.073 0.000 0.945 1121 E CB 0.161 29.889 29.700 0.046 0.000 0.942 1121 E HN 0.277 nan 8.360 nan 0.000 0.449 1122 P HA 0.132 nan 4.420 nan 0.000 0.262 1122 P C -0.313 177.037 177.300 0.084 0.000 1.455 1122 P CA 0.314 63.449 63.100 0.058 0.000 1.217 1122 P CB 0.249 31.969 31.700 0.033 0.000 1.625 1123 G N 0.565 109.434 108.800 0.114 0.000 3.253 1123 G HA2 0.268 4.227 3.960 -0.001 0.000 0.175 1123 G HA3 0.268 4.227 3.960 -0.001 0.000 0.175 1123 G C -0.327 174.636 174.900 0.104 0.000 1.098 1123 G CA -0.444 44.772 45.100 0.193 0.000 0.790 1123 G HN 0.360 nan 8.290 nan 0.000 0.648 1124 H N -1.609 117.485 119.070 0.040 0.000 3.631 1124 H HA -0.241 4.314 4.556 -0.001 0.000 0.202 1124 H C 1.771 177.132 175.328 0.056 0.000 1.029 1124 H CA 1.394 57.465 56.048 0.038 0.000 1.208 1124 H CB -1.044 28.732 29.762 0.023 0.000 1.124 1124 H HN 0.630 nan 8.280 nan 0.000 0.329 1125 A N 0.096 123.007 122.820 0.152 0.000 1.997 1125 A HA 0.519 4.839 4.320 -0.001 0.000 0.212 1125 A C 2.296 180.005 177.584 0.209 0.000 1.178 1125 A CA 0.846 52.978 52.037 0.158 0.000 0.698 1125 A CB -0.270 18.807 19.000 0.129 0.000 0.842 1125 A HN 0.482 nan 8.150 nan 0.000 0.458 1126 A N -0.461 122.468 122.820 0.181 0.000 2.123 1126 A HA 0.055 4.374 4.320 -0.001 0.000 0.214 1126 A C 0.863 178.631 177.584 0.308 0.000 1.152 1126 A CA 0.426 52.619 52.037 0.260 0.000 0.728 1126 A CB -0.349 18.734 19.000 0.138 0.000 0.814 1126 A HN 0.373 nan 8.150 nan 0.000 0.464 1127 D N 0.602 121.093 120.400 0.152 0.000 2.455 1127 D HA -0.070 4.570 4.640 -0.001 0.000 0.265 1127 D C 1.025 177.302 176.300 -0.038 0.000 1.284 1127 D CA 0.229 54.267 54.000 0.063 0.000 0.944 1127 D CB 0.455 41.288 40.800 0.055 0.000 1.121 1127 D HN 0.410 nan 8.370 nan 0.000 0.525 1128 Q N 3.537 123.273 119.800 -0.107 0.000 2.079 1128 Q HA -0.164 4.175 4.340 -0.001 0.000 0.200 1128 Q C 1.466 177.194 176.000 -0.453 0.000 0.974 1128 Q CA 1.059 56.576 55.803 -0.477 0.000 0.840 1128 Q CB 0.149 28.741 28.738 -0.242 0.000 0.898 1128 Q HN 0.658 nan 8.270 nan 0.000 0.430 1129 E N 0.128 120.190 120.200 -0.230 0.000 2.107 1129 E HA -0.214 4.135 4.350 -0.001 0.000 0.191 1129 E C 1.899 178.407 176.600 -0.153 0.000 0.982 1129 E CA 1.045 57.337 56.400 -0.181 0.000 0.809 1129 E CB 0.146 29.784 29.700 -0.103 0.000 0.756 1129 E HN 0.251 nan 8.360 nan 0.000 0.459 1130 Q N 1.063 120.799 119.800 -0.106 0.000 2.065 1130 Q HA -0.238 4.101 4.340 -0.001 0.000 0.213 1130 Q C 1.869 177.808 176.000 -0.100 0.000 1.012 1130 Q CA 2.875 58.641 55.803 -0.062 0.000 0.876 1130 Q CB -0.768 27.972 28.738 0.004 0.000 0.954 1130 Q HN 0.262 nan 8.270 nan 0.000 0.413 1131 A N -0.172 122.547 122.820 -0.169 0.000 2.019 1131 A HA -0.170 4.150 4.320 -0.001 0.000 0.219 1131 A C 1.981 179.461 177.584 -0.174 0.000 1.164 1131 A CA 1.594 53.534 52.037 -0.161 0.000 0.644 1131 A CB -0.450 18.415 19.000 -0.225 0.000 0.805 1131 A HN 0.454 nan 8.150 nan 0.000 0.449 1132 K N -0.298 119.971 120.400 -0.218 0.000 2.097 1132 K HA -0.015 4.304 4.320 -0.001 0.000 0.205 1132 K C 1.745 178.270 176.600 -0.125 0.000 1.050 1132 K CA 1.254 57.428 56.287 -0.188 0.000 0.938 1132 K CB -0.329 32.053 32.500 -0.198 0.000 0.718 1132 K HN 0.494 nan 8.250 nan 0.000 0.442 1133 L N 0.453 121.615 121.223 -0.102 0.000 2.083 1133 L HA -0.183 4.156 4.340 -0.001 0.000 0.209 1133 L C 2.151 178.986 176.870 -0.057 0.000 1.083 1133 L CA 0.938 55.736 54.840 -0.071 0.000 0.752 1133 L CB -0.523 41.502 42.059 -0.058 0.000 0.899 1133 L HN 0.122 nan 8.230 nan 0.000 0.433 1134 I N -0.652 119.885 120.570 -0.055 0.000 2.315 1134 I HA -0.203 3.966 4.170 -0.001 0.000 0.248 1134 I C 2.755 178.847 176.117 -0.041 0.000 1.117 1134 I CA 1.078 62.355 61.300 -0.039 0.000 1.404 1134 I CB -0.570 37.414 38.000 -0.027 0.000 1.071 1134 I HN 0.150 nan 8.210 nan 0.000 0.419 1135 R N 0.754 121.217 120.500 -0.062 0.000 2.105 1135 R HA -0.156 4.184 4.340 -0.001 0.000 0.239 1135 R C 2.315 178.589 176.300 -0.043 0.000 1.135 1135 R CA 1.987 58.049 56.100 -0.063 0.000 0.967 1135 R CB -0.278 29.952 30.300 -0.116 0.000 0.861 1135 R HN 0.539 nan 8.270 nan 0.000 0.442 1136 S N -1.296 114.374 115.700 -0.050 0.000 2.503 1136 S HA 0.145 4.614 4.470 -0.001 0.000 0.217 1136 S C 1.606 176.194 174.600 -0.019 0.000 0.999 1136 S CA 0.356 58.537 58.200 -0.032 0.000 0.914 1136 S CB 0.556 63.729 63.200 -0.046 0.000 0.782 1136 S HN 0.299 nan 8.310 nan 0.000 0.520 1137 A N 0.900 123.707 122.820 -0.021 0.000 2.278 1137 A HA 0.491 4.810 4.320 -0.001 0.000 0.212 1137 A C 1.497 179.080 177.584 -0.002 0.000 1.213 1137 A CA 0.311 52.340 52.037 -0.014 0.000 0.840 1137 A CB -0.589 18.399 19.000 -0.019 0.000 0.866 1137 A HN 0.716 nan 8.150 nan 0.000 0.489 1138 I N -3.895 116.677 120.570 0.003 0.000 4.607 1138 I HA 0.250 4.419 4.170 -0.001 0.000 0.324 1138 I C 0.596 176.735 176.117 0.038 0.000 1.279 1138 I CA -0.258 61.050 61.300 0.014 0.000 1.286 1138 I CB -0.325 37.676 38.000 0.001 0.000 1.265 1138 I HN 0.105 nan 8.210 nan 0.000 0.446 1139 E N 3.022 123.247 120.200 0.042 0.000 2.383 1139 E HA -0.104 4.246 4.350 -0.001 0.000 0.257 1139 E C -0.270 176.377 176.600 0.079 0.000 1.079 1139 E CA -0.107 56.331 56.400 0.064 0.000 0.934 1139 E CB 0.097 29.843 29.700 0.076 0.000 0.978 1139 E HN 0.346 nan 8.360 nan 0.000 0.462 1140 H N 3.281 122.345 119.070 -0.011 0.000 3.004 1140 H HA 0.047 4.602 4.556 -0.001 0.000 0.316 1140 H C -0.989 174.328 175.328 -0.019 0.000 1.014 1140 H CA 0.397 56.434 56.048 -0.019 0.000 1.454 1140 H CB 0.537 30.286 29.762 -0.023 0.000 1.472 1140 H HN 0.282 nan 8.280 nan 0.000 0.571 1141 T N 5.474 119.766 114.554 -0.436 0.000 3.009 1141 T HA 0.216 4.566 4.350 -0.001 0.000 0.346 1141 T C -0.286 174.183 174.700 -0.386 0.000 1.092 1141 T CA -0.770 61.122 62.100 -0.347 0.000 1.080 1141 T CB 0.059 68.840 68.868 -0.145 0.000 1.037 1141 T HN 0.718 nan 8.240 nan 0.000 0.487 1142 T N 1.202 115.500 114.554 -0.428 0.000 2.899 1142 T HA 0.310 4.659 4.350 -0.001 0.000 0.295 1142 T C 1.398 176.019 174.700 -0.133 0.000 1.033 1142 T CA -0.917 61.032 62.100 -0.252 0.000 1.084 1142 T CB 0.955 69.717 68.868 -0.176 0.000 0.979 1142 T HN 0.208 nan 8.240 nan 0.000 0.532 1143 L N 1.238 122.412 121.223 -0.081 0.000 2.079 1143 L HA 0.001 4.340 4.340 -0.001 0.000 0.210 1143 L C 2.516 179.360 176.870 -0.042 0.000 1.081 1143 L CA 1.821 56.630 54.840 -0.053 0.000 0.752 1143 L CB -1.066 40.976 42.059 -0.027 0.000 0.896 1143 L HN 0.899 nan 8.230 nan 0.000 0.433 1144 K N -0.419 119.958 120.400 -0.038 0.000 2.044 1144 K HA -0.221 4.098 4.320 -0.001 0.000 0.210 1144 K C 2.054 178.633 176.600 -0.035 0.000 1.049 1144 K CA 1.869 58.141 56.287 -0.026 0.000 0.927 1144 K CB -0.352 32.136 32.500 -0.020 0.000 0.713 1144 K HN 0.595 nan 8.250 nan 0.000 0.443 1145 S N -0.459 115.207 115.700 -0.057 0.000 2.584 1145 S HA -0.065 4.405 4.470 -0.001 0.000 0.240 1145 S C 1.446 176.016 174.600 -0.049 0.000 0.975 1145 S CA 1.084 59.249 58.200 -0.059 0.000 0.949 1145 S CB -0.148 63.000 63.200 -0.086 0.000 0.761 1145 S HN 0.229 nan 8.310 nan 0.000 0.536 1146 V N -0.360 119.528 119.914 -0.044 0.000 3.572 1146 V HA 0.224 4.344 4.120 -0.001 0.000 0.260 1146 V C 1.125 177.205 176.094 -0.023 0.000 1.324 1146 V CA 0.260 62.538 62.300 -0.037 0.000 1.068 1146 V CB -0.891 30.905 31.823 -0.045 0.000 0.837 1146 V HN 0.638 nan 8.190 nan 0.000 0.450 1147 T N -0.959 113.585 114.554 -0.016 0.000 2.897 1147 T HA 0.492 4.841 4.350 -0.001 0.000 0.294 1147 T C 1.001 175.700 174.700 -0.001 0.000 1.004 1147 T CA -0.335 61.761 62.100 -0.005 0.000 1.106 1147 T CB 1.649 70.518 68.868 0.002 0.000 0.949 1147 T HN -0.059 nan 8.240 nan 0.000 0.520 1148 I N 1.675 122.248 120.570 0.004 0.000 2.315 1148 I HA 0.261 4.430 4.170 -0.001 0.000 0.233 1148 I C 1.557 177.684 176.117 0.016 0.000 1.067 1148 I CA 0.644 61.949 61.300 0.009 0.000 1.376 1148 I CB -1.460 36.547 38.000 0.011 0.000 1.143 1148 I HN 0.883 nan 8.210 nan 0.000 0.421 1149 A N 0.529 123.362 122.820 0.023 0.000 2.374 1149 A HA 0.588 4.907 4.320 -0.001 0.000 0.317 1149 A C -0.187 177.418 177.584 0.035 0.000 1.094 1149 A CA -0.295 51.762 52.037 0.034 0.000 0.765 1149 A CB 1.153 20.180 19.000 0.045 0.000 1.268 1149 A HN 0.349 nan 8.150 nan 0.000 0.438 1150 S N 1.754 117.480 115.700 0.043 0.000 2.456 1150 S HA 0.654 5.123 4.470 -0.001 0.000 0.316 1150 S C -0.761 173.884 174.600 0.076 0.000 1.089 1150 S CA -0.512 57.718 58.200 0.049 0.000 1.101 1150 S CB 0.808 64.035 63.200 0.045 0.000 0.995 1150 S HN 0.654 nan 8.310 nan 0.000 0.468 1151 E N 2.809 123.066 120.200 0.094 0.000 2.238 1151 E HA 0.513 4.862 4.350 -0.001 0.000 0.267 1151 E C -0.956 175.783 176.600 0.232 0.000 0.887 1151 E CA -0.749 55.762 56.400 0.185 0.000 0.769 1151 E CB 2.127 31.999 29.700 0.286 0.000 1.187 1151 E HN 0.645 nan 8.360 nan 0.000 0.416 1152 I N 2.833 123.578 120.570 0.291 0.000 2.354 1152 I HA 0.317 4.486 4.170 -0.001 0.000 0.292 1152 I C -1.103 175.305 176.117 0.486 0.000 0.989 1152 I CA -0.698 60.798 61.300 0.327 0.000 1.188 1152 I CB 0.532 38.645 38.000 0.188 0.000 1.342 1152 I HN 0.399 nan 8.210 nan 0.000 0.457 1153 Y N 4.796 125.221 120.300 0.210 0.000 2.485 1153 Y HA 0.304 4.853 4.550 -0.001 0.000 0.345 1153 Y C -0.578 175.495 175.900 0.287 0.000 0.998 1153 Y CA -1.144 57.086 58.100 0.217 0.000 1.059 1153 Y CB 1.728 40.264 38.460 0.127 0.000 1.234 1153 Y HN 0.369 nan 8.280 nan 0.000 0.461 1154 Y N 3.184 123.607 120.300 0.205 0.000 2.535 1154 Y HA 0.334 4.883 4.550 -0.001 0.000 0.349 1154 Y C -0.663 175.230 175.900 -0.012 0.000 0.992 1154 Y CA -0.153 57.924 58.100 -0.038 0.000 1.248 1154 Y CB 0.297 38.619 38.460 -0.229 0.000 1.124 1154 Y HN 0.506 nan 8.280 nan 0.000 0.520 1155 D N 9.062 129.326 120.400 -0.227 0.000 2.420 1155 D HA 0.241 4.881 4.640 -0.001 0.000 0.255 1155 D C -2.048 174.044 176.300 -0.348 0.000 1.185 1155 D CA -2.278 51.642 54.000 -0.133 0.000 0.904 1155 D CB 1.760 42.565 40.800 0.008 0.000 1.102 1155 D HN 0.296 nan 8.370 nan 0.000 0.534 1156 P HA -0.059 nan 4.420 nan 0.000 0.213 1156 P C 0.344 177.525 177.300 -0.199 0.000 1.169 1156 P CA 0.454 63.313 63.100 -0.402 0.000 0.885 1156 P CB 0.323 31.925 31.700 -0.163 0.000 0.779 1157 D N 0.791 121.127 120.400 -0.106 0.000 2.383 1157 D HA 0.074 4.714 4.640 -0.001 0.000 0.245 1157 D C -1.662 174.599 176.300 -0.065 0.000 1.263 1157 D CA -2.150 51.808 54.000 -0.069 0.000 0.936 1157 D CB 0.398 41.177 40.800 -0.035 0.000 1.053 1157 D HN 0.003 nan 8.370 nan 0.000 0.507 1158 P HA -0.059 nan 4.420 nan 0.000 0.229 1158 P C 1.037 178.321 177.300 -0.028 0.000 1.150 1158 P CA 0.536 63.602 63.100 -0.056 0.000 0.765 1158 P CB 0.314 31.966 31.700 -0.080 0.000 0.783 1159 R N -1.542 118.942 120.500 -0.027 0.000 2.265 1159 R HA 0.274 4.613 4.340 -0.001 0.000 0.194 1159 R C 0.155 176.454 176.300 -0.000 0.000 0.931 1159 R CA 0.479 56.574 56.100 -0.008 0.000 1.032 1159 R CB 0.211 30.504 30.300 -0.011 0.000 0.980 1159 R HN 0.084 nan 8.270 nan 0.000 0.497 1160 S N 0.510 116.207 115.700 -0.005 0.000 2.736 1160 S HA 0.259 4.728 4.470 -0.001 0.000 0.285 1160 S C -0.513 174.091 174.600 0.006 0.000 1.163 1160 S CA -0.593 57.608 58.200 0.002 0.000 1.025 1160 S CB 2.570 65.771 63.200 0.002 0.000 1.030 1160 S HN 0.011 nan 8.310 nan 0.000 0.486 1161 T N 1.883 116.446 114.554 0.014 0.000 2.856 1161 T HA 0.160 4.509 4.350 -0.001 0.000 0.306 1161 T C 1.639 176.366 174.700 0.045 0.000 1.062 1161 T CA -0.553 61.563 62.100 0.027 0.000 1.083 1161 T CB 0.672 69.555 68.868 0.025 0.000 0.984 1161 T HN 0.343 nan 8.240 nan 0.000 0.542 1162 V N 0.932 120.892 119.914 0.077 0.000 2.535 1162 V HA 0.056 4.175 4.120 -0.001 0.000 0.246 1162 V C 1.022 177.180 176.094 0.106 0.000 1.045 1162 V CA 0.930 63.289 62.300 0.098 0.000 1.058 1162 V CB -0.641 31.264 31.823 0.137 0.000 0.689 1162 V HN 0.700 nan 8.190 nan 0.000 0.461 1163 I N 2.376 123.021 120.570 0.125 0.000 2.496 1163 I HA 0.136 4.305 4.170 -0.001 0.000 0.285 1163 I C -0.936 175.219 176.117 0.063 0.000 1.080 1163 I CA -1.322 60.047 61.300 0.115 0.000 1.404 1163 I CB 0.436 38.496 38.000 0.100 0.000 1.403 1163 I HN 0.069 nan 8.210 nan 0.000 0.539 1164 P HA -0.063 nan 4.420 nan 0.000 0.221 1164 P C 1.128 178.446 177.300 0.029 0.000 1.155 1164 P CA 1.001 64.123 63.100 0.038 0.000 0.812 1164 P CB 0.324 32.046 31.700 0.037 0.000 0.801 1165 E N 0.021 120.241 120.200 0.033 0.000 2.070 1165 E HA -0.145 4.204 4.350 -0.001 0.000 0.197 1165 E C 0.780 177.390 176.600 0.015 0.000 1.004 1165 E CA 1.094 57.508 56.400 0.024 0.000 0.805 1165 E CB -0.097 29.619 29.700 0.026 0.000 0.744 1165 E HN 0.329 nan 8.360 nan 0.000 0.451 1166 D N -0.937 119.469 120.400 0.010 0.000 2.182 1166 D HA -0.072 4.568 4.640 -0.001 0.000 0.284 1166 D C 1.332 177.638 176.300 0.010 0.000 1.152 1166 D CA 0.357 54.361 54.000 0.005 0.000 1.032 1166 D CB 0.074 40.868 40.800 -0.009 0.000 1.140 1166 D HN 0.091 nan 8.370 nan 0.000 0.505 1167 E N -0.248 119.957 120.200 0.008 0.000 4.256 1167 E HA -0.293 4.056 4.350 -0.001 0.000 0.163 1167 E C 1.188 177.790 176.600 0.002 0.000 1.088 1167 E CA 1.531 57.936 56.400 0.008 0.000 2.592 1167 E CB -1.380 28.326 29.700 0.010 0.000 1.651 1167 E HN 0.504 nan 8.360 nan 0.000 0.548 1168 E N 0.580 120.779 120.200 -0.000 0.000 2.274 1168 E HA -0.068 4.282 4.350 -0.001 0.000 0.194 1168 E C 2.160 178.757 176.600 -0.006 0.000 0.996 1168 E CA 1.023 57.417 56.400 -0.009 0.000 0.840 1168 E CB -0.149 29.546 29.700 -0.009 0.000 0.772 1168 E HN 0.417 nan 8.360 nan 0.000 0.491 1169 I N 1.140 121.714 120.570 0.007 0.000 3.001 1169 I HA -0.206 3.963 4.170 -0.001 0.000 0.268 1169 I C 1.748 177.882 176.117 0.027 0.000 1.267 1169 I CA 0.539 61.851 61.300 0.019 0.000 1.472 1169 I CB 0.075 38.092 38.000 0.030 0.000 1.089 1169 I HN 0.179 nan 8.210 nan 0.000 0.468 1170 I N -1.252 119.331 120.570 0.021 0.000 3.462 1170 I HA -0.041 4.128 4.170 -0.001 0.000 0.290 1170 I C 2.121 178.259 176.117 0.035 0.000 1.236 1170 I CA 0.544 61.867 61.300 0.040 0.000 1.418 1170 I CB -1.051 36.968 38.000 0.032 0.000 1.102 1170 I HN 0.267 nan 8.210 nan 0.000 0.441 1171 Q N 1.450 121.241 119.800 -0.015 0.000 2.050 1171 Q HA -0.089 4.250 4.340 -0.001 0.000 0.202 1171 Q C 0.994 176.921 176.000 -0.122 0.000 0.980 1171 Q CA 1.273 57.025 55.803 -0.085 0.000 0.840 1171 Q CB -0.081 28.589 28.738 -0.114 0.000 0.898 1171 Q HN 0.527 nan 8.270 nan 0.000 0.424 1172 L N -2.964 118.220 121.223 -0.064 0.000 2.479 1172 L HA 0.288 4.627 4.340 -0.001 0.000 0.248 1172 L C -0.264 176.669 176.870 0.105 0.000 1.205 1172 L CA -0.665 54.171 54.840 -0.006 0.000 0.817 1172 L CB 0.046 42.064 42.059 -0.068 0.000 1.162 1172 L HN 0.285 nan 8.230 nan 0.000 0.486 1173 H N -0.452 118.676 119.070 0.097 0.000 2.677 1173 H HA -0.220 4.335 4.556 -0.001 0.000 0.321 1173 H C -0.381 175.057 175.328 0.184 0.000 1.171 1173 H CA 1.030 57.108 56.048 0.050 0.000 1.139 1173 H CB -1.205 28.475 29.762 -0.137 0.000 1.515 1173 H HN 0.639 nan 8.280 nan 0.000 0.423 1174 F N -0.215 119.784 119.950 0.080 0.000 2.963 1174 F HA 0.360 4.887 4.527 -0.001 0.000 0.321 1174 F C 0.081 175.910 175.800 0.048 0.000 1.234 1174 F CA -0.111 57.922 58.000 0.055 0.000 1.296 1174 F CB 0.265 39.278 39.000 0.022 0.000 0.981 1174 F HN 0.171 nan 8.300 nan 0.000 0.507 1175 S N 0.527 116.151 115.700 -0.126 0.000 3.644 1175 S HA -0.220 4.249 4.470 -0.001 0.000 0.584 1175 S C -0.586 173.833 174.600 -0.301 0.000 0.658 1175 S CA 0.071 58.156 58.200 -0.191 0.000 1.414 1175 S CB -1.964 61.125 63.200 -0.185 0.000 0.901 1175 S HN 0.888 nan 8.310 nan 0.000 0.867 1188 Q N -0.019 119.724 119.800 -0.094 0.000 2.164 1188 Q HA 0.593 4.932 4.340 -0.001 0.000 0.165 1188 Q C -0.530 175.440 176.000 -0.050 0.000 0.570 1188 Q CA 0.398 56.146 55.803 -0.091 0.000 0.759 1188 Q CB 1.302 29.966 28.738 -0.123 0.000 1.059 1188 Q HN 0.123 nan 8.270 nan 0.000 0.464 1189 S N -0.648 115.020 115.700 -0.053 0.000 2.675 1189 S HA 0.176 4.645 4.470 -0.001 0.000 0.297 1189 S C -2.613 171.926 174.600 -0.102 0.000 1.035 1189 S CA -0.914 57.267 58.200 -0.030 0.000 0.852 1189 S CB 1.255 64.480 63.200 0.042 0.000 1.051 1189 S HN 0.077 nan 8.310 nan 0.000 0.451 1190 P HA 0.184 nan 4.420 nan 0.000 0.230 1190 P C -0.160 176.829 177.300 -0.518 0.000 1.168 1190 P CA 0.351 63.152 63.100 -0.498 0.000 0.793 1190 P CB -0.050 31.174 31.700 -0.792 0.000 0.851 1191 W N 1.342 122.545 121.300 -0.162 0.000 2.433 1191 W HA 0.333 4.992 4.660 -0.001 0.000 0.331 1191 W C 0.606 177.106 176.519 -0.031 0.000 1.110 1191 W CA -0.930 56.373 57.345 -0.070 0.000 1.450 1191 W CB -0.023 29.438 29.460 0.003 0.000 1.348 1191 W HN -0.094 nan 8.180 nan 0.000 0.415 1192 L N 4.740 126.080 121.223 0.195 0.000 2.472 1192 L HA 0.451 4.790 4.340 -0.001 0.000 0.260 1192 L C -0.494 176.471 176.870 0.158 0.000 1.209 1192 L CA -0.365 54.553 54.840 0.131 0.000 0.817 1192 L CB 0.561 42.674 42.059 0.090 0.000 1.106 1192 L HN 0.331 nan 8.230 nan 0.000 0.479 1193 L N 4.087 125.358 121.223 0.080 0.000 2.457 1193 L HA 0.506 4.845 4.340 -0.001 0.000 0.266 1193 L C -0.927 175.949 176.870 0.010 0.000 0.979 1193 L CA -0.313 54.568 54.840 0.068 0.000 0.857 1193 L CB 1.004 43.098 42.059 0.058 0.000 1.213 1193 L HN 0.693 nan 8.230 nan 0.000 0.418 1194 R N 4.911 125.389 120.500 -0.037 0.000 2.407 1194 R HA 0.700 5.040 4.340 -0.001 0.000 0.303 1194 R C -1.637 174.637 176.300 -0.043 0.000 0.981 1194 R CA -0.678 55.360 56.100 -0.104 0.000 0.905 1194 R CB 1.086 31.201 30.300 -0.310 0.000 1.099 1194 R HN 0.799 nan 8.270 nan 0.000 0.459 1195 L N 3.182 124.393 121.223 -0.020 0.000 2.362 1195 L HA 0.415 4.754 4.340 -0.001 0.000 0.275 1195 L C -0.398 176.474 176.870 0.004 0.000 0.998 1195 L CA -0.538 54.306 54.840 0.005 0.000 0.820 1195 L CB 2.111 44.184 42.059 0.023 0.000 1.270 1195 L HN 0.624 nan 8.230 nan 0.000 0.415 1196 E N 3.752 123.956 120.200 0.007 0.000 2.151 1196 E HA 0.521 4.870 4.350 -0.001 0.000 0.275 1196 E C -1.253 175.352 176.600 0.008 0.000 0.936 1196 E CA -0.549 55.856 56.400 0.008 0.000 0.777 1196 E CB 1.408 31.114 29.700 0.011 0.000 1.108 1196 E HN 0.459 nan 8.360 nan 0.000 0.401 1197 L N 2.494 123.720 121.223 0.006 0.000 2.358 1197 L HA 0.412 4.751 4.340 -0.001 0.000 0.268 1197 L C -0.024 176.844 176.870 -0.003 0.000 1.032 1197 L CA -0.944 53.894 54.840 -0.002 0.000 0.805 1197 L CB 1.250 43.303 42.059 -0.009 0.000 1.253 1197 L HN 0.556 nan 8.230 nan 0.000 0.452 1198 D N 0.150 120.544 120.400 -0.009 0.000 2.193 1198 D HA 0.185 4.825 4.640 -0.001 0.000 0.244 1198 D C 0.573 176.867 176.300 -0.011 0.000 1.064 1198 D CA -0.279 53.716 54.000 -0.008 0.000 0.845 1198 D CB 1.502 42.296 40.800 -0.010 0.000 1.148 1198 D HN 0.286 nan 8.370 nan 0.000 0.464 1199 R N 2.487 122.982 120.500 -0.007 0.000 2.276 1199 R HA 0.070 4.409 4.340 -0.001 0.000 0.203 1199 R C 1.384 177.678 176.300 -0.010 0.000 1.017 1199 R CA 0.575 56.670 56.100 -0.009 0.000 1.010 1199 R CB 0.185 30.482 30.300 -0.005 0.000 0.900 1199 R HN 0.549 nan 8.270 nan 0.000 0.469 1200 A N 0.883 123.697 122.820 -0.009 0.000 1.826 1200 A HA -0.050 4.269 4.320 -0.001 0.000 0.214 1200 A C 2.217 179.794 177.584 -0.012 0.000 1.212 1200 A CA 1.419 53.450 52.037 -0.009 0.000 0.605 1200 A CB -0.832 18.162 19.000 -0.009 0.000 0.861 1200 A HN 0.333 nan 8.150 nan 0.000 0.447 1201 A N -1.294 121.516 122.820 -0.017 0.000 2.125 1201 A HA -0.069 4.250 4.320 -0.001 0.000 0.219 1201 A C 1.932 179.502 177.584 -0.023 0.000 1.156 1201 A CA 1.717 53.741 52.037 -0.021 0.000 0.671 1201 A CB -0.509 18.474 19.000 -0.028 0.000 0.794 1201 A HN 0.444 nan 8.150 nan 0.000 0.459 1202 M N -0.059 119.527 119.600 -0.025 0.000 2.619 1202 M HA 0.032 4.511 4.480 -0.001 0.000 0.251 1202 M C 0.672 176.957 176.300 -0.026 0.000 1.106 1202 M CA 0.726 56.007 55.300 -0.030 0.000 1.086 1202 M CB -0.889 31.692 32.600 -0.032 0.000 1.465 1202 M HN 0.447 nan 8.290 nan 0.000 0.506 1203 N N -0.690 118.000 118.700 -0.017 0.000 2.166 1203 N HA -0.025 4.714 4.740 -0.001 0.000 0.213 1203 N C 1.007 176.515 175.510 -0.004 0.000 1.222 1203 N CA 0.014 53.056 53.050 -0.013 0.000 0.900 1203 N CB 0.933 39.414 38.487 -0.011 0.000 1.055 1203 N HN 0.278 nan 8.380 nan 0.000 0.515 1204 D N 1.814 122.216 120.400 0.005 0.000 2.087 1204 D HA 0.001 4.640 4.640 -0.001 0.000 0.201 1204 D C 0.176 176.496 176.300 0.033 0.000 0.980 1204 D CA 1.155 55.174 54.000 0.032 0.000 0.849 1204 D CB 0.444 41.264 40.800 0.032 0.000 1.001 1204 D HN 0.044 nan 8.370 nan 0.000 0.452 1205 K N 0.838 121.247 120.400 0.016 0.000 2.237 1205 K HA 0.160 4.479 4.320 -0.001 0.000 0.270 1205 K C -0.763 175.825 176.600 -0.020 0.000 1.015 1205 K CA -0.143 56.145 56.287 0.001 0.000 0.949 1205 K CB 0.739 33.230 32.500 -0.015 0.000 0.976 1205 K HN -0.016 nan 8.250 nan 0.000 0.472 1206 D N 2.452 122.834 120.400 -0.030 0.000 2.393 1206 D HA 0.195 4.834 4.640 -0.001 0.000 0.232 1206 D C -0.898 175.373 176.300 -0.047 0.000 1.192 1206 D CA 0.110 54.087 54.000 -0.038 0.000 0.882 1206 D CB 0.163 40.937 40.800 -0.042 0.000 1.038 1206 D HN 0.110 nan 8.370 nan 0.000 0.499 1207 L N 2.422 123.614 121.223 -0.051 0.000 2.441 1207 L HA 0.370 4.709 4.340 -0.001 0.000 0.270 1207 L C 0.007 176.831 176.870 -0.077 0.000 0.973 1207 L CA -0.833 53.966 54.840 -0.068 0.000 0.842 1207 L CB 1.977 43.993 42.059 -0.070 0.000 1.239 1207 L HN 0.302 nan 8.230 nan 0.000 0.406 1208 T N -0.707 113.790 114.554 -0.095 0.000 2.882 1208 T HA 0.285 4.634 4.350 -0.001 0.000 0.287 1208 T C 1.380 175.972 174.700 -0.179 0.000 0.992 1208 T CA -0.867 61.166 62.100 -0.111 0.000 1.076 1208 T CB 1.696 70.504 68.868 -0.101 0.000 0.961 1208 T HN 0.399 nan 8.240 nan 0.000 0.490 1209 M N 2.185 121.669 119.600 -0.193 0.000 2.089 1209 M HA -0.098 4.381 4.480 -0.001 0.000 0.257 1209 M C 2.633 178.546 176.300 -0.644 0.000 1.071 1209 M CA 2.244 57.356 55.300 -0.314 0.000 1.096 1209 M CB -1.850 30.626 32.600 -0.207 0.000 1.330 1209 M HN 1.006 nan 8.290 nan 0.000 0.403 1210 G N -0.268 108.173 108.800 -0.598 0.000 2.513 1210 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.219 1210 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.219 1210 G C 1.444 176.009 174.900 -0.558 0.000 1.160 1210 G CA 1.085 45.778 45.100 -0.678 0.000 0.767 1210 G HN 0.544 nan 8.290 nan 0.000 0.571 1211 Q N -0.350 119.253 119.800 -0.329 0.000 2.030 1211 Q HA -0.118 4.221 4.340 -0.001 0.000 0.204 1211 Q C 2.933 178.777 176.000 -0.261 0.000 0.986 1211 Q CA 1.814 57.480 55.803 -0.229 0.000 0.843 1211 Q CB -0.369 28.277 28.738 -0.154 0.000 0.904 1211 Q HN 0.407 nan 8.270 nan 0.000 0.420 1212 V N 0.459 120.194 119.914 -0.298 0.000 2.252 1212 V HA -0.292 3.827 4.120 -0.001 0.000 0.249 1212 V C 2.213 178.156 176.094 -0.252 0.000 1.056 1212 V CA 2.103 64.261 62.300 -0.237 0.000 1.022 1212 V CB -1.486 30.208 31.823 -0.215 0.000 0.641 1212 V HN 0.578 nan 8.190 nan 0.000 0.445 1213 G N -0.473 108.024 108.800 -0.505 0.000 2.433 1213 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.216 1213 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.216 1213 G C 1.417 176.247 174.900 -0.118 0.000 1.186 1213 G CA 0.655 45.529 45.100 -0.378 0.000 0.779 1213 G HN 0.482 nan 8.290 nan 0.000 0.543 1214 E N 0.080 120.155 120.200 -0.208 0.000 2.401 1214 E HA -0.089 4.260 4.350 -0.001 0.000 0.199 1214 E C 2.511 179.104 176.600 -0.012 0.000 1.023 1214 E CA 0.516 56.907 56.400 -0.014 0.000 0.859 1214 E CB 0.030 29.717 29.700 -0.023 0.000 0.780 1214 E HN 0.252 nan 8.360 nan 0.000 0.523 1215 R N 0.412 120.881 120.500 -0.053 0.000 2.112 1215 R HA 0.140 4.479 4.340 -0.001 0.000 0.216 1215 R C 2.165 178.456 176.300 -0.015 0.000 1.080 1215 R CA 0.443 56.518 56.100 -0.041 0.000 0.996 1215 R CB -0.394 29.867 30.300 -0.065 0.000 0.902 1215 R HN 0.100 nan 8.270 nan 0.000 0.449 1216 I N 0.624 121.206 120.570 0.021 0.000 2.113 1216 I HA -0.308 3.861 4.170 -0.001 0.000 0.238 1216 I C 2.132 178.371 176.117 0.205 0.000 1.070 1216 I CA 1.518 62.885 61.300 0.112 0.000 1.332 1216 I CB -0.269 37.827 38.000 0.159 0.000 1.044 1216 I HN 0.129 nan 8.210 nan 0.000 0.402 1217 K N 0.669 121.187 120.400 0.198 0.000 2.015 1217 K HA -0.287 4.032 4.320 -0.001 0.000 0.216 1217 K C 1.778 178.487 176.600 0.181 0.000 1.052 1217 K CA 2.210 58.625 56.287 0.213 0.000 0.937 1217 K CB -0.380 32.222 32.500 0.170 0.000 0.719 1217 K HN 0.486 nan 8.250 nan 0.000 0.446 1218 Q N 0.496 120.349 119.800 0.088 0.000 2.408 1218 Q HA -0.027 4.312 4.340 -0.001 0.000 0.214 1218 Q C 0.258 176.242 176.000 -0.027 0.000 0.957 1218 Q CA 1.096 56.924 55.803 0.041 0.000 0.965 1218 Q CB -0.025 28.725 28.738 0.021 0.000 0.991 1218 Q HN 0.238 nan 8.270 nan 0.000 0.505 1219 T N -3.507 110.990 114.554 -0.095 0.000 2.985 1219 T HA 0.211 4.560 4.350 -0.001 0.000 0.254 1219 T C 0.516 174.964 174.700 -0.419 0.000 1.021 1219 T CA -0.056 61.835 62.100 -0.348 0.000 0.957 1219 T CB 0.081 68.600 68.868 -0.582 0.000 1.047 1219 T HN 0.430 nan 8.240 nan 0.000 0.511 1220 F N 1.028 120.989 119.950 0.019 0.000 1.992 1220 F HA 0.304 4.831 4.527 -0.001 0.000 0.291 1220 F C 0.897 176.713 175.800 0.028 0.000 0.983 1220 F CA -0.497 57.515 58.000 0.021 0.000 1.181 1220 F CB -0.767 38.244 39.000 0.020 0.000 1.419 1220 F HN 0.122 nan 8.300 nan 0.000 0.616 1221 K N 1.246 121.873 120.400 0.379 0.000 3.186 1221 K HA -0.360 3.959 4.320 -0.001 0.000 0.302 1221 K C -0.205 176.466 176.600 0.118 0.000 1.160 1221 K CA 2.358 58.759 56.287 0.190 0.000 0.911 1221 K CB -3.145 29.451 32.500 0.160 0.000 1.228 1221 K HN 0.615 nan 8.250 nan 0.000 0.430 1222 N N 0.300 119.061 118.700 0.103 0.000 2.187 1222 N HA 0.152 4.891 4.740 -0.001 0.000 0.212 1222 N C -0.529 175.002 175.510 0.034 0.000 1.152 1222 N CA 0.273 53.362 53.050 0.065 0.000 0.872 1222 N CB 0.699 39.222 38.487 0.060 0.000 1.025 1222 N HN 0.687 nan 8.380 nan 0.000 0.514 1223 D N -1.162 119.242 120.400 0.007 0.000 2.640 1223 D HA 0.152 4.791 4.640 -0.001 0.000 0.282 1223 D C -0.758 175.452 176.300 -0.150 0.000 1.558 1223 D CA -0.326 53.643 54.000 -0.051 0.000 0.820 1223 D CB 0.065 40.839 40.800 -0.043 0.000 1.243 1223 D HN -0.117 nan 8.370 nan 0.000 0.456 1224 L N 1.101 122.247 121.223 -0.129 0.000 2.620 1224 L HA 0.465 4.804 4.340 -0.001 0.000 0.261 1224 L C -1.830 175.035 176.870 -0.009 0.000 0.978 1224 L CA -0.853 53.886 54.840 -0.167 0.000 0.897 1224 L CB 1.305 43.067 42.059 -0.495 0.000 1.207 1224 L HN 0.087 nan 8.230 nan 0.000 0.425 1225 F N 5.191 125.075 119.950 -0.110 0.000 2.467 1225 F HA 0.589 5.115 4.527 -0.001 0.000 0.362 1225 F C -0.328 175.404 175.800 -0.114 0.000 1.090 1225 F CA 0.034 57.971 58.000 -0.106 0.000 1.202 1225 F CB 0.774 39.709 39.000 -0.108 0.000 1.113 1225 F HN 0.173 nan 8.300 nan 0.000 0.541 1226 V N 8.029 127.496 119.914 -0.745 0.000 2.483 1226 V HA 0.433 4.552 4.120 -0.001 0.000 0.297 1226 V C -0.088 175.443 176.094 -0.938 0.000 1.027 1226 V CA -0.722 61.258 62.300 -0.534 0.000 0.855 1226 V CB 1.442 33.193 31.823 -0.120 0.000 0.995 1226 V HN 0.580 nan 8.190 nan 0.000 0.424 1227 I N 3.904 124.054 120.570 -0.700 0.000 2.947 1227 I HA 0.821 4.990 4.170 -0.001 0.000 0.314 1227 I C -0.675 175.240 176.117 -0.336 0.000 1.028 1227 I CA -0.357 60.438 61.300 -0.841 0.000 1.077 1227 I CB 1.887 39.623 38.000 -0.441 0.000 1.274 1227 I HN 0.811 nan 8.210 nan 0.000 0.485 1228 W N 0.927 122.229 121.300 0.003 0.000 3.153 1228 W HA 0.698 5.358 4.660 -0.001 0.000 0.316 1228 W C -0.860 175.704 176.519 0.075 0.000 1.255 1228 W CA -1.070 56.295 57.345 0.033 0.000 1.192 1228 W CB 0.195 29.669 29.460 0.023 0.000 1.400 1228 W HN 0.427 nan 8.180 nan 0.000 0.568 1229 S N 0.509 116.402 115.700 0.323 0.000 2.596 1229 S HA 0.236 4.705 4.470 -0.001 0.000 0.260 1229 S C 0.006 174.748 174.600 0.237 0.000 1.336 1229 S CA -0.067 58.254 58.200 0.201 0.000 0.993 1229 S CB 0.671 63.940 63.200 0.116 0.000 0.923 1229 S HN 0.533 nan 8.310 nan 0.000 0.567 1230 E N 0.776 121.058 120.200 0.137 0.000 2.354 1230 E HA 0.122 4.471 4.350 -0.001 0.000 0.269 1230 E C 0.665 177.306 176.600 0.069 0.000 1.036 1230 E CA 0.079 56.542 56.400 0.105 0.000 0.876 1230 E CB 0.546 30.281 29.700 0.057 0.000 1.009 1230 E HN 0.574 nan 8.360 nan 0.000 0.416 1231 D N 2.526 122.956 120.400 0.049 0.000 2.149 1231 D HA -0.171 4.468 4.640 -0.001 0.000 0.198 1231 D C 0.771 177.079 176.300 0.013 0.000 0.990 1231 D CA 1.204 55.215 54.000 0.018 0.000 0.839 1231 D CB 0.131 40.931 40.800 -0.001 0.000 0.948 1231 D HN 0.594 nan 8.370 nan 0.000 0.460 1232 N N 0.521 119.230 118.700 0.015 0.000 2.280 1232 N HA -0.050 4.689 4.740 -0.001 0.000 0.192 1232 N C -0.116 175.403 175.510 0.014 0.000 1.109 1232 N CA -0.044 53.013 53.050 0.011 0.000 0.855 1232 N CB 0.145 38.636 38.487 0.007 0.000 0.974 1232 N HN -0.049 nan 8.380 nan 0.000 0.482 1233 D N 1.745 122.159 120.400 0.022 0.000 2.362 1233 D HA 0.070 4.710 4.640 -0.001 0.000 0.242 1233 D C 1.271 177.583 176.300 0.021 0.000 1.132 1233 D CA -0.224 53.789 54.000 0.022 0.000 0.907 1233 D CB 1.140 41.958 40.800 0.029 0.000 1.195 1233 D HN -0.078 nan 8.370 nan 0.000 0.429 1234 E N 1.007 121.218 120.200 0.017 0.000 2.144 1234 E HA -0.213 4.137 4.350 -0.001 0.000 0.243 1234 E C 0.151 176.760 176.600 0.016 0.000 1.043 1234 E CA 1.554 57.964 56.400 0.015 0.000 0.952 1234 E CB -0.058 29.651 29.700 0.015 0.000 0.849 1234 E HN 0.395 nan 8.360 nan 0.000 0.522 1235 K N 0.916 121.327 120.400 0.018 0.000 2.110 1235 K HA 0.367 4.687 4.320 -0.001 0.000 0.263 1235 K C 0.168 176.783 176.600 0.024 0.000 0.975 1235 K CA -0.386 55.912 56.287 0.018 0.000 0.895 1235 K CB 0.967 33.477 32.500 0.017 0.000 1.060 1235 K HN 0.117 nan 8.250 nan 0.000 0.448 1236 L N 3.982 125.218 121.223 0.022 0.000 2.283 1236 L HA 0.374 4.713 4.340 -0.001 0.000 0.287 1236 L C -0.036 176.854 176.870 0.033 0.000 1.073 1236 L CA -0.427 54.431 54.840 0.029 0.000 0.822 1236 L CB -0.185 41.883 42.059 0.014 0.000 1.186 1236 L HN 0.399 nan 8.230 nan 0.000 0.436 1237 I N 4.068 124.671 120.570 0.055 0.000 2.647 1237 I HA 0.456 4.625 4.170 -0.001 0.000 0.295 1237 I C -0.403 175.771 176.117 0.096 0.000 1.078 1237 I CA -0.108 61.222 61.300 0.049 0.000 1.048 1237 I CB 2.846 40.857 38.000 0.019 0.000 1.239 1237 I HN 0.405 nan 8.210 nan 0.000 0.421 1238 I N 5.490 126.107 120.570 0.079 0.000 2.436 1238 I HA 0.486 4.655 4.170 -0.001 0.000 0.289 1238 I C -0.575 175.568 176.117 0.043 0.000 1.010 1238 I CA -0.650 60.721 61.300 0.117 0.000 1.098 1238 I CB 1.372 39.447 38.000 0.124 0.000 1.266 1238 I HN 0.415 nan 8.210 nan 0.000 0.434 1239 R N 5.293 125.800 120.500 0.011 0.000 2.445 1239 R HA 0.760 5.099 4.340 -0.001 0.000 0.308 1239 R C -1.456 174.817 176.300 -0.046 0.000 0.961 1239 R CA -0.601 55.479 56.100 -0.033 0.000 0.862 1239 R CB 1.820 32.089 30.300 -0.051 0.000 1.144 1239 R HN 0.568 nan 8.270 nan 0.000 0.447 1240 C N 1.675 120.963 119.300 -0.021 0.000 2.783 1240 C HA 0.607 5.066 4.460 -0.001 0.000 0.312 1240 C C -0.408 174.588 174.990 0.009 0.000 1.182 1240 C CA -1.200 57.806 59.018 -0.020 0.000 1.432 1240 C CB 1.774 29.504 27.740 -0.017 0.000 1.933 1240 C HN 0.838 nan 8.230 nan 0.000 0.473 1241 R N 1.264 121.780 120.500 0.027 0.000 2.673 1241 R HA 0.699 5.038 4.340 -0.001 0.000 0.281 1241 R C -0.852 175.455 176.300 0.012 0.000 0.991 1241 R CA -0.592 55.532 56.100 0.041 0.000 0.896 1241 R CB 2.053 32.390 30.300 0.061 0.000 1.201 1241 R HN 0.576 nan 8.270 nan 0.000 0.457 1242 V N 2.199 122.114 119.914 0.002 0.000 3.237 1242 V HA 0.178 4.297 4.120 -0.001 0.000 0.305 1242 V C 0.455 176.541 176.094 -0.014 0.000 1.096 1242 V CA 0.007 62.290 62.300 -0.029 0.000 1.130 1242 V CB 1.280 33.096 31.823 -0.012 0.000 1.048 1242 V HN 0.461 nan 8.190 nan 0.000 0.484 1255 E N 0.314 120.538 120.200 0.041 0.000 2.365 1255 E HA -0.238 4.111 4.350 -0.001 0.000 0.237 1255 E C 0.737 177.326 176.600 -0.019 0.000 1.238 1255 E CA 1.071 57.489 56.400 0.031 0.000 0.718 1255 E CB -0.959 28.774 29.700 0.054 0.000 1.218 1255 E HN 0.734 nan 8.360 nan 0.000 0.387 1256 E N -0.696 119.470 120.200 -0.057 0.000 2.340 1256 E HA -0.101 4.248 4.350 -0.001 0.000 0.194 1256 E C 1.344 177.727 176.600 -0.361 0.000 0.996 1256 E CA 0.803 57.129 56.400 -0.123 0.000 0.869 1256 E CB 0.160 29.870 29.700 0.016 0.000 0.835 1256 E HN 0.418 nan 8.360 nan 0.000 0.493 1257 D N -0.499 119.540 120.400 -0.602 0.000 2.178 1257 D HA -0.193 4.446 4.640 -0.001 0.000 0.202 1257 D C 1.911 178.051 176.300 -0.267 0.000 0.974 1257 D CA 0.991 54.547 54.000 -0.740 0.000 0.841 1257 D CB 0.075 40.336 40.800 -0.899 0.000 0.953 1257 D HN 0.120 nan 8.370 nan 0.000 0.478 1258 H N -0.754 118.168 119.070 -0.247 0.000 2.448 1258 H HA 0.189 4.744 4.556 -0.001 0.000 0.292 1258 H C 1.652 176.921 175.328 -0.099 0.000 1.035 1258 H CA 1.037 57.002 56.048 -0.140 0.000 1.349 1258 H CB -0.108 29.594 29.762 -0.100 0.000 1.425 1258 H HN 0.145 nan 8.280 nan 0.000 0.539 1259 M N -0.758 118.737 119.600 -0.175 0.000 2.492 1259 M HA 0.044 4.524 4.480 -0.001 0.000 0.262 1259 M C 1.599 177.828 176.300 -0.119 0.000 1.090 1259 M CA 0.464 55.650 55.300 -0.190 0.000 1.110 1259 M CB 0.162 32.688 32.600 -0.123 0.000 1.407 1259 M HN 0.325 nan 8.290 nan 0.000 0.470 1260 L N -0.401 120.760 121.223 -0.103 0.000 2.209 1260 L HA -0.041 4.298 4.340 -0.001 0.000 0.207 1260 L C 2.166 179.018 176.870 -0.032 0.000 1.094 1260 L CA 1.492 56.295 54.840 -0.061 0.000 0.790 1260 L CB -0.485 41.539 42.059 -0.059 0.000 0.932 1260 L HN 0.074 nan 8.230 nan 0.000 0.447 1261 K N 0.192 120.574 120.400 -0.030 0.000 2.209 1261 K HA -0.167 4.153 4.320 -0.001 0.000 0.204 1261 K C 1.855 178.462 176.600 0.011 0.000 1.048 1261 K CA 1.246 57.541 56.287 0.012 0.000 0.940 1261 K CB 0.084 32.618 32.500 0.057 0.000 0.729 1261 K HN 0.411 nan 8.250 nan 0.000 0.451 1262 K N -0.078 120.305 120.400 -0.028 0.000 2.296 1262 K HA 0.021 4.340 4.320 -0.001 0.000 0.200 1262 K C 2.102 178.714 176.600 0.020 0.000 1.048 1262 K CA 0.526 56.801 56.287 -0.020 0.000 0.966 1262 K CB 0.084 32.538 32.500 -0.078 0.000 0.754 1262 K HN 0.087 nan 8.250 nan 0.000 0.466 1263 I N 1.703 122.289 120.570 0.026 0.000 2.252 1263 I HA -0.255 3.914 4.170 -0.001 0.000 0.245 1263 I C 2.343 178.521 176.117 0.101 0.000 1.102 1263 I CA 1.316 62.666 61.300 0.082 0.000 1.385 1263 I CB -0.167 37.851 38.000 0.030 0.000 1.064 1263 I HN 0.188 nan 8.210 nan 0.000 0.414 1264 E N 0.680 120.918 120.200 0.064 0.000 2.338 1264 E HA -0.247 4.102 4.350 -0.001 0.000 0.197 1264 E C 1.693 178.326 176.600 0.056 0.000 1.007 1264 E CA 1.384 57.822 56.400 0.064 0.000 0.849 1264 E CB -0.418 29.313 29.700 0.052 0.000 0.774 1264 E HN 0.401 nan 8.360 nan 0.000 0.506 1265 N N -0.390 118.339 118.700 0.049 0.000 2.376 1265 N HA -0.052 4.687 4.740 -0.001 0.000 0.177 1265 N C 1.125 176.659 175.510 0.040 0.000 1.024 1265 N CA 1.604 54.678 53.050 0.039 0.000 0.893 1265 N CB 0.017 38.523 38.487 0.031 0.000 0.980 1265 N HN 0.286 nan 8.380 nan 0.000 0.439 1266 T N 0.014 114.602 114.554 0.057 0.000 2.781 1266 T HA 0.018 4.367 4.350 -0.001 0.000 0.252 1266 T C 1.971 176.698 174.700 0.046 0.000 1.039 1266 T CA 0.684 62.813 62.100 0.049 0.000 1.147 1266 T CB -0.229 68.684 68.868 0.075 0.000 0.865 1266 T HN 0.100 nan 8.240 nan 0.000 0.423 1267 M N 0.918 120.573 119.600 0.092 0.000 2.151 1267 M HA -0.122 4.357 4.480 -0.001 0.000 0.256 1267 M C 2.390 178.714 176.300 0.040 0.000 1.072 1267 M CA 1.860 57.211 55.300 0.084 0.000 1.090 1267 M CB -0.848 31.831 32.600 0.133 0.000 1.294 1267 M HN 0.182 nan 8.290 nan 0.000 0.415 1268 L N -1.125 120.121 121.223 0.038 0.000 2.201 1268 L HA -0.161 4.178 4.340 -0.001 0.000 0.212 1268 L C 1.405 178.283 176.870 0.013 0.000 1.105 1268 L CA 1.016 55.869 54.840 0.022 0.000 0.775 1268 L CB -0.206 41.868 42.059 0.024 0.000 0.913 1268 L HN 0.315 nan 8.230 nan 0.000 0.440 1269 E N -1.410 118.800 120.200 0.016 0.000 2.758 1269 E HA 0.109 4.459 4.350 -0.001 0.000 0.215 1269 E C 0.618 177.227 176.600 0.016 0.000 0.985 1269 E CA -0.030 56.379 56.400 0.016 0.000 1.102 1269 E CB 0.470 30.180 29.700 0.017 0.000 1.042 1269 E HN 0.196 nan 8.360 nan 0.000 0.480 1270 N N -0.486 118.218 118.700 0.007 0.000 2.011 1270 N HA 0.088 4.828 4.740 -0.001 0.000 0.228 1270 N C -0.705 174.793 175.510 -0.020 0.000 1.378 1270 N CA -0.032 53.014 53.050 -0.007 0.000 0.852 1270 N CB 1.157 39.628 38.487 -0.027 0.000 1.111 1270 N HN 0.033 nan 8.380 nan 0.000 0.497 1271 I N 2.225 122.784 120.570 -0.019 0.000 2.304 1271 I HA 0.193 4.363 4.170 -0.001 0.000 0.291 1271 I C 0.433 176.549 176.117 -0.002 0.000 1.018 1271 I CA 0.090 61.369 61.300 -0.034 0.000 1.260 1271 I CB 0.701 38.673 38.000 -0.046 0.000 1.390 1271 I HN -0.193 nan 8.210 nan 0.000 0.475 1272 T N 7.145 121.714 114.554 0.025 0.000 2.856 1272 T HA 0.348 4.697 4.350 -0.001 0.000 0.292 1272 T C 1.208 175.910 174.700 0.003 0.000 0.980 1272 T CA -0.267 61.880 62.100 0.078 0.000 1.091 1272 T CB 1.628 70.579 68.868 0.139 0.000 0.936 1272 T HN 0.244 nan 8.240 nan 0.000 0.503 1273 L N 2.431 123.638 121.223 -0.026 0.000 2.129 1273 L HA 0.355 4.694 4.340 -0.001 0.000 0.200 1273 L C 1.709 178.565 176.870 -0.023 0.000 1.159 1273 L CA 1.047 55.862 54.840 -0.043 0.000 0.795 1273 L CB -0.322 41.696 42.059 -0.069 0.000 0.951 1273 L HN 0.600 nan 8.230 nan 0.000 0.463 1274 R N -0.324 120.164 120.500 -0.019 0.000 2.893 1274 R HA 0.654 4.993 4.340 -0.001 0.000 0.223 1274 R C -0.146 176.185 176.300 0.051 0.000 1.433 1274 R CA -0.050 56.051 56.100 0.002 0.000 1.063 1274 R CB -0.320 29.972 30.300 -0.014 0.000 1.758 1274 R HN 0.323 nan 8.270 nan 0.000 0.524 1275 G N -0.595 108.235 108.800 0.050 0.000 2.814 1275 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.677 1275 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.677 1275 G C -1.033 173.919 174.900 0.087 0.000 1.429 1275 G CA -0.314 44.837 45.100 0.086 0.000 0.868 1275 G HN 0.476 nan 8.290 nan 0.000 0.553 1276 V N 1.975 121.913 119.914 0.040 0.000 2.547 1276 V HA 0.509 4.628 4.120 -0.001 0.000 0.299 1276 V C 0.923 176.914 176.094 -0.172 0.000 1.040 1276 V CA -0.215 62.056 62.300 -0.049 0.000 0.913 1276 V CB 1.689 33.485 31.823 -0.044 0.000 0.992 1276 V HN 1.016 nan 8.190 nan 0.000 0.449 1277 E N 4.306 124.301 120.200 -0.340 0.000 2.418 1277 E HA 0.056 4.406 4.350 -0.001 0.000 0.261 1277 E C 0.038 176.477 176.600 -0.267 0.000 1.070 1277 E CA 0.030 56.098 56.400 -0.553 0.000 0.931 1277 E CB 0.242 29.694 29.700 -0.413 0.000 0.954 1277 E HN 0.720 nan 8.360 nan 0.000 0.439 1278 N N -0.838 117.734 118.700 -0.213 0.000 2.679 1278 N HA -0.209 4.530 4.740 -0.001 0.000 0.208 1278 N C -0.099 175.389 175.510 -0.038 0.000 1.118 1278 N CA 1.427 54.423 53.050 -0.090 0.000 1.882 1278 N CB -1.387 37.050 38.487 -0.084 0.000 0.903 1278 N HN 0.466 nan 8.380 nan 0.000 0.525 1279 I N 3.134 123.687 120.570 -0.028 0.000 2.455 1279 I HA 0.018 4.188 4.170 -0.001 0.000 0.303 1279 I C 1.608 177.760 176.117 0.058 0.000 1.180 1279 I CA 0.669 61.975 61.300 0.012 0.000 1.469 1279 I CB 0.217 38.223 38.000 0.011 0.000 1.480 1279 I HN 0.099 nan 8.210 nan 0.000 0.669 1280 E N 3.811 124.032 120.200 0.035 0.000 2.076 1280 E HA 0.075 4.425 4.350 -0.001 0.000 0.190 1280 E C 0.823 177.432 176.600 0.015 0.000 0.979 1280 E CA 0.900 57.321 56.400 0.036 0.000 0.807 1280 E CB 0.275 29.982 29.700 0.013 0.000 0.761 1280 E HN 0.417 nan 8.360 nan 0.000 0.454 1281 R N -0.288 120.218 120.500 0.011 0.000 2.548 1281 R HA 0.430 4.770 4.340 -0.001 0.000 0.280 1281 R C -1.898 174.430 176.300 0.046 0.000 1.061 1281 R CA -0.412 55.691 56.100 0.006 0.000 0.915 1281 R CB 1.583 31.866 30.300 -0.027 0.000 1.210 1281 R HN -0.094 nan 8.270 nan 0.000 0.442 1282 V N 4.982 124.966 119.914 0.116 0.000 2.444 1282 V HA 0.427 4.546 4.120 -0.001 0.000 0.294 1282 V C -0.456 175.733 176.094 0.160 0.000 1.022 1282 V CA -0.692 61.675 62.300 0.112 0.000 0.850 1282 V CB 1.981 33.851 31.823 0.078 0.000 0.992 1282 V HN 0.504 nan 8.190 nan 0.000 0.426 1283 V N 5.310 125.287 119.914 0.104 0.000 2.513 1283 V HA 0.532 4.652 4.120 -0.001 0.000 0.299 1283 V C 0.016 176.166 176.094 0.092 0.000 1.035 1283 V CA -0.688 61.684 62.300 0.120 0.000 0.889 1283 V CB 1.806 33.699 31.823 0.117 0.000 0.988 1283 V HN 0.817 nan 8.190 nan 0.000 0.440 1284 M N 4.673 124.342 119.600 0.115 0.000 2.216 1284 M HA 0.598 5.078 4.480 -0.001 0.000 0.356 1284 M C -0.574 175.921 176.300 0.324 0.000 1.205 1284 M CA 0.298 55.734 55.300 0.227 0.000 1.122 1284 M CB 1.170 33.884 32.600 0.190 0.000 1.571 1284 M HN 0.563 nan 8.290 nan 0.000 0.464 1285 M N 2.726 122.512 119.600 0.309 0.000 2.206 1285 M HA 0.288 4.767 4.480 -0.001 0.000 0.272 1285 M C -0.933 175.386 176.300 0.031 0.000 1.012 1285 M CA -0.534 54.886 55.300 0.199 0.000 0.986 1285 M CB 2.297 35.063 32.600 0.276 0.000 1.740 1285 M HN 0.484 nan 8.290 nan 0.000 0.472 1286 K N 3.250 123.475 120.400 -0.290 0.000 2.336 1286 K HA 0.235 4.555 4.320 -0.001 0.000 0.290 1286 K C -1.533 175.056 176.600 -0.018 0.000 1.067 1286 K CA 0.337 56.309 56.287 -0.525 0.000 0.962 1286 K CB 0.418 32.438 32.500 -0.800 0.000 1.008 1286 K HN 0.579 nan 8.250 nan 0.000 0.467 1287 Y N 2.583 122.783 120.300 -0.166 0.000 2.334 1287 Y HA 0.071 4.620 4.550 -0.001 0.000 0.328 1287 Y C 0.831 176.694 175.900 -0.061 0.000 1.130 1287 Y CA -1.304 56.765 58.100 -0.052 0.000 1.163 1287 Y CB 1.142 39.635 38.460 0.054 0.000 1.207 1287 Y HN 0.529 nan 8.280 nan 0.000 0.471 1288 D N 3.369 123.805 120.400 0.059 0.000 2.362 1288 D HA 0.211 4.851 4.640 -0.001 0.000 0.242 1288 D C -0.286 176.051 176.300 0.061 0.000 1.132 1288 D CA 0.254 54.268 54.000 0.023 0.000 0.907 1288 D CB 1.342 42.130 40.800 -0.020 0.000 1.195 1288 D HN 0.461 nan 8.370 nan 0.000 0.429 1289 R N 0.897 121.424 120.500 0.044 0.000 2.633 1289 R HA 0.131 4.470 4.340 -0.001 0.000 0.256 1289 R C -1.375 174.955 176.300 0.050 0.000 1.131 1289 R CA -0.661 55.469 56.100 0.049 0.000 0.994 1289 R CB 1.250 31.584 30.300 0.057 0.000 1.261 1289 R HN 0.256 nan 8.270 nan 0.000 0.446 1290 K N 2.541 122.978 120.400 0.062 0.000 2.172 1290 K HA 0.532 4.851 4.320 -0.001 0.000 0.276 1290 K C -0.916 175.807 176.600 0.205 0.000 1.013 1290 K CA -0.644 55.716 56.287 0.121 0.000 0.913 1290 K CB 2.074 34.624 32.500 0.084 0.000 1.055 1290 K HN 0.186 nan 8.250 nan 0.000 0.461 1291 V N 4.464 124.504 119.914 0.211 0.000 2.808 1291 V HA 0.244 4.363 4.120 -0.001 0.000 0.308 1291 V C -2.469 173.603 176.094 -0.036 0.000 1.099 1291 V CA -2.309 60.054 62.300 0.106 0.000 0.920 1291 V CB 2.088 33.933 31.823 0.036 0.000 1.014 1291 V HN 0.647 nan 8.190 nan 0.000 0.425 1292 P HA 0.018 nan 4.420 nan 0.000 0.261 1292 P C -0.155 177.020 177.300 -0.209 0.000 1.173 1292 P CA 0.726 63.568 63.100 -0.430 0.000 0.760 1292 P CB 0.431 31.918 31.700 -0.354 0.000 0.783 1293 S N 4.296 119.886 115.700 -0.184 0.000 2.603 1293 S HA 0.262 4.732 4.470 -0.001 0.000 0.268 1293 S C -1.211 173.333 174.600 -0.092 0.000 1.317 1293 S CA -1.493 56.648 58.200 -0.099 0.000 1.012 1293 S CB -0.165 62.995 63.200 -0.066 0.000 0.926 1293 S HN 0.339 nan 8.310 nan 0.000 0.539 1294 P HA 0.025 nan 4.420 nan 0.000 0.242 1294 P C 0.668 177.941 177.300 -0.045 0.000 1.198 1294 P CA 0.735 63.804 63.100 -0.051 0.000 0.756 1294 P CB -0.468 31.211 31.700 -0.034 0.000 0.911 1295 T N -6.440 108.086 114.554 -0.047 0.000 2.975 1295 T HA 0.499 4.848 4.350 -0.001 0.000 0.257 1295 T C 1.243 175.921 174.700 -0.037 0.000 1.003 1295 T CA 0.639 62.720 62.100 -0.031 0.000 0.932 1295 T CB 0.635 69.494 68.868 -0.015 0.000 1.087 1295 T HN 0.207 nan 8.240 nan 0.000 0.512 1296 G N 2.146 110.903 108.800 -0.071 0.000 3.145 1296 G HA2 -0.063 3.896 3.960 -0.001 0.000 0.195 1296 G HA3 -0.063 3.896 3.960 -0.001 0.000 0.195 1296 G C -0.440 174.385 174.900 -0.124 0.000 2.278 1296 G CA -0.050 44.998 45.100 -0.088 0.000 1.441 1296 G HN 0.742 nan 8.290 nan 0.000 0.452 1297 E N 1.126 121.292 120.200 -0.056 0.000 2.435 1297 E HA 0.487 4.836 4.350 -0.001 0.000 0.256 1297 E C -0.749 175.802 176.600 -0.082 0.000 1.245 1297 E CA -0.389 56.003 56.400 -0.014 0.000 0.989 1297 E CB 0.097 29.831 29.700 0.056 0.000 0.983 1297 E HN 0.479 nan 8.360 nan 0.000 0.480 1298 Y N -0.381 119.922 120.300 0.005 0.000 2.336 1298 Y HA 0.357 4.906 4.550 -0.001 0.000 0.335 1298 Y C -0.088 175.812 175.900 -0.001 0.000 1.046 1298 Y CA -0.536 57.566 58.100 0.002 0.000 1.198 1298 Y CB 1.033 39.496 38.460 0.006 0.000 1.182 1298 Y HN 0.159 nan 8.280 nan 0.000 0.502 1299 V N 3.531 123.515 119.914 0.117 0.000 2.732 1299 V HA 0.333 4.452 4.120 -0.001 0.000 0.310 1299 V C -0.329 175.808 176.094 0.071 0.000 1.053 1299 V CA -1.754 60.587 62.300 0.069 0.000 0.957 1299 V CB 1.785 33.623 31.823 0.026 0.000 1.018 1299 V HN 0.548 nan 8.190 nan 0.000 0.452 1300 K N 2.457 122.883 120.400 0.043 0.000 2.292 1300 K HA 0.258 4.577 4.320 -0.001 0.000 0.290 1300 K C -0.192 176.419 176.600 0.019 0.000 1.083 1300 K CA 0.121 56.425 56.287 0.028 0.000 0.918 1300 K CB 0.378 32.885 32.500 0.012 0.000 1.089 1300 K HN 0.749 nan 8.250 nan 0.000 0.473 1301 E N 5.876 126.090 120.200 0.023 0.000 2.145 1301 E HA 0.277 4.626 4.350 -0.001 0.000 0.262 1301 E C -2.511 174.094 176.600 0.009 0.000 0.883 1301 E CA -2.407 54.002 56.400 0.015 0.000 0.748 1301 E CB 1.093 30.805 29.700 0.020 0.000 1.140 1301 E HN 0.202 nan 8.360 nan 0.000 0.417 1302 P HA 0.220 nan 4.420 nan 0.000 0.282 1302 P C -1.403 175.866 177.300 -0.051 0.000 1.259 1302 P CA -0.382 62.694 63.100 -0.041 0.000 0.826 1302 P CB 1.000 32.648 31.700 -0.086 0.000 1.064 1303 E N 0.125 120.283 120.200 -0.069 0.000 2.383 1303 E HA 0.374 4.723 4.350 -0.001 0.000 0.275 1303 E C -1.588 174.942 176.600 -0.117 0.000 0.918 1303 E CA -0.946 55.438 56.400 -0.027 0.000 0.764 1303 E CB 0.895 30.641 29.700 0.078 0.000 1.252 1303 E HN 0.248 nan 8.360 nan 0.000 0.449 1304 W N 2.144 123.473 121.300 0.048 0.000 2.388 1304 W HA 0.416 5.075 4.660 -0.001 0.000 0.308 1304 W C -0.716 175.773 176.519 -0.049 0.000 1.263 1304 W CA -0.335 57.015 57.345 0.009 0.000 1.286 1304 W CB 1.359 30.823 29.460 0.006 0.000 1.294 1304 W HN 0.228 nan 8.180 nan 0.000 0.493 1305 V N 5.852 125.789 119.914 0.039 0.000 2.555 1305 V HA 0.381 4.501 4.120 -0.001 0.000 0.302 1305 V C 0.036 176.031 176.094 -0.164 0.000 1.038 1305 V CA -1.168 60.993 62.300 -0.232 0.000 0.887 1305 V CB 1.525 32.823 31.823 -0.874 0.000 0.991 1305 V HN 0.278 nan 8.190 nan 0.000 0.434 1306 L N 3.997 125.126 121.223 -0.157 0.000 2.276 1306 L HA 0.573 4.913 4.340 -0.001 0.000 0.286 1306 L C -0.010 176.787 176.870 -0.123 0.000 1.061 1306 L CA -0.109 54.677 54.840 -0.089 0.000 0.807 1306 L CB 1.382 43.407 42.059 -0.057 0.000 1.177 1306 L HN 0.694 nan 8.230 nan 0.000 0.429 1307 E N 1.476 121.647 120.200 -0.048 0.000 2.222 1307 E HA 0.460 4.809 4.350 -0.001 0.000 0.267 1307 E C -1.154 175.446 176.600 0.001 0.000 0.884 1307 E CA -0.377 56.009 56.400 -0.024 0.000 0.764 1307 E CB 2.227 31.945 29.700 0.029 0.000 1.169 1307 E HN 0.433 nan 8.360 nan 0.000 0.413 1308 T N 2.083 116.631 114.554 -0.010 0.000 2.942 1308 T HA 0.379 4.728 4.350 -0.001 0.000 0.289 1308 T C -1.403 173.288 174.700 -0.014 0.000 1.044 1308 T CA -0.720 61.374 62.100 -0.009 0.000 1.023 1308 T CB 0.894 69.750 68.868 -0.021 0.000 1.123 1308 T HN 0.309 nan 8.240 nan 0.000 0.512 1309 D N 1.236 121.629 120.400 -0.013 0.000 2.432 1309 D HA 0.585 5.225 4.640 -0.001 0.000 0.265 1309 D C 0.116 176.403 176.300 -0.022 0.000 1.160 1309 D CA 0.254 54.241 54.000 -0.022 0.000 0.911 1309 D CB 0.750 41.538 40.800 -0.020 0.000 1.052 1309 D HN 0.947 nan 8.370 nan 0.000 0.508 1310 G N -0.386 108.395 108.800 -0.032 0.000 2.402 1310 G HA2 0.148 4.107 3.960 -0.001 0.000 0.666 1310 G HA3 0.148 4.107 3.960 -0.001 0.000 0.666 1310 G C -1.571 173.301 174.900 -0.047 0.000 1.402 1310 G CA -0.969 44.109 45.100 -0.037 0.000 0.920 1310 G HN 0.226 nan 8.290 nan 0.000 0.651 1311 V N 1.928 121.808 119.914 -0.057 0.000 2.443 1311 V HA 0.708 4.827 4.120 -0.001 0.000 0.293 1311 V C -0.431 175.624 176.094 -0.066 0.000 1.021 1311 V CA -0.975 61.286 62.300 -0.065 0.000 0.848 1311 V CB 1.855 33.631 31.823 -0.079 0.000 0.998 1311 V HN 0.825 nan 8.190 nan 0.000 0.424 1312 N N 4.087 122.750 118.700 -0.061 0.000 2.609 1312 N HA 0.288 5.027 4.740 -0.001 0.000 0.268 1312 N C 0.069 175.549 175.510 -0.050 0.000 1.106 1312 N CA -0.459 52.556 53.050 -0.060 0.000 0.823 1312 N CB 1.757 40.203 38.487 -0.067 0.000 1.263 1312 N HN 0.485 nan 8.380 nan 0.000 0.533 1313 L N 2.855 124.049 121.223 -0.048 0.000 2.034 1313 L HA 0.151 4.491 4.340 -0.001 0.000 0.203 1313 L C 1.822 178.676 176.870 -0.027 0.000 1.074 1313 L CA 1.852 56.669 54.840 -0.039 0.000 0.748 1313 L CB -1.077 40.958 42.059 -0.042 0.000 0.905 1313 L HN 0.615 nan 8.230 nan 0.000 0.439 1314 S N -1.221 114.463 115.700 -0.026 0.000 2.711 1314 S HA -0.045 4.424 4.470 -0.001 0.000 0.237 1314 S C 1.172 175.760 174.600 -0.020 0.000 0.971 1314 S CA 0.756 58.945 58.200 -0.019 0.000 0.964 1314 S CB -0.476 62.712 63.200 -0.020 0.000 0.775 1314 S HN 0.591 nan 8.310 nan 0.000 0.540 1315 E N -0.344 119.841 120.200 -0.024 0.000 2.568 1315 E HA 0.176 4.525 4.350 -0.001 0.000 0.220 1315 E C 0.763 177.350 176.600 -0.022 0.000 0.869 1315 E CA 0.341 56.726 56.400 -0.026 0.000 1.268 1315 E CB 1.106 30.784 29.700 -0.038 0.000 1.252 1315 E HN 0.469 nan 8.360 nan 0.000 0.606 1316 V N 1.460 121.363 119.914 -0.019 0.000 3.556 1316 V HA 0.030 4.149 4.120 -0.001 0.000 0.287 1316 V C 2.056 178.147 176.094 -0.005 0.000 1.422 1316 V CA 0.506 62.797 62.300 -0.015 0.000 1.038 1316 V CB -0.081 31.730 31.823 -0.020 0.000 0.850 1316 V HN 0.220 nan 8.190 nan 0.000 0.437 1317 M N 0.618 120.218 119.600 -0.001 0.000 2.447 1317 M HA 0.034 4.513 4.480 -0.001 0.000 0.264 1317 M C 1.862 178.168 176.300 0.009 0.000 1.095 1317 M CA 1.781 57.088 55.300 0.011 0.000 1.125 1317 M CB -0.906 31.704 32.600 0.017 0.000 1.389 1317 M HN 0.255 nan 8.290 nan 0.000 0.459 1318 T N -1.122 113.432 114.554 0.001 0.000 3.160 1318 T HA 0.217 4.567 4.350 -0.001 0.000 0.257 1318 T C 0.566 175.264 174.700 -0.003 0.000 1.147 1318 T CA -0.225 61.874 62.100 -0.001 0.000 1.064 1318 T CB -0.804 68.061 68.868 -0.006 0.000 0.949 1318 T HN 0.214 nan 8.240 nan 0.000 0.526 1319 V N 4.209 124.122 119.914 -0.002 0.000 2.775 1319 V HA 0.332 4.451 4.120 -0.001 0.000 0.299 1319 V C -1.714 174.379 176.094 -0.002 0.000 1.062 1319 V CA -1.910 60.387 62.300 -0.004 0.000 1.063 1319 V CB 0.953 32.773 31.823 -0.005 0.000 0.994 1319 V HN 0.385 nan 8.190 nan 0.000 0.483 1320 P HA 0.363 nan 4.420 nan 0.000 0.277 1320 P C 0.667 177.963 177.300 -0.007 0.000 1.240 1320 P CA 0.652 63.747 63.100 -0.008 0.000 0.798 1320 P CB 1.465 33.157 31.700 -0.014 0.000 0.979 1321 G N 1.743 110.539 108.800 -0.006 0.000 2.317 1321 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.227 1321 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.227 1321 G C 0.166 175.078 174.900 0.019 0.000 1.042 1321 G CA 0.209 45.308 45.100 -0.001 0.000 0.623 1321 G HN 0.757 nan 8.290 nan 0.000 0.509 1322 I N 1.090 121.674 120.570 0.023 0.000 2.437 1322 I HA 0.639 4.808 4.170 -0.001 0.000 0.298 1322 I C -0.996 175.154 176.117 0.056 0.000 0.984 1322 I CA -0.692 60.634 61.300 0.044 0.000 1.214 1322 I CB 1.550 39.570 38.000 0.035 0.000 1.365 1322 I HN 0.027 nan 8.210 nan 0.000 0.469 1323 D N 9.130 129.582 120.400 0.087 0.000 2.346 1323 D HA 0.202 4.841 4.640 -0.001 0.000 0.260 1323 D C -1.837 174.522 176.300 0.099 0.000 1.252 1323 D CA -1.814 52.239 54.000 0.089 0.000 0.895 1323 D CB 1.104 41.967 40.800 0.106 0.000 1.097 1323 D HN 0.425 nan 8.370 nan 0.000 0.489 1324 P HA 0.068 nan 4.420 nan 0.000 0.257 1324 P C 0.687 178.030 177.300 0.072 0.000 1.325 1324 P CA 0.061 63.200 63.100 0.065 0.000 0.850 1324 P CB 0.590 32.315 31.700 0.041 0.000 1.324 1325 T N -0.789 113.811 114.554 0.077 0.000 3.010 1325 T HA 0.239 4.589 4.350 -0.001 0.000 0.257 1325 T C 1.420 176.172 174.700 0.087 0.000 1.020 1325 T CA 0.257 62.396 62.100 0.066 0.000 0.938 1325 T CB 0.123 69.012 68.868 0.036 0.000 1.049 1325 T HN 0.071 nan 8.240 nan 0.000 0.522 1326 R N 0.000 120.583 120.500 0.138 0.000 2.394 1326 R HA 0.444 4.783 4.340 -0.001 0.000 0.220 1326 R C 0.737 177.310 176.300 0.456 0.000 0.887 1326 R CA -0.296 55.923 56.100 0.198 0.000 1.034 1326 R CB 0.552 30.846 30.300 -0.011 0.000 1.179 1326 R HN 0.316 nan 8.270 nan 0.000 0.561 1327 I N 1.801 122.586 120.570 0.358 0.000 2.919 1327 I HA -0.191 3.978 4.170 -0.001 0.000 0.303 1327 I C -0.823 175.464 176.117 0.284 0.000 1.221 1327 I CA 0.814 62.267 61.300 0.254 0.000 1.444 1327 I CB 0.248 38.321 38.000 0.121 0.000 1.331 1327 I HN 0.046 nan 8.210 nan 0.000 0.572 1328 Y N 5.795 126.138 120.300 0.071 0.000 2.534 1328 Y HA 0.458 5.008 4.550 -0.001 0.000 0.345 1328 Y C -0.709 175.215 175.900 0.040 0.000 1.031 1328 Y CA -0.584 57.570 58.100 0.090 0.000 1.022 1328 Y CB 1.953 40.509 38.460 0.160 0.000 1.292 1328 Y HN 0.528 nan 8.280 nan 0.000 0.459 1329 T N 3.223 117.361 114.554 -0.693 0.000 2.952 1329 T HA 0.215 4.564 4.350 -0.001 0.000 0.305 1329 T C 0.165 174.488 174.700 -0.628 0.000 1.064 1329 T CA -0.348 61.478 62.100 -0.456 0.000 1.008 1329 T CB 0.626 69.347 68.868 -0.244 0.000 1.078 1329 T HN 0.833 nan 8.240 nan 0.000 0.459 1330 N N 2.543 121.101 118.700 -0.237 0.000 2.520 1330 N HA -0.024 4.715 4.740 -0.001 0.000 0.185 1330 N C 0.696 176.192 175.510 -0.023 0.000 1.068 1330 N CA 0.250 53.267 53.050 -0.056 0.000 0.911 1330 N CB 0.198 38.724 38.487 0.065 0.000 0.961 1330 N HN 0.302 nan 8.380 nan 0.000 0.446 1331 S N 0.116 115.745 115.700 -0.119 0.000 2.414 1331 S HA 0.102 4.571 4.470 -0.001 0.000 0.290 1331 S C 0.553 175.077 174.600 -0.127 0.000 1.160 1331 S CA -0.982 57.124 58.200 -0.157 0.000 1.069 1331 S CB -0.550 62.546 63.200 -0.173 0.000 1.012 1331 S HN 0.413 nan 8.310 nan 0.000 0.510 1332 F N 4.308 124.229 119.950 -0.048 0.000 2.615 1332 F HA 0.275 4.801 4.527 -0.001 0.000 0.297 1332 F C 1.429 177.224 175.800 -0.009 0.000 1.124 1332 F CA -0.069 57.919 58.000 -0.019 0.000 1.451 1332 F CB -0.268 38.752 39.000 0.034 0.000 1.103 1332 F HN 0.469 nan 8.300 nan 0.000 0.569 1333 I N 1.548 121.804 120.570 -0.524 0.000 2.439 1333 I HA -0.184 3.986 4.170 -0.001 0.000 0.251 1333 I C 1.226 177.264 176.117 -0.131 0.000 1.139 1333 I CA 1.422 62.532 61.300 -0.317 0.000 1.438 1333 I CB -0.740 37.024 38.000 -0.394 0.000 1.085 1333 I HN 0.174 nan 8.210 nan 0.000 0.427 1334 D N 0.414 120.738 120.400 -0.127 0.000 2.149 1334 D HA -0.055 4.585 4.640 -0.001 0.000 0.206 1334 D C 2.341 178.621 176.300 -0.035 0.000 0.967 1334 D CA 0.681 54.635 54.000 -0.077 0.000 0.848 1334 D CB 0.107 40.853 40.800 -0.091 0.000 0.998 1334 D HN 0.108 nan 8.370 nan 0.000 0.474 1335 I N 0.867 121.423 120.570 -0.023 0.000 2.185 1335 I HA -0.293 3.876 4.170 -0.001 0.000 0.246 1335 I C 2.363 178.508 176.117 0.046 0.000 1.088 1335 I CA 1.100 62.410 61.300 0.018 0.000 1.347 1335 I CB -0.605 37.421 38.000 0.044 0.000 1.041 1335 I HN 0.227 nan 8.210 nan 0.000 0.415 1336 M N 0.705 120.343 119.600 0.063 0.000 2.108 1336 M HA -0.242 4.237 4.480 -0.001 0.000 0.261 1336 M C 2.041 178.366 176.300 0.041 0.000 1.066 1336 M CA 1.991 57.334 55.300 0.072 0.000 1.107 1336 M CB -0.418 32.237 32.600 0.092 0.000 1.356 1336 M HN 0.275 nan 8.290 nan 0.000 0.406 1337 E N -1.212 118.999 120.200 0.018 0.000 2.216 1337 E HA -0.092 4.257 4.350 -0.001 0.000 0.192 1337 E C 1.905 178.509 176.600 0.007 0.000 0.988 1337 E CA 0.887 57.292 56.400 0.007 0.000 0.834 1337 E CB 0.265 29.960 29.700 -0.010 0.000 0.772 1337 E HN 0.369 nan 8.360 nan 0.000 0.479 1338 V N 0.445 120.363 119.914 0.007 0.000 2.685 1338 V HA -0.024 4.096 4.120 -0.001 0.000 0.244 1338 V C 1.651 177.755 176.094 0.017 0.000 1.054 1338 V CA 0.954 63.258 62.300 0.007 0.000 1.076 1338 V CB 0.162 31.985 31.823 0.000 0.000 0.725 1338 V HN 0.204 nan 8.190 nan 0.000 0.467 1339 L N -0.250 120.990 121.223 0.028 0.000 3.016 1339 L HA 0.608 4.947 4.340 -0.001 0.000 0.267 1339 L C 0.879 177.772 176.870 0.038 0.000 1.182 1339 L CA 0.447 55.308 54.840 0.035 0.000 0.997 1339 L CB 0.468 42.556 42.059 0.048 0.000 1.354 1339 L HN 0.470 nan 8.230 nan 0.000 0.569 1340 G N 0.755 109.577 108.800 0.037 0.000 2.712 1340 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.683 1340 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.683 1340 G C 0.096 175.026 174.900 0.051 0.000 1.320 1340 G CA -0.151 44.972 45.100 0.039 0.000 0.847 1340 G HN -0.043 nan 8.290 nan 0.000 0.553 1341 I N 0.072 120.673 120.570 0.050 0.000 2.315 1341 I HA 0.049 4.219 4.170 -0.001 0.000 0.248 1341 I C 2.286 178.441 176.117 0.065 0.000 1.117 1341 I CA 2.378 63.715 61.300 0.061 0.000 1.404 1341 I CB -0.276 37.758 38.000 0.055 0.000 1.071 1341 I HN 0.612 nan 8.210 nan 0.000 0.419 1342 E N 0.723 120.955 120.200 0.053 0.000 2.150 1342 E HA -0.116 4.233 4.350 -0.001 0.000 0.193 1342 E C 2.225 178.861 176.600 0.060 0.000 0.985 1342 E CA 1.217 57.647 56.400 0.050 0.000 0.814 1342 E CB -0.297 29.424 29.700 0.035 0.000 0.752 1342 E HN 0.600 nan 8.360 nan 0.000 0.466 1343 A N 0.827 123.687 122.820 0.066 0.000 1.898 1343 A HA -0.039 4.280 4.320 -0.001 0.000 0.216 1343 A C 2.411 180.064 177.584 0.114 0.000 1.181 1343 A CA 1.723 53.811 52.037 0.084 0.000 0.620 1343 A CB -0.964 18.083 19.000 0.078 0.000 0.819 1343 A HN 0.325 nan 8.150 nan 0.000 0.442 1344 G N -0.385 108.483 108.800 0.112 0.000 2.545 1344 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.217 1344 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.217 1344 G C 1.716 176.698 174.900 0.137 0.000 1.218 1344 G CA 1.095 46.283 45.100 0.146 0.000 0.787 1344 G HN 0.504 nan 8.290 nan 0.000 0.571 1345 R N 0.632 121.193 120.500 0.102 0.000 2.159 1345 R HA -0.231 4.108 4.340 -0.001 0.000 0.252 1345 R C 2.834 179.199 176.300 0.109 0.000 1.144 1345 R CA 2.004 58.153 56.100 0.083 0.000 0.961 1345 R CB -0.599 29.738 30.300 0.061 0.000 0.877 1345 R HN 0.339 nan 8.270 nan 0.000 0.444 1346 A N 0.017 122.904 122.820 0.112 0.000 1.933 1346 A HA -0.087 4.233 4.320 -0.001 0.000 0.218 1346 A C 2.274 179.991 177.584 0.221 0.000 1.175 1346 A CA 1.773 53.891 52.037 0.135 0.000 0.628 1346 A CB -0.517 18.543 19.000 0.099 0.000 0.814 1346 A HN 0.563 nan 8.150 nan 0.000 0.444 1347 A N -0.724 122.234 122.820 0.229 0.000 1.898 1347 A HA 0.131 4.450 4.320 -0.001 0.000 0.214 1347 A C 2.051 179.774 177.584 0.233 0.000 1.183 1347 A CA 1.359 53.586 52.037 0.318 0.000 0.622 1347 A CB -0.588 18.602 19.000 0.317 0.000 0.824 1347 A HN 0.625 nan 8.150 nan 0.000 0.444 1348 L N -1.113 120.160 121.223 0.083 0.000 2.043 1348 L HA -0.225 4.114 4.340 -0.001 0.000 0.212 1348 L C 2.273 179.118 176.870 -0.042 0.000 1.075 1348 L CA 2.614 57.331 54.840 -0.205 0.000 0.752 1348 L CB -0.939 40.956 42.059 -0.273 0.000 0.891 1348 L HN 0.561 nan 8.230 nan 0.000 0.432 1349 Y N 0.168 120.467 120.300 -0.002 0.000 2.089 1349 Y HA -0.274 4.276 4.550 -0.001 0.000 0.282 1349 Y C 2.725 178.707 175.900 0.137 0.000 1.139 1349 Y CA 2.314 60.448 58.100 0.057 0.000 1.123 1349 Y CB -0.308 38.203 38.460 0.085 0.000 0.980 1349 Y HN 0.152 nan 8.280 nan 0.000 0.493 1350 K N -0.025 120.589 120.400 0.357 0.000 2.077 1350 K HA -0.329 3.990 4.320 -0.001 0.000 0.213 1350 K C 1.998 178.730 176.600 0.220 0.000 1.051 1350 K CA 2.294 58.763 56.287 0.303 0.000 0.929 1350 K CB -0.233 32.438 32.500 0.286 0.000 0.715 1350 K HN 0.324 nan 8.250 nan 0.000 0.451 1351 E N -0.121 120.185 120.200 0.175 0.000 2.152 1351 E HA -0.070 4.280 4.350 -0.001 0.000 0.192 1351 E C 1.785 178.399 176.600 0.023 0.000 0.983 1351 E CA 0.507 56.986 56.400 0.133 0.000 0.818 1351 E CB 0.153 29.941 29.700 0.148 0.000 0.758 1351 E HN 0.075 nan 8.360 nan 0.000 0.467 1352 V N 0.096 119.968 119.914 -0.070 0.000 2.283 1352 V HA -0.229 3.890 4.120 -0.001 0.000 0.243 1352 V C 2.015 178.040 176.094 -0.116 0.000 1.039 1352 V CA 1.945 64.175 62.300 -0.117 0.000 1.016 1352 V CB -0.625 31.093 31.823 -0.174 0.000 0.650 1352 V HN 0.425 nan 8.190 nan 0.000 0.449 1353 Y N 1.118 121.215 120.300 -0.339 0.000 2.315 1353 Y HA -0.241 4.308 4.550 -0.001 0.000 0.288 1353 Y C 2.412 178.270 175.900 -0.070 0.000 1.154 1353 Y CA 2.023 59.960 58.100 -0.272 0.000 1.229 1353 Y CB -0.303 37.896 38.460 -0.435 0.000 0.980 1353 Y HN 0.266 nan 8.280 nan 0.000 0.540 1354 N N -0.124 118.544 118.700 -0.052 0.000 2.216 1354 N HA -0.154 4.585 4.740 -0.001 0.000 0.183 1354 N C 1.927 177.389 175.510 -0.080 0.000 1.017 1354 N CA 1.237 54.246 53.050 -0.069 0.000 0.861 1354 N CB -0.179 38.366 38.487 0.096 0.000 0.986 1354 N HN 0.343 nan 8.380 nan 0.000 0.428 1355 V N 2.112 121.999 119.914 -0.046 0.000 2.282 1355 V HA -0.255 3.864 4.120 -0.001 0.000 0.249 1355 V C 2.348 178.406 176.094 -0.060 0.000 1.057 1355 V CA 1.265 63.550 62.300 -0.024 0.000 1.032 1355 V CB -0.303 31.511 31.823 -0.015 0.000 0.645 1355 V HN 0.223 nan 8.190 nan 0.000 0.447 1356 I N 0.355 120.849 120.570 -0.127 0.000 2.090 1356 I HA -0.168 4.001 4.170 -0.001 0.000 0.236 1356 I C 2.623 178.645 176.117 -0.159 0.000 1.064 1356 I CA 2.148 63.369 61.300 -0.131 0.000 1.324 1356 I CB -1.825 36.092 38.000 -0.139 0.000 1.044 1356 I HN 0.314 nan 8.210 nan 0.000 0.399 1357 A N 0.555 123.167 122.820 -0.347 0.000 2.066 1357 A HA -0.120 4.199 4.320 -0.001 0.000 0.218 1357 A C 2.434 179.939 177.584 -0.131 0.000 1.157 1357 A CA 1.578 53.434 52.037 -0.301 0.000 0.670 1357 A CB -0.702 17.916 19.000 -0.636 0.000 0.804 1357 A HN 0.573 nan 8.150 nan 0.000 0.453 1358 S N -0.310 115.342 115.700 -0.080 0.000 2.423 1358 S HA -0.172 4.297 4.470 -0.001 0.000 0.231 1358 S C 1.376 176.009 174.600 0.055 0.000 1.014 1358 S CA 1.566 59.790 58.200 0.040 0.000 0.965 1358 S CB -0.437 62.841 63.200 0.131 0.000 0.785 1358 S HN 0.516 nan 8.310 nan 0.000 0.495 1359 D N 0.632 121.047 120.400 0.025 0.000 2.317 1359 D HA 0.276 4.916 4.640 -0.001 0.000 0.211 1359 D C 1.479 177.801 176.300 0.037 0.000 0.966 1359 D CA 1.215 55.241 54.000 0.044 0.000 0.876 1359 D CB -0.100 40.713 40.800 0.021 0.000 0.927 1359 D HN 0.597 nan 8.370 nan 0.000 0.519 1360 G N -0.910 107.901 108.800 0.019 0.000 2.307 1360 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.210 1360 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.210 1360 G C 0.612 175.534 174.900 0.035 0.000 1.005 1360 G CA 0.156 45.268 45.100 0.020 0.000 0.634 1360 G HN 0.327 nan 8.290 nan 0.000 0.496 1361 S N -0.363 115.357 115.700 0.035 0.000 2.626 1361 S HA 0.585 5.055 4.470 -0.001 0.000 0.257 1361 S C -0.421 174.260 174.600 0.136 0.000 1.288 1361 S CA 0.652 58.888 58.200 0.061 0.000 0.980 1361 S CB 1.270 64.482 63.200 0.020 0.000 0.975 1361 S HN 1.373 nan 8.310 nan 0.000 0.577 1362 Y N -0.226 120.089 120.300 0.025 0.000 2.287 1362 Y HA 0.514 5.063 4.550 -0.001 0.000 0.325 1362 Y C -1.413 174.552 175.900 0.108 0.000 1.139 1362 Y CA -0.781 57.365 58.100 0.076 0.000 1.167 1362 Y CB 0.154 38.673 38.460 0.098 0.000 1.158 1362 Y HN 0.411 nan 8.280 nan 0.000 0.434 1363 V N 4.741 124.481 119.914 -0.290 0.000 2.973 1363 V HA 0.328 4.447 4.120 -0.001 0.000 0.314 1363 V C -0.076 175.758 176.094 -0.433 0.000 1.066 1363 V CA -0.949 61.148 62.300 -0.339 0.000 1.021 1363 V CB 1.806 33.569 31.823 -0.099 0.000 1.076 1363 V HN 0.822 nan 8.190 nan 0.000 0.462 1364 N N 0.332 118.950 118.700 -0.136 0.000 2.520 1364 N HA 0.078 4.817 4.740 -0.001 0.000 0.273 1364 N C 0.639 176.266 175.510 0.195 0.000 1.155 1364 N CA -0.131 52.945 53.050 0.043 0.000 0.967 1364 N CB 0.376 38.954 38.487 0.151 0.000 1.092 1364 N HN 0.667 nan 8.380 nan 0.000 0.457 1365 Y N 4.443 124.854 120.300 0.185 0.000 2.228 1365 Y HA -0.340 4.209 4.550 -0.001 0.000 0.285 1365 Y C 1.836 177.777 175.900 0.068 0.000 1.178 1365 Y CA 2.063 60.295 58.100 0.220 0.000 1.202 1365 Y CB -0.002 38.565 38.460 0.178 0.000 0.974 1365 Y HN 0.666 nan 8.280 nan 0.000 0.527 1366 R N -1.094 119.260 120.500 -0.242 0.000 2.081 1366 R HA -0.177 4.162 4.340 -0.001 0.000 0.235 1366 R C 1.917 177.924 176.300 -0.489 0.000 1.131 1366 R CA 1.719 57.500 56.100 -0.532 0.000 0.960 1366 R CB -1.224 28.738 30.300 -0.562 0.000 0.856 1366 R HN 0.465 nan 8.270 nan 0.000 0.436 1367 H N 1.039 120.031 119.070 -0.130 0.000 2.293 1367 H HA -0.008 4.548 4.556 -0.001 0.000 0.300 1367 H C 2.331 177.603 175.328 -0.094 0.000 1.082 1367 H CA 1.834 57.836 56.048 -0.078 0.000 1.308 1367 H CB -0.313 29.427 29.762 -0.036 0.000 1.375 1367 H HN 0.199 nan 8.280 nan 0.000 0.495 1368 M N 0.563 120.201 119.600 0.063 0.000 2.065 1368 M HA -0.143 4.336 4.480 -0.001 0.000 0.259 1368 M C 2.877 179.192 176.300 0.026 0.000 1.071 1368 M CA 1.579 56.905 55.300 0.043 0.000 1.109 1368 M CB -0.429 32.212 32.600 0.068 0.000 1.313 1368 M HN 0.260 nan 8.290 nan 0.000 0.408 1369 A N 0.223 122.997 122.820 -0.076 0.000 1.971 1369 A HA -0.234 4.085 4.320 -0.001 0.000 0.222 1369 A C 2.123 179.600 177.584 -0.178 0.000 1.182 1369 A CA 1.901 53.795 52.037 -0.238 0.000 0.649 1369 A CB -1.003 17.500 19.000 -0.827 0.000 0.818 1369 A HN 0.503 nan 8.150 nan 0.000 0.458 1370 L N -1.107 120.004 121.223 -0.188 0.000 2.093 1370 L HA -0.053 4.287 4.340 -0.001 0.000 0.208 1370 L C 2.200 179.023 176.870 -0.078 0.000 1.085 1370 L CA 1.750 56.511 54.840 -0.132 0.000 0.755 1370 L CB -0.396 41.598 42.059 -0.109 0.000 0.904 1370 L HN 0.424 nan 8.230 nan 0.000 0.435 1371 L N -1.110 120.076 121.223 -0.062 0.000 1.948 1371 L HA -0.158 4.181 4.340 -0.001 0.000 0.212 1371 L C 2.394 179.232 176.870 -0.053 0.000 1.074 1371 L CA 2.091 56.892 54.840 -0.065 0.000 0.753 1371 L CB -1.137 40.886 42.059 -0.061 0.000 0.888 1371 L HN 0.036 nan 8.230 nan 0.000 0.432 1372 V N 0.616 120.513 119.914 -0.028 0.000 2.311 1372 V HA -0.408 3.711 4.120 -0.001 0.000 0.256 1372 V C 2.381 178.469 176.094 -0.010 0.000 1.077 1372 V CA 2.356 64.653 62.300 -0.004 0.000 1.067 1372 V CB -0.799 31.076 31.823 0.085 0.000 0.659 1372 V HN 0.610 nan 8.190 nan 0.000 0.451 1373 D N -0.824 119.559 120.400 -0.028 0.000 2.149 1373 D HA -0.092 4.548 4.640 -0.001 0.000 0.201 1373 D C 2.150 178.436 176.300 -0.022 0.000 0.972 1373 D CA 1.313 55.298 54.000 -0.024 0.000 0.835 1373 D CB -0.077 40.697 40.800 -0.042 0.000 0.966 1373 D HN 0.370 nan 8.370 nan 0.000 0.476 1374 V N 1.534 121.425 119.914 -0.037 0.000 2.287 1374 V HA -0.238 3.881 4.120 -0.001 0.000 0.248 1374 V C 2.351 178.438 176.094 -0.011 0.000 1.053 1374 V CA 1.321 63.600 62.300 -0.035 0.000 1.027 1374 V CB -0.452 31.332 31.823 -0.064 0.000 0.646 1374 V HN 0.226 nan 8.190 nan 0.000 0.447 1375 M N -0.716 118.876 119.600 -0.012 0.000 2.814 1375 M HA -0.103 4.376 4.480 -0.001 0.000 0.237 1375 M C 1.441 177.763 176.300 0.036 0.000 1.039 1375 M CA 1.140 56.450 55.300 0.017 0.000 1.071 1375 M CB -0.381 32.222 32.600 0.004 0.000 1.501 1375 M HN 0.379 nan 8.290 nan 0.000 0.558 1376 T N -2.050 112.521 114.554 0.028 0.000 3.236 1376 T HA -0.001 4.349 4.350 -0.001 0.000 0.265 1376 T C 1.666 176.388 174.700 0.037 0.000 0.912 1376 T CA 0.846 62.970 62.100 0.039 0.000 0.946 1376 T CB 0.192 69.082 68.868 0.037 0.000 1.241 1376 T HN 0.460 nan 8.240 nan 0.000 0.513 1377 T N 0.356 114.925 114.554 0.024 0.000 3.051 1377 T HA -0.017 4.333 4.350 -0.001 0.000 0.269 1377 T C 1.713 176.429 174.700 0.027 0.000 1.127 1377 T CA 1.014 63.128 62.100 0.023 0.000 1.107 1377 T CB -0.140 68.729 68.868 0.002 0.000 0.898 1377 T HN 0.287 nan 8.240 nan 0.000 0.517 1378 Q N 0.876 120.694 119.800 0.030 0.000 2.046 1378 Q HA 0.167 4.506 4.340 -0.001 0.000 0.200 1378 Q C 1.944 177.967 176.000 0.038 0.000 0.975 1378 Q CA 1.702 57.525 55.803 0.034 0.000 0.836 1378 Q CB -0.175 28.587 28.738 0.040 0.000 0.896 1378 Q HN 0.747 nan 8.270 nan 0.000 0.428 1379 G N -2.423 106.403 108.800 0.043 0.000 4.366 1379 G HA2 -0.027 3.932 3.960 -0.001 0.000 0.194 1379 G HA3 -0.027 3.932 3.960 -0.001 0.000 0.194 1379 G C 0.412 175.342 174.900 0.050 0.000 1.275 1379 G CA 0.068 45.194 45.100 0.044 0.000 0.847 1379 G HN 0.500 nan 8.290 nan 0.000 0.299 1380 G N -0.048 108.785 108.800 0.055 0.000 3.157 1380 G HA2 0.564 4.524 3.960 -0.001 0.000 0.206 1380 G HA3 0.564 4.524 3.960 -0.001 0.000 0.206 1380 G C -0.564 174.387 174.900 0.084 0.000 1.903 1380 G CA -0.276 44.864 45.100 0.066 0.000 0.771 1380 G HN 0.573 nan 8.290 nan 0.000 0.750 1381 L N 2.073 123.354 121.223 0.097 0.000 2.388 1381 L HA 0.344 4.683 4.340 -0.001 0.000 0.267 1381 L C -0.610 176.329 176.870 0.115 0.000 0.995 1381 L CA -0.645 54.271 54.840 0.127 0.000 0.864 1381 L CB 1.926 44.102 42.059 0.194 0.000 1.216 1381 L HN 0.381 nan 8.230 nan 0.000 0.430 1382 T N -0.992 113.622 114.554 0.100 0.000 2.747 1382 T HA 0.292 4.641 4.350 -0.001 0.000 0.301 1382 T C 0.604 175.381 174.700 0.128 0.000 0.952 1382 T CA -0.751 61.412 62.100 0.106 0.000 0.983 1382 T CB 0.731 69.654 68.868 0.092 0.000 0.930 1382 T HN 0.551 nan 8.240 nan 0.000 0.494 1383 S N 1.937 117.726 115.700 0.148 0.000 2.580 1383 S HA 0.165 4.635 4.470 -0.001 0.000 0.266 1383 S C 0.951 175.680 174.600 0.215 0.000 1.354 1383 S CA -0.653 57.647 58.200 0.166 0.000 1.008 1383 S CB 0.388 63.694 63.200 0.177 0.000 0.898 1383 S HN 1.140 nan 8.310 nan 0.000 0.555 1384 V N -0.607 119.420 119.914 0.187 0.000 2.443 1384 V HA 0.467 4.587 4.120 -0.001 0.000 0.326 1384 V C -0.096 176.237 176.094 0.397 0.000 1.580 1384 V CA -0.266 62.185 62.300 0.252 0.000 1.629 1384 V CB -1.826 29.973 31.823 -0.042 0.000 1.471 1384 V HN 0.932 nan 8.190 nan 0.000 0.532 1385 T N 0.170 114.925 114.554 0.334 0.000 2.804 1385 T HA 0.433 4.782 4.350 -0.001 0.000 0.290 1385 T C 0.956 175.561 174.700 -0.157 0.000 1.099 1385 T CA -0.452 61.776 62.100 0.213 0.000 1.011 1385 T CB 1.623 70.662 68.868 0.285 0.000 1.291 1385 T HN 0.487 nan 8.240 nan 0.000 0.523 1386 R N 0.365 120.766 120.500 -0.164 0.000 2.377 1386 R HA -0.090 4.250 4.340 -0.001 0.000 0.207 1386 R C 0.360 176.359 176.300 -0.502 0.000 1.075 1386 R CA 1.252 57.132 56.100 -0.367 0.000 1.035 1386 R CB -0.526 29.637 30.300 -0.228 0.000 0.857 1386 R HN 0.675 nan 8.270 nan 0.000 0.475 1387 H N -0.811 118.231 119.070 -0.047 0.000 2.549 1387 H HA 0.298 4.853 4.556 -0.001 0.000 0.279 1387 H C 0.963 176.276 175.328 -0.025 0.000 1.018 1387 H CA 0.481 56.514 56.048 -0.025 0.000 1.175 1387 H CB 0.917 30.690 29.762 0.017 0.000 1.485 1387 H HN 0.416 nan 8.280 nan 0.000 0.543 1388 G N 0.686 109.482 108.800 -0.006 0.000 3.267 1388 G HA2 0.137 4.096 3.960 -0.001 0.000 0.200 1388 G HA3 0.137 4.096 3.960 -0.001 0.000 0.200 1388 G C 1.026 175.897 174.900 -0.048 0.000 1.603 1388 G CA -0.073 45.058 45.100 0.051 0.000 0.753 1388 G HN 0.179 nan 8.290 nan 0.000 0.755 1389 F N 1.400 121.301 119.950 -0.082 0.000 2.115 1389 F HA -0.187 4.340 4.527 -0.001 0.000 0.300 1389 F C 1.956 177.684 175.800 -0.120 0.000 1.092 1389 F CA 1.920 59.853 58.000 -0.112 0.000 1.245 1389 F CB -0.726 38.175 39.000 -0.165 0.000 0.995 1389 F HN 0.263 nan 8.300 nan 0.000 0.481 1390 N N 1.007 119.046 118.700 -1.102 0.000 2.364 1390 N HA -0.174 4.565 4.740 -0.001 0.000 0.183 1390 N C 1.641 176.974 175.510 -0.295 0.000 1.022 1390 N CA 1.312 53.934 53.050 -0.714 0.000 0.883 1390 N CB -0.220 37.792 38.487 -0.792 0.000 0.965 1390 N HN 0.530 nan 8.380 nan 0.000 0.438 1391 R N -0.248 120.116 120.500 -0.227 0.000 2.275 1391 R HA 0.183 4.523 4.340 -0.001 0.000 0.199 1391 R C 0.934 177.194 176.300 -0.066 0.000 0.989 1391 R CA 0.153 56.184 56.100 -0.114 0.000 1.016 1391 R CB -0.816 29.441 30.300 -0.071 0.000 0.918 1391 R HN 0.055 nan 8.270 nan 0.000 0.473 1392 S N 1.770 117.437 115.700 -0.055 0.000 2.580 1392 S HA -0.043 4.426 4.470 -0.001 0.000 0.266 1392 S C 0.445 175.036 174.600 -0.015 0.000 1.354 1392 S CA -0.336 57.855 58.200 -0.015 0.000 1.008 1392 S CB 0.200 63.408 63.200 0.013 0.000 0.898 1392 S HN 0.638 nan 8.310 nan 0.000 0.555 1393 N N 2.500 121.199 118.700 -0.002 0.000 3.250 1393 N HA 0.085 4.825 4.740 -0.001 0.000 0.307 1393 N C -0.018 175.500 175.510 0.013 0.000 1.355 1393 N CA -0.499 52.552 53.050 0.001 0.000 1.192 1393 N CB -0.163 38.325 38.487 0.002 0.000 1.478 1393 N HN 0.463 nan 8.380 nan 0.000 0.543 1394 T N -0.136 114.428 114.554 0.017 0.000 3.141 1394 T HA 0.137 4.486 4.350 -0.001 0.000 0.391 1394 T C 1.122 175.845 174.700 0.037 0.000 1.170 1394 T CA -0.105 62.013 62.100 0.030 0.000 1.054 1394 T CB -0.104 68.787 68.868 0.039 0.000 1.487 1394 T HN 0.400 nan 8.240 nan 0.000 0.530 1395 G N -0.591 108.239 108.800 0.051 0.000 2.355 1395 G HA2 0.441 4.401 3.960 -0.001 0.000 0.276 1395 G HA3 0.441 4.401 3.960 -0.001 0.000 0.276 1395 G C 1.125 176.069 174.900 0.074 0.000 1.198 1395 G CA -0.139 45.005 45.100 0.073 0.000 0.876 1395 G HN 0.848 nan 8.290 nan 0.000 0.478 1396 A N 3.103 125.975 122.820 0.086 0.000 1.944 1396 A HA -0.206 4.113 4.320 -0.001 0.000 0.222 1396 A C 2.317 179.925 177.584 0.041 0.000 1.237 1396 A CA 1.757 53.807 52.037 0.022 0.000 0.668 1396 A CB -0.453 18.547 19.000 -0.001 0.000 0.830 1396 A HN 0.635 nan 8.150 nan 0.000 0.471 1397 L N -1.433 119.890 121.223 0.166 0.000 2.131 1397 L HA -0.123 4.216 4.340 -0.001 0.000 0.206 1397 L C 2.842 179.769 176.870 0.095 0.000 1.087 1397 L CA 1.550 56.486 54.840 0.159 0.000 0.767 1397 L CB -0.295 41.883 42.059 0.198 0.000 0.917 1397 L HN 0.767 nan 8.230 nan 0.000 0.441 1398 M N -1.608 118.043 119.600 0.086 0.000 2.319 1398 M HA -0.115 4.365 4.480 -0.001 0.000 0.265 1398 M C 2.043 178.391 176.300 0.081 0.000 1.068 1398 M CA 1.561 56.907 55.300 0.076 0.000 1.118 1398 M CB -0.284 32.356 32.600 0.067 0.000 1.395 1398 M HN -0.108 nan 8.290 nan 0.000 0.435 1399 R N 0.186 120.721 120.500 0.058 0.000 2.193 1399 R HA 0.000 4.340 4.340 -0.001 0.000 0.213 1399 R C 2.563 178.898 176.300 0.057 0.000 1.055 1399 R CA 1.216 57.344 56.100 0.048 0.000 0.995 1399 R CB -0.431 29.867 30.300 -0.003 0.000 0.893 1399 R HN 0.797 nan 8.270 nan 0.000 0.459 1400 C N 0.060 119.378 119.300 0.031 0.000 2.464 1400 C HA 0.060 4.520 4.460 -0.001 0.000 0.278 1400 C C 2.432 177.442 174.990 0.034 0.000 1.375 1400 C CA 0.422 59.441 59.018 0.001 0.000 1.761 1400 C CB -0.709 27.008 27.740 -0.039 0.000 1.944 1400 C HN 0.385 nan 8.230 nan 0.000 0.509 1401 S N -0.504 115.241 115.700 0.075 0.000 2.660 1401 S HA 0.008 4.477 4.470 -0.001 0.000 0.228 1401 S C 1.062 175.751 174.600 0.149 0.000 0.966 1401 S CA 0.746 58.998 58.200 0.086 0.000 0.940 1401 S CB -0.845 62.409 63.200 0.090 0.000 0.773 1401 S HN 0.781 nan 8.310 nan 0.000 0.535 1402 F N 1.493 121.452 119.950 0.015 0.000 2.390 1402 F HA 0.529 5.055 4.527 -0.001 0.000 0.281 1402 F C 0.436 176.248 175.800 0.019 0.000 1.016 1402 F CA 0.042 58.068 58.000 0.043 0.000 1.286 1402 F CB 0.441 39.484 39.000 0.073 0.000 1.134 1402 F HN 0.154 nan 8.300 nan 0.000 0.597 1403 E N -0.060 120.009 120.200 -0.218 0.000 2.380 1403 E HA 0.226 4.576 4.350 -0.001 0.000 0.281 1403 E C -1.320 175.199 176.600 -0.135 0.000 0.999 1403 E CA -0.605 55.595 56.400 -0.334 0.000 0.800 1403 E CB 1.690 31.053 29.700 -0.561 0.000 1.228 1403 E HN 0.190 nan 8.360 nan 0.000 0.436 1404 E N 0.698 120.811 120.200 -0.144 0.000 2.257 1404 E HA -0.194 4.156 4.350 -0.001 0.000 0.217 1404 E C 0.122 176.647 176.600 -0.125 0.000 1.248 1404 E CA 0.638 56.967 56.400 -0.119 0.000 0.691 1404 E CB -1.591 28.050 29.700 -0.098 0.000 1.185 1404 E HN 0.624 nan 8.360 nan 0.000 0.377 1405 T N -1.536 112.938 114.554 -0.133 0.000 2.881 1405 T HA -0.113 4.236 4.350 -0.001 0.000 0.270 1405 T C 1.850 176.429 174.700 -0.202 0.000 1.068 1405 T CA 1.442 63.462 62.100 -0.134 0.000 1.131 1405 T CB 0.107 68.908 68.868 -0.113 0.000 0.871 1405 T HN 0.252 nan 8.240 nan 0.000 0.479 1406 V N 2.174 121.931 119.914 -0.262 0.000 2.341 1406 V HA -0.034 4.085 4.120 -0.001 0.000 0.240 1406 V C 2.741 178.504 176.094 -0.552 0.000 1.035 1406 V CA 1.028 63.041 62.300 -0.479 0.000 1.033 1406 V CB -0.706 30.810 31.823 -0.512 0.000 0.678 1406 V HN 0.477 nan 8.190 nan 0.000 0.464 1407 E N 0.841 120.878 120.200 -0.273 0.000 2.204 1407 E HA -0.178 4.171 4.350 -0.001 0.000 0.195 1407 E C 2.207 178.769 176.600 -0.062 0.000 0.990 1407 E CA 1.223 57.588 56.400 -0.059 0.000 0.821 1407 E CB -0.394 29.314 29.700 0.013 0.000 0.750 1407 E HN 0.452 nan 8.360 nan 0.000 0.477 1408 I N 1.578 122.069 120.570 -0.131 0.000 2.142 1408 I HA -0.206 3.963 4.170 -0.001 0.000 0.240 1408 I C 2.646 178.645 176.117 -0.198 0.000 1.078 1408 I CA 0.986 62.204 61.300 -0.137 0.000 1.343 1408 I CB -0.867 37.059 38.000 -0.123 0.000 1.046 1408 I HN 0.126 nan 8.210 nan 0.000 0.405 1409 L N -1.042 120.029 121.223 -0.254 0.000 2.217 1409 L HA -0.161 4.178 4.340 -0.001 0.000 0.211 1409 L C 2.519 179.293 176.870 -0.160 0.000 1.107 1409 L CA 0.967 55.605 54.840 -0.336 0.000 0.783 1409 L CB -0.508 41.386 42.059 -0.276 0.000 0.919 1409 L HN 0.095 nan 8.230 nan 0.000 0.442 1410 F N 1.047 120.920 119.950 -0.129 0.000 2.022 1410 F HA -0.235 4.292 4.527 -0.001 0.000 0.293 1410 F C 2.672 178.503 175.800 0.051 0.000 1.142 1410 F CA 1.115 59.087 58.000 -0.046 0.000 1.177 1410 F CB -0.227 38.695 39.000 -0.130 0.000 0.982 1410 F HN 0.173 nan 8.300 nan 0.000 0.473 1411 E N 1.006 121.332 120.200 0.210 0.000 2.396 1411 E HA -0.184 4.166 4.350 -0.001 0.000 0.200 1411 E C 1.738 178.316 176.600 -0.038 0.000 1.023 1411 E CA 0.840 57.274 56.400 0.057 0.000 0.857 1411 E CB -0.355 29.319 29.700 -0.044 0.000 0.775 1411 E HN 0.407 nan 8.360 nan 0.000 0.525 1412 A N 1.510 124.278 122.820 -0.087 0.000 1.975 1412 A HA 0.143 4.462 4.320 -0.001 0.000 0.215 1412 A C 2.392 179.957 177.584 -0.031 0.000 1.170 1412 A CA 0.924 52.846 52.037 -0.193 0.000 0.656 1412 A CB -0.556 18.092 19.000 -0.587 0.000 0.821 1412 A HN 0.393 nan 8.150 nan 0.000 0.449 1413 G N -0.617 108.225 108.800 0.068 0.000 2.430 1413 G HA2 0.164 4.124 3.960 -0.001 0.000 0.216 1413 G HA3 0.164 4.124 3.960 -0.001 0.000 0.216 1413 G C 1.615 176.600 174.900 0.141 0.000 1.146 1413 G CA 1.127 46.357 45.100 0.217 0.000 0.793 1413 G HN 0.650 nan 8.290 nan 0.000 0.537 1414 A N 0.874 123.730 122.820 0.061 0.000 1.854 1414 A HA 0.133 4.452 4.320 -0.001 0.000 0.214 1414 A C 2.258 179.737 177.584 -0.174 0.000 1.192 1414 A CA 1.744 53.715 52.037 -0.111 0.000 0.611 1414 A CB -0.425 18.444 19.000 -0.219 0.000 0.832 1414 A HN 0.223 nan 8.150 nan 0.000 0.442 1415 S N 0.532 116.111 115.700 -0.202 0.000 2.840 1415 S HA 0.432 4.901 4.470 -0.001 0.000 0.235 1415 S C 0.732 175.307 174.600 -0.042 0.000 0.968 1415 S CA 0.246 58.311 58.200 -0.225 0.000 1.026 1415 S CB -0.896 62.167 63.200 -0.229 0.000 0.788 1415 S HN 1.111 nan 8.310 nan 0.000 0.487 1416 A N 2.410 125.269 122.820 0.065 0.000 1.594 1416 A HA -0.206 4.113 4.320 -0.001 0.000 0.309 1416 A C 0.252 177.951 177.584 0.192 0.000 1.079 1416 A CA 0.725 52.883 52.037 0.201 0.000 1.316 1416 A CB -0.766 18.412 19.000 0.296 0.000 0.863 1416 A HN 0.645 nan 8.150 nan 0.000 0.223 1417 E N 0.939 121.271 120.200 0.220 0.000 2.175 1417 E HA 0.526 4.876 4.350 -0.001 0.000 0.278 1417 E C -0.235 176.507 176.600 0.237 0.000 0.969 1417 E CA -1.014 55.496 56.400 0.184 0.000 0.796 1417 E CB 1.578 31.365 29.700 0.145 0.000 1.104 1417 E HN 0.584 nan 8.360 nan 0.000 0.395 1418 L N 2.625 123.943 121.223 0.158 0.000 2.397 1418 L HA 0.166 4.505 4.340 -0.001 0.000 0.271 1418 L C -0.332 176.614 176.870 0.127 0.000 1.148 1418 L CA 0.394 55.312 54.840 0.131 0.000 0.825 1418 L CB 0.694 42.804 42.059 0.086 0.000 1.117 1418 L HN 0.508 nan 8.230 nan 0.000 0.456 1419 D N 2.729 123.191 120.400 0.104 0.000 2.408 1419 D HA 0.104 4.743 4.640 -0.001 0.000 0.243 1419 D C 0.172 176.510 176.300 0.064 0.000 1.075 1419 D CA -0.357 53.706 54.000 0.105 0.000 0.832 1419 D CB 1.530 42.416 40.800 0.144 0.000 1.162 1419 D HN 0.618 nan 8.370 nan 0.000 0.515 1420 D N 1.881 122.319 120.400 0.063 0.000 2.126 1420 D HA -0.167 4.472 4.640 -0.001 0.000 0.190 1420 D C 0.846 177.171 176.300 0.041 0.000 1.001 1420 D CA 1.058 55.087 54.000 0.049 0.000 0.841 1420 D CB -0.064 40.765 40.800 0.049 0.000 0.949 1420 D HN 0.602 nan 8.370 nan 0.000 0.446 1421 C N -0.289 119.038 119.300 0.046 0.000 4.424 1421 C HA -0.164 4.295 4.460 -0.001 0.000 0.304 1421 C C 1.330 176.339 174.990 0.031 0.000 1.344 1421 C CA 0.052 59.092 59.018 0.036 0.000 2.033 1421 C CB -2.605 25.148 27.740 0.023 0.000 1.264 1421 C HN 0.412 nan 8.230 nan 0.000 0.750 1422 R N -0.026 120.497 120.500 0.037 0.000 2.419 1422 R HA 0.249 4.588 4.340 -0.001 0.000 0.235 1422 R C 1.306 177.625 176.300 0.031 0.000 0.899 1422 R CA 0.584 56.705 56.100 0.035 0.000 1.048 1422 R CB 0.458 30.787 30.300 0.048 0.000 1.182 1422 R HN 0.586 nan 8.270 nan 0.000 0.544 1423 G N 0.409 109.230 108.800 0.034 0.000 2.467 1423 G HA2 0.227 4.186 3.960 -0.001 0.000 0.257 1423 G HA3 0.227 4.186 3.960 -0.001 0.000 0.257 1423 G C 1.184 176.096 174.900 0.020 0.000 1.227 1423 G CA -0.580 44.538 45.100 0.031 0.000 0.835 1423 G HN -0.122 nan 8.290 nan 0.000 0.556 1424 V N 2.265 122.185 119.914 0.010 0.000 2.220 1424 V HA -0.256 3.863 4.120 -0.001 0.000 0.250 1424 V C 3.052 179.154 176.094 0.014 0.000 1.056 1424 V CA 2.591 64.893 62.300 0.002 0.000 1.016 1424 V CB -1.071 30.749 31.823 -0.005 0.000 0.639 1424 V HN 0.710 nan 8.190 nan 0.000 0.446 1425 S N -0.455 115.260 115.700 0.026 0.000 2.392 1425 S HA -0.266 4.203 4.470 -0.001 0.000 0.232 1425 S C 1.882 176.506 174.600 0.040 0.000 1.041 1425 S CA 1.964 60.187 58.200 0.037 0.000 1.026 1425 S CB -0.438 62.794 63.200 0.053 0.000 0.845 1425 S HN 0.784 nan 8.310 nan 0.000 0.465 1426 E N 1.257 121.483 120.200 0.043 0.000 2.051 1426 E HA -0.119 4.230 4.350 -0.001 0.000 0.192 1426 E C 1.645 178.264 176.600 0.031 0.000 0.991 1426 E CA 0.840 57.268 56.400 0.047 0.000 0.799 1426 E CB -0.416 29.316 29.700 0.052 0.000 0.748 1426 E HN 0.508 nan 8.360 nan 0.000 0.449 1427 N N 0.986 119.698 118.700 0.020 0.000 2.309 1427 N HA -0.080 4.660 4.740 -0.001 0.000 0.182 1427 N C 2.061 177.577 175.510 0.010 0.000 1.018 1427 N CA 0.611 53.667 53.050 0.010 0.000 0.876 1427 N CB 0.116 38.604 38.487 0.000 0.000 0.972 1427 N HN 0.009 nan 8.380 nan 0.000 0.434 1428 V N 2.107 122.029 119.914 0.013 0.000 2.223 1428 V HA -0.227 3.893 4.120 -0.001 0.000 0.244 1428 V C 2.386 178.491 176.094 0.018 0.000 1.045 1428 V CA 1.339 63.647 62.300 0.014 0.000 1.000 1428 V CB -0.453 31.380 31.823 0.016 0.000 0.635 1428 V HN 0.159 nan 8.190 nan 0.000 0.445 1429 I N -0.200 120.385 120.570 0.025 0.000 2.074 1429 I HA -0.349 3.820 4.170 -0.001 0.000 0.238 1429 I C 2.208 178.338 176.117 0.022 0.000 1.037 1429 I CA 2.054 63.371 61.300 0.028 0.000 1.301 1429 I CB -0.408 37.616 38.000 0.040 0.000 1.016 1429 I HN 0.261 nan 8.210 nan 0.000 0.400 1430 L N 0.634 121.869 121.223 0.019 0.000 2.450 1430 L HA -0.001 4.339 4.340 -0.001 0.000 0.224 1430 L C 1.374 178.250 176.870 0.010 0.000 1.149 1430 L CA 0.671 55.518 54.840 0.012 0.000 0.816 1430 L CB -1.089 40.975 42.059 0.008 0.000 0.932 1430 L HN 0.547 nan 8.230 nan 0.000 0.449 1431 G N 0.642 109.449 108.800 0.011 0.000 2.333 1431 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.296 1431 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.296 1431 G C -0.132 174.772 174.900 0.007 0.000 1.059 1431 G CA 0.115 45.221 45.100 0.010 0.000 1.050 1431 G HN 0.503 nan 8.290 nan 0.000 0.508 1432 Q N -0.757 119.045 119.800 0.003 0.000 2.445 1432 Q HA 0.701 5.040 4.340 -0.001 0.000 0.281 1432 Q C 0.465 176.460 176.000 -0.008 0.000 1.101 1432 Q CA -1.220 54.583 55.803 -0.000 0.000 0.833 1432 Q CB 1.276 30.013 28.738 -0.001 0.000 1.416 1432 Q HN 0.357 nan 8.270 nan 0.000 0.451 1433 M N 1.574 121.165 119.600 -0.015 0.000 2.246 1433 M HA 0.294 4.774 4.480 -0.001 0.000 0.350 1433 M C -0.474 175.803 176.300 -0.039 0.000 1.406 1433 M CA -0.107 55.176 55.300 -0.029 0.000 1.089 1433 M CB 0.472 33.050 32.600 -0.037 0.000 1.782 1433 M HN 0.845 nan 8.290 nan 0.000 0.457 1434 A N 6.797 129.590 122.820 -0.045 0.000 2.425 1434 A HA 0.340 4.659 4.320 -0.001 0.000 0.242 1434 A C -2.252 175.284 177.584 -0.080 0.000 1.077 1434 A CA -1.166 50.840 52.037 -0.051 0.000 0.781 1434 A CB -0.644 18.327 19.000 -0.048 0.000 1.020 1434 A HN 0.653 nan 8.150 nan 0.000 0.494 1435 P HA 0.221 nan 4.420 nan 0.000 0.235 1435 P C -1.069 176.149 177.300 -0.137 0.000 1.720 1435 P CA 0.625 63.664 63.100 -0.101 0.000 1.003 1435 P CB -0.497 31.167 31.700 -0.060 0.000 1.968 1436 I N 0.144 120.620 120.570 -0.156 0.000 2.499 1436 I HA 0.395 4.564 4.170 -0.001 0.000 0.288 1436 I C 1.325 177.335 176.117 -0.179 0.000 1.048 1436 I CA -0.141 61.068 61.300 -0.151 0.000 1.062 1436 I CB 1.280 39.219 38.000 -0.102 0.000 1.238 1436 I HN 0.314 nan 8.210 nan 0.000 0.426 1437 G N 4.357 113.054 108.800 -0.173 0.000 2.678 1437 G HA2 -0.439 3.521 3.960 -0.001 0.000 0.362 1437 G HA3 -0.439 3.521 3.960 -0.001 0.000 0.362 1437 G C 1.242 176.025 174.900 -0.195 0.000 1.169 1437 G CA 1.412 46.429 45.100 -0.138 0.000 0.933 1437 G HN 0.552 nan 8.290 nan 0.000 0.587 1438 T N 1.067 115.541 114.554 -0.135 0.000 2.736 1438 T HA -0.163 4.186 4.350 -0.001 0.000 0.265 1438 T C 1.980 176.369 174.700 -0.518 0.000 1.031 1438 T CA 2.712 64.707 62.100 -0.176 0.000 1.155 1438 T CB -0.589 68.239 68.868 -0.065 0.000 0.849 1438 T HN 1.419 nan 8.240 nan 0.000 0.471 1439 G N -0.969 107.568 108.800 -0.439 0.000 3.690 1439 G HA2 0.496 4.455 3.960 -0.001 0.000 0.283 1439 G HA3 0.496 4.455 3.960 -0.001 0.000 0.283 1439 G C 1.201 175.842 174.900 -0.433 0.000 1.057 1439 G CA 0.564 45.407 45.100 -0.428 0.000 0.821 1439 G HN 0.501 nan 8.290 nan 0.000 0.526 1440 A N 0.497 122.984 122.820 -0.555 0.000 1.970 1440 A HA 0.449 4.768 4.320 -0.001 0.000 0.216 1440 A C 1.033 178.565 177.584 -0.088 0.000 1.170 1440 A CA 0.515 52.386 52.037 -0.277 0.000 0.645 1440 A CB -0.274 18.598 19.000 -0.213 0.000 0.816 1440 A HN 0.438 nan 8.150 nan 0.000 0.447 1441 F N -1.403 118.623 119.950 0.127 0.000 2.456 1441 F HA 0.796 5.322 4.527 -0.001 0.000 0.364 1441 F C -0.301 175.536 175.800 0.062 0.000 1.092 1441 F CA -1.861 56.214 58.000 0.124 0.000 1.125 1441 F CB -0.041 39.043 39.000 0.139 0.000 1.543 1441 F HN -0.162 nan 8.300 nan 0.000 0.504 1442 D N -0.827 119.813 120.400 0.398 0.000 2.531 1442 D HA 0.635 5.274 4.640 -0.001 0.000 0.244 1442 D C -1.350 175.117 176.300 0.279 0.000 1.090 1442 D CA -0.322 53.828 54.000 0.251 0.000 0.989 1442 D CB 2.707 43.585 40.800 0.130 0.000 1.433 1442 D HN 0.364 nan 8.370 nan 0.000 0.492 1443 V N 1.546 121.570 119.914 0.184 0.000 2.604 1443 V HA 0.611 4.731 4.120 -0.001 0.000 0.305 1443 V C -0.217 175.920 176.094 0.071 0.000 1.043 1443 V CA -0.401 61.972 62.300 0.121 0.000 0.888 1443 V CB 1.668 33.570 31.823 0.132 0.000 0.995 1443 V HN 0.483 nan 8.190 nan 0.000 0.429 1444 M N 4.353 123.979 119.600 0.043 0.000 2.704 1444 M HA 0.658 5.137 4.480 -0.001 0.000 0.284 1444 M C -0.651 175.661 176.300 0.020 0.000 1.275 1444 M CA -0.602 54.717 55.300 0.031 0.000 0.811 1444 M CB 2.412 35.028 32.600 0.026 0.000 1.741 1444 M HN 0.666 nan 8.290 nan 0.000 0.458 1445 I N -2.518 118.062 120.570 0.017 0.000 2.918 1445 I HA 0.633 4.802 4.170 -0.001 0.000 0.316 1445 I C -0.815 175.306 176.117 0.007 0.000 1.001 1445 I CA -0.651 60.657 61.300 0.012 0.000 1.142 1445 I CB 1.010 39.019 38.000 0.015 0.000 1.356 1445 I HN 0.495 nan 8.210 nan 0.000 0.524 1446 D N 1.386 121.789 120.400 0.004 0.000 2.383 1446 D HA 0.256 4.896 4.640 -0.001 0.000 0.248 1446 D C 0.509 176.811 176.300 0.004 0.000 1.170 1446 D CA 0.107 54.108 54.000 0.002 0.000 0.977 1446 D CB 0.530 41.330 40.800 -0.000 0.000 1.120 1446 D HN 0.786 nan 8.370 nan 0.000 0.481 1447 E N -0.527 119.675 120.200 0.003 0.000 3.401 1447 E HA -0.186 4.163 4.350 -0.001 0.000 0.279 1447 E C -0.717 175.884 176.600 0.001 0.000 1.224 1447 E CA 0.805 57.206 56.400 0.001 0.000 1.794 1447 E CB -0.705 28.994 29.700 -0.001 0.000 1.733 1447 E HN 0.554 nan 8.360 nan 0.000 0.444 1448 E N 1.176 121.375 120.200 -0.000 0.000 2.183 1448 E HA 0.380 4.729 4.350 -0.001 0.000 0.250 1448 E C -1.000 175.601 176.600 0.000 0.000 0.901 1448 E CA 0.003 56.403 56.400 -0.000 0.000 0.741 1448 E CB 1.272 30.971 29.700 -0.002 0.000 1.182 1448 E HN 0.412 nan 8.360 nan 0.000 0.425 1449 S N 2.103 117.804 115.700 0.002 0.000 3.644 1449 S HA -0.144 4.325 4.470 -0.001 0.000 0.584 1449 S C 0.605 175.207 174.600 0.002 0.000 0.658 1449 S CA 0.072 58.273 58.200 0.003 0.000 1.414 1449 S CB -0.852 62.350 63.200 0.004 0.000 0.901 1449 S HN 0.556 nan 8.310 nan 0.000 0.867 1450 L N 2.127 123.351 121.223 0.002 0.000 2.630 1450 L HA 0.344 4.684 4.340 -0.001 0.000 0.180 1450 L C 1.159 178.031 176.870 0.002 0.000 1.221 1450 L CA 0.641 55.482 54.840 0.003 0.000 0.853 1450 L CB -0.314 41.747 42.059 0.003 0.000 1.172 1450 L HN 0.567 nan 8.230 nan 0.000 0.508 1451 V N 0.000 119.915 119.914 0.002 0.000 2.409 1451 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 1451 V CA 0.000 62.301 62.300 0.001 0.000 1.235 1451 V CB 0.000 31.824 31.823 0.001 0.000 1.184 1451 V HN 0.000 nan 8.190 nan 0.000 0.556