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 3gtq_1_A DATA FIRST_RESID 3 DATA SEQUENCE GQQYSSAPLR TVKEVQFGLF SPEEVRAISV AKIRFPETMD ETQTRAKIGG DATA SEQUENCE LNDPRLGSID RNLKcQTCQE GMNEcPGHFG HIDLAKPVFH VGFIAKIKKV DATA SEQUENCE CECVCMHCGK LLLDEHNELM RQALAIKDSK KRFAAIWTLC KTKMVCETDV DATA SEQUENCE PSXXXXXXLV SRGGCGNTQP TIRKDGLKLV GSWKXXXXXX XXXXXXLRVL DATA SEQUENCE STEEILNIFK HISVKDFTSL GFNEVFSRPE WMILTCLPVP PPPVRPSISF DATA SEQUENCE NESQRGEDDL TFKLADILKA NISLETLEHN GAPHHAIEEA ESLLQFHVAT DATA SEQUENCE YMDNDIAGQP QALQKSGRPV KSIRARLKGK EGRIRGNLMG KRVDFSARTV DATA SEQUENCE ISGDPNLELD QVGVPKSIAK TLTYPEVVTP YNIDRLTQLV RNGPNEHPGA DATA SEQUENCE KYVIRDSGDR IDLRYSKRAG DIQLQYGWKV ERHIMDNDPV LFNRQPSLHK DATA SEQUENCE MSMMAHRVKV IPYSTFRLNL SVTSPYNADF DGDEMNLHVP QSEETRAELS DATA SEQUENCE QLCAVPLQIV SPQSNKPCMG IVQDTLCGIR KLTLRDTFIE LDQVLNMLYW DATA SEQUENCE VPDWDGVIPT PAIIKPKPLW SGKQILSVAI PNGIHLQRFD EGTTLLSPKD DATA SEQUENCE NGMLIIDGQI IFGVVEKKTV GSSNGGLIHV VTREKGPQVC AKLFGNIQKV DATA SEQUENCE VNFWLLHNGF STGIGDTIAD GPTMREITET IAEAKKKVLD VTKEAQANLL DATA SEQUENCE TAKHGMTLRE SFEDNVVRFL NEARDKAGRL AEVNLKDLNN VKQMVMAGSK DATA SEQUENCE GSFINIAQMS ACVGQQSVEG KRIAFGFVDR TLPHFSKDDY SPESKGFVEN DATA SEQUENCE SYLRGLTPQE FFFHAMGGRE GLIDTAVKTA ETGYIQRRLV KALEDIMVHY DATA SEQUENCE DNTTRNSLGN VIQFIYGEDG MDAAHIEKQS LDTIGGSDAA FEKRYRVDLL DATA SEQUENCE NTDHTLDPSL LESGSEILGD LKLQVLLDEE YKQLVKDRKF LREVFVDGEA DATA SEQUENCE NWPLPVNIRR IIQNAQQTFH IDHTKPSDLT IKDIVLGVKD LQENLLVLRG DATA SEQUENCE KNEIIQNAQR DAVTLFCCLL RSRLATRRVL QEYRLTKQAF DWVLSNIEAQ DATA SEQUENCE FLRSVVHPGE MVGVLAAQSI GEPATQMTLX XXXXXXXXXK KVTSGVPRLK DATA SEQUENCE EILNVAKNMK TPSLTVYLEP GHAADQEQAK LIRSAIEHTT LKSVTIASEI DATA SEQUENCE YYDPDPRSTV IPEDEEIIQL HFSLXXXXXX XXXXQQSPWL LRLELDRAAM DATA SEQUENCE NDKDLTMGQV GERIKQTFKN DLFVIWSEDN DEKLIIRCRV VXXXXXXXXX DATA SEQUENCE XAEEDHMLKK IENTMLENIT LRGVENIERV VMMKYDRKVP SPTGEYVKEP DATA SEQUENCE EWVLETDGVN LSEVMTVPGI DPTRIYTNSF IDIMEVLGIE AGRAALYKEV DATA SEQUENCE YNVIASDGSY VNYRHMALLV DVMTTQGGLT SVTRHGFNRS NTGALMRCSF DATA SEQUENCE EETVEILFEA GASAELDDCR GVSENVILGQ MAPIGTGAFD VMI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.962 3.960 0.003 0.000 0.244 3 G C 0.000 174.895 174.900 -0.008 0.000 0.946 3 G CA 0.000 45.092 45.100 -0.013 0.000 0.502 4 Q N -0.618 119.175 119.800 -0.012 0.000 3.081 4 Q HA 0.570 4.912 4.340 0.003 0.000 0.204 4 Q C -0.457 175.548 176.000 0.008 0.000 1.168 4 Q CA -0.546 55.255 55.803 -0.002 0.000 0.349 4 Q CB 0.574 29.309 28.738 -0.005 0.000 5.722 4 Q HN 0.127 nan 8.270 nan 0.000 0.302 5 Q N -0.065 119.743 119.800 0.013 0.000 2.413 5 Q HA 0.315 4.656 4.340 0.003 0.000 0.276 5 Q C -1.475 174.557 176.000 0.053 0.000 1.099 5 Q CA -0.524 55.309 55.803 0.051 0.000 0.814 5 Q CB 1.619 30.392 28.738 0.058 0.000 1.379 5 Q HN 0.448 nan 8.270 nan 0.000 0.436 6 Y N 1.098 121.403 120.300 0.008 0.000 2.650 6 Y HA -0.021 4.530 4.550 0.003 0.000 0.342 6 Y C 0.656 176.562 175.900 0.010 0.000 1.110 6 Y CA 0.802 58.908 58.100 0.009 0.000 1.438 6 Y CB 0.614 39.079 38.460 0.010 0.000 1.181 6 Y HN 0.345 nan 8.280 nan 0.000 0.526 7 S N 2.324 118.085 115.700 0.101 0.000 2.499 7 S HA 0.155 4.627 4.470 0.003 0.000 0.279 7 S C 1.016 175.684 174.600 0.112 0.000 1.219 7 S CA -0.299 57.952 58.200 0.085 0.000 1.062 7 S CB 0.666 63.885 63.200 0.031 0.000 0.978 7 S HN 0.800 nan 8.310 nan 0.000 0.489 8 S N 4.000 119.758 115.700 0.097 0.000 2.461 8 S HA 0.198 4.670 4.470 0.003 0.000 0.228 8 S C 0.820 175.457 174.600 0.061 0.000 1.005 8 S CA 0.219 58.471 58.200 0.087 0.000 0.942 8 S CB -0.305 62.932 63.200 0.061 0.000 0.776 8 S HN 0.915 nan 8.310 nan 0.000 0.514 9 A N 3.222 126.070 122.820 0.047 0.000 2.328 9 A HA 0.661 4.983 4.320 0.003 0.000 0.284 9 A C -2.085 175.516 177.584 0.029 0.000 1.160 9 A CA -1.554 50.504 52.037 0.034 0.000 0.818 9 A CB -0.312 18.704 19.000 0.027 0.000 1.087 9 A HN 0.281 nan 8.150 nan 0.000 0.504 10 P HA 0.192 nan 4.420 nan 0.000 0.271 10 P C -0.565 176.740 177.300 0.008 0.000 1.244 10 P CA -0.385 62.726 63.100 0.018 0.000 0.793 10 P CB 0.414 32.125 31.700 0.019 0.000 0.984 11 L N 1.470 122.693 121.223 0.001 0.000 2.265 11 L HA 0.448 4.790 4.340 0.003 0.000 0.289 11 L C 0.018 176.887 176.870 -0.002 0.000 1.033 11 L CA -0.472 54.365 54.840 -0.005 0.000 0.814 11 L CB 0.347 42.396 42.059 -0.016 0.000 1.203 11 L HN 0.317 nan 8.230 nan 0.000 0.423 12 R N 2.023 122.523 120.500 -0.001 0.000 2.740 12 R HA 0.528 4.870 4.340 0.003 0.000 0.282 12 R C -0.407 175.891 176.300 -0.003 0.000 0.969 12 R CA -0.513 55.586 56.100 -0.001 0.000 0.918 12 R CB 2.130 32.431 30.300 0.002 0.000 1.175 12 R HN 0.645 nan 8.270 nan 0.000 0.464 13 T N 0.041 114.592 114.554 -0.005 0.000 2.754 13 T HA 0.183 4.534 4.350 0.003 0.000 0.286 13 T C 0.171 174.867 174.700 -0.007 0.000 0.997 13 T CA -0.716 61.380 62.100 -0.007 0.000 0.982 13 T CB 0.789 69.652 68.868 -0.008 0.000 1.027 13 T HN 0.126 nan 8.240 nan 0.000 0.529 14 V N 2.102 122.010 119.914 -0.009 0.000 2.546 14 V HA 0.240 4.362 4.120 0.003 0.000 0.284 14 V C 0.705 176.793 176.094 -0.011 0.000 1.050 14 V CA -0.097 62.195 62.300 -0.013 0.000 0.981 14 V CB 1.321 33.135 31.823 -0.016 0.000 0.990 14 V HN 0.777 nan 8.190 nan 0.000 0.474 15 K N 2.809 123.202 120.400 -0.012 0.000 2.410 15 K HA 0.243 4.565 4.320 0.003 0.000 0.204 15 K C 0.373 176.967 176.600 -0.010 0.000 1.268 15 K CA 0.312 56.594 56.287 -0.007 0.000 0.896 15 K CB 0.491 32.988 32.500 -0.004 0.000 1.401 15 K HN 0.865 nan 8.250 nan 0.000 0.479 16 E N 0.835 121.022 120.200 -0.020 0.000 2.288 16 E HA 0.515 4.867 4.350 0.003 0.000 0.268 16 E C -1.017 175.546 176.600 -0.062 0.000 0.885 16 E CA -0.891 55.491 56.400 -0.030 0.000 0.767 16 E CB 2.454 32.137 29.700 -0.028 0.000 1.220 16 E HN -0.288 nan 8.360 nan 0.000 0.427 17 V N 2.232 122.101 119.914 -0.075 0.000 2.409 17 V HA 0.205 4.327 4.120 0.003 0.000 0.291 17 V C -0.709 175.242 176.094 -0.239 0.000 1.020 17 V CA -0.663 61.534 62.300 -0.172 0.000 0.848 17 V CB 1.328 33.053 31.823 -0.163 0.000 0.990 17 V HN 0.725 nan 8.190 nan 0.000 0.430 18 Q N 4.664 124.261 119.800 -0.337 0.000 2.372 18 Q HA 0.497 4.839 4.340 0.003 0.000 0.259 18 Q C -1.339 174.396 176.000 -0.443 0.000 0.993 18 Q CA -0.122 55.462 55.803 -0.365 0.000 0.854 18 Q CB 0.844 29.335 28.738 -0.411 0.000 1.231 18 Q HN 0.537 nan 8.270 nan 0.000 0.462 19 F N 2.439 122.263 119.950 -0.210 0.000 2.410 19 F HA 0.737 5.266 4.527 0.003 0.000 0.348 19 F C 1.208 176.921 175.800 -0.144 0.000 1.106 19 F CA 0.695 58.615 58.000 -0.132 0.000 1.163 19 F CB 1.597 40.548 39.000 -0.082 0.000 1.129 19 F HN 0.671 nan 8.300 nan 0.000 0.516 20 G N 2.706 111.570 108.800 0.106 0.000 2.976 20 G HA2 0.751 4.713 3.960 0.003 0.000 0.276 20 G HA3 0.751 4.713 3.960 0.003 0.000 0.276 20 G C -1.651 173.325 174.900 0.127 0.000 1.207 20 G CA -0.766 44.414 45.100 0.134 0.000 0.803 20 G HN 0.478 nan 8.290 nan 0.000 0.572 21 L N -0.893 120.407 121.223 0.129 0.000 2.341 21 L HA 0.545 4.886 4.340 0.003 0.000 0.254 21 L C -1.346 175.508 176.870 -0.026 0.000 1.040 21 L CA -0.784 54.133 54.840 0.129 0.000 0.837 21 L CB 2.864 45.051 42.059 0.213 0.000 1.425 21 L HN 0.448 nan 8.230 nan 0.000 0.414 22 F N 1.084 121.051 119.950 0.028 0.000 2.335 22 F HA 0.189 4.718 4.527 0.003 0.000 0.365 22 F C 0.736 176.273 175.800 -0.439 0.000 1.122 22 F CA -0.512 57.390 58.000 -0.163 0.000 1.151 22 F CB 1.374 40.328 39.000 -0.078 0.000 1.282 22 F HN 0.387 nan 8.300 nan 0.000 0.513 23 S N 5.355 120.591 115.700 -0.773 0.000 2.531 23 S HA 0.149 4.621 4.470 0.003 0.000 0.279 23 S C -1.596 172.677 174.600 -0.544 0.000 1.305 23 S CA -1.212 56.123 58.200 -1.441 0.000 1.058 23 S CB 1.087 63.124 63.200 -1.939 0.000 0.899 23 S HN 0.408 nan 8.310 nan 0.000 0.493 24 P HA -0.216 nan 4.420 nan 0.000 0.216 24 P C 1.325 178.528 177.300 -0.162 0.000 1.150 24 P CA 1.393 64.393 63.100 -0.166 0.000 0.843 24 P CB 0.066 31.721 31.700 -0.075 0.000 0.787 25 E N 0.049 120.131 120.200 -0.196 0.000 2.147 25 E HA -0.246 4.106 4.350 0.003 0.000 0.199 25 E C 2.082 178.598 176.600 -0.140 0.000 1.005 25 E CA 1.288 57.603 56.400 -0.140 0.000 0.810 25 E CB -0.126 29.504 29.700 -0.116 0.000 0.736 25 E HN 0.310 nan 8.360 nan 0.000 0.460 26 E N -0.665 119.433 120.200 -0.170 0.000 2.140 26 E HA -0.087 4.265 4.350 0.003 0.000 0.191 26 E C 2.166 178.738 176.600 -0.048 0.000 0.973 26 E CA 0.621 56.974 56.400 -0.078 0.000 0.829 26 E CB 0.357 30.034 29.700 -0.038 0.000 0.781 26 E HN 0.137 nan 8.360 nan 0.000 0.466 27 V N 2.345 122.213 119.914 -0.078 0.000 2.324 27 V HA -0.303 3.819 4.120 0.003 0.000 0.250 27 V C 2.279 178.247 176.094 -0.210 0.000 1.060 27 V CA 2.347 64.547 62.300 -0.167 0.000 1.042 27 V CB -0.678 31.039 31.823 -0.176 0.000 0.650 27 V HN 0.322 nan 8.190 nan 0.000 0.450 28 R N 0.780 121.109 120.500 -0.285 0.000 2.265 28 R HA 0.344 4.686 4.340 0.003 0.000 0.194 28 R C 1.850 177.965 176.300 -0.307 0.000 0.931 28 R CA 0.854 56.626 56.100 -0.548 0.000 1.032 28 R CB -0.233 29.685 30.300 -0.637 0.000 0.980 28 R HN 0.389 nan 8.270 nan 0.000 0.497 29 A N 1.067 123.784 122.820 -0.172 0.000 2.251 29 A HA 0.202 4.523 4.320 0.003 0.000 0.209 29 A C 1.593 179.138 177.584 -0.066 0.000 1.187 29 A CA 0.203 52.178 52.037 -0.103 0.000 0.823 29 A CB -0.150 18.805 19.000 -0.075 0.000 0.846 29 A HN 0.350 nan 8.150 nan 0.000 0.486 30 I N -0.751 119.779 120.570 -0.066 0.000 4.288 30 I HA 0.069 4.241 4.170 0.003 0.000 0.331 30 I C 0.820 176.955 176.117 0.029 0.000 1.322 30 I CA 0.375 61.673 61.300 -0.004 0.000 1.149 30 I CB 0.468 38.487 38.000 0.031 0.000 1.112 30 I HN 0.363 nan 8.210 nan 0.000 0.403 31 S N -0.090 115.607 115.700 -0.006 0.000 2.687 31 S HA 0.341 4.813 4.470 0.003 0.000 0.283 31 S C 0.516 175.163 174.600 0.077 0.000 1.170 31 S CA -0.330 57.920 58.200 0.083 0.000 1.008 31 S CB 1.896 65.178 63.200 0.137 0.000 1.026 31 S HN 0.057 nan 8.310 nan 0.000 0.541 32 V N -1.907 118.081 119.914 0.124 0.000 3.427 32 V HA 0.658 4.780 4.120 0.003 0.000 0.305 32 V C 0.608 176.773 176.094 0.118 0.000 1.412 32 V CA 0.017 62.373 62.300 0.093 0.000 1.086 32 V CB -1.086 30.781 31.823 0.073 0.000 0.964 32 V HN 1.015 nan 8.190 nan 0.000 0.439 33 A N 0.505 123.432 122.820 0.179 0.000 2.313 33 A HA 0.885 5.207 4.320 0.003 0.000 0.323 33 A C 0.560 178.261 177.584 0.197 0.000 1.133 33 A CA -0.444 51.684 52.037 0.152 0.000 0.847 33 A CB 2.017 21.079 19.000 0.104 0.000 1.308 33 A HN 0.244 nan 8.150 nan 0.000 0.475 34 K N -0.458 119.965 120.400 0.037 0.000 2.493 34 K HA 0.337 4.659 4.320 0.003 0.000 0.201 34 K C -0.703 175.782 176.600 -0.191 0.000 1.355 34 K CA 0.040 56.308 56.287 -0.031 0.000 0.953 34 K CB 0.492 33.017 32.500 0.041 0.000 1.316 34 K HN 0.455 nan 8.250 nan 0.000 0.522 35 I N 2.765 123.272 120.570 -0.105 0.000 7.141 35 I HA -0.288 3.884 4.170 0.003 0.000 0.126 35 I C 0.375 176.428 176.117 -0.106 0.000 1.833 35 I CA 0.647 61.883 61.300 -0.106 0.000 2.047 35 I CB -1.571 36.327 38.000 -0.169 0.000 3.597 35 I HN 0.363 nan 8.210 nan 0.000 0.172 36 R N 1.276 121.754 120.500 -0.037 0.000 2.128 36 R HA 0.210 4.552 4.340 0.003 0.000 0.211 36 R C 0.207 176.294 176.300 -0.355 0.000 1.067 36 R CA 1.017 57.011 56.100 -0.176 0.000 1.010 36 R CB 0.339 30.565 30.300 -0.124 0.000 0.922 36 R HN 0.241 nan 8.270 nan 0.000 0.457 37 F N 1.410 121.319 119.950 -0.069 0.000 2.482 37 F HA 0.332 4.861 4.527 0.003 0.000 0.331 37 F C -1.957 173.795 175.800 -0.079 0.000 1.115 37 F CA -3.002 54.958 58.000 -0.067 0.000 0.955 37 F CB 1.772 40.737 39.000 -0.057 0.000 1.136 37 F HN -0.195 nan 8.300 nan 0.000 0.452 38 P HA 0.284 nan 4.420 nan 0.000 0.209 38 P C -0.738 176.547 177.300 -0.025 0.000 1.843 38 P CA 0.195 63.284 63.100 -0.018 0.000 0.985 38 P CB 0.554 32.220 31.700 -0.056 0.000 1.904 39 E N -0.241 119.954 120.200 -0.009 0.000 4.286 39 E HA 0.402 4.754 4.350 0.003 0.000 0.240 39 E C 0.468 177.019 176.600 -0.082 0.000 1.038 39 E CA -0.039 56.332 56.400 -0.048 0.000 1.074 39 E CB 0.532 30.222 29.700 -0.017 0.000 2.386 39 E HN 0.047 nan 8.360 nan 0.000 0.487 40 T N -1.560 112.953 114.554 -0.069 0.000 3.520 40 T HA 0.157 4.509 4.350 0.003 0.000 0.153 40 T C 0.653 175.317 174.700 -0.060 0.000 0.781 40 T CA -0.126 61.931 62.100 -0.071 0.000 0.867 40 T CB 0.088 68.907 68.868 -0.081 0.000 1.024 40 T HN 0.122 nan 8.240 nan 0.000 0.273 41 M N 0.265 119.830 119.600 -0.059 0.000 2.086 41 M HA 0.422 4.904 4.480 0.003 0.000 0.301 41 M C -0.904 175.359 176.300 -0.062 0.000 1.034 41 M CA 0.070 55.336 55.300 -0.058 0.000 1.122 41 M CB 0.526 33.099 32.600 -0.046 0.000 1.969 41 M HN 0.012 nan 8.290 nan 0.000 0.670 42 D N 3.783 124.149 120.400 -0.056 0.000 2.348 42 D HA 0.110 4.752 4.640 0.003 0.000 0.259 42 D C -0.296 175.964 176.300 -0.066 0.000 1.296 42 D CA 0.250 54.219 54.000 -0.052 0.000 0.931 42 D CB 0.397 41.175 40.800 -0.038 0.000 1.067 42 D HN 0.361 nan 8.370 nan 0.000 0.503 43 E N 0.714 120.869 120.200 -0.075 0.000 2.042 43 E HA 0.271 4.623 4.350 0.003 0.000 0.260 43 E C -0.416 176.147 176.600 -0.061 0.000 0.975 43 E CA -0.895 55.453 56.400 -0.087 0.000 0.799 43 E CB -0.085 29.546 29.700 -0.115 0.000 1.131 43 E HN 0.232 nan 8.360 nan 0.000 0.423 44 T N 1.495 116.020 114.554 -0.049 0.000 3.110 44 T HA -0.344 4.008 4.350 0.003 0.000 0.445 44 T C 0.614 175.296 174.700 -0.029 0.000 0.772 44 T CA 1.113 63.193 62.100 -0.034 0.000 2.271 44 T CB -1.838 67.012 68.868 -0.029 0.000 1.657 44 T HN 0.911 nan 8.240 nan 0.000 0.594 45 Q N -2.007 117.777 119.800 -0.027 0.000 2.963 45 Q HA -0.214 4.128 4.340 0.003 0.000 0.171 45 Q C 0.482 176.467 176.000 -0.026 0.000 1.703 45 Q CA 2.007 57.797 55.803 -0.022 0.000 1.023 45 Q CB -2.221 26.507 28.738 -0.017 0.000 0.933 45 Q HN 0.942 nan 8.270 nan 0.000 0.964 46 T N 2.745 117.280 114.554 -0.032 0.000 2.640 46 T HA 0.075 4.427 4.350 0.003 0.000 0.252 46 T C 0.101 174.779 174.700 -0.036 0.000 1.038 46 T CA 0.404 62.484 62.100 -0.035 0.000 1.307 46 T CB -0.135 68.708 68.868 -0.043 0.000 1.014 46 T HN 0.095 nan 8.240 nan 0.000 0.523 47 R N 2.389 122.872 120.500 -0.028 0.000 2.351 47 R HA 0.486 4.828 4.340 0.003 0.000 0.318 47 R C 0.698 176.980 176.300 -0.029 0.000 1.055 47 R CA 0.280 56.363 56.100 -0.028 0.000 0.968 47 R CB 0.313 30.601 30.300 -0.020 0.000 0.974 47 R HN 0.791 nan 8.270 nan 0.000 0.439 48 A N 3.154 125.953 122.820 -0.035 0.000 1.568 48 A HA 0.269 4.591 4.320 0.003 0.000 0.147 48 A C -0.189 177.373 177.584 -0.037 0.000 1.552 48 A CA -0.274 51.743 52.037 -0.034 0.000 2.807 48 A CB 0.498 19.475 19.000 -0.038 0.000 2.976 48 A HN 0.543 nan 8.150 nan 0.000 1.316 49 K N -1.426 118.947 120.400 -0.045 0.000 3.080 49 K HA 0.547 4.869 4.320 0.003 0.000 0.200 49 K C -0.469 176.096 176.600 -0.058 0.000 1.741 49 K CA 0.437 56.697 56.287 -0.045 0.000 1.386 49 K CB 0.883 33.363 32.500 -0.034 0.000 2.059 49 K HN 0.721 nan 8.250 nan 0.000 0.612 50 I N 0.853 121.380 120.570 -0.072 0.000 8.541 50 I HA -0.202 3.970 4.170 0.003 0.000 0.238 50 I C 0.344 176.414 176.117 -0.078 0.000 1.858 50 I CA 0.329 61.565 61.300 -0.107 0.000 2.037 50 I CB -0.122 37.797 38.000 -0.135 0.000 3.850 50 I HN 0.528 nan 8.210 nan 0.000 0.169 51 G N 3.755 112.495 108.800 -0.100 0.000 3.374 51 G HA2 0.477 4.439 3.960 0.003 0.000 0.252 51 G HA3 0.477 4.439 3.960 0.003 0.000 0.252 51 G C 0.592 175.535 174.900 0.071 0.000 1.326 51 G CA 0.639 45.726 45.100 -0.023 0.000 1.133 51 G HN 1.097 nan 8.290 nan 0.000 0.528 52 G N -0.121 108.715 108.800 0.059 0.000 3.069 52 G HA2 0.429 4.391 3.960 0.003 0.000 0.205 52 G HA3 0.429 4.391 3.960 0.003 0.000 0.205 52 G C -0.297 174.638 174.900 0.058 0.000 1.771 52 G CA -0.405 44.796 45.100 0.168 0.000 0.739 52 G HN 0.315 nan 8.290 nan 0.000 0.784 53 L N 1.622 122.861 121.223 0.027 0.000 2.371 53 L HA 0.351 4.693 4.340 0.003 0.000 0.272 53 L C 0.721 177.570 176.870 -0.036 0.000 1.124 53 L CA 0.270 55.096 54.840 -0.022 0.000 0.816 53 L CB 0.439 42.472 42.059 -0.042 0.000 1.129 53 L HN 0.878 nan 8.230 nan 0.000 0.448 54 N N 1.592 120.264 118.700 -0.048 0.000 2.707 54 N HA -0.276 4.466 4.740 0.003 0.000 0.253 54 N C -0.189 175.294 175.510 -0.044 0.000 0.998 54 N CA 1.401 54.419 53.050 -0.054 0.000 0.751 54 N CB -1.270 37.180 38.487 -0.061 0.000 0.920 54 N HN 0.930 nan 8.380 nan 0.000 0.539 55 D N -2.048 118.334 120.400 -0.029 0.000 1.948 55 D HA 0.125 4.767 4.640 0.003 0.000 0.376 55 D C -2.360 173.944 176.300 0.007 0.000 1.209 55 D CA 0.091 54.080 54.000 -0.017 0.000 1.207 55 D CB -0.352 40.436 40.800 -0.020 0.000 1.980 55 D HN 0.177 nan 8.370 nan 0.000 0.471 56 P HA -0.041 nan 4.420 nan 0.000 0.170 56 P C -0.703 176.622 177.300 0.041 0.000 0.837 56 P CA 1.145 64.259 63.100 0.023 0.000 1.279 56 P CB -1.036 30.681 31.700 0.029 0.000 1.424 57 R N -0.163 120.363 120.500 0.044 0.000 3.532 57 R HA -0.173 4.168 4.340 0.003 0.000 0.284 57 R C -0.541 175.843 176.300 0.141 0.000 1.140 57 R CA 0.386 56.526 56.100 0.068 0.000 0.768 57 R CB -2.724 27.602 30.300 0.043 0.000 1.252 57 R HN 0.426 nan 8.270 nan 0.000 0.454 58 L N -0.349 120.944 121.223 0.116 0.000 2.580 58 L HA 0.596 4.937 4.340 0.003 0.000 0.266 58 L C 0.376 177.229 176.870 -0.029 0.000 0.955 58 L CA 0.404 55.301 54.840 0.094 0.000 0.886 58 L CB 1.682 43.770 42.059 0.048 0.000 1.263 58 L HN 0.565 nan 8.230 nan 0.000 0.406 59 G N 3.621 112.363 108.800 -0.097 0.000 2.804 59 G HA2 0.036 3.998 3.960 0.003 0.000 0.230 59 G HA3 0.036 3.998 3.960 0.003 0.000 0.230 59 G C -0.609 174.263 174.900 -0.047 0.000 1.386 59 G CA -0.085 44.950 45.100 -0.107 0.000 0.875 59 G HN 1.729 nan 8.290 nan 0.000 0.557 60 S N -2.374 113.296 115.700 -0.051 0.000 2.645 60 S HA 0.670 5.142 4.470 0.003 0.000 0.268 60 S C 0.044 174.622 174.600 -0.037 0.000 1.110 60 S CA 0.018 58.197 58.200 -0.034 0.000 0.823 60 S CB 1.406 64.594 63.200 -0.019 0.000 1.091 60 S HN 1.385 nan 8.310 nan 0.000 0.466 61 I N -0.107 120.444 120.570 -0.030 0.000 3.878 61 I HA 0.315 4.487 4.170 0.003 0.000 0.273 61 I C 0.659 176.761 176.117 -0.024 0.000 1.165 61 I CA 0.050 61.332 61.300 -0.030 0.000 1.360 61 I CB 0.054 38.035 38.000 -0.032 0.000 1.539 61 I HN 0.763 nan 8.210 nan 0.000 0.447 62 D N 2.928 123.316 120.400 -0.021 0.000 2.885 62 D HA 0.040 4.682 4.640 0.003 0.000 0.234 62 D C 0.087 176.379 176.300 -0.014 0.000 1.129 62 D CA -0.012 53.978 54.000 -0.017 0.000 0.991 62 D CB -0.126 40.665 40.800 -0.015 0.000 1.137 62 D HN 0.028 nan 8.370 nan 0.000 0.459 63 R N 0.422 120.914 120.500 -0.014 0.000 3.569 63 R HA -0.257 4.085 4.340 0.003 0.000 0.260 63 R C -0.454 175.841 176.300 -0.008 0.000 1.078 63 R CA 0.496 56.590 56.100 -0.011 0.000 0.716 63 R CB -1.972 28.323 30.300 -0.009 0.000 1.088 63 R HN 0.394 nan 8.270 nan 0.000 0.473 64 N N -0.452 118.243 118.700 -0.008 0.000 2.509 64 N HA 0.272 5.014 4.740 0.003 0.000 0.287 64 N C 0.554 176.065 175.510 0.001 0.000 1.121 64 N CA -0.499 52.548 53.050 -0.004 0.000 0.977 64 N CB 0.688 39.171 38.487 -0.006 0.000 1.167 64 N HN 0.070 nan 8.380 nan 0.000 0.476 65 L N 1.620 122.847 121.223 0.006 0.000 2.672 65 L HA 0.157 4.499 4.340 0.003 0.000 0.236 65 L C 0.917 177.801 176.870 0.022 0.000 1.186 65 L CA 0.273 55.122 54.840 0.014 0.000 0.977 65 L CB -0.299 41.769 42.059 0.014 0.000 1.203 65 L HN 0.359 nan 8.230 nan 0.000 0.448 66 K N 0.309 120.720 120.400 0.019 0.000 2.665 66 K HA 0.130 4.452 4.320 0.003 0.000 0.214 66 K C -0.024 176.605 176.600 0.049 0.000 1.032 66 K CA -0.062 56.240 56.287 0.024 0.000 1.198 66 K CB -0.311 32.196 32.500 0.012 0.000 0.941 66 K HN 0.294 nan 8.250 nan 0.000 0.491 67 c N 3.501 122.148 118.600 0.078 0.000 2.428 67 c HA 0.027 4.599 4.570 0.003 0.000 0.362 67 c C 0.405 174.556 174.090 0.102 0.000 1.114 67 c CA -0.965 55.466 56.329 0.170 0.000 1.473 67 c CB -1.846 40.829 42.510 0.276 0.000 2.003 67 c HN 0.565 nan 8.230 nan 0.000 0.526 68 Q N 2.100 121.939 119.800 0.065 0.000 2.296 68 Q HA -0.235 4.107 4.340 0.003 0.000 0.341 68 Q C 0.643 176.637 176.000 -0.010 0.000 1.174 68 Q CA 1.463 57.272 55.803 0.011 0.000 1.126 68 Q CB -2.269 26.461 28.738 -0.013 0.000 1.277 68 Q HN 0.949 nan 8.270 nan 0.000 0.293 69 T N -2.099 112.457 114.554 0.003 0.000 10.665 69 T HA -0.421 3.931 4.350 0.003 0.000 0.384 69 T C 1.246 175.949 174.700 0.004 0.000 1.689 69 T CA 1.819 63.919 62.100 0.001 0.000 2.678 69 T CB -2.283 66.580 68.868 -0.008 0.000 2.663 69 T HN 1.122 nan 8.240 nan 0.000 0.987 70 C N 2.989 122.290 119.300 0.003 0.000 2.410 70 C HA 0.017 4.479 4.460 0.003 0.000 0.281 70 C C 2.030 177.045 174.990 0.042 0.000 1.318 70 C CA 1.900 60.929 59.018 0.018 0.000 1.776 70 C CB -1.597 26.153 27.740 0.016 0.000 1.942 70 C HN 0.930 nan 8.230 nan 0.000 0.508 71 Q N -0.083 119.743 119.800 0.044 0.000 1.922 71 Q HA -0.361 3.981 4.340 0.003 0.000 0.422 71 Q C 0.829 176.853 176.000 0.041 0.000 0.813 71 Q CA 2.135 57.961 55.803 0.037 0.000 0.816 71 Q CB -1.426 27.326 28.738 0.024 0.000 3.720 71 Q HN 0.479 nan 8.270 nan 0.000 0.796 72 E N -0.324 119.894 120.200 0.030 0.000 4.537 72 E HA -0.310 4.042 4.350 0.003 0.000 0.247 72 E C 0.917 177.530 176.600 0.021 0.000 0.792 72 E CA 3.255 59.672 56.400 0.027 0.000 1.356 72 E CB -1.680 28.040 29.700 0.032 0.000 1.709 72 E HN 1.641 nan 8.360 nan 0.000 0.385 73 G N 0.080 108.893 108.800 0.022 0.000 2.760 73 G HA2 -0.257 3.705 3.960 0.003 0.000 0.246 73 G HA3 -0.257 3.705 3.960 0.003 0.000 0.246 73 G C 0.536 175.436 174.900 0.001 0.000 1.359 73 G CA 0.480 45.586 45.100 0.010 0.000 0.861 73 G HN 0.367 nan 8.290 nan 0.000 0.541 74 M N -0.400 119.194 119.600 -0.011 0.000 2.781 74 M HA 0.396 4.878 4.480 0.003 0.000 0.208 74 M C 0.765 177.054 176.300 -0.018 0.000 1.231 74 M CA 0.932 56.218 55.300 -0.023 0.000 1.029 74 M CB -0.051 32.530 32.600 -0.032 0.000 1.753 74 M HN 0.337 nan 8.290 nan 0.000 0.448 75 N N 0.412 119.106 118.700 -0.009 0.000 2.170 75 N HA 0.057 4.799 4.740 0.003 0.000 0.222 75 N C 0.561 176.070 175.510 -0.000 0.000 1.218 75 N CA 0.406 53.452 53.050 -0.006 0.000 0.889 75 N CB 0.804 39.289 38.487 -0.003 0.000 1.083 75 N HN 0.656 nan 8.380 nan 0.000 0.520 76 E N -0.711 119.492 120.200 0.004 0.000 2.879 76 E HA 0.138 4.490 4.350 0.003 0.000 0.206 76 E C -0.146 176.466 176.600 0.020 0.000 0.969 76 E CA -0.010 56.398 56.400 0.014 0.000 1.496 76 E CB -0.300 29.413 29.700 0.023 0.000 1.454 76 E HN 0.054 nan 8.360 nan 0.000 0.750 77 c N 4.401 123.012 118.600 0.018 0.000 2.447 77 c HA 0.104 4.676 4.570 0.003 0.000 0.402 77 c C -1.446 172.623 174.090 -0.035 0.000 1.473 77 c CA -0.737 55.600 56.329 0.015 0.000 1.402 77 c CB -0.077 42.423 42.510 -0.017 0.000 2.435 77 c HN 0.377 nan 8.230 nan 0.000 0.626 78 P HA 0.168 nan 4.420 nan 0.000 0.247 78 P C 0.686 177.958 177.300 -0.047 0.000 1.225 78 P CA 1.328 64.430 63.100 0.002 0.000 0.768 78 P CB -0.351 31.382 31.700 0.055 0.000 1.020 79 G N 1.667 110.369 108.800 -0.163 0.000 2.546 79 G HA2 -0.169 3.793 3.960 0.003 0.000 0.285 79 G HA3 -0.169 3.793 3.960 0.003 0.000 0.285 79 G C -0.111 174.657 174.900 -0.221 0.000 1.105 79 G CA -0.587 44.350 45.100 -0.272 0.000 1.189 79 G HN 0.606 nan 8.290 nan 0.000 0.534 80 H N -0.178 118.889 119.070 -0.006 0.000 2.848 80 H HA 0.454 5.012 4.556 0.003 0.000 0.341 80 H C 0.494 175.848 175.328 0.044 0.000 1.060 80 H CA -0.402 55.682 56.048 0.059 0.000 1.444 80 H CB 0.831 30.629 29.762 0.060 0.000 1.446 80 H HN 0.170 nan 8.280 nan 0.000 0.583 81 F N 1.154 121.186 119.950 0.136 0.000 2.435 81 F HA 0.325 4.854 4.527 0.003 0.000 0.316 81 F C 1.325 177.172 175.800 0.078 0.000 1.220 81 F CA 1.254 59.296 58.000 0.070 0.000 1.241 81 F CB 0.912 39.938 39.000 0.043 0.000 1.234 81 F HN 0.772 nan 8.300 nan 0.000 0.569 82 G N -0.756 108.226 108.800 0.305 0.000 3.211 82 G HA2 0.604 4.566 3.960 0.003 0.000 0.262 82 G HA3 0.604 4.566 3.960 0.003 0.000 0.262 82 G C -1.891 173.196 174.900 0.311 0.000 1.352 82 G CA -0.523 44.721 45.100 0.240 0.000 1.004 82 G HN 0.892 nan 8.290 nan 0.000 0.559 83 H N -2.385 116.719 119.070 0.057 0.000 2.948 83 H HA 0.739 5.297 4.556 0.003 0.000 0.315 83 H C -1.810 173.508 175.328 -0.017 0.000 1.360 83 H CA -1.079 54.971 56.048 0.004 0.000 1.125 83 H CB 1.960 31.704 29.762 -0.029 0.000 1.844 83 H HN 0.706 nan 8.280 nan 0.000 0.529 84 I N 2.060 122.426 120.570 -0.341 0.000 2.627 84 I HA 0.232 4.404 4.170 0.003 0.000 0.288 84 I C -1.483 174.534 176.117 -0.167 0.000 1.202 84 I CA -0.429 60.642 61.300 -0.382 0.000 1.050 84 I CB 1.978 39.843 38.000 -0.225 0.000 1.264 84 I HN 0.824 nan 8.210 nan 0.000 0.429 85 D N 7.822 128.134 120.400 -0.146 0.000 2.317 85 D HA 0.331 4.973 4.640 0.003 0.000 0.252 85 D C 0.705 176.983 176.300 -0.036 0.000 1.174 85 D CA -0.022 53.971 54.000 -0.011 0.000 0.866 85 D CB 1.965 42.787 40.800 0.037 0.000 1.127 85 D HN 0.470 nan 8.370 nan 0.000 0.467 86 L N 1.560 122.775 121.223 -0.014 0.000 2.584 86 L HA 0.232 4.574 4.340 0.003 0.000 0.153 86 L C 1.542 178.407 176.870 -0.008 0.000 1.336 86 L CA 0.431 55.262 54.840 -0.015 0.000 2.295 86 L CB -0.067 41.991 42.059 -0.002 0.000 2.581 86 L HN 0.534 nan 8.230 nan 0.000 0.640 87 A N -2.164 120.657 122.820 0.002 0.000 1.649 87 A HA 0.252 4.574 4.320 0.003 0.000 0.176 87 A C -0.408 177.184 177.584 0.015 0.000 1.524 87 A CA -0.231 51.813 52.037 0.011 0.000 1.448 87 A CB 0.405 19.412 19.000 0.012 0.000 1.334 87 A HN 0.291 nan 8.150 nan 0.000 0.693 88 K N 2.018 122.425 120.400 0.011 0.000 2.334 88 K HA 0.484 4.806 4.320 0.003 0.000 0.265 88 K C -2.796 173.800 176.600 -0.005 0.000 1.039 88 K CA -2.187 54.103 56.287 0.005 0.000 0.920 88 K CB 0.995 33.499 32.500 0.007 0.000 1.160 88 K HN 0.166 nan 8.250 nan 0.000 0.451 89 P HA -0.178 nan 4.420 nan 0.000 0.271 89 P C -0.415 176.842 177.300 -0.072 0.000 1.164 89 P CA 0.321 63.400 63.100 -0.035 0.000 0.758 89 P CB 0.409 32.078 31.700 -0.051 0.000 0.769 90 V N 3.106 122.985 119.914 -0.058 0.000 2.962 90 V HA 0.373 4.495 4.120 0.003 0.000 0.313 90 V C 0.491 176.569 176.094 -0.026 0.000 1.099 90 V CA -0.563 61.715 62.300 -0.036 0.000 0.971 90 V CB 1.691 33.543 31.823 0.047 0.000 1.028 90 V HN 0.338 nan 8.190 nan 0.000 0.430 91 F N 0.985 121.006 119.950 0.119 0.000 2.188 91 F HA 0.272 4.801 4.527 0.003 0.000 0.279 91 F C 1.055 176.969 175.800 0.189 0.000 1.210 91 F CA 0.428 58.523 58.000 0.159 0.000 1.200 91 F CB 0.137 39.222 39.000 0.141 0.000 1.552 91 F HN 0.595 nan 8.300 nan 0.000 0.507 92 H N -0.655 118.658 119.070 0.405 0.000 2.901 92 H HA 0.333 4.891 4.556 0.003 0.000 0.227 92 H C 0.412 175.767 175.328 0.045 0.000 1.390 92 H CA -0.094 56.097 56.048 0.238 0.000 1.120 92 H CB -0.100 29.880 29.762 0.363 0.000 2.131 92 H HN 0.425 nan 8.280 nan 0.000 0.549 93 V N -1.536 118.461 119.914 0.138 0.000 0.638 93 V HA -0.457 3.665 4.120 0.003 0.000 0.092 93 V C 2.196 178.241 176.094 -0.081 0.000 1.438 93 V CA 2.303 64.612 62.300 0.016 0.000 3.263 93 V CB -1.702 30.118 31.823 -0.005 0.000 0.519 93 V HN 0.606 nan 8.190 nan 0.000 0.523 94 G N -1.424 107.196 108.800 -0.301 0.000 2.744 94 G HA2 0.202 4.164 3.960 0.003 0.000 0.211 94 G HA3 0.202 4.164 3.960 0.003 0.000 0.211 94 G C 0.963 175.496 174.900 -0.612 0.000 1.143 94 G CA 0.762 45.539 45.100 -0.537 0.000 0.788 94 G HN 0.672 nan 8.290 nan 0.000 0.534 95 F N -0.855 118.977 119.950 -0.198 0.000 2.704 95 F HA 0.319 4.848 4.527 0.003 0.000 0.304 95 F C 2.004 177.805 175.800 0.003 0.000 1.094 95 F CA -0.718 57.208 58.000 -0.123 0.000 1.275 95 F CB 0.465 39.369 39.000 -0.159 0.000 1.073 95 F HN 0.070 nan 8.300 nan 0.000 0.586 96 I N 0.841 121.488 120.570 0.129 0.000 2.454 96 I HA -0.251 3.921 4.170 0.003 0.000 0.254 96 I C 2.373 178.493 176.117 0.006 0.000 1.156 96 I CA 1.280 62.578 61.300 -0.003 0.000 1.433 96 I CB -0.263 37.639 38.000 -0.163 0.000 1.082 96 I HN 0.078 nan 8.210 nan 0.000 0.432 97 A N -0.155 122.674 122.820 0.016 0.000 1.873 97 A HA -0.203 4.119 4.320 0.003 0.000 0.215 97 A C 2.430 180.032 177.584 0.030 0.000 1.186 97 A CA 1.672 53.709 52.037 0.000 0.000 0.616 97 A CB -0.500 18.487 19.000 -0.022 0.000 0.823 97 A HN 0.388 nan 8.150 nan 0.000 0.442 98 K N -0.951 119.507 120.400 0.096 0.000 2.137 98 K HA 0.168 4.489 4.320 0.003 0.000 0.202 98 K C 1.744 178.468 176.600 0.206 0.000 1.052 98 K CA 0.659 57.029 56.287 0.140 0.000 0.961 98 K CB -0.176 32.393 32.500 0.114 0.000 0.741 98 K HN 0.469 nan 8.250 nan 0.000 0.452 99 I N 1.537 122.242 120.570 0.225 0.000 2.530 99 I HA -0.292 3.879 4.170 0.003 0.000 0.257 99 I C 2.386 178.692 176.117 0.314 0.000 1.179 99 I CA 1.162 62.655 61.300 0.322 0.000 1.440 99 I CB 0.026 38.277 38.000 0.419 0.000 1.087 99 I HN 0.124 nan 8.210 nan 0.000 0.440 100 K N 0.969 121.489 120.400 0.200 0.000 2.116 100 K HA -0.150 4.172 4.320 0.003 0.000 0.203 100 K C 2.007 178.750 176.600 0.238 0.000 1.052 100 K CA 1.079 57.472 56.287 0.177 0.000 0.952 100 K CB 0.112 32.671 32.500 0.099 0.000 0.729 100 K HN 0.195 nan 8.250 nan 0.000 0.446 101 K N 0.521 121.032 120.400 0.184 0.000 2.155 101 K HA -0.065 4.257 4.320 0.003 0.000 0.203 101 K C 1.967 178.783 176.600 0.359 0.000 1.052 101 K CA 1.298 57.668 56.287 0.137 0.000 0.948 101 K CB 0.160 32.515 32.500 -0.241 0.000 0.728 101 K HN 0.126 nan 8.250 nan 0.000 0.448 102 V N -1.493 118.667 119.914 0.410 0.000 2.591 102 V HA -0.149 3.973 4.120 0.003 0.000 0.249 102 V C 2.024 178.367 176.094 0.415 0.000 1.053 102 V CA 1.054 63.633 62.300 0.465 0.000 1.068 102 V CB -0.810 31.325 31.823 0.521 0.000 0.689 102 V HN 0.232 nan 8.190 nan 0.000 0.462 103 C N 0.592 120.114 119.300 0.371 0.000 2.576 103 C HA 0.167 4.629 4.460 0.003 0.000 0.267 103 C C 2.128 177.214 174.990 0.161 0.000 1.364 103 C CA 0.311 59.459 59.018 0.216 0.000 1.723 103 C CB -1.455 26.382 27.740 0.162 0.000 1.778 103 C HN 0.610 nan 8.230 nan 0.000 0.572 104 E N -1.603 118.741 120.200 0.240 0.000 2.476 104 E HA 0.046 4.398 4.350 0.003 0.000 0.196 104 E C 1.240 177.904 176.600 0.106 0.000 1.029 104 E CA 0.022 56.527 56.400 0.176 0.000 0.896 104 E CB 0.261 30.157 29.700 0.328 0.000 1.012 104 E HN 0.604 nan 8.360 nan 0.000 0.475 105 C N -0.126 119.275 119.300 0.167 0.000 3.836 105 C HA 0.255 4.717 4.460 0.003 0.000 0.470 105 C C 0.458 175.515 174.990 0.111 0.000 1.496 105 C CA -0.222 58.869 59.018 0.120 0.000 2.135 105 C CB 0.408 28.253 27.740 0.176 0.000 3.162 105 C HN -0.029 nan 8.230 nan 0.000 0.666 106 V N -0.060 119.939 119.914 0.141 0.000 3.046 106 V HA 0.528 4.650 4.120 0.003 0.000 0.316 106 V C -0.398 175.733 176.094 0.062 0.000 1.104 106 V CA -0.690 61.679 62.300 0.115 0.000 1.006 106 V CB 1.550 33.483 31.823 0.183 0.000 1.058 106 V HN 0.326 nan 8.190 nan 0.000 0.440 107 C N 2.630 121.955 119.300 0.041 0.000 2.435 107 C HA 0.780 5.242 4.460 0.003 0.000 0.333 107 C C 0.394 175.387 174.990 0.005 0.000 1.202 107 C CA -0.474 58.562 59.018 0.030 0.000 1.830 107 C CB 0.902 28.672 27.740 0.051 0.000 2.326 107 C HN 0.851 nan 8.230 nan 0.000 0.507 108 M N 3.437 123.034 119.600 -0.005 0.000 2.012 108 M HA 0.374 4.856 4.480 0.003 0.000 0.248 108 M C 1.422 177.720 176.300 -0.003 0.000 1.238 108 M CA 0.737 55.985 55.300 -0.086 0.000 0.980 108 M CB 0.003 32.486 32.600 -0.195 0.000 1.346 108 M HN 0.884 nan 8.290 nan 0.000 0.511 109 H N -2.369 116.722 119.070 0.036 0.000 5.013 109 H HA -0.280 4.278 4.556 0.003 0.000 0.092 109 H C 1.432 176.767 175.328 0.012 0.000 0.584 109 H CA 1.906 57.971 56.048 0.028 0.000 1.167 109 H CB -1.321 28.460 29.762 0.032 0.000 0.604 109 H HN 0.798 nan 8.280 nan 0.000 0.631 110 C N 0.463 119.831 119.300 0.112 0.000 3.164 110 C HA 0.625 5.087 4.460 0.003 0.000 0.184 110 C C 1.092 176.103 174.990 0.034 0.000 2.500 110 C CA 1.837 60.887 59.018 0.053 0.000 1.179 110 C CB 1.013 28.782 27.740 0.048 0.000 1.239 110 C HN 1.347 nan 8.230 nan 0.000 0.738 111 G N 2.411 111.229 108.800 0.030 0.000 2.499 111 G HA2 0.170 4.132 3.960 0.003 0.000 0.474 111 G HA3 0.170 4.132 3.960 0.003 0.000 0.474 111 G C -0.981 173.930 174.900 0.019 0.000 1.044 111 G CA 0.159 45.275 45.100 0.026 0.000 1.316 111 G HN 0.776 nan 8.290 nan 0.000 0.617 112 K N 1.142 121.555 120.400 0.022 0.000 2.568 112 K HA 0.454 4.776 4.320 0.003 0.000 0.273 112 K C -0.655 175.962 176.600 0.028 0.000 0.951 112 K CA -1.054 55.240 56.287 0.011 0.000 0.854 112 K CB 2.125 34.630 32.500 0.009 0.000 1.424 112 K HN 0.405 nan 8.250 nan 0.000 0.427 113 L N 5.540 126.777 121.223 0.023 0.000 2.485 113 L HA 0.083 4.425 4.340 0.003 0.000 0.279 113 L C 1.587 178.477 176.870 0.033 0.000 1.124 113 L CA -0.101 54.761 54.840 0.038 0.000 0.888 113 L CB 0.217 42.297 42.059 0.035 0.000 1.217 113 L HN 0.643 nan 8.230 nan 0.000 0.464 114 L N 4.009 125.252 121.223 0.034 0.000 2.263 114 L HA -0.042 4.300 4.340 0.003 0.000 0.216 114 L C -0.039 176.849 176.870 0.030 0.000 1.111 114 L CA 1.107 55.965 54.840 0.029 0.000 0.773 114 L CB -0.775 41.297 42.059 0.022 0.000 0.906 114 L HN 0.409 nan 8.230 nan 0.000 0.439 115 L N -1.181 120.058 121.223 0.027 0.000 2.409 115 L HA 0.689 5.031 4.340 0.003 0.000 0.272 115 L C -1.098 175.789 176.870 0.029 0.000 0.980 115 L CA -0.746 54.114 54.840 0.034 0.000 0.826 115 L CB 1.422 43.493 42.059 0.020 0.000 1.268 115 L HN -0.171 nan 8.230 nan 0.000 0.407 116 D N 0.902 121.328 120.400 0.042 0.000 2.549 116 D HA 0.208 4.850 4.640 0.003 0.000 0.270 116 D C 0.834 177.083 176.300 -0.086 0.000 1.181 116 D CA -0.556 53.427 54.000 -0.029 0.000 1.070 116 D CB 1.174 41.941 40.800 -0.055 0.000 1.154 116 D HN 0.567 nan 8.370 nan 0.000 0.602 117 E N -0.528 119.558 120.200 -0.190 0.000 2.284 117 E HA -0.223 4.129 4.350 0.003 0.000 0.200 117 E C 1.568 178.088 176.600 -0.133 0.000 1.008 117 E CA 1.122 57.424 56.400 -0.164 0.000 0.829 117 E CB -0.158 29.431 29.700 -0.185 0.000 0.744 117 E HN 0.371 nan 8.360 nan 0.000 0.491 118 H N 0.212 119.284 119.070 0.003 0.000 2.353 118 H HA -0.086 4.472 4.556 0.003 0.000 0.298 118 H C 1.081 176.409 175.328 0.000 0.000 1.103 118 H CA 1.014 57.063 56.048 0.002 0.000 1.293 118 H CB -0.443 29.319 29.762 0.000 0.000 1.372 118 H HN 0.122 nan 8.280 nan 0.000 0.501 119 N N 1.556 120.318 118.700 0.104 0.000 2.530 119 N HA -0.078 4.664 4.740 0.003 0.000 0.273 119 N C 1.097 176.622 175.510 0.026 0.000 1.173 119 N CA 0.057 53.139 53.050 0.053 0.000 0.967 119 N CB 1.340 39.848 38.487 0.035 0.000 1.109 119 N HN 0.172 nan 8.380 nan 0.000 0.453 120 E N 2.835 123.047 120.200 0.021 0.000 2.021 120 E HA -0.038 4.314 4.350 0.003 0.000 0.189 120 E C 1.668 178.272 176.600 0.007 0.000 0.980 120 E CA 0.888 57.295 56.400 0.013 0.000 0.803 120 E CB -0.212 29.495 29.700 0.013 0.000 0.766 120 E HN 0.602 nan 8.360 nan 0.000 0.449 121 L N 0.290 121.515 121.223 0.004 0.000 2.456 121 L HA -0.004 4.338 4.340 0.003 0.000 0.224 121 L C 2.220 179.090 176.870 0.001 0.000 1.148 121 L CA 0.487 55.328 54.840 0.001 0.000 0.825 121 L CB -0.099 41.957 42.059 -0.004 0.000 0.937 121 L HN 0.058 nan 8.230 nan 0.000 0.450 122 M N -1.305 118.296 119.600 0.001 0.000 2.560 122 M HA 0.092 4.574 4.480 0.003 0.000 0.297 122 M C 1.468 177.768 176.300 -0.001 0.000 1.201 122 M CA 0.280 55.580 55.300 0.001 0.000 0.973 122 M CB 0.100 32.699 32.600 -0.001 0.000 1.401 122 M HN 0.020 nan 8.290 nan 0.000 0.497 123 R N -0.976 119.524 120.500 -0.000 0.000 2.282 123 R HA 0.135 4.477 4.340 0.003 0.000 0.195 123 R C 1.363 177.665 176.300 0.004 0.000 0.909 123 R CA 0.470 56.568 56.100 -0.003 0.000 1.039 123 R CB 0.376 30.674 30.300 -0.005 0.000 1.015 123 R HN 0.510 nan 8.270 nan 0.000 0.513 124 Q N -0.779 119.026 119.800 0.008 0.000 2.432 124 Q HA 0.088 4.430 4.340 0.003 0.000 0.205 124 Q C 1.337 177.348 176.000 0.018 0.000 0.945 124 Q CA 0.862 56.672 55.803 0.012 0.000 0.924 124 Q CB 0.706 29.451 28.738 0.012 0.000 1.016 124 Q HN 0.232 nan 8.270 nan 0.000 0.503 125 A N -0.136 122.696 122.820 0.019 0.000 2.055 125 A HA 0.115 4.437 4.320 0.003 0.000 0.205 125 A C 1.742 179.346 177.584 0.035 0.000 1.235 125 A CA -0.094 51.961 52.037 0.029 0.000 0.822 125 A CB -0.093 18.924 19.000 0.029 0.000 0.903 125 A HN 0.241 nan 8.150 nan 0.000 0.473 126 L N -0.504 120.735 121.223 0.026 0.000 2.265 126 L HA -0.101 4.240 4.340 0.003 0.000 0.215 126 L C 2.312 179.201 176.870 0.031 0.000 1.117 126 L CA 1.205 56.063 54.840 0.029 0.000 0.782 126 L CB 0.012 42.079 42.059 0.013 0.000 0.914 126 L HN 0.430 nan 8.230 nan 0.000 0.441 127 A N -1.356 121.480 122.820 0.026 0.000 2.470 127 A HA 0.253 4.575 4.320 0.003 0.000 0.251 127 A C 0.708 178.310 177.584 0.029 0.000 1.245 127 A CA -0.401 51.651 52.037 0.026 0.000 0.932 127 A CB 0.012 19.023 19.000 0.018 0.000 1.037 127 A HN 0.207 nan 8.150 nan 0.000 0.522 128 I N 0.996 121.587 120.570 0.034 0.000 2.575 128 I HA 0.110 4.282 4.170 0.003 0.000 0.285 128 I C 0.071 176.210 176.117 0.037 0.000 1.085 128 I CA -0.391 60.930 61.300 0.034 0.000 1.403 128 I CB 0.703 38.725 38.000 0.037 0.000 1.409 128 I HN 0.050 nan 8.210 nan 0.000 0.557 129 K N 5.786 126.205 120.400 0.032 0.000 2.355 129 K HA 0.097 4.419 4.320 0.003 0.000 0.270 129 K C -0.856 175.762 176.600 0.030 0.000 1.003 129 K CA 0.167 56.471 56.287 0.030 0.000 0.957 129 K CB 0.334 32.849 32.500 0.026 0.000 0.939 129 K HN 0.658 nan 8.250 nan 0.000 0.482 130 D N 0.716 121.131 120.400 0.025 0.000 8.797 130 D HA -0.108 4.534 4.640 0.003 0.000 0.267 130 D C 0.282 176.598 176.300 0.026 0.000 2.451 130 D CA 0.294 54.305 54.000 0.019 0.000 2.310 130 D CB -0.306 40.505 40.800 0.019 0.000 0.927 130 D HN 0.459 nan 8.370 nan 0.000 0.634 131 S N 1.387 117.091 115.700 0.007 0.000 2.419 131 S HA -0.152 4.320 4.470 0.003 0.000 0.233 131 S C 1.848 176.456 174.600 0.014 0.000 1.016 131 S CA 0.622 58.824 58.200 0.003 0.000 0.974 131 S CB 0.290 63.456 63.200 -0.058 0.000 0.786 131 S HN 0.351 nan 8.310 nan 0.000 0.492 132 K N 1.288 121.686 120.400 -0.003 0.000 2.026 132 K HA -0.001 4.321 4.320 0.003 0.000 0.208 132 K C 1.633 178.281 176.600 0.081 0.000 1.048 132 K CA 1.074 57.363 56.287 0.004 0.000 0.929 132 K CB -0.099 32.392 32.500 -0.015 0.000 0.713 132 K HN 0.315 nan 8.250 nan 0.000 0.439 133 K N -0.057 120.389 120.400 0.077 0.000 2.353 133 K HA 0.055 4.377 4.320 0.003 0.000 0.195 133 K C 1.960 178.622 176.600 0.103 0.000 1.031 133 K CA -0.117 56.223 56.287 0.088 0.000 1.079 133 K CB 0.517 33.053 32.500 0.059 0.000 0.857 133 K HN 0.048 nan 8.250 nan 0.000 0.535 134 R N 0.865 121.434 120.500 0.114 0.000 2.055 134 R HA -0.099 4.243 4.340 0.003 0.000 0.228 134 R C 2.039 178.434 176.300 0.160 0.000 1.143 134 R CA 1.250 57.420 56.100 0.117 0.000 0.945 134 R CB -0.362 30.005 30.300 0.111 0.000 0.841 134 R HN 0.104 nan 8.270 nan 0.000 0.429 135 F N 1.386 121.363 119.950 0.044 0.000 2.154 135 F HA -0.188 4.341 4.527 0.003 0.000 0.301 135 F C 2.016 177.877 175.800 0.102 0.000 1.087 135 F CA 1.839 59.878 58.000 0.065 0.000 1.274 135 F CB -0.286 38.718 39.000 0.007 0.000 1.009 135 F HN 0.187 nan 8.300 nan 0.000 0.485 136 A N -0.512 122.433 122.820 0.208 0.000 2.119 136 A HA 0.223 4.545 4.320 0.003 0.000 0.217 136 A C 2.093 179.739 177.584 0.103 0.000 1.153 136 A CA 1.146 53.266 52.037 0.139 0.000 0.692 136 A CB -1.078 18.012 19.000 0.149 0.000 0.799 136 A HN 0.465 nan 8.150 nan 0.000 0.458 137 A N -0.835 122.031 122.820 0.076 0.000 2.140 137 A HA 0.360 4.682 4.320 0.003 0.000 0.209 137 A C 1.819 179.419 177.584 0.026 0.000 1.181 137 A CA 0.396 52.465 52.037 0.054 0.000 0.824 137 A CB -0.166 18.863 19.000 0.049 0.000 0.879 137 A HN 0.398 nan 8.150 nan 0.000 0.480 138 I N -2.446 118.129 120.570 0.009 0.000 2.400 138 I HA -0.151 4.021 4.170 0.003 0.000 0.248 138 I C 2.289 178.384 176.117 -0.037 0.000 1.109 138 I CA 0.883 62.172 61.300 -0.017 0.000 1.425 138 I CB -0.200 37.795 38.000 -0.008 0.000 1.094 138 I HN 0.664 nan 8.210 nan 0.000 0.425 139 W N 2.203 123.340 121.300 -0.272 0.000 2.388 139 W HA -0.202 4.460 4.660 0.003 0.000 0.294 139 W C 2.443 178.880 176.519 -0.137 0.000 1.212 139 W CA 1.969 59.160 57.345 -0.258 0.000 1.271 139 W CB -0.168 29.056 29.460 -0.394 0.000 1.126 139 W HN 0.125 nan 8.180 nan 0.000 0.535 140 T N -1.341 113.180 114.554 -0.056 0.000 3.194 140 T HA 0.068 4.420 4.350 0.003 0.000 0.251 140 T C 0.929 175.510 174.700 -0.198 0.000 1.132 140 T CA 0.540 62.527 62.100 -0.190 0.000 1.028 140 T CB -0.491 68.383 68.868 0.009 0.000 0.976 140 T HN 0.196 nan 8.240 nan 0.000 0.535 141 L N -0.727 120.387 121.223 -0.182 0.000 3.431 141 L HA 0.451 4.793 4.340 0.003 0.000 0.316 141 L C 0.619 177.405 176.870 -0.140 0.000 1.305 141 L CA -0.407 54.352 54.840 -0.134 0.000 0.995 141 L CB 0.539 42.556 42.059 -0.069 0.000 1.411 141 L HN 0.275 nan 8.230 nan 0.000 0.610 142 C N -0.899 118.270 119.300 -0.218 0.000 3.913 142 C HA -0.018 4.444 4.460 0.003 0.000 0.535 142 C C 2.413 177.260 174.990 -0.240 0.000 1.470 142 C CA -0.085 58.826 59.018 -0.179 0.000 2.358 142 C CB 0.479 28.142 27.740 -0.130 0.000 3.527 142 C HN 0.563 nan 8.230 nan 0.000 0.611 143 K N 1.862 122.012 120.400 -0.418 0.000 2.147 143 K HA -0.136 4.186 4.320 0.003 0.000 0.205 143 K C 1.414 177.849 176.600 -0.274 0.000 1.049 143 K CA 2.389 58.404 56.287 -0.454 0.000 0.936 143 K CB -0.696 31.297 32.500 -0.845 0.000 0.722 143 K HN 0.593 nan 8.250 nan 0.000 0.446 144 T N -0.383 114.034 114.554 -0.229 0.000 2.901 144 T HA 0.020 4.372 4.350 0.003 0.000 0.252 144 T C 0.706 175.341 174.700 -0.107 0.000 1.035 144 T CA 0.221 62.231 62.100 -0.151 0.000 1.142 144 T CB -0.126 68.664 68.868 -0.130 0.000 0.869 144 T HN 0.088 nan 8.240 nan 0.000 0.442 145 K N 1.620 121.961 120.400 -0.099 0.000 2.167 145 K HA 0.328 4.650 4.320 0.003 0.000 0.275 145 K C 0.808 177.374 176.600 -0.057 0.000 1.103 145 K CA -0.171 56.077 56.287 -0.065 0.000 0.963 145 K CB 0.235 32.703 32.500 -0.053 0.000 1.243 145 K HN 0.326 nan 8.250 nan 0.000 0.407 146 M N 1.151 120.722 119.600 -0.048 0.000 2.388 146 M HA -0.024 4.458 4.480 0.003 0.000 0.265 146 M C 0.560 176.853 176.300 -0.012 0.000 1.088 146 M CA 0.516 55.789 55.300 -0.045 0.000 1.134 146 M CB 0.290 32.858 32.600 -0.054 0.000 1.384 146 M HN 0.183 nan 8.290 nan 0.000 0.447 147 V N -0.411 119.505 119.914 0.003 0.000 3.185 147 V HA -0.116 4.006 4.120 0.003 0.000 0.305 147 V C 1.249 177.358 176.094 0.026 0.000 1.090 147 V CA -0.309 62.006 62.300 0.026 0.000 1.107 147 V CB 1.476 33.312 31.823 0.022 0.000 1.061 147 V HN 0.477 nan 8.190 nan 0.000 0.480 148 C N 0.440 119.764 119.300 0.040 0.000 2.514 148 C HA 0.204 4.666 4.460 0.003 0.000 0.271 148 C C 0.881 175.886 174.990 0.025 0.000 1.399 148 C CA 0.233 59.274 59.018 0.038 0.000 1.765 148 C CB -2.047 25.726 27.740 0.054 0.000 1.893 148 C HN 1.070 nan 8.230 nan 0.000 0.531 149 E N -0.357 119.854 120.200 0.019 0.000 7.439 149 E HA -0.134 4.218 4.350 0.003 0.000 0.300 149 E C 0.820 177.423 176.600 0.005 0.000 0.813 149 E CA 0.598 57.004 56.400 0.009 0.000 1.419 149 E CB -0.695 29.009 29.700 0.008 0.000 0.921 149 E HN 0.547 nan 8.360 nan 0.000 0.266 150 T N 1.957 116.511 114.554 -0.000 0.000 2.652 150 T HA -0.114 4.237 4.350 0.003 0.000 0.267 150 T C 0.466 175.157 174.700 -0.014 0.000 1.039 150 T CA 1.534 63.630 62.100 -0.006 0.000 1.153 150 T CB -0.033 68.831 68.868 -0.008 0.000 0.863 150 T HN 0.451 nan 8.240 nan 0.000 0.428 151 D N -1.173 119.214 120.400 -0.021 0.000 2.622 151 D HA 0.454 5.096 4.640 0.003 0.000 0.255 151 D C -1.517 174.756 176.300 -0.046 0.000 1.246 151 D CA -0.434 53.542 54.000 -0.039 0.000 0.795 151 D CB 2.841 43.612 40.800 -0.049 0.000 1.369 151 D HN -0.084 nan 8.370 nan 0.000 0.425 152 V N 1.975 121.843 119.914 -0.078 0.000 2.448 152 V HA 0.348 4.470 4.120 0.003 0.000 0.295 152 V C -2.184 173.851 176.094 -0.097 0.000 1.025 152 V CA -1.571 60.687 62.300 -0.070 0.000 0.859 152 V CB 1.667 33.463 31.823 -0.045 0.000 0.988 152 V HN 0.383 nan 8.190 nan 0.000 0.431 153 P HA -0.002 nan 4.420 nan 0.000 0.263 153 P C 0.100 177.370 177.300 -0.049 0.000 1.168 153 P CA 0.743 63.816 63.100 -0.045 0.000 0.759 153 P CB 0.442 32.129 31.700 -0.021 0.000 0.782 162 V N -0.748 119.110 119.914 -0.093 0.000 3.998 162 V HA 0.967 5.089 4.120 0.003 0.000 0.297 162 V C -0.041 175.997 176.094 -0.093 0.000 1.378 162 V CA -0.352 61.888 62.300 -0.099 0.000 0.949 162 V CB 1.754 33.490 31.823 -0.144 0.000 1.258 162 V HN 0.779 nan 8.190 nan 0.000 0.471 163 S N -0.403 115.242 115.700 -0.091 0.000 2.540 163 S HA 0.847 5.319 4.470 0.003 0.000 0.275 163 S C -0.383 174.195 174.600 -0.037 0.000 1.123 163 S CA -0.178 57.989 58.200 -0.055 0.000 0.907 163 S CB 2.663 65.846 63.200 -0.029 0.000 1.081 163 S HN 1.265 nan 8.310 nan 0.000 0.476 164 R N 2.072 122.561 120.500 -0.017 0.000 5.264 164 R HA 0.590 4.932 4.340 0.003 0.000 0.100 164 R C 0.789 177.097 176.300 0.012 0.000 1.065 164 R CA -0.093 56.017 56.100 0.017 0.000 0.773 164 R CB -0.502 29.830 30.300 0.053 0.000 1.112 164 R HN 0.722 nan 8.270 nan 0.000 0.383 165 G N -0.597 108.210 108.800 0.012 0.000 2.795 165 G HA2 0.553 4.515 3.960 0.003 0.000 0.267 165 G HA3 0.553 4.515 3.960 0.003 0.000 0.267 165 G C -0.738 174.164 174.900 0.003 0.000 1.362 165 G CA -0.724 44.381 45.100 0.009 0.000 1.048 165 G HN 0.624 nan 8.290 nan 0.000 0.547 166 G N -1.913 106.890 108.800 0.004 0.000 3.411 166 G HA2 0.482 4.444 3.960 0.003 0.000 0.298 166 G HA3 0.482 4.444 3.960 0.003 0.000 0.298 166 G C -0.510 174.391 174.900 0.002 0.000 3.379 166 G CA 0.389 45.489 45.100 0.001 0.000 0.608 166 G HN 1.752 nan 8.290 nan 0.000 0.292 167 C N 0.584 119.890 119.300 0.011 0.000 3.173 167 C HA 0.564 5.026 4.460 0.003 0.000 0.209 167 C C 1.299 176.306 174.990 0.027 0.000 1.229 167 C CA -0.053 58.971 59.018 0.010 0.000 1.109 167 C CB 0.012 27.767 27.740 0.025 0.000 1.833 167 C HN 1.161 nan 8.230 nan 0.000 0.626 168 G N 2.889 111.700 108.800 0.018 0.000 3.194 168 G HA2 0.025 3.986 3.960 0.003 0.000 0.208 168 G HA3 0.025 3.986 3.960 0.003 0.000 0.208 168 G C 0.612 175.539 174.900 0.045 0.000 1.240 168 G CA 0.338 45.455 45.100 0.028 0.000 1.044 168 G HN 0.946 nan 8.290 nan 0.000 0.495 169 N N -0.436 118.303 118.700 0.066 0.000 2.332 169 N HA 0.125 4.867 4.740 0.003 0.000 0.285 169 N C -0.529 175.077 175.510 0.161 0.000 1.292 169 N CA -0.141 52.974 53.050 0.109 0.000 0.947 169 N CB 0.145 38.699 38.487 0.112 0.000 1.084 169 N HN -0.082 nan 8.380 nan 0.000 0.529 170 T N -0.030 114.683 114.554 0.265 0.000 2.794 170 T HA 0.093 4.445 4.350 0.003 0.000 0.280 170 T C -0.102 174.707 174.700 0.182 0.000 0.987 170 T CA -0.599 61.636 62.100 0.226 0.000 0.993 170 T CB 1.562 70.599 68.868 0.281 0.000 0.939 170 T HN 0.394 nan 8.240 nan 0.000 0.449 171 Q N 4.342 124.159 119.800 0.028 0.000 2.307 171 Q HA 0.185 4.527 4.340 0.003 0.000 0.259 171 Q C -2.175 173.666 176.000 -0.265 0.000 0.998 171 Q CA -1.963 53.792 55.803 -0.080 0.000 0.923 171 Q CB 0.572 29.284 28.738 -0.045 0.000 1.196 171 Q HN 0.301 nan 8.270 nan 0.000 0.416 172 P HA -0.066 nan 4.420 nan 0.000 0.270 172 P C -0.675 176.407 177.300 -0.364 0.000 1.221 172 P CA 0.127 62.778 63.100 -0.747 0.000 0.788 172 P CB 0.346 31.428 31.700 -1.028 0.000 0.904 173 T N 1.628 116.003 114.554 -0.297 0.000 3.945 173 T HA 0.298 4.650 4.350 0.003 0.000 0.306 173 T C 0.683 175.308 174.700 -0.125 0.000 1.475 173 T CA -0.214 61.792 62.100 -0.158 0.000 1.177 173 T CB -1.295 67.510 68.868 -0.105 0.000 1.272 173 T HN 0.210 nan 8.240 nan 0.000 0.930 174 I N 2.880 123.383 120.570 -0.111 0.000 2.598 174 I HA 0.176 4.348 4.170 0.003 0.000 0.284 174 I C 1.036 177.145 176.117 -0.012 0.000 1.140 174 I CA -0.053 61.206 61.300 -0.067 0.000 1.420 174 I CB 0.323 38.300 38.000 -0.038 0.000 1.387 174 I HN 0.248 nan 8.210 nan 0.000 0.553 175 R N 4.812 125.306 120.500 -0.011 0.000 2.797 175 R HA 0.521 4.862 4.340 0.003 0.000 0.251 175 R C -0.355 175.946 176.300 0.001 0.000 1.107 175 R CA -1.196 54.908 56.100 0.005 0.000 1.084 175 R CB 1.210 31.512 30.300 0.004 0.000 1.205 175 R HN 0.385 nan 8.270 nan 0.000 0.515 176 K N 1.791 122.191 120.400 0.001 0.000 2.263 176 K HA 0.094 4.416 4.320 0.003 0.000 0.272 176 K C -1.128 175.465 176.600 -0.012 0.000 1.033 176 K CA -0.067 56.210 56.287 -0.017 0.000 0.884 176 K CB 0.957 33.448 32.500 -0.014 0.000 1.107 176 K HN 0.507 nan 8.250 nan 0.000 0.460 177 D N 3.054 123.442 120.400 -0.020 0.000 2.517 177 D HA 0.180 4.822 4.640 0.003 0.000 0.301 177 D C -0.231 176.061 176.300 -0.013 0.000 1.202 177 D CA -0.267 53.728 54.000 -0.008 0.000 0.910 177 D CB 0.272 41.074 40.800 0.004 0.000 1.021 177 D HN 0.820 nan 8.370 nan 0.000 0.499 178 G N 3.231 112.023 108.800 -0.014 0.000 2.261 178 G HA2 -0.227 3.735 3.960 0.003 0.000 0.220 178 G HA3 -0.227 3.735 3.960 0.003 0.000 0.220 178 G C 1.082 175.978 174.900 -0.007 0.000 0.572 178 G CA 0.583 45.682 45.100 -0.002 0.000 1.011 178 G HN 1.285 nan 8.290 nan 0.000 0.328 179 L N -2.635 118.554 121.223 -0.057 0.000 3.858 179 L HA -0.178 4.164 4.340 0.003 0.000 0.425 179 L C 0.004 176.787 176.870 -0.145 0.000 1.177 179 L CA 1.985 56.754 54.840 -0.118 0.000 0.943 179 L CB -1.665 40.411 42.059 0.029 0.000 1.861 179 L HN 0.720 nan 8.230 nan 0.000 0.985 180 K N 0.921 121.236 120.400 -0.141 0.000 2.615 180 K HA 0.697 5.019 4.320 0.003 0.000 0.249 180 K C -0.922 175.647 176.600 -0.052 0.000 0.977 180 K CA -0.417 55.847 56.287 -0.038 0.000 0.833 180 K CB 1.426 33.957 32.500 0.052 0.000 1.208 180 K HN 0.319 nan 8.250 nan 0.000 0.443 181 L N 4.137 125.347 121.223 -0.022 0.000 2.260 181 L HA 0.565 4.907 4.340 0.003 0.000 0.289 181 L C -0.468 176.439 176.870 0.061 0.000 1.057 181 L CA -1.050 53.795 54.840 0.008 0.000 0.811 181 L CB 1.467 43.547 42.059 0.036 0.000 1.184 181 L HN 0.341 nan 8.230 nan 0.000 0.429 182 V N 3.436 123.370 119.914 0.033 0.000 2.656 182 V HA 0.908 5.030 4.120 0.003 0.000 0.307 182 V C -0.118 175.967 176.094 -0.016 0.000 1.051 182 V CA -0.130 62.194 62.300 0.041 0.000 0.893 182 V CB 2.016 33.874 31.823 0.058 0.000 0.999 182 V HN 0.754 nan 8.190 nan 0.000 0.426 183 G N 3.152 111.912 108.800 -0.066 0.000 2.571 183 G HA2 0.561 4.523 3.960 0.003 0.000 0.304 183 G HA3 0.561 4.523 3.960 0.003 0.000 0.304 183 G C -0.703 174.033 174.900 -0.274 0.000 1.314 183 G CA -0.282 44.673 45.100 -0.241 0.000 0.975 183 G HN 0.859 nan 8.290 nan 0.000 0.485 184 S N -0.686 114.873 115.700 -0.234 0.000 2.640 184 S HA 0.606 5.078 4.470 0.003 0.000 0.262 184 S C 0.110 174.599 174.600 -0.185 0.000 1.232 184 S CA -0.332 57.826 58.200 -0.069 0.000 0.988 184 S CB 0.616 63.797 63.200 -0.031 0.000 1.034 184 S HN 0.658 nan 8.310 nan 0.000 0.569 185 W N -0.270 121.044 121.300 0.024 0.000 4.558 185 W HA 0.286 4.948 4.660 0.003 0.000 0.167 185 W C 0.313 176.843 176.519 0.018 0.000 3.435 185 W CA -0.136 57.224 57.345 0.024 0.000 1.301 185 W CB -0.814 28.665 29.460 0.031 0.000 2.030 185 W HN 0.681 nan 8.180 nan 0.000 0.464 200 R N 1.010 121.688 120.500 0.297 0.000 2.242 200 R HA 0.425 4.767 4.340 0.003 0.000 0.334 200 R C -1.214 175.245 176.300 0.264 0.000 1.071 200 R CA -0.340 55.924 56.100 0.273 0.000 0.922 200 R CB 0.669 31.132 30.300 0.271 0.000 1.023 200 R HN 0.313 nan 8.270 nan 0.000 0.458 201 V N 7.352 127.370 119.914 0.174 0.000 2.390 201 V HA 0.005 4.127 4.120 0.003 0.000 0.260 201 V C 0.369 176.559 176.094 0.159 0.000 1.043 201 V CA -0.293 62.095 62.300 0.147 0.000 1.047 201 V CB 0.294 32.186 31.823 0.114 0.000 1.066 201 V HN 0.630 nan 8.190 nan 0.000 0.481 202 L N 4.992 126.317 121.223 0.170 0.000 2.774 202 L HA 0.005 4.347 4.340 0.003 0.000 0.279 202 L C 1.167 178.134 176.870 0.162 0.000 1.137 202 L CA 1.051 55.989 54.840 0.163 0.000 1.021 202 L CB -0.420 41.727 42.059 0.145 0.000 1.366 202 L HN 0.719 nan 8.230 nan 0.000 0.471 203 S N 1.787 117.555 115.700 0.113 0.000 2.558 203 S HA -0.062 4.410 4.470 0.003 0.000 0.293 203 S C 1.622 176.239 174.600 0.029 0.000 1.292 203 S CA 0.043 58.289 58.200 0.077 0.000 1.063 203 S CB 0.513 63.741 63.200 0.047 0.000 0.831 203 S HN 0.788 nan 8.310 nan 0.000 0.499 204 T N 4.149 118.678 114.554 -0.042 0.000 2.737 204 T HA -0.173 4.179 4.350 0.003 0.000 0.269 204 T C 1.642 176.213 174.700 -0.215 0.000 1.040 204 T CA 1.790 63.692 62.100 -0.330 0.000 1.142 204 T CB -0.326 68.252 68.868 -0.484 0.000 0.861 204 T HN 0.849 nan 8.240 nan 0.000 0.456 205 E N 0.747 120.887 120.200 -0.099 0.000 2.106 205 E HA -0.155 4.197 4.350 0.003 0.000 0.192 205 E C 2.253 178.832 176.600 -0.036 0.000 0.984 205 E CA 0.739 57.107 56.400 -0.054 0.000 0.806 205 E CB 0.047 29.734 29.700 -0.021 0.000 0.750 205 E HN 0.422 nan 8.360 nan 0.000 0.458 206 E N 0.481 120.665 120.200 -0.027 0.000 2.048 206 E HA -0.231 4.121 4.350 0.003 0.000 0.202 206 E C 2.186 178.748 176.600 -0.064 0.000 1.021 206 E CA 1.626 58.009 56.400 -0.027 0.000 0.825 206 E CB -0.284 29.410 29.700 -0.012 0.000 0.756 206 E HN 0.432 nan 8.360 nan 0.000 0.454 207 I N 1.587 122.109 120.570 -0.079 0.000 2.567 207 I HA -0.229 3.943 4.170 0.003 0.000 0.257 207 I C 2.497 178.539 176.117 -0.126 0.000 1.184 207 I CA 0.299 61.501 61.300 -0.164 0.000 1.451 207 I CB -0.277 37.686 38.000 -0.062 0.000 1.089 207 I HN 0.155 nan 8.210 nan 0.000 0.441 208 L N 1.391 122.602 121.223 -0.019 0.000 1.994 208 L HA -0.238 4.104 4.340 0.003 0.000 0.208 208 L C 2.236 179.113 176.870 0.012 0.000 1.071 208 L CA 2.224 57.093 54.840 0.048 0.000 0.745 208 L CB -1.013 41.065 42.059 0.032 0.000 0.892 208 L HN 0.318 nan 8.230 nan 0.000 0.431 209 N N 0.220 118.906 118.700 -0.023 0.000 2.223 209 N HA -0.187 4.555 4.740 0.003 0.000 0.185 209 N C 1.713 177.217 175.510 -0.010 0.000 1.016 209 N CA 1.333 54.372 53.050 -0.018 0.000 0.863 209 N CB -0.076 38.423 38.487 0.019 0.000 0.983 209 N HN 0.326 nan 8.380 nan 0.000 0.429 210 I N -0.318 120.199 120.570 -0.088 0.000 2.163 210 I HA -0.171 4.001 4.170 0.003 0.000 0.240 210 I C 1.477 177.547 176.117 -0.079 0.000 1.081 210 I CA 0.982 62.198 61.300 -0.140 0.000 1.353 210 I CB -1.478 36.312 38.000 -0.350 0.000 1.054 210 I HN 0.028 nan 8.210 nan 0.000 0.407 211 F N 1.317 121.271 119.950 0.006 0.000 2.407 211 F HA -0.051 4.478 4.527 0.003 0.000 0.299 211 F C 2.426 178.204 175.800 -0.037 0.000 1.097 211 F CA 0.757 58.747 58.000 -0.016 0.000 1.422 211 F CB -0.858 38.111 39.000 -0.052 0.000 1.067 211 F HN 0.079 nan 8.300 nan 0.000 0.539 212 K N -0.910 119.535 120.400 0.075 0.000 2.365 212 K HA -0.098 4.224 4.320 0.003 0.000 0.199 212 K C 0.736 177.236 176.600 -0.167 0.000 1.045 212 K CA 0.868 57.107 56.287 -0.079 0.000 0.962 212 K CB -0.014 32.374 32.500 -0.187 0.000 0.759 212 K HN 0.227 nan 8.250 nan 0.000 0.469 213 H N -0.108 118.999 119.070 0.062 0.000 2.512 213 H HA 0.158 4.716 4.556 0.003 0.000 0.276 213 H C -0.330 174.988 175.328 -0.017 0.000 1.126 213 H CA -0.360 55.701 56.048 0.022 0.000 1.060 213 H CB 0.350 30.118 29.762 0.011 0.000 1.646 213 H HN -0.007 nan 8.280 nan 0.000 0.571 214 I N 1.416 122.024 120.570 0.063 0.000 2.474 214 I HA -0.026 4.146 4.170 0.003 0.000 0.287 214 I C 1.281 177.179 176.117 -0.365 0.000 1.048 214 I CA -0.036 61.197 61.300 -0.111 0.000 1.383 214 I CB 1.008 38.951 38.000 -0.095 0.000 1.412 214 I HN 0.077 nan 8.210 nan 0.000 0.531 215 S N 4.334 119.844 115.700 -0.316 0.000 2.563 215 S HA 0.046 4.518 4.470 0.003 0.000 0.294 215 S C 1.368 175.616 174.600 -0.587 0.000 1.279 215 S CA -0.627 57.384 58.200 -0.315 0.000 1.069 215 S CB 0.614 63.705 63.200 -0.182 0.000 0.828 215 S HN 0.356 nan 8.310 nan 0.000 0.497 216 V N 5.922 125.623 119.914 -0.356 0.000 2.594 216 V HA -0.111 4.011 4.120 0.003 0.000 0.253 216 V C 2.322 178.354 176.094 -0.104 0.000 1.069 216 V CA 1.720 63.883 62.300 -0.228 0.000 1.082 216 V CB -0.698 31.130 31.823 0.009 0.000 0.680 216 V HN 0.818 nan 8.190 nan 0.000 0.469 217 K N -0.488 119.848 120.400 -0.107 0.000 2.314 217 K HA -0.028 4.294 4.320 0.003 0.000 0.198 217 K C 1.552 178.133 176.600 -0.030 0.000 1.045 217 K CA 0.569 56.843 56.287 -0.021 0.000 0.988 217 K CB -0.042 32.452 32.500 -0.010 0.000 0.783 217 K HN 0.362 nan 8.250 nan 0.000 0.484 218 D N 0.361 120.674 120.400 -0.145 0.000 2.348 218 D HA -0.052 4.590 4.640 0.003 0.000 0.216 218 D C 1.302 177.595 176.300 -0.011 0.000 0.970 218 D CA 0.655 54.601 54.000 -0.091 0.000 0.889 218 D CB 0.034 40.759 40.800 -0.125 0.000 0.912 218 D HN 0.126 nan 8.370 nan 0.000 0.524 219 F N 1.178 121.161 119.950 0.056 0.000 2.009 219 F HA -0.194 4.335 4.527 0.003 0.000 0.293 219 F C 2.678 178.587 175.800 0.181 0.000 1.156 219 F CA 1.044 59.102 58.000 0.098 0.000 1.168 219 F CB -0.939 38.071 39.000 0.016 0.000 0.981 219 F HN -0.105 nan 8.300 nan 0.000 0.475 220 T N -0.552 114.223 114.554 0.367 0.000 2.684 220 T HA -0.277 4.075 4.350 0.003 0.000 0.267 220 T C 1.816 176.626 174.700 0.182 0.000 1.032 220 T CA 1.854 64.090 62.100 0.227 0.000 1.155 220 T CB -0.691 68.272 68.868 0.157 0.000 0.857 220 T HN 0.169 nan 8.240 nan 0.000 0.457 221 S N 1.127 116.932 115.700 0.174 0.000 2.515 221 S HA 0.102 4.574 4.470 0.003 0.000 0.231 221 S C 0.884 175.603 174.600 0.198 0.000 0.987 221 S CA 0.422 58.709 58.200 0.146 0.000 0.936 221 S CB -0.221 63.041 63.200 0.104 0.000 0.766 221 S HN 0.575 nan 8.310 nan 0.000 0.528 222 L N -1.759 119.636 121.223 0.287 0.000 3.059 222 L HA 0.708 5.050 4.340 0.003 0.000 0.298 222 L C 0.436 177.475 176.870 0.282 0.000 1.304 222 L CA -0.500 54.594 54.840 0.423 0.000 0.855 222 L CB -0.265 42.122 42.059 0.547 0.000 1.266 222 L HN 0.004 nan 8.230 nan 0.000 0.572 223 G N -0.506 108.338 108.800 0.073 0.000 2.385 223 G HA2 -0.264 3.698 3.960 0.003 0.000 0.294 223 G HA3 -0.264 3.698 3.960 0.003 0.000 0.294 223 G C -0.468 174.082 174.900 -0.582 0.000 1.070 223 G CA 0.349 45.303 45.100 -0.244 0.000 1.172 223 G HN 0.344 nan 8.290 nan 0.000 0.516 224 F N -0.796 119.132 119.950 -0.037 0.000 2.706 224 F HA 0.674 5.203 4.527 0.003 0.000 0.328 224 F C 0.521 176.282 175.800 -0.064 0.000 1.123 224 F CA -1.097 56.834 58.000 -0.116 0.000 0.978 224 F CB 2.117 40.986 39.000 -0.218 0.000 1.404 224 F HN 0.093 nan 8.300 nan 0.000 0.497 225 N N 0.486 119.259 118.700 0.122 0.000 2.697 225 N HA 0.134 4.876 4.740 0.003 0.000 0.253 225 N C 0.147 175.663 175.510 0.010 0.000 1.604 225 N CA 0.111 53.228 53.050 0.111 0.000 0.772 225 N CB 0.321 38.936 38.487 0.214 0.000 1.267 225 N HN 0.726 nan 8.380 nan 0.000 0.510 226 E N -0.656 119.467 120.200 -0.127 0.000 3.805 226 E HA -0.447 3.905 4.350 0.003 0.000 0.265 226 E C 1.155 177.601 176.600 -0.256 0.000 1.259 226 E CA 3.604 59.872 56.400 -0.221 0.000 1.978 226 E CB -0.893 28.785 29.700 -0.036 0.000 1.780 226 E HN 0.281 nan 8.360 nan 0.000 0.278 227 V N -2.048 117.767 119.914 -0.165 0.000 2.379 227 V HA -0.091 4.031 4.120 0.003 0.000 0.245 227 V C 2.267 178.294 176.094 -0.112 0.000 1.044 227 V CA 2.278 64.462 62.300 -0.193 0.000 1.036 227 V CB -0.958 30.622 31.823 -0.404 0.000 0.664 227 V HN 0.410 nan 8.190 nan 0.000 0.453 228 F N 1.949 121.947 119.950 0.081 0.000 2.270 228 F HA 0.229 4.758 4.527 0.003 0.000 0.295 228 F C 1.338 177.238 175.800 0.168 0.000 1.087 228 F CA 0.990 59.047 58.000 0.096 0.000 1.365 228 F CB 0.120 39.137 39.000 0.028 0.000 1.056 228 F HN 0.409 nan 8.300 nan 0.000 0.506 229 S N 0.267 116.102 115.700 0.225 0.000 2.592 229 S HA 0.679 5.151 4.470 0.003 0.000 0.275 229 S C -1.109 173.324 174.600 -0.278 0.000 1.169 229 S CA -1.034 57.232 58.200 0.110 0.000 0.958 229 S CB 1.655 64.956 63.200 0.168 0.000 1.095 229 S HN 0.307 nan 8.310 nan 0.000 0.471 230 R N 1.807 121.803 120.500 -0.841 0.000 2.604 230 R HA 0.597 4.939 4.340 0.003 0.000 0.281 230 R C -2.897 172.651 176.300 -1.254 0.000 1.020 230 R CA -2.153 53.076 56.100 -1.451 0.000 0.899 230 R CB 0.736 29.938 30.300 -1.831 0.000 1.205 230 R HN 0.248 nan 8.270 nan 0.000 0.450 231 P HA -0.285 nan 4.420 nan 0.000 0.219 231 P C 0.604 177.527 177.300 -0.629 0.000 1.145 231 P CA 1.374 63.770 63.100 -1.172 0.000 0.813 231 P CB 0.172 30.880 31.700 -1.653 0.000 0.771 232 E N -2.093 117.854 120.200 -0.422 0.000 2.481 232 E HA -0.129 4.223 4.350 0.003 0.000 0.195 232 E C 0.922 177.633 176.600 0.185 0.000 1.047 232 E CA 0.702 57.082 56.400 -0.034 0.000 0.867 232 E CB -0.727 28.978 29.700 0.009 0.000 0.858 232 E HN 0.348 nan 8.360 nan 0.000 0.513 233 W N 0.427 121.648 121.300 -0.132 0.000 3.013 233 W HA 0.372 5.034 4.660 0.003 0.000 0.280 233 W C 1.959 178.425 176.519 -0.088 0.000 1.249 233 W CA -0.647 56.655 57.345 -0.071 0.000 1.577 233 W CB -0.591 28.820 29.460 -0.081 0.000 1.057 233 W HN 0.046 nan 8.180 nan 0.000 0.613 234 M N 0.736 120.326 119.600 -0.016 0.000 2.279 234 M HA -0.093 4.389 4.480 0.003 0.000 0.264 234 M C 0.159 176.505 176.300 0.077 0.000 1.062 234 M CA 1.412 56.583 55.300 -0.215 0.000 1.099 234 M CB -0.114 32.272 32.600 -0.357 0.000 1.394 234 M HN -0.243 nan 8.290 nan 0.000 0.426 235 I N -0.704 119.963 120.570 0.161 0.000 2.437 235 I HA 0.308 4.480 4.170 0.003 0.000 0.298 235 I C -0.818 175.417 176.117 0.198 0.000 0.984 235 I CA -0.630 60.795 61.300 0.207 0.000 1.214 235 I CB 0.855 38.920 38.000 0.108 0.000 1.365 235 I HN -0.091 nan 8.210 nan 0.000 0.469 236 L N 4.806 126.139 121.223 0.183 0.000 2.260 236 L HA 0.366 4.708 4.340 0.003 0.000 0.289 236 L C 0.981 177.900 176.870 0.082 0.000 1.057 236 L CA -0.046 54.890 54.840 0.159 0.000 0.811 236 L CB 1.289 43.445 42.059 0.161 0.000 1.184 236 L HN 1.015 nan 8.230 nan 0.000 0.429 237 T N -1.990 112.611 114.554 0.079 0.000 2.999 237 T HA 0.062 4.414 4.350 0.003 0.000 0.247 237 T C 0.407 175.129 174.700 0.037 0.000 1.012 237 T CA -0.141 61.989 62.100 0.050 0.000 1.048 237 T CB 0.348 69.251 68.868 0.058 0.000 1.020 237 T HN 0.484 nan 8.240 nan 0.000 0.478 238 C N 1.990 121.312 119.300 0.036 0.000 2.571 238 C HA 0.745 5.207 4.460 0.003 0.000 0.343 238 C C -0.756 174.239 174.990 0.009 0.000 1.082 238 C CA -1.421 57.614 59.018 0.028 0.000 1.339 238 C CB -0.311 27.450 27.740 0.035 0.000 1.893 238 C HN 0.672 nan 8.230 nan 0.000 0.445 239 L N 9.126 130.350 121.223 0.001 0.000 2.326 239 L HA 0.633 4.975 4.340 0.003 0.000 0.278 239 L C -2.000 174.853 176.870 -0.029 0.000 1.092 239 L CA -0.943 53.890 54.840 -0.012 0.000 0.810 239 L CB 1.160 43.203 42.059 -0.026 0.000 1.153 239 L HN 0.481 nan 8.230 nan 0.000 0.439 240 P HA 0.157 nan 4.420 nan 0.000 0.284 240 P C -1.173 176.238 177.300 0.186 0.000 1.253 240 P CA -0.350 62.753 63.100 0.004 0.000 0.800 240 P CB 1.330 32.843 31.700 -0.310 0.000 0.961 241 V N 0.876 120.918 119.914 0.214 0.000 2.348 241 V HA 0.371 4.493 4.120 0.003 0.000 0.270 241 V C -2.295 173.795 176.094 -0.007 0.000 1.037 241 V CA -2.788 59.569 62.300 0.095 0.000 0.872 241 V CB 0.611 32.417 31.823 -0.027 0.000 1.002 241 V HN 0.408 nan 8.190 nan 0.000 0.464 242 P HA 0.270 nan 4.420 nan 0.000 0.271 242 P C -2.404 174.688 177.300 -0.347 0.000 1.233 242 P CA -1.135 61.748 63.100 -0.363 0.000 0.764 242 P CB 0.385 32.090 31.700 0.008 0.000 0.825 243 P HA 0.061 nan 4.420 nan 0.000 0.269 243 P C -1.716 175.462 177.300 -0.203 0.000 1.215 243 P CA -1.361 61.544 63.100 -0.326 0.000 0.780 243 P CB -0.348 31.121 31.700 -0.384 0.000 0.898 244 P HA -0.140 nan 4.420 nan 0.000 0.217 244 P C -1.036 176.211 177.300 -0.089 0.000 1.148 244 P CA 2.385 65.426 63.100 -0.099 0.000 0.834 244 P CB -2.077 29.572 31.700 -0.086 0.000 0.783 245 P HA -0.105 nan 4.420 nan 0.000 0.221 245 P C 1.024 178.286 177.300 -0.063 0.000 1.141 245 P CA 1.227 64.277 63.100 -0.083 0.000 0.794 245 P CB -0.470 31.172 31.700 -0.097 0.000 0.764 246 V N -1.302 118.570 119.914 -0.071 0.000 3.121 246 V HA 0.297 4.419 4.120 0.003 0.000 0.344 246 V C 1.016 177.097 176.094 -0.022 0.000 1.390 246 V CA -0.093 62.183 62.300 -0.040 0.000 1.177 246 V CB -0.675 31.125 31.823 -0.037 0.000 1.163 246 V HN 0.062 nan 8.190 nan 0.000 0.484 247 R N 0.665 121.148 120.500 -0.028 0.000 2.502 247 R HA 0.186 4.528 4.340 0.003 0.000 0.178 247 R C -3.012 173.279 176.300 -0.014 0.000 1.235 247 R CA -0.532 55.563 56.100 -0.009 0.000 1.159 247 R CB 0.997 31.297 30.300 -0.001 0.000 1.385 247 R HN 0.290 nan 8.270 nan 0.000 0.767 248 P HA 0.281 nan 4.420 nan 0.000 0.317 248 P C -0.021 177.265 177.300 -0.023 0.000 1.316 248 P CA -0.126 62.956 63.100 -0.030 0.000 0.744 248 P CB 0.680 32.358 31.700 -0.037 0.000 1.521 249 S N -1.326 114.352 115.700 -0.037 0.000 3.669 249 S HA 0.234 4.706 4.470 0.003 0.000 0.171 249 S C 0.778 175.334 174.600 -0.073 0.000 0.855 249 S CA -0.219 57.959 58.200 -0.037 0.000 1.037 249 S CB -0.795 62.385 63.200 -0.034 0.000 1.477 249 S HN 0.519 nan 8.310 nan 0.000 0.854 250 I N 2.362 122.880 120.570 -0.088 0.000 3.543 250 I HA 0.335 4.507 4.170 0.003 0.000 0.262 250 I C 0.515 176.490 176.117 -0.236 0.000 1.301 250 I CA 0.603 61.822 61.300 -0.136 0.000 1.242 250 I CB -0.280 37.664 38.000 -0.094 0.000 1.402 250 I HN 0.737 nan 8.210 nan 0.000 0.671 251 S N 1.006 116.500 115.700 -0.344 0.000 6.075 251 S HA 0.194 4.666 4.470 0.003 0.000 0.116 251 S C 0.940 175.322 174.600 -0.364 0.000 1.284 251 S CA 0.297 58.191 58.200 -0.510 0.000 1.186 251 S CB -0.369 62.199 63.200 -1.054 0.000 1.959 251 S HN 0.693 nan 8.310 nan 0.000 0.634 252 F N 4.422 124.372 119.950 0.000 0.000 2.374 252 F HA 0.327 4.855 4.527 0.003 0.000 0.291 252 F C 1.693 177.494 175.800 0.001 0.000 1.084 252 F CA -0.171 57.829 58.000 -0.000 0.000 1.413 252 F CB -1.644 37.355 39.000 -0.001 0.000 1.099 252 F HN 0.507 nan 8.300 nan 0.000 0.534 253 N N 1.931 120.820 118.700 0.314 0.000 0.906 253 N HA -0.372 4.370 4.740 0.003 0.000 0.160 253 N C -0.037 175.529 175.510 0.094 0.000 0.314 253 N CA 1.857 55.014 53.050 0.178 0.000 0.850 253 N CB -1.295 37.224 38.487 0.053 0.000 1.749 253 N HN 0.546 nan 8.380 nan 0.000 0.606 254 E N -1.312 118.915 120.200 0.045 0.000 1.820 254 E HA -0.154 4.198 4.350 0.003 0.000 0.296 254 E C -0.124 176.497 176.600 0.034 0.000 1.702 254 E CA 0.530 56.947 56.400 0.028 0.000 1.076 254 E CB -0.790 28.918 29.700 0.013 0.000 0.745 254 E HN 0.512 nan 8.360 nan 0.000 0.333 255 S N 1.964 117.682 115.700 0.030 0.000 2.548 255 S HA -0.052 4.420 4.470 0.003 0.000 0.215 255 S C 0.622 175.242 174.600 0.033 0.000 0.976 255 S CA 0.162 58.376 58.200 0.023 0.000 0.908 255 S CB 0.329 63.538 63.200 0.014 0.000 0.781 255 S HN 0.489 nan 8.310 nan 0.000 0.519 256 Q N 1.669 121.503 119.800 0.057 0.000 2.394 256 Q HA 0.386 4.728 4.340 0.003 0.000 0.259 256 Q C 0.373 176.452 176.000 0.131 0.000 1.021 256 Q CA -0.380 55.468 55.803 0.074 0.000 0.805 256 Q CB 0.346 29.123 28.738 0.065 0.000 1.226 256 Q HN 0.450 nan 8.270 nan 0.000 0.476 257 R N 1.970 122.542 120.500 0.121 0.000 2.230 257 R HA 0.114 4.456 4.340 0.003 0.000 0.165 257 R C 0.380 176.709 176.300 0.049 0.000 0.665 257 R CA 0.040 56.180 56.100 0.067 0.000 1.065 257 R CB -0.651 29.689 30.300 0.068 0.000 1.439 257 R HN 0.588 nan 8.270 nan 0.000 0.460 258 G N 1.583 110.410 108.800 0.046 0.000 3.291 258 G HA2 -0.022 3.939 3.960 0.003 0.000 0.224 258 G HA3 -0.022 3.939 3.960 0.003 0.000 0.224 258 G C -0.588 174.342 174.900 0.051 0.000 1.178 258 G CA 0.580 45.696 45.100 0.027 0.000 0.862 258 G HN 0.404 nan 8.290 nan 0.000 0.546 259 E N -0.586 119.695 120.200 0.136 0.000 2.352 259 E HA 0.230 4.582 4.350 0.003 0.000 0.280 259 E C -0.629 176.102 176.600 0.218 0.000 0.930 259 E CA -0.723 55.783 56.400 0.178 0.000 0.765 259 E CB 1.678 31.499 29.700 0.202 0.000 1.219 259 E HN 0.501 nan 8.360 nan 0.000 0.434 260 D N 1.298 121.772 120.400 0.123 0.000 2.363 260 D HA -0.022 4.620 4.640 0.003 0.000 0.240 260 D C 0.147 176.530 176.300 0.139 0.000 1.236 260 D CA 0.147 54.191 54.000 0.073 0.000 0.927 260 D CB 0.972 41.792 40.800 0.033 0.000 1.150 260 D HN 0.452 nan 8.370 nan 0.000 0.458 261 D N 0.691 121.120 120.400 0.048 0.000 2.277 261 D HA -0.016 4.626 4.640 0.003 0.000 0.208 261 D C 1.760 178.136 176.300 0.126 0.000 0.962 261 D CA 0.360 54.383 54.000 0.039 0.000 0.865 261 D CB 0.184 40.965 40.800 -0.033 0.000 0.939 261 D HN 0.339 nan 8.370 nan 0.000 0.510 262 L N 0.364 121.659 121.223 0.121 0.000 2.418 262 L HA -0.039 4.303 4.340 0.003 0.000 0.218 262 L C 1.894 178.846 176.870 0.138 0.000 1.125 262 L CA 0.783 55.712 54.840 0.149 0.000 0.835 262 L CB -0.155 41.989 42.059 0.141 0.000 0.953 262 L HN -0.000 nan 8.230 nan 0.000 0.454 263 T N -1.415 113.227 114.554 0.146 0.000 3.023 263 T HA -0.063 4.289 4.350 0.003 0.000 0.266 263 T C 1.466 176.194 174.700 0.048 0.000 1.093 263 T CA 0.865 63.012 62.100 0.079 0.000 1.129 263 T CB -0.172 68.735 68.868 0.066 0.000 0.899 263 T HN 0.158 nan 8.240 nan 0.000 0.491 264 F N 0.875 120.814 119.950 -0.018 0.000 2.569 264 F HA 0.295 4.824 4.527 0.003 0.000 0.295 264 F C 2.352 178.122 175.800 -0.049 0.000 1.115 264 F CA 0.342 58.325 58.000 -0.028 0.000 1.450 264 F CB 0.147 39.138 39.000 -0.015 0.000 1.107 264 F HN -0.013 nan 8.300 nan 0.000 0.563 265 K N 0.753 121.235 120.400 0.136 0.000 2.029 265 K HA 0.047 4.369 4.320 0.003 0.000 0.205 265 K C 1.529 178.096 176.600 -0.056 0.000 1.042 265 K CA 0.645 56.962 56.287 0.049 0.000 0.949 265 K CB -0.257 32.328 32.500 0.142 0.000 0.740 265 K HN 0.101 nan 8.250 nan 0.000 0.442 266 L N 0.949 122.126 121.223 -0.078 0.000 2.955 266 L HA -0.094 4.248 4.340 0.003 0.000 0.260 266 L C 1.302 178.087 176.870 -0.141 0.000 1.146 266 L CA 0.271 55.005 54.840 -0.177 0.000 0.905 266 L CB -0.397 41.552 42.059 -0.183 0.000 1.136 266 L HN 0.349 nan 8.230 nan 0.000 0.438 267 A N -1.349 121.395 122.820 -0.127 0.000 2.026 267 A HA 0.020 4.342 4.320 0.003 0.000 0.198 267 A C 1.701 179.204 177.584 -0.134 0.000 1.390 267 A CA -0.052 51.906 52.037 -0.132 0.000 0.915 267 A CB 0.147 19.052 19.000 -0.159 0.000 0.974 267 A HN 0.244 nan 8.150 nan 0.000 0.477 268 D N 0.965 121.260 120.400 -0.174 0.000 2.310 268 D HA -0.102 4.540 4.640 0.003 0.000 0.212 268 D C 1.823 178.004 176.300 -0.199 0.000 0.965 268 D CA 1.326 55.147 54.000 -0.299 0.000 0.879 268 D CB -0.015 40.416 40.800 -0.614 0.000 0.921 268 D HN 0.632 nan 8.370 nan 0.000 0.510 269 I N -1.282 119.224 120.570 -0.108 0.000 2.512 269 I HA -0.025 4.147 4.170 0.003 0.000 0.247 269 I C 2.205 178.295 176.117 -0.045 0.000 1.094 269 I CA 0.268 61.555 61.300 -0.023 0.000 1.427 269 I CB -1.197 36.772 38.000 -0.051 0.000 1.149 269 I HN -0.127 nan 8.210 nan 0.000 0.438 270 L N 1.588 122.758 121.223 -0.090 0.000 2.349 270 L HA -0.124 4.218 4.340 0.003 0.000 0.220 270 L C 2.487 179.312 176.870 -0.075 0.000 1.130 270 L CA 1.677 56.462 54.840 -0.092 0.000 0.791 270 L CB -0.867 41.124 42.059 -0.113 0.000 0.918 270 L HN 0.249 nan 8.230 nan 0.000 0.444 271 K N -0.817 119.547 120.400 -0.060 0.000 2.001 271 K HA -0.052 4.270 4.320 0.003 0.000 0.208 271 K C 1.860 178.455 176.600 -0.008 0.000 1.048 271 K CA 1.241 57.505 56.287 -0.039 0.000 0.932 271 K CB -0.204 32.272 32.500 -0.040 0.000 0.715 271 K HN 0.363 nan 8.250 nan 0.000 0.437 272 A N 0.277 123.113 122.820 0.027 0.000 2.238 272 A HA -0.029 4.293 4.320 0.003 0.000 0.208 272 A C 1.523 179.121 177.584 0.024 0.000 1.177 272 A CA 0.966 53.035 52.037 0.053 0.000 0.804 272 A CB -0.467 18.609 19.000 0.126 0.000 0.823 272 A HN 0.410 nan 8.150 nan 0.000 0.482 273 N N 0.238 118.934 118.700 -0.007 0.000 2.278 273 N HA 0.032 4.774 4.740 0.003 0.000 0.181 273 N C 1.153 176.640 175.510 -0.038 0.000 1.023 273 N CA 1.078 54.113 53.050 -0.025 0.000 0.862 273 N CB -0.205 38.252 38.487 -0.049 0.000 1.003 273 N HN 0.421 nan 8.380 nan 0.000 0.431 274 I N -0.362 120.173 120.570 -0.059 0.000 3.646 274 I HA 0.055 4.227 4.170 0.003 0.000 0.301 274 I C 1.400 177.494 176.117 -0.038 0.000 1.276 274 I CA 0.227 61.486 61.300 -0.069 0.000 1.254 274 I CB -0.083 37.848 38.000 -0.114 0.000 1.020 274 I HN 0.105 nan 8.210 nan 0.000 0.473 275 S N 0.280 115.969 115.700 -0.018 0.000 2.605 275 S HA 0.205 4.677 4.470 0.003 0.000 0.217 275 S C 1.333 175.935 174.600 0.004 0.000 0.958 275 S CA 0.187 58.386 58.200 -0.001 0.000 0.919 275 S CB 0.167 63.375 63.200 0.014 0.000 0.780 275 S HN 0.297 nan 8.310 nan 0.000 0.507 276 L N 0.699 121.922 121.223 0.001 0.000 2.588 276 L HA 0.463 4.805 4.340 0.003 0.000 0.194 276 L C 2.033 178.915 176.870 0.020 0.000 1.070 276 L CA 1.058 55.903 54.840 0.009 0.000 0.852 276 L CB -0.584 41.482 42.059 0.011 0.000 1.199 276 L HN 0.171 nan 8.230 nan 0.000 0.486 277 E N -0.673 119.536 120.200 0.015 0.000 2.333 277 E HA -0.108 4.244 4.350 0.003 0.000 0.198 277 E C 0.111 176.735 176.600 0.039 0.000 1.007 277 E CA 1.251 57.673 56.400 0.037 0.000 0.845 277 E CB -0.065 29.623 29.700 -0.021 0.000 0.766 277 E HN 0.371 nan 8.360 nan 0.000 0.507 278 T N 0.538 115.098 114.554 0.010 0.000 3.218 278 T HA 0.315 4.667 4.350 0.003 0.000 0.241 278 T C 0.910 175.615 174.700 0.008 0.000 0.929 278 T CA -0.005 62.100 62.100 0.009 0.000 0.979 278 T CB 0.194 69.058 68.868 -0.007 0.000 1.129 278 T HN 0.044 nan 8.240 nan 0.000 0.559 279 L N -1.106 120.123 121.223 0.011 0.000 2.877 279 L HA 0.278 4.620 4.340 0.003 0.000 0.275 279 L C 2.059 178.916 176.870 -0.022 0.000 1.027 279 L CA 0.132 54.967 54.840 -0.008 0.000 1.135 279 L CB 0.598 42.651 42.059 -0.010 0.000 2.080 279 L HN 0.150 nan 8.230 nan 0.000 0.560 280 E N 0.086 120.285 120.200 -0.002 0.000 2.021 280 E HA -0.074 4.278 4.350 0.003 0.000 0.189 280 E C 1.246 177.786 176.600 -0.100 0.000 0.980 280 E CA 0.831 57.205 56.400 -0.043 0.000 0.803 280 E CB 0.146 29.847 29.700 0.003 0.000 0.766 280 E HN 0.438 nan 8.360 nan 0.000 0.449 281 H N -0.115 118.941 119.070 -0.024 0.000 2.533 281 H HA 0.168 4.726 4.556 0.003 0.000 0.271 281 H C 0.395 175.711 175.328 -0.021 0.000 1.000 281 H CA 0.056 56.092 56.048 -0.021 0.000 1.149 281 H CB 0.287 30.037 29.762 -0.019 0.000 1.375 281 H HN 0.021 nan 8.280 nan 0.000 0.582 282 N N -0.615 118.116 118.700 0.052 0.000 3.061 282 N HA 0.236 4.978 4.740 0.003 0.000 0.346 282 N C 0.041 175.544 175.510 -0.011 0.000 1.392 282 N CA -0.200 52.862 53.050 0.021 0.000 0.762 282 N CB 0.565 39.063 38.487 0.018 0.000 1.367 282 N HN 0.110 nan 8.380 nan 0.000 0.607 283 G N -0.649 108.143 108.800 -0.013 0.000 2.225 283 G HA2 0.393 4.355 3.960 0.003 0.000 0.245 283 G HA3 0.393 4.355 3.960 0.003 0.000 0.245 283 G C -0.730 174.142 174.900 -0.047 0.000 1.249 283 G CA 0.230 45.314 45.100 -0.026 0.000 0.919 283 G HN 0.551 nan 8.290 nan 0.000 0.486 284 A N 5.114 127.887 122.820 -0.079 0.000 2.508 284 A HA 0.661 4.982 4.320 0.003 0.000 0.336 284 A C -2.129 175.339 177.584 -0.193 0.000 1.360 284 A CA -1.247 50.708 52.037 -0.137 0.000 0.841 284 A CB 0.958 19.852 19.000 -0.176 0.000 1.136 284 A HN 0.570 nan 8.150 nan 0.000 0.489 285 P HA 0.337 nan 4.420 nan 0.000 0.297 285 P C 0.592 177.869 177.300 -0.038 0.000 1.342 285 P CA -0.256 62.801 63.100 -0.071 0.000 0.801 285 P CB 0.648 32.343 31.700 -0.007 0.000 0.920 286 H N 1.470 120.576 119.070 0.061 0.000 2.265 286 H HA -0.166 4.392 4.556 0.003 0.000 0.295 286 H C 0.257 175.685 175.328 0.167 0.000 1.084 286 H CA 1.753 57.861 56.048 0.101 0.000 1.261 286 H CB -0.212 29.608 29.762 0.097 0.000 1.360 286 H HN 0.576 nan 8.280 nan 0.000 0.487 287 H N -0.829 118.321 119.070 0.132 0.000 2.591 287 H HA 0.420 4.978 4.556 0.003 0.000 0.302 287 H C 0.253 175.611 175.328 0.049 0.000 1.163 287 H CA 0.357 56.452 56.048 0.078 0.000 1.049 287 H CB 0.209 30.009 29.762 0.063 0.000 1.543 287 H HN 0.365 nan 8.280 nan 0.000 0.523 288 A N -0.409 122.452 122.820 0.067 0.000 2.671 288 A HA 0.191 4.513 4.320 0.003 0.000 0.265 288 A C 1.339 178.924 177.584 0.001 0.000 1.148 288 A CA -0.153 51.900 52.037 0.026 0.000 0.977 288 A CB -0.057 18.965 19.000 0.037 0.000 1.242 288 A HN 0.335 nan 8.150 nan 0.000 0.591 289 I N 0.343 120.907 120.570 -0.010 0.000 2.333 289 I HA -0.107 4.065 4.170 0.003 0.000 0.246 289 I C 2.087 178.190 176.117 -0.023 0.000 1.106 289 I CA 1.412 62.704 61.300 -0.013 0.000 1.411 289 I CB 0.083 38.078 38.000 -0.007 0.000 1.082 289 I HN 0.374 nan 8.210 nan 0.000 0.420 290 E N 0.243 120.408 120.200 -0.059 0.000 2.268 290 E HA -0.246 4.106 4.350 0.003 0.000 0.195 290 E C 1.879 178.459 176.600 -0.034 0.000 0.995 290 E CA 1.062 57.427 56.400 -0.059 0.000 0.836 290 E CB -0.104 29.523 29.700 -0.123 0.000 0.763 290 E HN 0.635 nan 8.360 nan 0.000 0.491 291 E N 0.702 120.883 120.200 -0.031 0.000 2.208 291 E HA -0.088 4.264 4.350 0.003 0.000 0.193 291 E C 1.739 178.337 176.600 -0.003 0.000 0.988 291 E CA 1.034 57.423 56.400 -0.017 0.000 0.828 291 E CB -0.013 29.681 29.700 -0.011 0.000 0.763 291 E HN 0.156 nan 8.360 nan 0.000 0.478 292 A N 0.598 123.421 122.820 0.005 0.000 2.275 292 A HA 0.051 4.373 4.320 0.003 0.000 0.212 292 A C 1.742 179.344 177.584 0.029 0.000 1.201 292 A CA 0.017 52.067 52.037 0.021 0.000 0.843 292 A CB 0.052 19.064 19.000 0.020 0.000 0.873 292 A HN 0.079 nan 8.150 nan 0.000 0.492 293 E N 0.286 120.499 120.200 0.022 0.000 2.060 293 E HA -0.106 4.245 4.350 0.003 0.000 0.189 293 E C 2.441 179.074 176.600 0.055 0.000 0.974 293 E CA 1.401 57.822 56.400 0.035 0.000 0.808 293 E CB -0.453 29.263 29.700 0.026 0.000 0.768 293 E HN 0.667 nan 8.360 nan 0.000 0.453 294 S N 0.942 116.668 115.700 0.043 0.000 2.399 294 S HA -0.145 4.327 4.470 0.003 0.000 0.231 294 S C 2.114 176.750 174.600 0.060 0.000 1.022 294 S CA 0.797 59.028 58.200 0.051 0.000 0.983 294 S CB -0.305 62.894 63.200 -0.001 0.000 0.803 294 S HN 0.091 nan 8.310 nan 0.000 0.480 295 L N 0.763 122.006 121.223 0.033 0.000 1.988 295 L HA 0.126 4.468 4.340 0.003 0.000 0.207 295 L C 2.490 179.412 176.870 0.087 0.000 1.071 295 L CA 1.710 56.569 54.840 0.032 0.000 0.744 295 L CB -0.816 41.285 42.059 0.070 0.000 0.893 295 L HN 0.430 nan 8.230 nan 0.000 0.433 296 L N -0.743 120.545 121.223 0.110 0.000 2.042 296 L HA -0.253 4.089 4.340 0.003 0.000 0.210 296 L C 2.543 179.479 176.870 0.111 0.000 1.076 296 L CA 2.111 57.023 54.840 0.118 0.000 0.749 296 L CB -0.640 41.464 42.059 0.075 0.000 0.893 296 L HN 0.514 nan 8.230 nan 0.000 0.432 297 Q N -0.924 118.944 119.800 0.114 0.000 2.050 297 Q HA -0.288 4.054 4.340 0.003 0.000 0.202 297 Q C 2.135 178.223 176.000 0.146 0.000 0.980 297 Q CA 2.411 58.298 55.803 0.140 0.000 0.840 297 Q CB -0.769 28.077 28.738 0.180 0.000 0.898 297 Q HN 0.525 nan 8.270 nan 0.000 0.424 298 F N 0.314 120.243 119.950 -0.035 0.000 2.161 298 F HA -0.164 4.365 4.527 0.003 0.000 0.300 298 F C 1.608 177.363 175.800 -0.076 0.000 1.089 298 F CA 2.182 60.123 58.000 -0.098 0.000 1.282 298 F CB -0.358 38.511 39.000 -0.219 0.000 1.010 298 F HN 0.302 nan 8.300 nan 0.000 0.485 299 H N -1.701 117.343 119.070 -0.043 0.000 2.529 299 H HA -0.015 4.543 4.556 0.003 0.000 0.277 299 H C 2.242 177.533 175.328 -0.061 0.000 0.999 299 H CA 0.827 56.797 56.048 -0.131 0.000 1.256 299 H CB 0.049 29.813 29.762 0.002 0.000 1.402 299 H HN 0.184 nan 8.280 nan 0.000 0.566 300 V N 0.528 120.489 119.914 0.079 0.000 2.453 300 V HA -0.190 3.932 4.120 0.003 0.000 0.247 300 V C 2.464 178.593 176.094 0.058 0.000 1.048 300 V CA 1.421 63.780 62.300 0.099 0.000 1.049 300 V CB -0.558 31.309 31.823 0.074 0.000 0.672 300 V HN 0.554 nan 8.190 nan 0.000 0.457 301 A N -0.324 122.480 122.820 -0.026 0.000 1.845 301 A HA -0.235 4.087 4.320 0.003 0.000 0.215 301 A C 2.390 179.895 177.584 -0.133 0.000 1.195 301 A CA 2.588 54.584 52.037 -0.068 0.000 0.616 301 A CB -1.234 17.732 19.000 -0.057 0.000 0.832 301 A HN 0.441 nan 8.150 nan 0.000 0.443 302 T N -1.172 113.193 114.554 -0.315 0.000 2.592 302 T HA -0.286 4.066 4.350 0.003 0.000 0.267 302 T C 1.748 176.419 174.700 -0.048 0.000 1.060 302 T CA 2.191 64.139 62.100 -0.253 0.000 1.167 302 T CB -0.605 68.042 68.868 -0.369 0.000 0.863 302 T HN 0.611 nan 8.240 nan 0.000 0.431 303 Y N 0.058 120.305 120.300 -0.089 0.000 2.556 303 Y HA 0.041 4.593 4.550 0.003 0.000 0.290 303 Y C 1.973 177.864 175.900 -0.016 0.000 1.149 303 Y CA 0.963 59.041 58.100 -0.035 0.000 1.329 303 Y CB -0.196 38.252 38.460 -0.019 0.000 0.975 303 Y HN 0.208 nan 8.280 nan 0.000 0.561 304 M N -0.991 118.511 119.600 -0.164 0.000 2.296 304 M HA 0.190 4.672 4.480 0.003 0.000 0.291 304 M C -0.986 175.285 176.300 -0.048 0.000 1.013 304 M CA 0.147 55.341 55.300 -0.178 0.000 1.089 304 M CB 0.918 33.455 32.600 -0.106 0.000 1.677 304 M HN 0.127 nan 8.290 nan 0.000 0.584 305 D N 0.080 120.452 120.400 -0.046 0.000 2.728 305 D HA 0.245 4.887 4.640 0.003 0.000 0.249 305 D C -1.760 174.518 176.300 -0.037 0.000 1.225 305 D CA -0.427 53.560 54.000 -0.020 0.000 0.748 305 D CB 0.962 41.779 40.800 0.030 0.000 1.326 305 D HN 0.332 nan 8.370 nan 0.000 0.426 306 N N 1.013 119.700 118.700 -0.022 0.000 3.091 306 N HA 0.200 4.942 4.740 0.003 0.000 0.185 306 N C -1.511 174.006 175.510 0.011 0.000 1.398 306 N CA -0.533 52.513 53.050 -0.006 0.000 0.938 306 N CB 0.692 39.167 38.487 -0.021 0.000 1.605 306 N HN 0.118 nan 8.380 nan 0.000 0.597 307 D N 1.488 121.895 120.400 0.011 0.000 2.673 307 D HA 0.216 4.858 4.640 0.003 0.000 0.278 307 D C 0.610 176.922 176.300 0.019 0.000 1.393 307 D CA -0.168 53.840 54.000 0.012 0.000 0.805 307 D CB 0.983 41.781 40.800 -0.003 0.000 1.110 307 D HN 0.358 nan 8.370 nan 0.000 0.476 308 I N 0.913 121.502 120.570 0.032 0.000 3.080 308 I HA 0.167 4.339 4.170 0.003 0.000 0.213 308 I C 1.052 177.191 176.117 0.037 0.000 1.298 308 I CA -0.550 60.771 61.300 0.034 0.000 0.726 308 I CB 0.205 38.233 38.000 0.047 0.000 1.751 308 I HN -0.147 nan 8.210 nan 0.000 0.957 309 A N 0.080 122.921 122.820 0.036 0.000 2.260 309 A HA 0.736 5.057 4.320 0.003 0.000 0.314 309 A C 0.273 177.883 177.584 0.043 0.000 1.257 309 A CA 0.407 52.463 52.037 0.032 0.000 0.871 309 A CB -0.178 18.834 19.000 0.020 0.000 1.166 309 A HN 1.039 nan 8.150 nan 0.000 0.522 310 G N 1.574 110.399 108.800 0.042 0.000 2.272 310 G HA2 0.130 4.092 3.960 0.003 0.000 0.068 310 G HA3 0.130 4.092 3.960 0.003 0.000 0.068 310 G C -0.924 174.005 174.900 0.047 0.000 1.073 310 G CA -0.607 44.517 45.100 0.040 0.000 1.154 310 G HN 0.782 nan 8.290 nan 0.000 0.429 311 Q N 1.374 121.223 119.800 0.083 0.000 2.322 311 Q HA 0.496 4.838 4.340 0.003 0.000 0.265 311 Q C -1.766 174.347 176.000 0.188 0.000 0.985 311 Q CA -1.761 54.099 55.803 0.096 0.000 0.849 311 Q CB 2.700 31.448 28.738 0.018 0.000 1.274 311 Q HN 0.302 nan 8.270 nan 0.000 0.449 312 P HA -0.074 nan 4.420 nan 0.000 0.197 312 P C -0.287 177.112 177.300 0.166 0.000 1.076 312 P CA 0.599 63.772 63.100 0.121 0.000 0.876 312 P CB 0.355 32.098 31.700 0.072 0.000 0.705 313 Q N -4.488 115.393 119.800 0.134 0.000 2.850 313 Q HA 0.515 4.857 4.340 0.003 0.000 0.325 313 Q C -1.339 174.722 176.000 0.101 0.000 0.743 313 Q CA -0.019 55.876 55.803 0.153 0.000 1.032 313 Q CB -0.470 28.369 28.738 0.169 0.000 1.280 313 Q HN 0.193 nan 8.270 nan 0.000 0.480 314 A N -0.732 122.145 122.820 0.095 0.000 3.117 314 A HA 0.626 4.948 4.320 0.003 0.000 0.158 314 A C -0.827 176.781 177.584 0.040 0.000 1.138 314 A CA -0.226 51.849 52.037 0.063 0.000 2.059 314 A CB -0.783 18.259 19.000 0.070 0.000 2.607 314 A HN 0.283 nan 8.150 nan 0.000 1.059 315 L N -0.534 120.716 121.223 0.045 0.000 2.226 315 L HA 0.307 4.649 4.340 0.003 0.000 0.218 315 L C 1.484 178.377 176.870 0.039 0.000 1.162 315 L CA 1.509 56.361 54.840 0.021 0.000 2.417 315 L CB -0.684 41.401 42.059 0.045 0.000 2.139 315 L HN 0.688 nan 8.230 nan 0.000 1.037 316 Q N -0.263 119.649 119.800 0.186 0.000 2.465 316 Q HA 0.278 4.620 4.340 0.003 0.000 0.361 316 Q C -0.776 175.440 176.000 0.359 0.000 0.957 316 Q CA 0.385 56.319 55.803 0.218 0.000 1.065 316 Q CB -0.035 28.808 28.738 0.174 0.000 1.274 316 Q HN 0.296 nan 8.270 nan 0.000 0.421 317 K N -1.397 119.144 120.400 0.235 0.000 3.315 317 K HA 0.070 4.392 4.320 0.003 0.000 0.118 317 K C -0.400 176.153 176.600 -0.080 0.000 0.918 317 K CA 0.671 57.084 56.287 0.211 0.000 0.998 317 K CB -0.004 32.828 32.500 0.554 0.000 0.629 317 K HN 0.351 nan 8.250 nan 0.000 0.354 318 S N -2.620 112.986 115.700 -0.156 0.000 4.403 318 S HA 0.532 5.004 4.470 0.003 0.000 0.183 318 S C 1.197 175.751 174.600 -0.077 0.000 1.070 318 S CA 0.441 58.541 58.200 -0.168 0.000 1.145 318 S CB 1.291 64.305 63.200 -0.309 0.000 1.585 318 S HN 0.312 nan 8.310 nan 0.000 0.634 319 G N 1.113 109.873 108.800 -0.066 0.000 3.330 319 G HA2 0.013 3.975 3.960 0.003 0.000 0.197 319 G HA3 0.013 3.975 3.960 0.003 0.000 0.197 319 G C -0.406 174.482 174.900 -0.019 0.000 1.284 319 G CA -0.515 44.569 45.100 -0.026 0.000 0.921 319 G HN 0.524 nan 8.290 nan 0.000 0.466 320 R N 1.527 122.008 120.500 -0.031 0.000 2.476 320 R HA 0.690 5.032 4.340 0.003 0.000 0.305 320 R C -1.505 174.780 176.300 -0.025 0.000 0.965 320 R CA -1.088 55.001 56.100 -0.019 0.000 0.867 320 R CB 2.132 32.422 30.300 -0.016 0.000 1.176 320 R HN 0.361 nan 8.270 nan 0.000 0.447 321 P HA 0.285 nan 4.420 nan 0.000 0.191 321 P C -0.630 176.675 177.300 0.009 0.000 1.065 321 P CA 0.298 63.400 63.100 0.003 0.000 0.904 321 P CB 0.536 32.242 31.700 0.009 0.000 0.741 322 V N -1.650 118.269 119.914 0.008 0.000 3.160 322 V HA 0.540 4.662 4.120 0.003 0.000 0.310 322 V C 0.358 176.449 176.094 -0.005 0.000 1.181 322 V CA -0.797 61.508 62.300 0.009 0.000 1.047 322 V CB 2.168 34.006 31.823 0.025 0.000 1.068 322 V HN 0.096 nan 8.190 nan 0.000 0.441 323 K N -0.109 120.289 120.400 -0.004 0.000 2.474 323 K HA 0.378 4.700 4.320 0.003 0.000 0.204 323 K C 0.997 177.582 176.600 -0.025 0.000 1.220 323 K CA 0.780 57.059 56.287 -0.013 0.000 0.966 323 K CB 0.652 33.149 32.500 -0.004 0.000 1.049 323 K HN 0.959 nan 8.250 nan 0.000 0.554 324 S N 0.172 115.855 115.700 -0.030 0.000 3.186 324 S HA -0.258 4.214 4.470 0.003 0.000 0.249 324 S C 0.736 175.259 174.600 -0.127 0.000 1.453 324 S CA 1.819 59.981 58.200 -0.063 0.000 3.213 324 S CB -1.030 62.137 63.200 -0.055 0.000 0.764 324 S HN 0.448 nan 8.310 nan 0.000 0.474 325 I N -0.624 119.874 120.570 -0.121 0.000 2.771 325 I HA -0.222 3.950 4.170 0.003 0.000 0.253 325 I C 1.297 177.340 176.117 -0.123 0.000 0.556 325 I CA 1.866 63.069 61.300 -0.161 0.000 0.705 325 I CB -1.501 36.288 38.000 -0.353 0.000 4.046 325 I HN 0.685 nan 8.210 nan 0.000 0.954 326 R N 1.743 122.178 120.500 -0.109 0.000 2.052 326 R HA 0.177 4.519 4.340 0.003 0.000 0.224 326 R C 2.025 178.268 176.300 -0.095 0.000 1.149 326 R CA 1.493 57.528 56.100 -0.109 0.000 0.962 326 R CB -0.157 30.093 30.300 -0.084 0.000 0.856 326 R HN 0.303 nan 8.270 nan 0.000 0.433 327 A N 0.933 123.708 122.820 -0.074 0.000 2.248 327 A HA -0.037 4.285 4.320 0.003 0.000 0.210 327 A C 1.805 179.355 177.584 -0.057 0.000 1.174 327 A CA 0.615 52.614 52.037 -0.063 0.000 0.750 327 A CB -0.375 18.596 19.000 -0.049 0.000 0.780 327 A HN 0.333 nan 8.150 nan 0.000 0.478 328 R N -1.202 119.262 120.500 -0.061 0.000 2.200 328 R HA 0.127 4.469 4.340 0.003 0.000 0.208 328 R C 0.792 177.060 176.300 -0.052 0.000 1.033 328 R CA 0.478 56.548 56.100 -0.050 0.000 1.000 328 R CB 0.031 30.305 30.300 -0.045 0.000 0.906 328 R HN 0.355 nan 8.270 nan 0.000 0.462 329 L N 0.363 121.543 121.223 -0.071 0.000 2.664 329 L HA 0.166 4.507 4.340 0.003 0.000 0.233 329 L C 0.676 177.494 176.870 -0.086 0.000 1.113 329 L CA 0.455 55.249 54.840 -0.077 0.000 0.896 329 L CB -0.278 41.720 42.059 -0.102 0.000 1.163 329 L HN -0.035 nan 8.230 nan 0.000 0.497 330 K N 1.369 121.718 120.400 -0.086 0.000 2.401 330 K HA 0.168 4.490 4.320 0.003 0.000 0.278 330 K C 0.357 176.911 176.600 -0.078 0.000 1.018 330 K CA -0.016 56.217 56.287 -0.090 0.000 0.981 330 K CB 1.026 33.477 32.500 -0.083 0.000 0.933 330 K HN 0.153 nan 8.250 nan 0.000 0.477 331 G N 2.953 111.700 108.800 -0.088 0.000 2.321 331 G HA2 -0.015 3.947 3.960 0.003 0.000 0.237 331 G HA3 -0.015 3.947 3.960 0.003 0.000 0.237 331 G C -0.471 174.388 174.900 -0.068 0.000 1.282 331 G CA 0.214 45.266 45.100 -0.080 0.000 0.886 331 G HN 0.784 nan 8.290 nan 0.000 0.528 332 K N 1.320 121.690 120.400 -0.050 0.000 6.984 332 K HA -0.199 4.123 4.320 0.003 0.000 0.664 332 K C 0.867 177.445 176.600 -0.036 0.000 2.558 332 K CA 0.977 57.240 56.287 -0.039 0.000 1.934 332 K CB -0.315 32.158 32.500 -0.045 0.000 2.338 332 K HN 0.850 nan 8.250 nan 0.000 0.216 333 E N -1.575 118.609 120.200 -0.027 0.000 3.449 333 E HA -0.261 4.091 4.350 0.003 0.000 0.289 333 E C 0.649 177.232 176.600 -0.028 0.000 0.870 333 E CA 1.975 58.360 56.400 -0.025 0.000 0.946 333 E CB -1.600 28.084 29.700 -0.027 0.000 1.476 333 E HN 0.731 nan 8.360 nan 0.000 0.466 334 G N -0.281 108.499 108.800 -0.033 0.000 2.557 334 G HA2 0.363 4.325 3.960 0.003 0.000 0.302 334 G HA3 0.363 4.325 3.960 0.003 0.000 0.302 334 G C 0.739 175.622 174.900 -0.028 0.000 1.311 334 G CA 0.129 45.207 45.100 -0.036 0.000 1.030 334 G HN 0.022 nan 8.290 nan 0.000 0.509 335 R N -0.590 119.893 120.500 -0.029 0.000 2.092 335 R HA 0.019 4.361 4.340 0.003 0.000 0.226 335 R C 2.542 178.833 176.300 -0.014 0.000 1.140 335 R CA 1.538 57.627 56.100 -0.018 0.000 0.910 335 R CB -1.045 29.245 30.300 -0.017 0.000 0.822 335 R HN 0.529 nan 8.270 nan 0.000 0.433 336 I N 0.313 120.873 120.570 -0.017 0.000 2.127 336 I HA -0.311 3.861 4.170 0.003 0.000 0.241 336 I C 2.797 178.911 176.117 -0.005 0.000 1.075 336 I CA 1.619 62.914 61.300 -0.008 0.000 1.334 336 I CB -0.256 37.736 38.000 -0.013 0.000 1.040 336 I HN 0.210 nan 8.210 nan 0.000 0.405 337 R N 0.245 120.737 120.500 -0.013 0.000 2.075 337 R HA -0.053 4.289 4.340 0.003 0.000 0.226 337 R C 2.132 178.428 176.300 -0.006 0.000 1.114 337 R CA 1.492 57.588 56.100 -0.008 0.000 0.972 337 R CB -0.428 29.860 30.300 -0.021 0.000 0.869 337 R HN 0.456 nan 8.270 nan 0.000 0.437 338 G N -0.269 108.524 108.800 -0.012 0.000 2.539 338 G HA2 -0.108 3.854 3.960 0.003 0.000 0.215 338 G HA3 -0.108 3.854 3.960 0.003 0.000 0.215 338 G C 1.204 176.100 174.900 -0.005 0.000 1.141 338 G CA 0.003 45.097 45.100 -0.009 0.000 0.806 338 G HN 0.247 nan 8.290 nan 0.000 0.533 339 N N -0.507 118.190 118.700 -0.005 0.000 2.482 339 N HA 0.146 4.888 4.740 0.003 0.000 0.179 339 N C 1.793 177.304 175.510 0.001 0.000 1.039 339 N CA 0.286 53.334 53.050 -0.003 0.000 0.884 339 N CB 0.517 39.001 38.487 -0.005 0.000 1.113 339 N HN 0.171 nan 8.380 nan 0.000 0.440 340 L N 0.351 121.576 121.223 0.003 0.000 2.349 340 L HA 0.271 4.613 4.340 0.003 0.000 0.200 340 L C 2.069 178.943 176.870 0.007 0.000 1.064 340 L CA 0.519 55.363 54.840 0.006 0.000 0.821 340 L CB -0.022 42.043 42.059 0.010 0.000 1.027 340 L HN -0.007 nan 8.230 nan 0.000 0.476 341 M N -0.943 118.661 119.600 0.008 0.000 2.595 341 M HA 0.215 4.697 4.480 0.003 0.000 0.248 341 M C 0.167 176.469 176.300 0.005 0.000 1.119 341 M CA 0.359 55.665 55.300 0.009 0.000 1.079 341 M CB -0.017 32.593 32.600 0.017 0.000 1.472 341 M HN 0.262 nan 8.290 nan 0.000 0.501 342 G N 1.267 110.069 108.800 0.003 0.000 2.267 342 G HA2 0.375 4.337 3.960 0.003 0.000 0.285 342 G HA3 0.375 4.337 3.960 0.003 0.000 0.285 342 G C -1.193 173.710 174.900 0.004 0.000 1.323 342 G CA -0.715 44.386 45.100 0.001 0.000 1.306 342 G HN 0.093 nan 8.290 nan 0.000 0.617 343 K N 1.356 121.759 120.400 0.005 0.000 2.118 343 K HA 0.534 4.856 4.320 0.003 0.000 0.254 343 K C 0.477 177.088 176.600 0.017 0.000 0.961 343 K CA -0.898 55.394 56.287 0.008 0.000 0.876 343 K CB 2.272 34.777 32.500 0.008 0.000 1.077 343 K HN 0.439 nan 8.250 nan 0.000 0.440 344 R N 0.934 121.443 120.500 0.016 0.000 2.734 344 R HA 0.160 4.502 4.340 0.003 0.000 0.266 344 R C -0.405 175.911 176.300 0.028 0.000 1.044 344 R CA -0.025 56.090 56.100 0.024 0.000 1.128 344 R CB 0.410 30.717 30.300 0.010 0.000 1.010 344 R HN 0.527 nan 8.270 nan 0.000 0.461 345 V N -1.257 118.685 119.914 0.046 0.000 3.216 345 V HA 0.439 4.561 4.120 0.003 0.000 0.302 345 V C -0.904 175.209 176.094 0.031 0.000 1.286 345 V CA -1.196 61.134 62.300 0.050 0.000 1.048 345 V CB 2.143 34.025 31.823 0.099 0.000 1.081 345 V HN 0.691 nan 8.190 nan 0.000 0.442 346 D N 0.413 120.800 120.400 -0.022 0.000 2.478 346 D HA 0.467 5.109 4.640 0.003 0.000 0.274 346 D C 0.000 176.279 176.300 -0.036 0.000 1.234 346 D CA 0.103 53.984 54.000 -0.198 0.000 1.069 346 D CB 0.285 40.752 40.800 -0.556 0.000 1.113 346 D HN 0.737 nan 8.370 nan 0.000 0.571 347 F N -0.093 119.888 119.950 0.052 0.000 2.635 347 F HA -0.252 4.276 4.527 0.002 0.000 0.228 347 F C 0.456 176.309 175.800 0.088 0.000 1.029 347 F CA 0.043 58.084 58.000 0.068 0.000 0.907 347 F CB -1.675 37.370 39.000 0.075 0.000 0.893 347 F HN 0.171 nan 8.300 nan 0.000 0.845 348 S N -0.097 115.690 115.700 0.145 0.000 2.570 348 S HA 0.996 5.468 4.470 0.003 0.000 0.270 348 S C -0.698 173.921 174.600 0.031 0.000 1.149 348 S CA -0.293 57.923 58.200 0.026 0.000 0.837 348 S CB 2.481 65.661 63.200 -0.034 0.000 1.124 348 S HN 1.444 nan 8.310 nan 0.000 0.465 349 A N 0.733 123.571 122.820 0.028 0.000 2.581 349 A HA 0.985 5.307 4.320 0.003 0.000 0.290 349 A C -1.016 176.693 177.584 0.208 0.000 1.119 349 A CA -0.897 51.215 52.037 0.126 0.000 0.670 349 A CB 1.665 20.779 19.000 0.189 0.000 1.280 349 A HN 1.643 nan 8.150 nan 0.000 0.425 350 R N -0.334 120.341 120.500 0.293 0.000 2.647 350 R HA 0.682 5.024 4.340 0.003 0.000 0.260 350 R C -1.490 174.990 176.300 0.299 0.000 1.154 350 R CA 0.562 56.845 56.100 0.305 0.000 1.029 350 R CB 1.251 31.614 30.300 0.105 0.000 1.262 350 R HN 1.003 nan 8.270 nan 0.000 0.437 351 T N 1.832 116.643 114.554 0.429 0.000 2.749 351 T HA 0.304 4.656 4.350 0.003 0.000 0.310 351 T C -1.079 173.785 174.700 0.272 0.000 1.496 351 T CA -0.522 61.726 62.100 0.247 0.000 1.006 351 T CB 1.391 70.276 68.868 0.028 0.000 1.457 351 T HN 0.357 nan 8.240 nan 0.000 0.497 352 V N 2.481 122.486 119.914 0.152 0.000 2.788 352 V HA 0.217 4.339 4.120 0.003 0.000 0.307 352 V C 0.478 176.698 176.094 0.210 0.000 1.069 352 V CA 0.168 62.554 62.300 0.144 0.000 1.173 352 V CB -0.319 31.558 31.823 0.091 0.000 0.925 352 V HN 0.672 nan 8.190 nan 0.000 0.492 353 I N 2.231 122.938 120.570 0.228 0.000 2.607 353 I HA 0.912 5.084 4.170 0.003 0.000 0.305 353 I C 0.075 176.361 176.117 0.282 0.000 0.995 353 I CA -0.276 61.198 61.300 0.290 0.000 1.148 353 I CB 2.162 40.358 38.000 0.328 0.000 1.323 353 I HN 0.655 nan 8.210 nan 0.000 0.461 354 S N 2.433 118.181 115.700 0.079 0.000 2.661 354 S HA 0.810 5.282 4.470 0.003 0.000 0.285 354 S C -0.199 173.822 174.600 -0.965 0.000 1.138 354 S CA -0.665 57.339 58.200 -0.327 0.000 0.855 354 S CB 1.135 64.212 63.200 -0.206 0.000 1.136 354 S HN 1.094 nan 8.310 nan 0.000 0.484 355 G N -0.304 107.598 108.800 -1.496 0.000 2.415 355 G HA2 0.505 4.467 3.960 0.003 0.000 0.269 355 G HA3 0.505 4.467 3.960 0.003 0.000 0.269 355 G C -1.267 173.338 174.900 -0.493 0.000 1.209 355 G CA -0.164 44.166 45.100 -1.283 0.000 0.835 355 G HN 0.643 nan 8.290 nan 0.000 0.534 356 D N 1.601 121.833 120.400 -0.280 0.000 2.328 356 D HA 0.277 4.919 4.640 0.003 0.000 0.243 356 D C -1.979 174.286 176.300 -0.058 0.000 1.324 356 D CA -1.501 52.415 54.000 -0.141 0.000 0.966 356 D CB 2.082 42.816 40.800 -0.109 0.000 1.324 356 D HN 0.132 nan 8.370 nan 0.000 0.549 357 P HA 0.193 nan 4.420 nan 0.000 0.255 357 P C -0.320 176.983 177.300 0.005 0.000 1.427 357 P CA 0.065 63.158 63.100 -0.012 0.000 0.863 357 P CB 0.194 31.878 31.700 -0.026 0.000 1.444 358 N N -0.468 118.247 118.700 0.024 0.000 2.390 358 N HA 0.181 4.922 4.740 0.003 0.000 0.259 358 N C -0.064 175.485 175.510 0.065 0.000 1.395 358 N CA -0.153 52.941 53.050 0.073 0.000 0.852 358 N CB 1.041 39.604 38.487 0.126 0.000 1.371 358 N HN 0.188 nan 8.380 nan 0.000 0.491 359 L N 0.665 121.913 121.223 0.042 0.000 2.387 359 L HA 0.362 4.704 4.340 0.003 0.000 0.266 359 L C 0.713 177.619 176.870 0.060 0.000 1.059 359 L CA -0.562 54.303 54.840 0.041 0.000 0.801 359 L CB 1.246 43.316 42.059 0.018 0.000 1.223 359 L HN -0.090 nan 8.230 nan 0.000 0.456 360 E N 0.593 120.830 120.200 0.062 0.000 2.349 360 E HA 0.050 4.402 4.350 0.003 0.000 0.262 360 E C 0.607 177.251 176.600 0.073 0.000 1.088 360 E CA -0.335 56.109 56.400 0.073 0.000 0.899 360 E CB 1.384 31.125 29.700 0.068 0.000 1.044 360 E HN 0.369 nan 8.360 nan 0.000 0.420 361 L N 2.240 123.501 121.223 0.064 0.000 2.046 361 L HA -0.207 4.135 4.340 0.003 0.000 0.208 361 L C 1.307 178.214 176.870 0.061 0.000 1.077 361 L CA 2.089 56.938 54.840 0.014 0.000 0.747 361 L CB -0.302 41.705 42.059 -0.086 0.000 0.896 361 L HN 0.474 nan 8.230 nan 0.000 0.432 362 D N -1.924 118.507 120.400 0.052 0.000 2.347 362 D HA -0.078 4.564 4.640 0.003 0.000 0.213 362 D C 0.808 177.252 176.300 0.241 0.000 0.985 362 D CA 0.150 54.171 54.000 0.035 0.000 0.879 362 D CB -0.404 40.379 40.800 -0.029 0.000 0.919 362 D HN 0.436 nan 8.370 nan 0.000 0.526 363 Q N 0.110 120.013 119.800 0.171 0.000 2.394 363 Q HA 0.344 4.686 4.340 0.003 0.000 0.248 363 Q C -0.886 175.140 176.000 0.043 0.000 0.992 363 Q CA -0.272 55.601 55.803 0.117 0.000 0.888 363 Q CB 2.420 31.189 28.738 0.052 0.000 1.257 363 Q HN 0.007 nan 8.270 nan 0.000 0.462 364 V N 2.138 121.995 119.914 -0.095 0.000 2.340 364 V HA 0.401 4.522 4.120 0.003 0.000 0.277 364 V C -0.227 175.760 176.094 -0.178 0.000 1.017 364 V CA -0.369 61.728 62.300 -0.338 0.000 0.820 364 V CB 1.031 32.463 31.823 -0.652 0.000 1.028 364 V HN 0.858 nan 8.190 nan 0.000 0.436 365 G N 6.225 114.952 108.800 -0.121 0.000 2.305 365 G HA2 0.344 4.306 3.960 0.003 0.000 0.281 365 G HA3 0.344 4.306 3.960 0.003 0.000 0.281 365 G C -0.263 174.624 174.900 -0.022 0.000 1.085 365 G CA 0.092 45.156 45.100 -0.060 0.000 1.211 365 G HN 0.706 nan 8.290 nan 0.000 0.421 366 V N 6.206 126.097 119.914 -0.038 0.000 2.427 366 V HA 0.271 4.393 4.120 0.003 0.000 0.286 366 V C -1.830 174.171 176.094 -0.156 0.000 1.034 366 V CA -1.714 60.548 62.300 -0.064 0.000 0.893 366 V CB 2.121 33.948 31.823 0.006 0.000 0.982 366 V HN 0.516 nan 8.190 nan 0.000 0.452 367 P HA 0.175 nan 4.420 nan 0.000 0.269 367 P C 0.568 177.762 177.300 -0.177 0.000 1.209 367 P CA -0.263 62.714 63.100 -0.205 0.000 0.776 367 P CB 0.840 32.392 31.700 -0.248 0.000 0.876 368 K N 2.121 122.420 120.400 -0.169 0.000 2.015 368 K HA -0.254 4.068 4.320 0.003 0.000 0.216 368 K C 2.128 178.656 176.600 -0.119 0.000 1.052 368 K CA 2.509 58.688 56.287 -0.180 0.000 0.937 368 K CB -0.826 31.567 32.500 -0.178 0.000 0.719 368 K HN 0.473 nan 8.250 nan 0.000 0.446 369 S N 0.435 116.068 115.700 -0.111 0.000 2.401 369 S HA -0.259 4.213 4.470 0.003 0.000 0.236 369 S C 1.909 176.475 174.600 -0.056 0.000 1.058 369 S CA 2.227 60.378 58.200 -0.081 0.000 1.151 369 S CB -0.562 62.585 63.200 -0.088 0.000 1.049 369 S HN 0.361 nan 8.310 nan 0.000 0.432 370 I N 1.911 122.429 120.570 -0.087 0.000 2.286 370 I HA -0.152 4.020 4.170 0.003 0.000 0.248 370 I C 2.910 179.043 176.117 0.026 0.000 1.115 370 I CA 1.121 62.392 61.300 -0.049 0.000 1.392 370 I CB -0.612 37.306 38.000 -0.138 0.000 1.065 370 I HN 0.492 nan 8.210 nan 0.000 0.418 371 A N 0.701 123.527 122.820 0.010 0.000 1.972 371 A HA -0.215 4.107 4.320 0.003 0.000 0.219 371 A C 2.266 179.931 177.584 0.135 0.000 1.169 371 A CA 1.536 53.628 52.037 0.091 0.000 0.635 371 A CB -0.424 18.604 19.000 0.046 0.000 0.810 371 A HN 0.339 nan 8.150 nan 0.000 0.446 372 K N -0.909 119.509 120.400 0.031 0.000 2.362 372 K HA -0.046 4.276 4.320 0.003 0.000 0.200 372 K C 1.602 178.313 176.600 0.185 0.000 1.046 372 K CA 1.528 57.758 56.287 -0.095 0.000 0.952 372 K CB -0.063 32.372 32.500 -0.108 0.000 0.753 372 K HN 0.554 nan 8.250 nan 0.000 0.466 373 T N 0.780 115.434 114.554 0.166 0.000 2.988 373 T HA 0.132 4.484 4.350 0.003 0.000 0.240 373 T C 0.707 175.528 174.700 0.203 0.000 1.014 373 T CA -0.000 62.202 62.100 0.170 0.000 1.155 373 T CB 0.048 68.974 68.868 0.096 0.000 0.872 373 T HN -0.047 nan 8.240 nan 0.000 0.440 374 L N 1.689 123.035 121.223 0.205 0.000 2.461 374 L HA 0.407 4.749 4.340 0.003 0.000 0.272 374 L C 0.419 177.433 176.870 0.240 0.000 1.197 374 L CA 0.025 55.015 54.840 0.251 0.000 0.836 374 L CB 0.274 42.473 42.059 0.233 0.000 1.105 374 L HN 0.075 nan 8.230 nan 0.000 0.477 375 T N 1.046 115.742 114.554 0.235 0.000 2.921 375 T HA 0.389 4.741 4.350 0.003 0.000 0.297 375 T C -1.454 173.232 174.700 -0.023 0.000 1.013 375 T CA -0.413 61.750 62.100 0.106 0.000 0.990 375 T CB 0.613 69.526 68.868 0.074 0.000 1.023 375 T HN 0.376 nan 8.240 nan 0.000 0.447 376 Y N 7.474 127.713 120.300 -0.102 0.000 2.331 376 Y HA 0.582 5.134 4.550 0.003 0.000 0.338 376 Y C -2.411 173.418 175.900 -0.117 0.000 0.992 376 Y CA -2.645 55.365 58.100 -0.150 0.000 1.121 376 Y CB 1.676 40.087 38.460 -0.082 0.000 1.184 376 Y HN 0.362 nan 8.280 nan 0.000 0.469 377 P HA 0.068 nan 4.420 nan 0.000 0.274 377 P C -0.894 175.858 177.300 -0.914 0.000 1.291 377 P CA 0.275 62.970 63.100 -0.674 0.000 0.815 377 P CB 0.896 32.296 31.700 -0.500 0.000 0.897 378 E N 2.558 122.526 120.200 -0.386 0.000 2.222 378 E HA 0.422 4.774 4.350 0.003 0.000 0.267 378 E C -0.617 175.976 176.600 -0.011 0.000 0.963 378 E CA -1.024 55.331 56.400 -0.075 0.000 0.837 378 E CB 1.466 31.262 29.700 0.161 0.000 1.183 378 E HN 0.111 nan 8.360 nan 0.000 0.403 379 V N 1.593 121.547 119.914 0.066 0.000 2.966 379 V HA 0.292 4.414 4.120 0.003 0.000 0.317 379 V C -0.217 175.951 176.094 0.123 0.000 1.070 379 V CA -0.995 61.363 62.300 0.096 0.000 1.008 379 V CB 1.659 33.547 31.823 0.108 0.000 1.070 379 V HN 0.473 nan 8.190 nan 0.000 0.457 380 V N 2.222 122.215 119.914 0.132 0.000 2.372 380 V HA 0.399 4.521 4.120 0.003 0.000 0.261 380 V C 0.207 176.414 176.094 0.188 0.000 1.055 380 V CA 0.349 62.703 62.300 0.091 0.000 0.930 380 V CB 0.433 32.247 31.823 -0.015 0.000 1.031 380 V HN 1.089 nan 8.190 nan 0.000 0.479 381 T N 7.697 122.386 114.554 0.225 0.000 2.900 381 T HA 0.380 4.732 4.350 0.003 0.000 0.295 381 T C -1.891 172.967 174.700 0.265 0.000 1.044 381 T CA -1.235 61.046 62.100 0.302 0.000 0.995 381 T CB 2.307 71.362 68.868 0.311 0.000 1.072 381 T HN 0.307 nan 8.240 nan 0.000 0.473 382 P HA -0.135 nan 4.420 nan 0.000 0.220 382 P C 0.697 177.930 177.300 -0.111 0.000 1.144 382 P CA 1.325 64.440 63.100 0.025 0.000 0.800 382 P CB -0.136 31.348 31.700 -0.360 0.000 0.772 383 Y N 0.838 121.197 120.300 0.099 0.000 2.632 383 Y HA -0.066 4.486 4.550 0.003 0.000 0.301 383 Y C 1.781 177.720 175.900 0.065 0.000 1.172 383 Y CA 0.879 59.019 58.100 0.066 0.000 1.328 383 Y CB -0.918 37.573 38.460 0.052 0.000 1.016 383 Y HN 0.240 nan 8.280 nan 0.000 0.529 384 N N -1.795 117.011 118.700 0.176 0.000 2.113 384 N HA -0.029 4.713 4.740 0.003 0.000 0.236 384 N C 0.938 176.490 175.510 0.070 0.000 1.263 384 N CA 0.501 53.626 53.050 0.125 0.000 0.831 384 N CB -1.001 37.569 38.487 0.138 0.000 1.259 384 N HN 0.087 nan 8.380 nan 0.000 0.469 385 I N 1.331 121.928 120.570 0.045 0.000 2.188 385 I HA -0.387 3.785 4.170 0.003 0.000 0.246 385 I C 1.349 177.457 176.117 -0.014 0.000 1.033 385 I CA 1.976 63.261 61.300 -0.024 0.000 1.307 385 I CB -1.067 36.871 38.000 -0.103 0.000 1.005 385 I HN 0.047 nan 8.210 nan 0.000 0.421 386 D N 0.915 121.318 120.400 0.005 0.000 2.137 386 D HA -0.240 4.402 4.640 0.003 0.000 0.193 386 D C 2.261 178.569 176.300 0.015 0.000 0.993 386 D CA 1.830 55.835 54.000 0.008 0.000 0.846 386 D CB -0.593 40.218 40.800 0.019 0.000 0.990 386 D HN 0.394 nan 8.370 nan 0.000 0.448 387 R N 0.441 120.958 120.500 0.029 0.000 2.127 387 R HA -0.141 4.201 4.340 0.003 0.000 0.238 387 R C 2.165 178.482 176.300 0.028 0.000 1.134 387 R CA 0.658 56.776 56.100 0.031 0.000 0.975 387 R CB -0.286 30.040 30.300 0.043 0.000 0.865 387 R HN 0.153 nan 8.270 nan 0.000 0.447 388 L N 0.485 121.725 121.223 0.028 0.000 2.034 388 L HA -0.076 4.266 4.340 0.003 0.000 0.203 388 L C 2.045 178.921 176.870 0.011 0.000 1.074 388 L CA 2.054 56.910 54.840 0.026 0.000 0.748 388 L CB -1.348 40.732 42.059 0.035 0.000 0.905 388 L HN 0.177 nan 8.230 nan 0.000 0.439 389 T N -0.435 114.117 114.554 -0.004 0.000 2.737 389 T HA -0.297 4.055 4.350 0.003 0.000 0.269 389 T C 1.676 176.375 174.700 -0.002 0.000 1.040 389 T CA 1.703 63.796 62.100 -0.011 0.000 1.142 389 T CB -0.205 68.643 68.868 -0.033 0.000 0.861 389 T HN 0.254 nan 8.240 nan 0.000 0.456 390 Q N 1.286 121.087 119.800 0.002 0.000 2.029 390 Q HA -0.153 4.189 4.340 0.003 0.000 0.209 390 Q C 2.110 178.115 176.000 0.009 0.000 0.999 390 Q CA 1.786 57.593 55.803 0.007 0.000 0.857 390 Q CB -0.838 27.906 28.738 0.011 0.000 0.926 390 Q HN 0.618 nan 8.270 nan 0.000 0.415 391 L N -0.711 120.518 121.223 0.011 0.000 1.990 391 L HA -0.229 4.113 4.340 0.003 0.000 0.213 391 L C 2.385 179.259 176.870 0.007 0.000 1.072 391 L CA 1.420 56.267 54.840 0.011 0.000 0.755 391 L CB -1.135 40.928 42.059 0.006 0.000 0.889 391 L HN 0.135 nan 8.230 nan 0.000 0.432 392 V N 0.041 119.957 119.914 0.003 0.000 2.278 392 V HA -0.352 3.770 4.120 0.003 0.000 0.251 392 V C 2.625 178.721 176.094 0.003 0.000 1.062 392 V CA 2.169 64.469 62.300 0.001 0.000 1.038 392 V CB -0.835 30.995 31.823 0.012 0.000 0.646 392 V HN 0.428 nan 8.190 nan 0.000 0.447 393 R N -0.128 120.376 120.500 0.006 0.000 2.148 393 R HA -0.066 4.276 4.340 0.003 0.000 0.223 393 R C 2.270 178.577 176.300 0.012 0.000 1.088 393 R CA 1.019 57.123 56.100 0.007 0.000 0.985 393 R CB -0.360 29.943 30.300 0.005 0.000 0.880 393 R HN 0.564 nan 8.270 nan 0.000 0.451 394 N N 0.094 118.805 118.700 0.018 0.000 2.106 394 N HA -0.058 4.684 4.740 0.003 0.000 0.188 394 N C 0.720 176.251 175.510 0.035 0.000 1.029 394 N CA 1.614 54.679 53.050 0.026 0.000 0.848 394 N CB 0.125 38.631 38.487 0.031 0.000 1.007 394 N HN 0.322 nan 8.380 nan 0.000 0.423 395 G N -0.244 108.582 108.800 0.044 0.000 2.742 395 G HA2 -0.064 3.898 3.960 0.003 0.000 0.686 395 G HA3 -0.064 3.898 3.960 0.003 0.000 0.686 395 G C -2.755 172.216 174.900 0.117 0.000 1.220 395 G CA -0.844 44.285 45.100 0.048 0.000 0.783 395 G HN -0.066 nan 8.290 nan 0.000 0.646 396 P HA 0.139 nan 4.420 nan 0.000 0.263 396 P C 0.622 178.064 177.300 0.236 0.000 1.386 396 P CA 0.784 63.997 63.100 0.188 0.000 0.797 396 P CB -0.136 31.584 31.700 0.033 0.000 1.381 397 N N -3.087 115.699 118.700 0.142 0.000 1.926 397 N HA -0.006 4.736 4.740 0.003 0.000 0.221 397 N C -0.234 175.275 175.510 -0.002 0.000 1.410 397 N CA -0.093 52.980 53.050 0.037 0.000 0.711 397 N CB -0.194 38.312 38.487 0.031 0.000 1.126 397 N HN 0.110 nan 8.380 nan 0.000 0.546 398 E N 0.430 120.639 120.200 0.015 0.000 2.216 398 E HA 0.121 4.473 4.350 0.003 0.000 0.279 398 E C 0.547 177.131 176.600 -0.028 0.000 0.997 398 E CA -0.390 56.013 56.400 0.005 0.000 0.817 398 E CB 1.289 31.002 29.700 0.021 0.000 1.096 398 E HN 0.206 nan 8.360 nan 0.000 0.393 399 H N 5.090 124.096 119.070 -0.106 0.000 2.355 399 H HA -0.087 4.470 4.556 0.002 0.000 0.293 399 H C -1.420 173.861 175.328 -0.078 0.000 1.060 399 H CA 2.196 58.140 56.048 -0.174 0.000 1.167 399 H CB -0.843 28.849 29.762 -0.118 0.000 1.376 399 H HN 0.406 nan 8.280 nan 0.000 0.549 400 P HA 0.183 nan 4.420 nan 0.000 0.225 400 P C -0.287 176.965 177.300 -0.081 0.000 1.768 400 P CA 0.544 63.394 63.100 -0.418 0.000 0.943 400 P CB 0.275 31.901 31.700 -0.123 0.000 1.936 401 G N -0.092 108.792 108.800 0.141 0.000 3.286 401 G HA2 0.846 4.808 3.960 0.003 0.000 0.166 401 G HA3 0.846 4.808 3.960 0.003 0.000 0.166 401 G C -1.072 173.861 174.900 0.055 0.000 1.155 401 G CA -0.387 44.833 45.100 0.200 0.000 0.871 401 G HN 0.411 nan 8.290 nan 0.000 0.637 402 A N -1.195 121.471 122.820 -0.258 0.000 2.522 402 A HA 0.602 4.924 4.320 0.003 0.000 0.294 402 A C -1.662 175.753 177.584 -0.282 0.000 1.001 402 A CA -0.622 51.056 52.037 -0.599 0.000 0.642 402 A CB 1.066 19.904 19.000 -0.269 0.000 1.326 402 A HN 0.931 nan 8.150 nan 0.000 0.435 403 K N 0.680 120.971 120.400 -0.183 0.000 2.324 403 K HA 0.737 5.059 4.320 0.003 0.000 0.253 403 K C -1.469 175.267 176.600 0.227 0.000 0.932 403 K CA -0.483 55.810 56.287 0.011 0.000 0.799 403 K CB 1.568 34.136 32.500 0.113 0.000 1.154 403 K HN 1.302 nan 8.250 nan 0.000 0.425 404 Y N -1.301 118.941 120.300 -0.096 0.000 2.665 404 Y HA -0.196 4.357 4.550 0.006 0.000 0.024 404 Y C -1.044 174.814 175.900 -0.070 0.000 1.902 404 Y CA -0.316 57.736 58.100 -0.079 0.000 1.309 404 Y CB -0.832 37.589 38.460 -0.065 0.000 1.970 404 Y HN 0.423 nan 8.280 nan 0.000 0.273 405 V N 5.959 125.897 119.914 0.040 0.000 2.487 405 V HA 0.691 4.813 4.120 0.003 0.000 0.298 405 V C -0.050 175.998 176.094 -0.078 0.000 1.028 405 V CA -0.782 61.528 62.300 0.016 0.000 0.860 405 V CB 1.793 33.639 31.823 0.039 0.000 0.991 405 V HN 0.467 nan 8.190 nan 0.000 0.427 406 I N 5.042 125.545 120.570 -0.111 0.000 2.474 406 I HA 0.638 4.810 4.170 0.003 0.000 0.294 406 I C 0.299 176.090 176.117 -0.544 0.000 1.005 406 I CA -0.377 60.776 61.300 -0.245 0.000 1.113 406 I CB 1.774 39.699 38.000 -0.126 0.000 1.289 406 I HN 0.504 nan 8.210 nan 0.000 0.436 407 R N 2.482 122.503 120.500 -0.799 0.000 2.944 407 R HA 0.395 4.737 4.340 0.003 0.000 0.233 407 R C 0.252 176.194 176.300 -0.597 0.000 1.346 407 R CA -0.892 54.333 56.100 -1.458 0.000 1.082 407 R CB 0.602 30.089 30.300 -1.355 0.000 1.434 407 R HN 0.504 nan 8.270 nan 0.000 0.510 408 D N 0.681 120.915 120.400 -0.277 0.000 2.120 408 D HA -0.179 4.463 4.640 0.003 0.000 0.191 408 D C 1.820 178.131 176.300 0.019 0.000 0.994 408 D CA 2.452 56.498 54.000 0.077 0.000 0.838 408 D CB -0.407 40.532 40.800 0.233 0.000 0.976 408 D HN 0.514 nan 8.370 nan 0.000 0.447 409 S N -0.521 115.177 115.700 -0.003 0.000 2.419 409 S HA -0.000 4.472 4.470 0.003 0.000 0.235 409 S C 1.582 176.174 174.600 -0.014 0.000 1.019 409 S CA 1.226 59.428 58.200 0.003 0.000 0.982 409 S CB -0.179 63.018 63.200 -0.004 0.000 0.789 409 S HN 0.513 nan 8.310 nan 0.000 0.490 410 G N 1.681 110.437 108.800 -0.073 0.000 2.797 410 G HA2 0.074 4.036 3.960 0.003 0.000 0.192 410 G HA3 0.074 4.036 3.960 0.003 0.000 0.192 410 G C -0.938 173.918 174.900 -0.073 0.000 1.101 410 G CA -0.341 44.718 45.100 -0.069 0.000 0.930 410 G HN 0.739 nan 8.290 nan 0.000 0.512 411 D N -1.084 119.245 120.400 -0.119 0.000 2.477 411 D HA 0.729 5.370 4.640 0.003 0.000 0.234 411 D C 0.120 176.366 176.300 -0.090 0.000 1.048 411 D CA -1.186 52.762 54.000 -0.087 0.000 0.959 411 D CB 1.050 41.803 40.800 -0.079 0.000 1.408 411 D HN 0.160 nan 8.370 nan 0.000 0.496 412 R N 0.249 120.733 120.500 -0.027 0.000 2.389 412 R HA 0.475 4.817 4.340 0.003 0.000 0.295 412 R C -1.007 175.264 176.300 -0.047 0.000 1.075 412 R CA -0.228 55.887 56.100 0.025 0.000 1.005 412 R CB 0.326 30.687 30.300 0.103 0.000 0.987 412 R HN 0.418 nan 8.270 nan 0.000 0.452 413 I N 3.004 123.527 120.570 -0.079 0.000 2.405 413 I HA 0.124 4.296 4.170 0.003 0.000 0.280 413 I C -0.615 175.381 176.117 -0.202 0.000 1.027 413 I CA -0.535 60.695 61.300 -0.118 0.000 1.161 413 I CB 1.437 39.368 38.000 -0.114 0.000 1.300 413 I HN 0.427 nan 8.210 nan 0.000 0.463 414 D N 6.495 126.732 120.400 -0.271 0.000 2.352 414 D HA 0.176 4.817 4.640 0.003 0.000 0.245 414 D C 0.843 176.892 176.300 -0.418 0.000 1.224 414 D CA 0.014 53.694 54.000 -0.534 0.000 0.879 414 D CB 0.997 41.515 40.800 -0.471 0.000 1.057 414 D HN 0.441 nan 8.370 nan 0.000 0.491 415 L N 4.020 124.981 121.223 -0.436 0.000 2.599 415 L HA 0.027 4.369 4.340 0.003 0.000 0.230 415 L C 2.241 178.968 176.870 -0.238 0.000 1.141 415 L CA 0.111 54.802 54.840 -0.248 0.000 0.877 415 L CB -0.156 41.804 42.059 -0.164 0.000 1.009 415 L HN 0.347 nan 8.230 nan 0.000 0.447 416 R N -0.775 119.485 120.500 -0.399 0.000 2.090 416 R HA 0.012 4.354 4.340 0.003 0.000 0.219 416 R C 0.872 177.030 176.300 -0.237 0.000 1.100 416 R CA 0.354 56.226 56.100 -0.380 0.000 0.991 416 R CB -0.396 29.567 30.300 -0.561 0.000 0.893 416 R HN 0.171 nan 8.270 nan 0.000 0.443 417 Y N 1.305 121.555 120.300 -0.084 0.000 2.956 417 Y HA 0.268 4.815 4.550 -0.004 0.000 0.418 417 Y C 0.556 176.417 175.900 -0.064 0.000 1.266 417 Y CA -0.487 57.575 58.100 -0.063 0.000 1.522 417 Y CB 0.045 38.468 38.460 -0.061 0.000 1.524 417 Y HN 0.167 nan 8.280 nan 0.000 0.799 418 S N 0.313 116.100 115.700 0.146 0.000 2.969 418 S HA -0.171 4.301 4.470 0.003 0.000 0.856 418 S C 0.290 174.910 174.600 0.033 0.000 0.942 418 S CA 0.245 58.474 58.200 0.049 0.000 1.387 418 S CB -0.473 62.724 63.200 -0.005 0.000 0.992 418 S HN 0.792 nan 8.310 nan 0.000 0.268 419 K N 3.598 124.012 120.400 0.024 0.000 2.442 419 K HA -0.002 4.320 4.320 0.003 0.000 0.198 419 K C 1.270 177.879 176.600 0.014 0.000 1.044 419 K CA 0.981 57.278 56.287 0.017 0.000 0.948 419 K CB -0.044 32.463 32.500 0.012 0.000 0.762 419 K HN 0.490 nan 8.250 nan 0.000 0.472 420 R N 0.179 120.686 120.500 0.012 0.000 2.586 420 R HA 0.244 4.586 4.340 0.003 0.000 0.336 420 R C 0.786 177.092 176.300 0.011 0.000 1.060 420 R CA 0.409 56.517 56.100 0.014 0.000 1.079 420 R CB 1.035 31.347 30.300 0.021 0.000 1.317 420 R HN 0.301 nan 8.270 nan 0.000 0.568 421 A N 0.001 122.823 122.820 0.004 0.000 2.208 421 A HA 0.125 4.447 4.320 0.003 0.000 0.209 421 A C 1.496 179.080 177.584 0.001 0.000 1.161 421 A CA 0.951 52.984 52.037 -0.005 0.000 0.782 421 A CB 0.158 19.145 19.000 -0.021 0.000 0.816 421 A HN 0.250 nan 8.150 nan 0.000 0.477 422 G N -0.883 107.920 108.800 0.006 0.000 3.805 422 G HA2 0.395 4.357 3.960 0.003 0.000 0.290 422 G HA3 0.395 4.357 3.960 0.003 0.000 0.290 422 G C 0.083 174.988 174.900 0.007 0.000 1.077 422 G CA 0.698 45.802 45.100 0.006 0.000 0.852 422 G HN 0.484 nan 8.290 nan 0.000 0.531 423 D N -0.166 120.240 120.400 0.011 0.000 2.906 423 D HA 0.139 4.781 4.640 0.003 0.000 0.162 423 D C 0.861 177.172 176.300 0.018 0.000 1.360 423 D CA -0.186 53.821 54.000 0.012 0.000 1.565 423 D CB -0.182 40.627 40.800 0.015 0.000 1.429 423 D HN 0.263 nan 8.370 nan 0.000 0.185 424 I N 0.744 121.336 120.570 0.036 0.000 4.719 424 I HA -0.213 3.959 4.170 0.003 0.000 0.126 424 I C -0.880 175.257 176.117 0.032 0.000 1.154 424 I CA 0.112 61.452 61.300 0.067 0.000 2.669 424 I CB -0.966 37.090 38.000 0.093 0.000 1.842 424 I HN 0.332 nan 8.210 nan 0.000 0.327 425 Q N 6.175 125.976 119.800 0.002 0.000 2.288 425 Q HA 0.525 4.867 4.340 0.003 0.000 0.258 425 Q C -0.188 175.705 176.000 -0.179 0.000 0.957 425 Q CA -0.599 55.155 55.803 -0.081 0.000 0.919 425 Q CB 1.990 30.670 28.738 -0.097 0.000 1.185 425 Q HN 0.609 nan 8.270 nan 0.000 0.408 426 L N 3.906 124.986 121.223 -0.238 0.000 2.281 426 L HA 0.161 4.503 4.340 0.003 0.000 0.285 426 L C 0.290 176.755 176.870 -0.676 0.000 1.074 426 L CA -0.379 54.229 54.840 -0.387 0.000 0.817 426 L CB 0.724 42.656 42.059 -0.211 0.000 1.168 426 L HN 0.293 nan 8.230 nan 0.000 0.434 427 Q N 3.039 122.143 119.800 -1.159 0.000 2.271 427 Q HA 0.289 4.631 4.340 0.003 0.000 0.258 427 Q C -0.869 174.672 176.000 -0.766 0.000 0.936 427 Q CA -0.705 54.503 55.803 -0.993 0.000 0.909 427 Q CB 1.367 29.473 28.738 -1.053 0.000 1.253 427 Q HN 0.321 nan 8.270 nan 0.000 0.440 428 Y N 0.455 120.558 120.300 -0.327 0.000 2.881 428 Y HA 0.047 4.600 4.550 0.005 0.000 0.335 428 Y C 1.657 177.500 175.900 -0.094 0.000 1.263 428 Y CA 1.806 59.806 58.100 -0.166 0.000 1.572 428 Y CB 0.232 38.628 38.460 -0.108 0.000 1.237 428 Y HN 0.930 nan 8.280 nan 0.000 0.568 429 G N 1.513 110.412 108.800 0.166 0.000 2.134 429 G HA2 -0.233 3.729 3.960 0.003 0.000 0.209 429 G HA3 -0.233 3.729 3.960 0.003 0.000 0.209 429 G C -0.781 174.321 174.900 0.336 0.000 0.993 429 G CA -0.744 44.481 45.100 0.209 0.000 0.669 429 G HN 0.500 nan 8.290 nan 0.000 0.519 430 W N 1.897 123.217 121.300 0.033 0.000 2.551 430 W HA 0.663 5.324 4.660 0.001 0.000 0.330 430 W C 0.688 177.207 176.519 -0.001 0.000 1.063 430 W CA -1.593 55.758 57.345 0.010 0.000 1.222 430 W CB 1.021 30.477 29.460 -0.006 0.000 1.349 430 W HN 0.229 nan 8.180 nan 0.000 0.536 431 K N 1.162 121.663 120.400 0.168 0.000 2.118 431 K HA 0.696 5.018 4.320 0.003 0.000 0.267 431 K C -0.782 175.849 176.600 0.052 0.000 0.991 431 K CA -0.892 55.433 56.287 0.063 0.000 0.916 431 K CB 1.471 33.955 32.500 -0.027 0.000 1.041 431 K HN 0.138 nan 8.250 nan 0.000 0.455 432 V N 1.860 121.787 119.914 0.021 0.000 2.467 432 V HA 0.056 4.178 4.120 0.003 0.000 0.260 432 V C -0.516 175.571 176.094 -0.013 0.000 0.963 432 V CA -0.886 61.432 62.300 0.030 0.000 0.856 432 V CB 0.479 32.337 31.823 0.058 0.000 1.087 432 V HN 0.772 nan 8.190 nan 0.000 0.467 433 E N 3.926 124.110 120.200 -0.027 0.000 2.905 433 E HA -0.033 4.319 4.350 0.003 0.000 0.240 433 E C 0.394 176.960 176.600 -0.057 0.000 0.990 433 E CA 0.270 56.633 56.400 -0.062 0.000 0.954 433 E CB 0.520 30.191 29.700 -0.048 0.000 0.908 433 E HN 0.766 nan 8.360 nan 0.000 0.532 434 R N 2.852 123.326 120.500 -0.043 0.000 2.668 434 R HA 0.305 4.647 4.340 0.003 0.000 0.279 434 R C -0.088 176.190 176.300 -0.036 0.000 0.976 434 R CA -0.802 55.264 56.100 -0.057 0.000 0.978 434 R CB 0.971 31.292 30.300 0.035 0.000 1.133 434 R HN 0.367 nan 8.270 nan 0.000 0.484 435 H N 1.425 120.512 119.070 0.028 0.000 2.948 435 H HA 0.020 4.577 4.556 0.001 0.000 0.351 435 H C 0.226 175.589 175.328 0.057 0.000 1.079 435 H CA 0.168 56.232 56.048 0.026 0.000 1.407 435 H CB 0.462 30.176 29.762 -0.081 0.000 1.373 435 H HN 0.399 nan 8.280 nan 0.000 0.605 436 I N 3.302 124.022 120.570 0.250 0.000 2.668 436 I HA -0.129 4.043 4.170 0.003 0.000 0.285 436 I C 0.788 177.031 176.117 0.209 0.000 1.168 436 I CA 0.995 62.408 61.300 0.189 0.000 1.424 436 I CB -0.038 38.063 38.000 0.169 0.000 1.377 436 I HN 0.306 nan 8.210 nan 0.000 0.560 437 M N 4.699 124.385 119.600 0.142 0.000 2.578 437 M HA 0.259 4.741 4.480 0.003 0.000 0.321 437 M C 0.016 176.383 176.300 0.112 0.000 1.182 437 M CA -1.016 54.378 55.300 0.155 0.000 0.965 437 M CB 1.172 33.833 32.600 0.100 0.000 1.694 437 M HN 0.444 nan 8.290 nan 0.000 0.461 438 D N 2.241 122.716 120.400 0.125 0.000 2.703 438 D HA -0.128 4.513 4.640 0.003 0.000 0.225 438 D C -0.181 176.145 176.300 0.043 0.000 1.119 438 D CA 1.327 55.367 54.000 0.067 0.000 0.845 438 D CB 0.322 41.161 40.800 0.064 0.000 1.182 438 D HN 0.567 nan 8.370 nan 0.000 0.493 439 N N 2.355 121.072 118.700 0.028 0.000 2.641 439 N HA -0.185 4.557 4.740 0.003 0.000 0.267 439 N C -1.290 174.222 175.510 0.003 0.000 1.087 439 N CA 0.831 53.892 53.050 0.018 0.000 0.731 439 N CB -0.425 38.072 38.487 0.017 0.000 0.886 439 N HN 0.413 nan 8.380 nan 0.000 0.547 440 D N -0.240 120.161 120.400 0.001 0.000 2.350 440 D HA 0.484 5.126 4.640 0.003 0.000 0.238 440 D C -2.278 174.013 176.300 -0.016 0.000 0.989 440 D CA -1.331 52.650 54.000 -0.031 0.000 0.921 440 D CB 1.479 42.257 40.800 -0.037 0.000 1.297 440 D HN 0.023 nan 8.370 nan 0.000 0.490 441 P HA 0.165 nan 4.420 nan 0.000 0.276 441 P C -0.703 176.614 177.300 0.029 0.000 1.235 441 P CA -0.371 62.726 63.100 -0.005 0.000 0.772 441 P CB 0.856 32.537 31.700 -0.032 0.000 0.871 442 V N 1.389 121.352 119.914 0.082 0.000 2.971 442 V HA 0.439 4.561 4.120 0.003 0.000 0.309 442 V C -0.614 175.592 176.094 0.187 0.000 1.130 442 V CA -1.194 61.179 62.300 0.122 0.000 0.964 442 V CB 2.306 34.193 31.823 0.107 0.000 1.029 442 V HN 0.378 nan 8.190 nan 0.000 0.427 443 L N 4.066 125.413 121.223 0.207 0.000 2.278 443 L HA 0.558 4.900 4.340 0.003 0.000 0.287 443 L C -1.328 175.739 176.870 0.329 0.000 1.072 443 L CA -0.257 54.734 54.840 0.252 0.000 0.819 443 L CB 0.915 43.095 42.059 0.202 0.000 1.176 443 L HN 0.842 nan 8.230 nan 0.000 0.435 444 F N 6.842 126.866 119.950 0.125 0.000 2.507 444 F HA 0.425 4.954 4.527 0.003 0.000 0.328 444 F C -0.441 175.339 175.800 -0.034 0.000 1.136 444 F CA -0.902 57.057 58.000 -0.068 0.000 0.930 444 F CB 1.158 40.022 39.000 -0.227 0.000 1.166 444 F HN 0.551 nan 8.300 nan 0.000 0.436 445 N N 5.037 123.427 118.700 -0.515 0.000 2.455 445 N HA 0.515 5.257 4.740 0.003 0.000 0.278 445 N C -1.814 173.367 175.510 -0.548 0.000 1.291 445 N CA -0.925 51.914 53.050 -0.351 0.000 0.780 445 N CB 2.873 41.361 38.487 0.001 0.000 1.520 445 N HN 0.763 nan 8.380 nan 0.000 0.486 446 R N 0.709 121.054 120.500 -0.260 0.000 2.711 446 R HA 0.356 4.698 4.340 0.003 0.000 0.284 446 R C -1.098 175.173 176.300 -0.049 0.000 0.968 446 R CA -0.352 55.631 56.100 -0.195 0.000 0.924 446 R CB 1.708 31.920 30.300 -0.146 0.000 1.162 446 R HN 0.641 nan 8.270 nan 0.000 0.465 447 Q N 2.636 122.405 119.800 -0.050 0.000 2.301 447 Q HA 0.449 4.791 4.340 0.003 0.000 0.267 447 Q C -2.191 173.800 176.000 -0.015 0.000 1.035 447 Q CA -2.124 53.668 55.803 -0.017 0.000 0.856 447 Q CB 1.921 30.650 28.738 -0.014 0.000 1.337 447 Q HN 0.547 nan 8.270 nan 0.000 0.450 448 P HA -0.019 nan 4.420 nan 0.000 0.266 448 P C -0.979 176.322 177.300 0.002 0.000 1.195 448 P CA 0.035 63.130 63.100 -0.007 0.000 0.768 448 P CB 0.563 32.254 31.700 -0.014 0.000 0.838 449 S N 2.401 118.099 115.700 -0.003 0.000 3.170 449 S HA 0.243 4.715 4.470 0.003 0.000 0.257 449 S C 0.622 175.205 174.600 -0.028 0.000 1.284 449 S CA -0.527 57.676 58.200 0.005 0.000 0.973 449 S CB -0.686 62.517 63.200 0.005 0.000 1.330 449 S HN 0.357 nan 8.310 nan 0.000 0.493 450 L N -0.287 120.906 121.223 -0.049 0.000 3.218 450 L HA 0.660 5.002 4.340 0.003 0.000 0.279 450 L C -0.287 176.295 176.870 -0.481 0.000 1.287 450 L CA -0.403 54.312 54.840 -0.208 0.000 1.024 450 L CB -0.971 40.947 42.059 -0.236 0.000 1.409 450 L HN 0.335 nan 8.230 nan 0.000 0.580 451 H N -1.310 117.707 119.070 -0.087 0.000 2.928 451 H HA 0.486 5.044 4.556 0.003 0.000 0.285 451 H C -0.091 175.179 175.328 -0.096 0.000 1.438 451 H CA -1.017 54.966 56.048 -0.108 0.000 1.176 451 H CB 0.633 30.318 29.762 -0.128 0.000 1.864 451 H HN 0.008 nan 8.280 nan 0.000 0.567 452 K N -0.101 120.334 120.400 0.057 0.000 2.551 452 K HA 0.250 4.572 4.320 0.003 0.000 0.204 452 K C 0.327 176.908 176.600 -0.033 0.000 1.033 452 K CA 0.910 57.194 56.287 -0.004 0.000 1.187 452 K CB 0.195 32.674 32.500 -0.035 0.000 0.900 452 K HN 0.436 nan 8.250 nan 0.000 0.499 453 M N -0.115 119.461 119.600 -0.039 0.000 2.564 453 M HA 0.042 4.524 4.480 0.003 0.000 0.254 453 M C 0.859 176.946 176.300 -0.355 0.000 1.299 453 M CA 0.160 55.313 55.300 -0.245 0.000 1.143 453 M CB 0.744 33.081 32.600 -0.439 0.000 1.427 453 M HN 0.273 nan 8.290 nan 0.000 0.538 454 S N 0.277 115.899 115.700 -0.130 0.000 2.805 454 S HA 0.150 4.622 4.470 0.003 0.000 0.230 454 S C 0.459 175.175 174.600 0.194 0.000 0.968 454 S CA 0.291 58.508 58.200 0.028 0.000 0.976 454 S CB -0.390 62.898 63.200 0.148 0.000 0.787 454 S HN 0.351 nan 8.310 nan 0.000 0.533 455 M N 2.357 122.017 119.600 0.101 0.000 2.213 455 M HA 0.419 4.901 4.480 0.003 0.000 0.243 455 M C -1.176 175.193 176.300 0.116 0.000 0.979 455 M CA -0.007 55.377 55.300 0.139 0.000 1.037 455 M CB 1.787 34.423 32.600 0.061 0.000 2.200 455 M HN 0.514 nan 8.290 nan 0.000 0.465 456 M N 1.494 121.230 119.600 0.226 0.000 2.732 456 M HA 0.810 5.292 4.480 0.003 0.000 0.272 456 M C -1.009 175.408 176.300 0.195 0.000 1.203 456 M CA -0.957 54.431 55.300 0.148 0.000 0.841 456 M CB 1.843 34.462 32.600 0.033 0.000 1.685 456 M HN 0.458 nan 8.290 nan 0.000 0.492 457 A N 1.041 123.890 122.820 0.049 0.000 2.425 457 A HA 0.636 4.958 4.320 0.003 0.000 0.249 457 A C -0.757 176.779 177.584 -0.080 0.000 1.084 457 A CA 0.148 52.207 52.037 0.037 0.000 0.781 457 A CB 0.058 19.053 19.000 -0.009 0.000 1.019 457 A HN 0.839 nan 8.150 nan 0.000 0.490 458 H N 0.572 119.679 119.070 0.063 0.000 2.946 458 H HA 0.414 4.972 4.556 0.003 0.000 0.365 458 H C -0.709 174.617 175.328 -0.003 0.000 1.197 458 H CA -0.687 55.379 56.048 0.029 0.000 1.131 458 H CB 1.710 31.469 29.762 -0.004 0.000 1.849 458 H HN 0.733 nan 8.280 nan 0.000 0.555 459 R N 1.019 121.606 120.500 0.146 0.000 2.346 459 R HA 0.388 4.730 4.340 0.003 0.000 0.311 459 R C -0.646 175.682 176.300 0.046 0.000 0.983 459 R CA -0.712 55.429 56.100 0.068 0.000 0.880 459 R CB 1.459 31.789 30.300 0.051 0.000 1.100 459 R HN 0.168 nan 8.270 nan 0.000 0.453 460 V N 3.242 123.170 119.914 0.024 0.000 2.607 460 V HA 0.216 4.338 4.120 0.003 0.000 0.289 460 V C -0.001 176.095 176.094 0.003 0.000 1.053 460 V CA -0.332 61.971 62.300 0.005 0.000 0.996 460 V CB 1.291 33.127 31.823 0.023 0.000 0.995 460 V HN 0.626 nan 8.190 nan 0.000 0.476 461 K N 4.119 124.509 120.400 -0.018 0.000 2.675 461 K HA 0.419 4.741 4.320 0.003 0.000 0.224 461 K C -1.195 175.375 176.600 -0.049 0.000 1.003 461 K CA -0.396 55.879 56.287 -0.021 0.000 1.034 461 K CB 1.104 33.596 32.500 -0.013 0.000 1.218 461 K HN 0.375 nan 8.250 nan 0.000 0.507 462 V N 5.365 125.235 119.914 -0.074 0.000 2.617 462 V HA 0.160 4.282 4.120 0.003 0.000 0.304 462 V C 0.502 176.503 176.094 -0.156 0.000 1.040 462 V CA 0.271 62.474 62.300 -0.161 0.000 1.149 462 V CB -0.877 30.733 31.823 -0.355 0.000 0.914 462 V HN 0.718 nan 8.190 nan 0.000 0.487 463 I N 3.633 124.118 120.570 -0.142 0.000 3.095 463 I HA 0.761 4.933 4.170 0.003 0.000 0.310 463 I C -2.780 173.283 176.117 -0.089 0.000 1.196 463 I CA -2.643 58.604 61.300 -0.089 0.000 0.985 463 I CB 1.861 39.842 38.000 -0.032 0.000 1.250 463 I HN 0.327 nan 8.210 nan 0.000 0.446 464 P HA 0.229 nan 4.420 nan 0.000 0.274 464 P C -1.367 175.954 177.300 0.035 0.000 1.260 464 P CA 0.122 63.156 63.100 -0.110 0.000 0.793 464 P CB 0.113 31.699 31.700 -0.191 0.000 1.048 465 Y N -2.402 117.844 120.300 -0.089 0.000 2.564 465 Y HA -0.195 4.359 4.550 0.006 0.000 0.026 465 Y C 1.297 177.131 175.900 -0.110 0.000 1.760 465 Y CA 0.582 58.630 58.100 -0.086 0.000 1.378 465 Y CB -2.174 36.242 38.460 -0.074 0.000 2.026 465 Y HN 0.329 nan 8.280 nan 0.000 0.263 466 S N -0.453 115.268 115.700 0.035 0.000 2.720 466 S HA 0.083 4.555 4.470 0.003 0.000 0.222 466 S C 0.623 175.160 174.600 -0.105 0.000 0.958 466 S CA 0.210 58.370 58.200 -0.067 0.000 0.943 466 S CB -0.452 62.706 63.200 -0.070 0.000 0.779 466 S HN 0.790 nan 8.310 nan 0.000 0.526 467 T N -0.539 113.983 114.554 -0.053 0.000 2.882 467 T HA 0.562 4.914 4.350 0.003 0.000 0.287 467 T C -0.368 174.295 174.700 -0.062 0.000 0.992 467 T CA -0.868 61.208 62.100 -0.039 0.000 1.076 467 T CB 0.248 69.117 68.868 0.001 0.000 0.961 467 T HN 0.172 nan 8.240 nan 0.000 0.490 468 F N 3.137 123.086 119.950 -0.002 0.000 2.494 468 F HA 0.275 4.805 4.527 0.005 0.000 0.369 468 F C 1.524 177.294 175.800 -0.050 0.000 1.098 468 F CA -0.723 57.257 58.000 -0.033 0.000 1.154 468 F CB 0.581 39.623 39.000 0.070 0.000 1.103 468 F HN 0.373 nan 8.300 nan 0.000 0.549 469 R N 5.479 126.035 120.500 0.094 0.000 2.368 469 R HA 0.734 5.076 4.340 0.003 0.000 0.302 469 R C -1.266 175.010 176.300 -0.041 0.000 1.002 469 R CA -1.034 55.060 56.100 -0.010 0.000 0.929 469 R CB 1.343 31.606 30.300 -0.062 0.000 1.073 469 R HN 0.511 nan 8.270 nan 0.000 0.464 470 L N -1.004 120.218 121.223 -0.002 0.000 2.424 470 L HA 0.523 4.865 4.340 0.003 0.000 0.258 470 L C -0.612 176.312 176.870 0.089 0.000 0.995 470 L CA -1.229 53.634 54.840 0.039 0.000 0.821 470 L CB 1.302 43.443 42.059 0.136 0.000 1.383 470 L HN 0.334 nan 8.230 nan 0.000 0.410 471 N N 1.008 119.770 118.700 0.105 0.000 2.483 471 N HA 0.188 4.929 4.740 0.003 0.000 0.264 471 N C 0.694 176.301 175.510 0.162 0.000 1.197 471 N CA -0.009 53.100 53.050 0.099 0.000 0.927 471 N CB 0.890 39.420 38.487 0.072 0.000 1.065 471 N HN 0.832 nan 8.380 nan 0.000 0.461 472 L N 1.754 123.082 121.223 0.174 0.000 2.447 472 L HA -0.083 4.259 4.340 0.003 0.000 0.225 472 L C 1.473 178.432 176.870 0.147 0.000 1.148 472 L CA 0.841 55.834 54.840 0.256 0.000 0.808 472 L CB -0.258 41.935 42.059 0.224 0.000 0.928 472 L HN 0.409 nan 8.230 nan 0.000 0.448 473 S N -1.723 114.019 115.700 0.070 0.000 2.554 473 S HA 0.144 4.616 4.470 0.003 0.000 0.226 473 S C 1.004 175.527 174.600 -0.128 0.000 0.980 473 S CA -0.154 58.029 58.200 -0.029 0.000 0.939 473 S CB 0.746 63.926 63.200 -0.033 0.000 0.832 473 S HN 0.170 nan 8.310 nan 0.000 0.486 474 V N 1.865 121.780 119.914 0.002 0.000 3.110 474 V HA 0.150 4.272 4.120 0.003 0.000 0.368 474 V C 1.539 177.725 176.094 0.154 0.000 1.332 474 V CA 0.521 62.860 62.300 0.065 0.000 1.287 474 V CB -0.294 31.676 31.823 0.245 0.000 1.277 474 V HN 0.410 nan 8.190 nan 0.000 0.502 475 T N -0.030 114.568 114.554 0.073 0.000 2.770 475 T HA -0.139 4.212 4.350 0.003 0.000 0.258 475 T C 2.192 176.887 174.700 -0.009 0.000 1.039 475 T CA 2.054 64.179 62.100 0.042 0.000 1.143 475 T CB 0.002 68.861 68.868 -0.015 0.000 0.866 475 T HN 0.778 nan 8.240 nan 0.000 0.428 476 S N 1.821 117.489 115.700 -0.054 0.000 2.383 476 S HA -0.048 4.424 4.470 0.003 0.000 0.229 476 S C -0.292 174.218 174.600 -0.150 0.000 1.030 476 S CA 1.416 59.564 58.200 -0.087 0.000 1.002 476 S CB -1.223 61.925 63.200 -0.087 0.000 0.829 476 S HN 0.464 nan 8.310 nan 0.000 0.467 477 P HA 0.177 nan 4.420 nan 0.000 0.238 477 P C 0.730 177.781 177.300 -0.415 0.000 1.183 477 P CA 0.561 63.387 63.100 -0.456 0.000 0.813 477 P CB -0.289 31.066 31.700 -0.576 0.000 0.944 478 Y N -0.439 119.789 120.300 -0.120 0.000 2.337 478 Y HA 0.058 4.610 4.550 0.004 0.000 0.293 478 Y C 0.830 176.686 175.900 -0.074 0.000 1.123 478 Y CA 0.538 58.579 58.100 -0.097 0.000 1.201 478 Y CB -0.454 37.931 38.460 -0.125 0.000 1.011 478 Y HN -0.057 nan 8.280 nan 0.000 0.545 479 N N -0.086 118.643 118.700 0.049 0.000 2.791 479 N HA -0.144 4.598 4.740 0.003 0.000 0.250 479 N C -0.952 174.539 175.510 -0.032 0.000 1.082 479 N CA 0.408 53.458 53.050 -0.000 0.000 0.680 479 N CB -1.147 37.347 38.487 0.011 0.000 0.918 479 N HN 0.364 nan 8.380 nan 0.000 0.555 480 A N 1.019 123.802 122.820 -0.060 0.000 2.282 480 A HA 0.709 5.031 4.320 0.003 0.000 0.319 480 A C -0.107 177.289 177.584 -0.314 0.000 1.121 480 A CA 0.014 51.951 52.037 -0.166 0.000 0.836 480 A CB 0.736 19.638 19.000 -0.164 0.000 1.146 480 A HN 0.476 nan 8.150 nan 0.000 0.494 481 D N -0.321 119.848 120.400 -0.385 0.000 2.661 481 D HA 0.376 5.018 4.640 0.003 0.000 0.228 481 D C -1.569 174.438 176.300 -0.489 0.000 1.210 481 D CA -0.189 53.491 54.000 -0.535 0.000 0.826 481 D CB 1.073 41.725 40.800 -0.247 0.000 1.542 481 D HN 0.311 nan 8.370 nan 0.000 0.447 482 F N 1.188 121.143 119.950 0.009 0.000 2.359 482 F HA 0.216 4.745 4.527 0.003 0.000 0.355 482 F C 0.604 176.405 175.800 0.001 0.000 1.132 482 F CA -0.669 57.336 58.000 0.008 0.000 1.246 482 F CB 0.393 39.398 39.000 0.007 0.000 1.569 482 F HN 0.194 nan 8.300 nan 0.000 0.561 483 D N 0.351 120.808 120.400 0.095 0.000 2.712 483 D HA 0.228 4.870 4.640 0.003 0.000 0.300 483 D C 1.008 177.336 176.300 0.046 0.000 1.521 483 D CA -0.163 53.874 54.000 0.061 0.000 0.790 483 D CB 0.454 41.268 40.800 0.023 0.000 1.155 483 D HN 0.573 nan 8.370 nan 0.000 0.456 484 G N 0.674 109.514 108.800 0.068 0.000 2.141 484 G HA2 -0.188 3.774 3.960 0.003 0.000 0.164 484 G HA3 -0.188 3.774 3.960 0.003 0.000 0.164 484 G C -0.672 174.251 174.900 0.039 0.000 1.009 484 G CA -0.476 44.657 45.100 0.055 0.000 0.677 484 G HN 0.297 nan 8.290 nan 0.000 0.508 485 D N 1.063 121.482 120.400 0.031 0.000 2.390 485 D HA 0.417 5.059 4.640 0.003 0.000 0.249 485 D C 0.747 177.063 176.300 0.026 0.000 1.144 485 D CA 0.472 54.475 54.000 0.006 0.000 0.880 485 D CB 0.983 41.763 40.800 -0.033 0.000 1.182 485 D HN 0.513 nan 8.370 nan 0.000 0.451 486 E N 1.187 121.394 120.200 0.011 0.000 2.250 486 E HA 0.526 4.878 4.350 0.003 0.000 0.269 486 E C -0.137 176.440 176.600 -0.039 0.000 1.018 486 E CA -0.570 55.847 56.400 0.030 0.000 0.873 486 E CB 1.392 31.113 29.700 0.035 0.000 1.134 486 E HN 0.298 nan 8.360 nan 0.000 0.403 487 M N 1.455 121.029 119.600 -0.043 0.000 2.593 487 M HA 0.372 4.854 4.480 0.003 0.000 0.290 487 M C -1.146 174.995 176.300 -0.265 0.000 1.244 487 M CA -0.957 54.174 55.300 -0.281 0.000 0.857 487 M CB 2.128 34.364 32.600 -0.607 0.000 1.738 487 M HN 0.326 nan 8.290 nan 0.000 0.461 488 N N 2.320 120.792 118.700 -0.379 0.000 2.392 488 N HA 0.586 5.328 4.740 0.003 0.000 0.283 488 N C -1.689 173.665 175.510 -0.260 0.000 1.003 488 N CA -0.404 52.498 53.050 -0.246 0.000 0.892 488 N CB 2.583 40.985 38.487 -0.142 0.000 1.193 488 N HN 0.567 nan 8.380 nan 0.000 0.487 489 L N 2.693 123.800 121.223 -0.193 0.000 2.346 489 L HA 0.455 4.797 4.340 0.003 0.000 0.276 489 L C -0.697 176.046 176.870 -0.212 0.000 1.006 489 L CA -0.592 54.224 54.840 -0.041 0.000 0.817 489 L CB 1.085 43.187 42.059 0.072 0.000 1.272 489 L HN 0.490 nan 8.230 nan 0.000 0.421 490 H N 3.639 122.791 119.070 0.137 0.000 2.679 490 H HA 0.537 5.095 4.556 0.004 0.000 0.367 490 H C -1.149 174.264 175.328 0.141 0.000 1.162 490 H CA -0.748 55.384 56.048 0.140 0.000 1.181 490 H CB 2.430 32.259 29.762 0.111 0.000 1.693 490 H HN 0.305 nan 8.280 nan 0.000 0.538 491 V N 4.416 124.489 119.914 0.264 0.000 2.409 491 V HA 0.190 4.312 4.120 0.003 0.000 0.291 491 V C -1.839 174.332 176.094 0.128 0.000 1.020 491 V CA -1.586 60.819 62.300 0.174 0.000 0.848 491 V CB 1.660 33.575 31.823 0.153 0.000 0.990 491 V HN 0.638 nan 8.190 nan 0.000 0.430 492 P HA 0.063 nan 4.420 nan 0.000 0.273 492 P C -0.355 176.992 177.300 0.078 0.000 1.252 492 P CA 0.193 63.338 63.100 0.075 0.000 0.809 492 P CB 1.061 32.792 31.700 0.052 0.000 1.017 493 Q N -2.133 117.717 119.800 0.083 0.000 1.977 493 Q HA 0.204 4.545 4.340 0.003 0.000 0.214 493 Q C -0.101 175.929 176.000 0.049 0.000 0.740 493 Q CA 0.131 55.934 55.803 0.001 0.000 0.893 493 Q CB 0.524 29.160 28.738 -0.169 0.000 1.203 493 Q HN 0.372 nan 8.270 nan 0.000 0.436 494 S N -0.272 115.500 115.700 0.119 0.000 2.536 494 S HA 0.323 4.795 4.470 0.003 0.000 0.298 494 S C 0.434 175.129 174.600 0.158 0.000 1.083 494 S CA -0.493 57.773 58.200 0.110 0.000 0.995 494 S CB 1.287 64.515 63.200 0.047 0.000 1.058 494 S HN 0.161 nan 8.310 nan 0.000 0.488 495 E N 2.433 122.725 120.200 0.154 0.000 2.049 495 E HA -0.207 4.145 4.350 0.003 0.000 0.198 495 E C 1.767 178.403 176.600 0.060 0.000 1.007 495 E CA 2.083 58.554 56.400 0.117 0.000 0.809 495 E CB -0.253 29.508 29.700 0.101 0.000 0.749 495 E HN 0.876 nan 8.360 nan 0.000 0.450 496 E N -0.298 119.934 120.200 0.053 0.000 2.130 496 E HA -0.178 4.174 4.350 0.003 0.000 0.196 496 E C 2.017 178.636 176.600 0.033 0.000 0.998 496 E CA 1.685 58.108 56.400 0.039 0.000 0.806 496 E CB -0.516 29.206 29.700 0.035 0.000 0.738 496 E HN 0.104 nan 8.360 nan 0.000 0.459 497 T N 1.020 115.597 114.554 0.039 0.000 2.701 497 T HA -0.085 4.266 4.350 0.003 0.000 0.263 497 T C 1.834 176.548 174.700 0.024 0.000 1.040 497 T CA 1.228 63.347 62.100 0.032 0.000 1.147 497 T CB -0.202 68.692 68.868 0.043 0.000 0.865 497 T HN 0.168 nan 8.240 nan 0.000 0.426 498 R N 1.233 121.745 120.500 0.019 0.000 2.133 498 R HA -0.161 4.181 4.340 0.003 0.000 0.245 498 R C 2.822 179.115 176.300 -0.012 0.000 1.137 498 R CA 1.619 57.706 56.100 -0.021 0.000 0.947 498 R CB -0.732 29.522 30.300 -0.077 0.000 0.865 498 R HN 0.403 nan 8.270 nan 0.000 0.437 499 A N 0.936 123.755 122.820 -0.001 0.000 1.908 499 A HA -0.244 4.078 4.320 0.003 0.000 0.218 499 A C 1.989 179.577 177.584 0.007 0.000 1.181 499 A CA 1.714 53.753 52.037 0.003 0.000 0.627 499 A CB -0.455 18.554 19.000 0.014 0.000 0.818 499 A HN 0.410 nan 8.150 nan 0.000 0.445 500 E N -1.103 119.104 120.200 0.012 0.000 2.268 500 E HA -0.112 4.240 4.350 0.003 0.000 0.195 500 E C 1.605 178.209 176.600 0.005 0.000 0.995 500 E CA 0.441 56.848 56.400 0.012 0.000 0.836 500 E CB -0.011 29.697 29.700 0.013 0.000 0.763 500 E HN 0.416 nan 8.360 nan 0.000 0.491 501 L N -0.112 121.115 121.223 0.007 0.000 2.084 501 L HA -0.029 4.313 4.340 0.003 0.000 0.202 501 L C 2.261 179.128 176.870 -0.005 0.000 1.074 501 L CA 1.437 56.282 54.840 0.008 0.000 0.757 501 L CB -1.042 41.029 42.059 0.020 0.000 0.918 501 L HN 0.018 nan 8.230 nan 0.000 0.444 502 S N -0.514 115.181 115.700 -0.008 0.000 2.400 502 S HA -0.168 4.304 4.470 0.003 0.000 0.232 502 S C 1.786 176.377 174.600 -0.016 0.000 1.025 502 S CA 0.993 59.184 58.200 -0.014 0.000 0.993 502 S CB -0.007 63.183 63.200 -0.016 0.000 0.808 502 S HN 0.457 nan 8.310 nan 0.000 0.478 503 Q N -0.322 119.471 119.800 -0.012 0.000 2.390 503 Q HA 0.285 4.627 4.340 0.003 0.000 0.216 503 Q C 1.807 177.793 176.000 -0.024 0.000 0.916 503 Q CA 0.550 56.344 55.803 -0.015 0.000 0.911 503 Q CB -0.295 28.438 28.738 -0.008 0.000 1.035 503 Q HN 0.404 nan 8.270 nan 0.000 0.541 504 L N -0.653 120.556 121.223 -0.023 0.000 2.262 504 L HA 0.033 4.375 4.340 0.003 0.000 0.197 504 L C 2.204 179.051 176.870 -0.037 0.000 1.073 504 L CA 1.073 55.893 54.840 -0.033 0.000 0.800 504 L CB -0.856 41.187 42.059 -0.027 0.000 0.987 504 L HN 0.097 nan 8.230 nan 0.000 0.470 505 C N 0.064 119.346 119.300 -0.029 0.000 2.594 505 C HA 0.470 4.932 4.460 0.003 0.000 0.265 505 C C 1.509 176.467 174.990 -0.053 0.000 1.351 505 C CA -1.032 57.967 59.018 -0.032 0.000 1.744 505 C CB -1.452 26.285 27.740 -0.005 0.000 1.890 505 C HN 0.390 nan 8.230 nan 0.000 0.551 506 A N 1.394 124.181 122.820 -0.055 0.000 2.592 506 A HA 0.173 4.495 4.320 0.003 0.000 0.250 506 A C 1.429 178.944 177.584 -0.116 0.000 1.017 506 A CA 0.473 52.461 52.037 -0.082 0.000 0.794 506 A CB 0.164 19.132 19.000 -0.053 0.000 0.917 506 A HN 0.343 nan 8.150 nan 0.000 0.515 507 V N 4.640 124.435 119.914 -0.199 0.000 2.370 507 V HA -0.217 3.905 4.120 0.003 0.000 0.252 507 V C -0.240 175.773 176.094 -0.135 0.000 1.068 507 V CA 2.762 64.933 62.300 -0.215 0.000 1.061 507 V CB -1.368 30.251 31.823 -0.341 0.000 0.656 507 V HN 0.830 nan 8.190 nan 0.000 0.455 508 P HA -0.103 nan 4.420 nan 0.000 0.218 508 P C 1.873 179.164 177.300 -0.016 0.000 1.149 508 P CA 1.202 64.288 63.100 -0.024 0.000 0.817 508 P CB -0.082 31.624 31.700 0.011 0.000 0.785 509 L N -0.805 120.398 121.223 -0.033 0.000 2.127 509 L HA -0.180 4.162 4.340 0.003 0.000 0.211 509 L C 1.946 178.785 176.870 -0.051 0.000 1.089 509 L CA 1.307 56.129 54.840 -0.030 0.000 0.757 509 L CB -0.970 41.066 42.059 -0.037 0.000 0.899 509 L HN 0.066 nan 8.230 nan 0.000 0.434 510 Q N -0.283 119.469 119.800 -0.080 0.000 2.444 510 Q HA 0.090 4.432 4.340 0.003 0.000 0.206 510 Q C 2.088 178.024 176.000 -0.108 0.000 0.948 510 Q CA 0.413 56.152 55.803 -0.108 0.000 0.946 510 Q CB 0.240 28.890 28.738 -0.148 0.000 1.027 510 Q HN 0.591 nan 8.270 nan 0.000 0.513 511 I N -0.318 120.213 120.570 -0.064 0.000 2.226 511 I HA -0.149 4.023 4.170 0.003 0.000 0.245 511 I C 0.989 177.075 176.117 -0.052 0.000 1.100 511 I CA 0.840 62.125 61.300 -0.025 0.000 1.374 511 I CB 0.256 38.312 38.000 0.093 0.000 1.057 511 I HN -0.069 nan 8.210 nan 0.000 0.413 512 V N 0.899 120.768 119.914 -0.075 0.000 2.328 512 V HA 0.305 4.427 4.120 0.003 0.000 0.278 512 V C -0.205 175.808 176.094 -0.135 0.000 1.021 512 V CA -0.202 62.013 62.300 -0.141 0.000 0.838 512 V CB 1.353 33.099 31.823 -0.129 0.000 0.999 512 V HN 0.172 nan 8.190 nan 0.000 0.447 513 S N 8.332 123.951 115.700 -0.136 0.000 2.454 513 S HA 0.611 5.083 4.470 0.003 0.000 0.306 513 S C -1.356 173.204 174.600 -0.065 0.000 1.100 513 S CA -1.493 56.643 58.200 -0.106 0.000 1.087 513 S CB 1.960 65.090 63.200 -0.117 0.000 1.019 513 S HN 0.688 nan 8.310 nan 0.000 0.480 514 P HA -0.227 nan 4.420 nan 0.000 0.217 514 P C 1.286 178.681 177.300 0.158 0.000 1.148 514 P CA 1.200 64.334 63.100 0.057 0.000 0.834 514 P CB 0.142 31.884 31.700 0.070 0.000 0.783 515 Q N 0.339 120.167 119.800 0.046 0.000 1.975 515 Q HA -0.113 4.229 4.340 0.003 0.000 0.205 515 Q C 0.793 176.802 176.000 0.015 0.000 0.990 515 Q CA 2.126 57.935 55.803 0.010 0.000 0.845 515 Q CB -0.129 28.582 28.738 -0.045 0.000 0.913 515 Q HN 0.185 nan 8.270 nan 0.000 0.420 516 S N 1.106 116.774 115.700 -0.053 0.000 2.581 516 S HA 0.107 4.579 4.470 0.003 0.000 0.245 516 S C -0.450 174.148 174.600 -0.002 0.000 1.115 516 S CA 0.126 58.243 58.200 -0.137 0.000 1.093 516 S CB -0.055 63.089 63.200 -0.094 0.000 0.853 516 S HN 0.653 nan 8.310 nan 0.000 0.479 517 N N 1.960 120.677 118.700 0.029 0.000 2.685 517 N HA -0.302 4.440 4.740 0.003 0.000 0.251 517 N C -0.303 175.241 175.510 0.057 0.000 1.020 517 N CA 1.300 54.395 53.050 0.076 0.000 0.762 517 N CB -1.192 37.395 38.487 0.166 0.000 0.958 517 N HN 0.635 nan 8.380 nan 0.000 0.539 518 K N -1.067 119.293 120.400 -0.068 0.000 2.512 518 K HA 0.497 4.818 4.320 0.003 0.000 0.263 518 K C -3.326 173.124 176.600 -0.251 0.000 0.966 518 K CA -1.905 54.258 56.287 -0.207 0.000 0.851 518 K CB 2.426 34.928 32.500 0.003 0.000 1.395 518 K HN -0.068 nan 8.250 nan 0.000 0.440 519 P HA 0.143 nan 4.420 nan 0.000 0.279 519 P C 0.787 178.036 177.300 -0.085 0.000 1.239 519 P CA -0.448 62.549 63.100 -0.172 0.000 0.789 519 P CB 0.737 32.363 31.700 -0.123 0.000 0.933 520 C N 1.786 121.033 119.300 -0.088 0.000 2.912 520 C HA 0.320 4.782 4.460 0.003 0.000 0.274 520 C C 0.992 175.928 174.990 -0.090 0.000 1.248 520 C CA -0.339 58.617 59.018 -0.103 0.000 1.694 520 C CB -0.918 26.718 27.740 -0.174 0.000 2.024 520 C HN 0.359 nan 8.230 nan 0.000 0.605 521 M N 1.820 121.388 119.600 -0.053 0.000 2.368 521 M HA 0.695 5.177 4.480 0.003 0.000 0.311 521 M C 0.382 176.766 176.300 0.139 0.000 1.168 521 M CA 0.469 55.742 55.300 -0.045 0.000 1.044 521 M CB 0.515 32.960 32.600 -0.260 0.000 1.506 521 M HN 0.447 nan 8.290 nan 0.000 0.475 522 G N 0.457 109.369 108.800 0.186 0.000 2.494 522 G HA2 0.575 4.537 3.960 0.003 0.000 0.308 522 G HA3 0.575 4.537 3.960 0.003 0.000 0.308 522 G C -1.973 173.079 174.900 0.254 0.000 1.263 522 G CA -0.665 44.600 45.100 0.275 0.000 0.840 522 G HN 0.464 nan 8.290 nan 0.000 0.479 523 I N 0.743 121.412 120.570 0.164 0.000 2.331 523 I HA 0.580 4.752 4.170 0.003 0.000 0.292 523 I C -0.121 176.044 176.117 0.080 0.000 0.998 523 I CA -0.529 60.846 61.300 0.124 0.000 1.267 523 I CB 1.449 39.497 38.000 0.081 0.000 1.386 523 I HN 0.270 nan 8.210 nan 0.000 0.476 524 V N 6.413 126.376 119.914 0.081 0.000 2.841 524 V HA 0.423 4.544 4.120 0.003 0.000 0.310 524 V C 0.228 176.365 176.094 0.072 0.000 1.090 524 V CA -0.867 61.474 62.300 0.068 0.000 0.930 524 V CB 1.447 33.312 31.823 0.069 0.000 1.014 524 V HN 0.903 nan 8.190 nan 0.000 0.425 525 Q N 1.402 121.241 119.800 0.066 0.000 2.478 525 Q HA -0.402 3.940 4.340 0.003 0.000 0.462 525 Q C 0.954 177.003 176.000 0.082 0.000 0.601 525 Q CA 2.242 58.092 55.803 0.079 0.000 0.953 525 Q CB -1.124 27.669 28.738 0.092 0.000 2.612 525 Q HN 0.800 nan 8.270 nan 0.000 1.022 526 D N 0.636 121.095 120.400 0.098 0.000 2.204 526 D HA -0.190 4.452 4.640 0.003 0.000 0.189 526 D C 2.039 178.382 176.300 0.071 0.000 1.006 526 D CA 2.586 56.645 54.000 0.098 0.000 0.855 526 D CB -0.735 40.113 40.800 0.079 0.000 0.946 526 D HN 0.551 nan 8.370 nan 0.000 0.448 527 T N 0.460 115.052 114.554 0.062 0.000 2.592 527 T HA -0.230 4.122 4.350 0.003 0.000 0.267 527 T C 1.852 176.575 174.700 0.038 0.000 1.060 527 T CA 1.420 63.551 62.100 0.052 0.000 1.167 527 T CB -0.582 68.323 68.868 0.061 0.000 0.863 527 T HN 0.067 nan 8.240 nan 0.000 0.431 528 L N 0.471 121.714 121.223 0.034 0.000 2.141 528 L HA 0.068 4.410 4.340 0.003 0.000 0.209 528 L C 2.576 179.433 176.870 -0.022 0.000 1.094 528 L CA 1.358 56.204 54.840 0.010 0.000 0.763 528 L CB -0.909 41.161 42.059 0.019 0.000 0.908 528 L HN 0.463 nan 8.230 nan 0.000 0.437 529 C N -0.472 118.810 119.300 -0.030 0.000 2.468 529 C HA 0.146 4.608 4.460 0.003 0.000 0.277 529 C C 2.656 177.586 174.990 -0.101 0.000 1.400 529 C CA 0.413 59.355 59.018 -0.126 0.000 1.770 529 C CB -1.652 25.957 27.740 -0.219 0.000 1.905 529 C HN 0.687 nan 8.230 nan 0.000 0.519 530 G N 0.435 109.237 108.800 0.004 0.000 2.425 530 G HA2 -0.134 3.828 3.960 0.003 0.000 0.213 530 G HA3 -0.134 3.828 3.960 0.003 0.000 0.213 530 G C 1.440 176.349 174.900 0.015 0.000 1.201 530 G CA 0.881 46.042 45.100 0.102 0.000 0.799 530 G HN 0.489 nan 8.290 nan 0.000 0.534 531 I N 1.057 121.615 120.570 -0.021 0.000 2.315 531 I HA -0.203 3.969 4.170 0.003 0.000 0.251 531 I C 2.710 178.759 176.117 -0.113 0.000 1.125 531 I CA 1.967 63.224 61.300 -0.073 0.000 1.392 531 I CB -0.073 37.898 38.000 -0.048 0.000 1.065 531 I HN 0.284 nan 8.210 nan 0.000 0.424 532 R N 0.516 120.957 120.500 -0.098 0.000 2.055 532 R HA -0.117 4.224 4.340 0.003 0.000 0.228 532 R C 2.271 178.482 176.300 -0.149 0.000 1.143 532 R CA 1.236 57.269 56.100 -0.112 0.000 0.945 532 R CB -0.435 29.809 30.300 -0.093 0.000 0.841 532 R HN 0.170 nan 8.270 nan 0.000 0.429 533 K N 0.768 121.096 120.400 -0.119 0.000 2.015 533 K HA -0.246 4.076 4.320 0.003 0.000 0.220 533 K C 2.202 178.587 176.600 -0.357 0.000 1.055 533 K CA 2.079 58.314 56.287 -0.087 0.000 0.951 533 K CB -0.736 31.871 32.500 0.179 0.000 0.725 533 K HN 0.242 nan 8.250 nan 0.000 0.449 534 L N 0.926 121.717 121.223 -0.720 0.000 2.123 534 L HA -0.283 4.059 4.340 0.003 0.000 0.217 534 L C 2.296 178.787 176.870 -0.633 0.000 1.081 534 L CA 2.033 56.173 54.840 -1.166 0.000 0.772 534 L CB -0.431 41.134 42.059 -0.825 0.000 0.890 534 L HN 0.199 nan 8.230 nan 0.000 0.437 535 T N -0.860 113.466 114.554 -0.380 0.000 3.040 535 T HA 0.214 4.566 4.350 0.003 0.000 0.252 535 T C 0.675 175.249 174.700 -0.210 0.000 1.064 535 T CA 0.022 61.968 62.100 -0.256 0.000 1.110 535 T CB -0.222 68.537 68.868 -0.182 0.000 0.921 535 T HN 0.318 nan 8.240 nan 0.000 0.480 536 L N 1.282 122.385 121.223 -0.200 0.000 2.514 536 L HA 0.317 4.659 4.340 0.003 0.000 0.280 536 L C 1.531 178.271 176.870 -0.217 0.000 1.223 536 L CA -0.470 54.273 54.840 -0.161 0.000 0.864 536 L CB 0.305 42.289 42.059 -0.124 0.000 1.118 536 L HN -0.008 nan 8.230 nan 0.000 0.494 537 R N 1.016 121.407 120.500 -0.181 0.000 2.179 537 R HA -0.273 4.069 4.340 0.003 0.000 0.238 537 R C 1.704 177.714 176.300 -0.484 0.000 1.119 537 R CA 2.273 58.231 56.100 -0.237 0.000 0.915 537 R CB -0.881 29.346 30.300 -0.120 0.000 0.870 537 R HN 0.917 nan 8.270 nan 0.000 0.432 538 D N 0.450 120.651 120.400 -0.331 0.000 2.276 538 D HA -0.130 4.512 4.640 0.003 0.000 0.200 538 D C -0.157 175.865 176.300 -0.463 0.000 1.004 538 D CA 1.151 54.960 54.000 -0.318 0.000 0.898 538 D CB -0.056 40.666 40.800 -0.130 0.000 0.906 538 D HN 0.246 nan 8.370 nan 0.000 0.457 539 T N 0.698 114.966 114.554 -0.478 0.000 2.723 539 T HA 0.286 4.638 4.350 0.003 0.000 0.297 539 T C -0.188 174.247 174.700 -0.442 0.000 0.925 539 T CA -0.124 61.781 62.100 -0.324 0.000 1.030 539 T CB 0.067 68.776 68.868 -0.266 0.000 0.905 539 T HN -0.091 nan 8.240 nan 0.000 0.502 540 F N 4.047 124.050 119.950 0.088 0.000 2.460 540 F HA 0.486 5.015 4.527 0.003 0.000 0.341 540 F C -0.061 175.840 175.800 0.168 0.000 1.130 540 F CA -1.468 56.600 58.000 0.112 0.000 0.962 540 F CB 1.107 40.173 39.000 0.110 0.000 1.171 540 F HN 0.372 nan 8.300 nan 0.000 0.436 541 I N 0.953 121.746 120.570 0.372 0.000 2.377 541 I HA 0.537 4.709 4.170 0.003 0.000 0.293 541 I C -0.320 175.949 176.117 0.254 0.000 0.987 541 I CA -0.882 60.595 61.300 0.295 0.000 1.185 541 I CB 1.046 39.195 38.000 0.249 0.000 1.341 541 I HN 0.605 nan 8.210 nan 0.000 0.455 542 E N 4.635 124.938 120.200 0.173 0.000 2.469 542 E HA 0.508 4.860 4.350 0.003 0.000 0.246 542 E C 0.705 177.215 176.600 -0.150 0.000 0.969 542 E CA -0.925 55.559 56.400 0.140 0.000 0.881 542 E CB 0.613 30.442 29.700 0.216 0.000 1.320 542 E HN 0.408 nan 8.360 nan 0.000 0.421 543 L N 1.667 122.791 121.223 -0.166 0.000 2.013 543 L HA -0.352 3.990 4.340 0.003 0.000 0.239 543 L C 1.971 178.706 176.870 -0.225 0.000 1.100 543 L CA 3.100 57.767 54.840 -0.288 0.000 0.826 543 L CB -0.977 41.053 42.059 -0.050 0.000 0.921 543 L HN 0.939 nan 8.230 nan 0.000 0.445 544 D N -1.346 118.996 120.400 -0.097 0.000 2.191 544 D HA -0.321 4.321 4.640 0.003 0.000 0.190 544 D C 1.849 178.102 176.300 -0.078 0.000 1.007 544 D CA 2.367 56.327 54.000 -0.067 0.000 0.865 544 D CB -0.825 39.964 40.800 -0.019 0.000 0.929 544 D HN 0.700 nan 8.370 nan 0.000 0.447 545 Q N -0.094 119.670 119.800 -0.059 0.000 2.049 545 Q HA -0.035 4.307 4.340 0.003 0.000 0.198 545 Q C 2.722 178.651 176.000 -0.118 0.000 0.971 545 Q CA 1.164 56.965 55.803 -0.004 0.000 0.833 545 Q CB -0.032 28.761 28.738 0.093 0.000 0.896 545 Q HN 0.262 nan 8.270 nan 0.000 0.434 546 V N 1.637 121.395 119.914 -0.259 0.000 2.343 546 V HA -0.267 3.855 4.120 0.003 0.000 0.247 546 V C 2.310 178.147 176.094 -0.429 0.000 1.051 546 V CA 1.493 63.532 62.300 -0.434 0.000 1.036 546 V CB -0.600 30.688 31.823 -0.892 0.000 0.654 546 V HN 0.339 nan 8.190 nan 0.000 0.451 547 L N 0.038 121.040 121.223 -0.369 0.000 2.012 547 L HA -0.209 4.133 4.340 0.003 0.000 0.210 547 L C 2.493 179.191 176.870 -0.287 0.000 1.073 547 L CA 1.723 56.383 54.840 -0.300 0.000 0.748 547 L CB -0.899 41.047 42.059 -0.189 0.000 0.891 547 L HN 0.400 nan 8.230 nan 0.000 0.431 548 N N 0.029 118.583 118.700 -0.244 0.000 2.106 548 N HA -0.143 4.599 4.740 0.003 0.000 0.188 548 N C 1.955 177.280 175.510 -0.309 0.000 1.029 548 N CA 1.423 54.320 53.050 -0.255 0.000 0.848 548 N CB -0.189 38.123 38.487 -0.290 0.000 1.007 548 N HN 0.314 nan 8.380 nan 0.000 0.423 549 M N 0.408 119.790 119.600 -0.364 0.000 2.065 549 M HA -0.152 4.330 4.480 0.003 0.000 0.259 549 M C 1.837 177.969 176.300 -0.281 0.000 1.069 549 M CA 1.120 56.254 55.300 -0.276 0.000 1.110 549 M CB -0.240 32.241 32.600 -0.198 0.000 1.328 549 M HN 0.050 nan 8.290 nan 0.000 0.405 550 L N -0.695 120.216 121.223 -0.521 0.000 1.997 550 L HA -0.291 4.051 4.340 0.003 0.000 0.216 550 L C 2.484 178.875 176.870 -0.798 0.000 1.074 550 L CA 2.180 56.401 54.840 -1.032 0.000 0.763 550 L CB -1.745 39.313 42.059 -1.667 0.000 0.890 550 L HN 0.351 nan 8.230 nan 0.000 0.434 551 Y N -1.663 118.262 120.300 -0.625 0.000 2.274 551 Y HA -0.249 4.303 4.550 0.003 0.000 0.290 551 Y C 2.404 178.205 175.900 -0.166 0.000 1.145 551 Y CA 0.686 58.640 58.100 -0.243 0.000 1.203 551 Y CB -0.672 37.654 38.460 -0.223 0.000 0.984 551 Y HN 0.125 nan 8.280 nan 0.000 0.533 552 W N 0.046 121.162 121.300 -0.306 0.000 2.342 552 W HA -0.101 4.561 4.660 0.003 0.000 0.297 552 W C 0.577 176.965 176.519 -0.218 0.000 1.213 552 W CA 1.119 58.273 57.345 -0.318 0.000 1.251 552 W CB -0.172 29.079 29.460 -0.348 0.000 1.136 552 W HN -0.349 nan 8.180 nan 0.000 0.526 553 V N 3.361 123.334 119.914 0.098 0.000 2.470 553 V HA -0.027 4.095 4.120 0.003 0.000 0.276 553 V C -0.979 175.184 176.094 0.114 0.000 1.040 553 V CA -0.839 61.525 62.300 0.106 0.000 1.008 553 V CB 0.821 32.692 31.823 0.079 0.000 0.990 553 V HN -0.068 nan 8.190 nan 0.000 0.477 554 P HA 0.020 nan 4.420 nan 0.000 0.231 554 P C 0.258 177.624 177.300 0.110 0.000 1.168 554 P CA 0.598 63.734 63.100 0.060 0.000 0.779 554 P CB 0.339 32.066 31.700 0.044 0.000 0.844 555 D N -1.801 118.681 120.400 0.137 0.000 2.463 555 D HA 0.056 4.698 4.640 0.003 0.000 0.224 555 D C -0.033 176.389 176.300 0.204 0.000 1.174 555 D CA -0.401 53.677 54.000 0.130 0.000 0.829 555 D CB -0.602 40.255 40.800 0.095 0.000 0.993 555 D HN 0.102 nan 8.370 nan 0.000 0.497 556 W N 2.820 124.142 121.300 0.036 0.000 2.193 556 W HA 0.065 4.727 4.660 0.003 0.000 0.338 556 W C 1.072 177.616 176.519 0.043 0.000 1.310 556 W CA -0.759 56.614 57.345 0.046 0.000 1.243 556 W CB 0.674 30.177 29.460 0.070 0.000 1.165 556 W HN 0.053 nan 8.180 nan 0.000 0.566 557 D N 3.234 123.431 120.400 -0.339 0.000 2.342 557 D HA 0.062 4.704 4.640 0.003 0.000 0.221 557 D C 1.389 177.152 176.300 -0.895 0.000 1.101 557 D CA 0.529 54.261 54.000 -0.447 0.000 0.837 557 D CB -0.392 40.311 40.800 -0.161 0.000 0.938 557 D HN 0.766 nan 8.370 nan 0.000 0.508 558 G N 0.869 108.388 108.800 -2.135 0.000 2.175 558 G HA2 -0.290 3.672 3.960 0.003 0.000 0.265 558 G HA3 -0.290 3.672 3.960 0.003 0.000 0.265 558 G C 0.456 174.743 174.900 -1.023 0.000 0.979 558 G CA 0.703 44.585 45.100 -2.031 0.000 0.663 558 G HN 0.887 nan 8.290 nan 0.000 0.533 559 V N -0.452 119.159 119.914 -0.506 0.000 2.294 559 V HA 0.679 4.801 4.120 0.003 0.000 0.272 559 V C 0.768 177.107 176.094 0.409 0.000 1.027 559 V CA -1.947 60.368 62.300 0.026 0.000 0.823 559 V CB 0.804 32.636 31.823 0.014 0.000 1.030 559 V HN 0.305 nan 8.190 nan 0.000 0.457 560 I N 7.220 128.087 120.570 0.494 0.000 3.015 560 I HA 0.052 4.224 4.170 0.003 0.000 0.309 560 I C -1.523 174.824 176.117 0.383 0.000 1.229 560 I CA -0.492 61.079 61.300 0.453 0.000 1.430 560 I CB -0.408 37.802 38.000 0.350 0.000 1.347 560 I HN 0.519 nan 8.210 nan 0.000 0.544 561 P HA 0.131 nan 4.420 nan 0.000 0.279 561 P C -0.337 177.148 177.300 0.308 0.000 1.239 561 P CA -0.354 62.944 63.100 0.330 0.000 0.789 561 P CB 0.395 32.289 31.700 0.324 0.000 0.933 562 T N 5.104 119.729 114.554 0.118 0.000 2.902 562 T HA 0.185 4.537 4.350 0.003 0.000 0.301 562 T C -2.050 172.510 174.700 -0.233 0.000 1.012 562 T CA -0.351 61.732 62.100 -0.028 0.000 1.151 562 T CB -0.659 68.191 68.868 -0.029 0.000 0.946 562 T HN 0.374 nan 8.240 nan 0.000 0.542 563 P HA 0.348 nan 4.420 nan 0.000 0.279 563 P C 0.356 177.315 177.300 -0.568 0.000 1.239 563 P CA -0.542 61.890 63.100 -1.113 0.000 0.789 563 P CB 0.691 31.288 31.700 -1.839 0.000 0.933 564 A N 3.862 126.433 122.820 -0.414 0.000 1.972 564 A HA -0.054 4.268 4.320 0.003 0.000 0.219 564 A C 1.048 178.476 177.584 -0.261 0.000 1.169 564 A CA 1.215 53.119 52.037 -0.222 0.000 0.635 564 A CB -0.719 18.231 19.000 -0.083 0.000 0.810 564 A HN 0.536 nan 8.150 nan 0.000 0.446 565 I N -0.454 119.892 120.570 -0.374 0.000 2.412 565 I HA 0.338 4.509 4.170 0.003 0.000 0.296 565 I C 0.136 176.045 176.117 -0.347 0.000 0.987 565 I CA -0.148 60.947 61.300 -0.341 0.000 1.180 565 I CB 1.788 39.538 38.000 -0.416 0.000 1.340 565 I HN 0.151 nan 8.210 nan 0.000 0.455 566 I N 4.841 125.268 120.570 -0.239 0.000 4.557 566 I HA 0.008 4.180 4.170 0.003 0.000 0.333 566 I C 1.410 177.453 176.117 -0.123 0.000 1.332 566 I CA -0.171 61.013 61.300 -0.193 0.000 1.240 566 I CB 0.034 37.938 38.000 -0.159 0.000 1.312 566 I HN 0.563 nan 8.210 nan 0.000 0.457 567 K N 2.705 123.036 120.400 -0.116 0.000 3.044 567 K HA 0.220 4.542 4.320 0.003 0.000 0.336 567 K C -1.279 175.286 176.600 -0.058 0.000 1.014 567 K CA -0.190 56.050 56.287 -0.078 0.000 1.380 567 K CB -1.726 30.728 32.500 -0.077 0.000 1.480 567 K HN -0.219 nan 8.250 nan 0.000 0.595 568 P HA -0.127 nan 4.420 nan 0.000 0.220 568 P C -0.240 177.048 177.300 -0.019 0.000 1.144 568 P CA 1.539 64.623 63.100 -0.026 0.000 0.800 568 P CB 0.158 31.847 31.700 -0.019 0.000 0.772 569 K N -0.428 119.953 120.400 -0.032 0.000 2.508 569 K HA 0.468 4.790 4.320 0.003 0.000 0.260 569 K C -2.998 173.574 176.600 -0.046 0.000 0.949 569 K CA -2.490 53.788 56.287 -0.014 0.000 0.834 569 K CB 2.665 35.167 32.500 0.004 0.000 1.365 569 K HN -0.259 nan 8.250 nan 0.000 0.437 570 P HA 0.381 nan 4.420 nan 0.000 0.296 570 P C -1.407 175.909 177.300 0.027 0.000 1.306 570 P CA -0.550 62.500 63.100 -0.084 0.000 0.818 570 P CB 1.063 32.740 31.700 -0.039 0.000 0.969 571 L N 2.681 123.813 121.223 -0.152 0.000 2.424 571 L HA 0.578 4.920 4.340 0.003 0.000 0.258 571 L C -0.416 176.463 176.870 0.014 0.000 0.995 571 L CA -0.448 54.471 54.840 0.130 0.000 0.821 571 L CB 2.036 44.050 42.059 -0.075 0.000 1.383 571 L HN 0.390 nan 8.230 nan 0.000 0.410 572 W N 0.448 121.763 121.300 0.026 0.000 2.570 572 W HA 0.559 5.221 4.660 0.004 0.000 0.337 572 W C 0.300 176.963 176.519 0.240 0.000 1.067 572 W CA -0.773 56.619 57.345 0.078 0.000 1.229 572 W CB 2.132 31.628 29.460 0.059 0.000 1.355 572 W HN 0.438 nan 8.180 nan 0.000 0.555 573 S N 1.017 116.990 115.700 0.456 0.000 2.585 573 S HA 0.246 4.718 4.470 0.003 0.000 0.273 573 S C 1.316 176.020 174.600 0.174 0.000 1.339 573 S CA 0.493 58.952 58.200 0.432 0.000 1.028 573 S CB 1.165 64.547 63.200 0.303 0.000 0.906 573 S HN 0.649 nan 8.310 nan 0.000 0.528 574 G N 3.868 112.653 108.800 -0.025 0.000 2.599 574 G HA2 -0.282 3.680 3.960 0.003 0.000 0.219 574 G HA3 -0.282 3.680 3.960 0.003 0.000 0.219 574 G C 1.344 176.172 174.900 -0.120 0.000 1.193 574 G CA 1.309 46.296 45.100 -0.188 0.000 0.778 574 G HN 0.853 nan 8.290 nan 0.000 0.589 575 K N -0.306 120.040 120.400 -0.090 0.000 2.032 575 K HA -0.248 4.074 4.320 0.003 0.000 0.218 575 K C 2.513 179.112 176.600 -0.002 0.000 1.054 575 K CA 1.540 57.795 56.287 -0.053 0.000 0.941 575 K CB -0.481 32.001 32.500 -0.030 0.000 0.720 575 K HN 0.189 nan 8.250 nan 0.000 0.449 576 Q N 0.239 120.076 119.800 0.061 0.000 2.167 576 Q HA -0.253 4.088 4.340 0.003 0.000 0.218 576 Q C 2.227 178.289 176.000 0.105 0.000 1.033 576 Q CA 2.629 58.503 55.803 0.118 0.000 0.918 576 Q CB -0.415 28.463 28.738 0.233 0.000 1.019 576 Q HN 0.650 nan 8.270 nan 0.000 0.417 577 I N -3.376 117.234 120.570 0.067 0.000 3.445 577 I HA -0.007 4.164 4.170 0.003 0.000 0.288 577 I C 2.122 178.229 176.117 -0.017 0.000 1.198 577 I CA 0.054 61.370 61.300 0.026 0.000 1.417 577 I CB -0.530 37.452 38.000 -0.029 0.000 1.205 577 I HN 0.011 nan 8.210 nan 0.000 0.448 578 L N 1.936 123.134 121.223 -0.040 0.000 2.085 578 L HA -0.262 4.080 4.340 0.003 0.000 0.218 578 L C 2.304 179.156 176.870 -0.030 0.000 1.080 578 L CA 2.156 56.964 54.840 -0.052 0.000 0.776 578 L CB -1.119 40.891 42.059 -0.081 0.000 0.891 578 L HN 0.301 nan 8.230 nan 0.000 0.437 579 S N -1.253 114.439 115.700 -0.014 0.000 2.469 579 S HA -0.113 4.359 4.470 0.003 0.000 0.238 579 S C 1.938 176.551 174.600 0.022 0.000 0.998 579 S CA 1.056 59.255 58.200 -0.001 0.000 0.957 579 S CB -0.500 62.709 63.200 0.014 0.000 0.764 579 S HN 0.409 nan 8.310 nan 0.000 0.514 580 V N 1.426 121.360 119.914 0.034 0.000 2.626 580 V HA -0.144 3.978 4.120 0.003 0.000 0.252 580 V C 2.431 178.561 176.094 0.060 0.000 1.067 580 V CA 1.579 63.920 62.300 0.069 0.000 1.081 580 V CB -0.877 30.972 31.823 0.044 0.000 0.686 580 V HN 0.571 nan 8.190 nan 0.000 0.468 581 A N -0.490 122.342 122.820 0.020 0.000 1.975 581 A HA 0.155 4.477 4.320 0.003 0.000 0.215 581 A C 1.143 178.723 177.584 -0.006 0.000 1.170 581 A CA 0.320 52.364 52.037 0.011 0.000 0.656 581 A CB -0.125 18.869 19.000 -0.010 0.000 0.821 581 A HN 0.383 nan 8.150 nan 0.000 0.449 582 I N 1.413 121.973 120.570 -0.018 0.000 2.533 582 I HA 0.147 4.318 4.170 0.003 0.000 0.284 582 I C -2.226 173.876 176.117 -0.026 0.000 1.109 582 I CA -1.835 59.441 61.300 -0.039 0.000 1.412 582 I CB -0.096 37.873 38.000 -0.051 0.000 1.396 582 I HN 0.035 nan 8.210 nan 0.000 0.543 583 P HA 0.138 nan 4.420 nan 0.000 0.306 583 P C -0.604 176.661 177.300 -0.057 0.000 1.301 583 P CA -0.308 62.772 63.100 -0.034 0.000 0.744 583 P CB 0.519 32.196 31.700 -0.039 0.000 1.400 584 N N -1.224 117.440 118.700 -0.060 0.000 2.314 584 N HA 0.434 5.176 4.740 0.003 0.000 0.304 584 N C 0.673 176.107 175.510 -0.127 0.000 1.073 584 N CA 0.066 53.068 53.050 -0.080 0.000 0.822 584 N CB 1.276 39.739 38.487 -0.041 0.000 1.280 584 N HN 0.715 nan 8.380 nan 0.000 0.489 585 G N 0.570 109.246 108.800 -0.207 0.000 2.143 585 G HA2 -0.220 3.742 3.960 0.003 0.000 0.249 585 G HA3 -0.220 3.742 3.960 0.003 0.000 0.249 585 G C -0.227 174.290 174.900 -0.637 0.000 0.981 585 G CA -0.256 44.661 45.100 -0.305 0.000 0.665 585 G HN 0.485 nan 8.290 nan 0.000 0.528 586 I N 2.767 123.002 120.570 -0.557 0.000 2.312 586 I HA 0.385 4.557 4.170 0.003 0.000 0.291 586 I C 0.342 176.129 176.117 -0.548 0.000 1.031 586 I CA -0.458 60.586 61.300 -0.427 0.000 1.293 586 I CB 0.117 37.995 38.000 -0.204 0.000 1.403 586 I HN 0.166 nan 8.210 nan 0.000 0.484 587 H N 6.293 125.348 119.070 -0.024 0.000 2.747 587 H HA 0.652 5.210 4.556 0.003 0.000 0.371 587 H C -1.083 174.222 175.328 -0.039 0.000 1.161 587 H CA -0.980 55.049 56.048 -0.032 0.000 1.167 587 H CB 3.198 32.949 29.762 -0.017 0.000 1.732 587 H HN 0.339 nan 8.280 nan 0.000 0.544 588 L N 1.616 122.875 121.223 0.060 0.000 2.464 588 L HA 0.246 4.588 4.340 0.003 0.000 0.266 588 L C -1.068 175.791 176.870 -0.018 0.000 0.965 588 L CA -0.355 54.487 54.840 0.002 0.000 0.833 588 L CB 2.181 44.213 42.059 -0.045 0.000 1.296 588 L HN 0.513 nan 8.230 nan 0.000 0.405 589 Q N 4.133 123.945 119.800 0.020 0.000 2.333 589 Q HA 0.422 4.764 4.340 0.003 0.000 0.268 589 Q C -0.356 175.694 176.000 0.082 0.000 1.007 589 Q CA -0.241 55.600 55.803 0.064 0.000 0.810 589 Q CB 2.761 31.577 28.738 0.130 0.000 1.264 589 Q HN 0.794 nan 8.270 nan 0.000 0.452 590 R N 2.246 122.780 120.500 0.057 0.000 1.933 590 R HA 0.293 4.635 4.340 0.003 0.000 0.167 590 R C -0.653 175.803 176.300 0.259 0.000 1.823 590 R CA 0.205 56.358 56.100 0.088 0.000 1.418 590 R CB 0.597 30.897 30.300 -0.000 0.000 1.174 590 R HN 0.539 nan 8.270 nan 0.000 0.476 591 F N 1.843 121.843 119.950 0.083 0.000 2.155 591 F HA -0.199 4.330 4.527 0.003 0.000 0.483 591 F C -0.514 175.311 175.800 0.042 0.000 1.244 591 F CA 0.370 58.419 58.000 0.081 0.000 1.560 591 F CB -0.478 38.560 39.000 0.063 0.000 2.469 591 F HN 0.377 nan 8.300 nan 0.000 0.732 592 D N 2.694 123.193 120.400 0.164 0.000 2.539 592 D HA 0.178 4.820 4.640 0.003 0.000 0.276 592 D C 1.321 177.681 176.300 0.100 0.000 1.206 592 D CA -0.392 53.668 54.000 0.101 0.000 1.081 592 D CB 0.526 41.357 40.800 0.051 0.000 1.142 592 D HN 0.599 nan 8.370 nan 0.000 0.595 593 E N 0.150 120.383 120.200 0.054 0.000 2.068 593 E HA -0.191 4.161 4.350 0.003 0.000 0.207 593 E C 1.323 177.951 176.600 0.046 0.000 1.032 593 E CA 1.363 57.786 56.400 0.038 0.000 0.839 593 E CB -0.171 29.538 29.700 0.014 0.000 0.758 593 E HN 0.495 nan 8.360 nan 0.000 0.457 594 G N 0.563 109.386 108.800 0.038 0.000 3.518 594 G HA2 0.060 4.022 3.960 0.003 0.000 0.273 594 G HA3 0.060 4.022 3.960 0.003 0.000 0.273 594 G C -0.287 174.638 174.900 0.040 0.000 1.199 594 G CA -0.230 44.888 45.100 0.030 0.000 0.899 594 G HN -0.002 nan 8.290 nan 0.000 0.533 595 T N 0.945 115.565 114.554 0.110 0.000 2.771 595 T HA 0.486 4.838 4.350 0.003 0.000 0.291 595 T C 0.184 175.068 174.700 0.306 0.000 0.954 595 T CA -0.130 62.045 62.100 0.127 0.000 1.045 595 T CB 1.492 70.421 68.868 0.102 0.000 0.917 595 T HN 0.060 nan 8.240 nan 0.000 0.484 596 T N 2.251 116.876 114.554 0.119 0.000 4.076 596 T HA 0.246 4.598 4.350 0.003 0.000 0.222 596 T C 0.860 175.575 174.700 0.024 0.000 1.008 596 T CA -0.714 61.480 62.100 0.156 0.000 1.486 596 T CB -0.528 68.363 68.868 0.037 0.000 0.828 596 T HN 0.545 nan 8.240 nan 0.000 0.625 597 L N -0.623 120.616 121.223 0.026 0.000 4.659 597 L HA -0.307 4.035 4.340 0.003 0.000 0.450 597 L C 1.284 177.950 176.870 -0.341 0.000 1.075 597 L CA 1.416 56.171 54.840 -0.141 0.000 0.935 597 L CB -1.436 40.697 42.059 0.124 0.000 1.723 597 L HN 0.530 nan 8.230 nan 0.000 1.053 598 L N -1.904 119.100 121.223 -0.365 0.000 2.624 598 L HA 0.180 4.521 4.340 0.003 0.000 0.222 598 L C 0.978 177.588 176.870 -0.434 0.000 1.046 598 L CA 0.704 55.350 54.840 -0.324 0.000 0.872 598 L CB 0.344 42.308 42.059 -0.157 0.000 1.190 598 L HN 0.407 nan 8.230 nan 0.000 0.487 599 S N 0.340 115.785 115.700 -0.425 0.000 3.667 599 S HA -0.081 4.391 4.470 0.003 0.000 0.405 599 S C -1.715 172.776 174.600 -0.182 0.000 0.913 599 S CA 0.303 58.300 58.200 -0.338 0.000 1.288 599 S CB -1.516 61.388 63.200 -0.492 0.000 0.905 599 S HN 0.309 nan 8.310 nan 0.000 0.550 600 P HA -0.008 nan 4.420 nan 0.000 0.234 600 P C 0.520 177.787 177.300 -0.055 0.000 1.167 600 P CA 0.798 63.852 63.100 -0.077 0.000 0.763 600 P CB 0.078 31.744 31.700 -0.058 0.000 0.835 601 K N -0.218 120.149 120.400 -0.056 0.000 2.455 601 K HA 0.067 4.389 4.320 0.003 0.000 0.206 601 K C 0.049 176.627 176.600 -0.037 0.000 1.027 601 K CA -0.320 55.944 56.287 -0.038 0.000 1.113 601 K CB -0.111 32.373 32.500 -0.028 0.000 0.850 601 K HN -0.184 nan 8.250 nan 0.000 0.503 602 D N 2.028 122.398 120.400 -0.049 0.000 2.702 602 D HA -0.179 4.463 4.640 0.003 0.000 0.233 602 D C -0.585 175.717 176.300 0.003 0.000 1.164 602 D CA 0.680 54.666 54.000 -0.023 0.000 0.638 602 D CB -0.867 39.925 40.800 -0.014 0.000 1.041 602 D HN 0.221 nan 8.370 nan 0.000 0.422 603 N N -0.219 118.470 118.700 -0.018 0.000 2.364 603 N HA 0.583 5.325 4.740 0.003 0.000 0.264 603 N C 1.244 176.785 175.510 0.051 0.000 1.263 603 N CA 0.658 53.711 53.050 0.004 0.000 0.959 603 N CB 0.250 38.733 38.487 -0.008 0.000 1.204 603 N HN 0.426 nan 8.380 nan 0.000 0.550 604 G N -0.226 108.595 108.800 0.036 0.000 2.682 604 G HA2 -0.178 3.784 3.960 0.003 0.000 0.256 604 G HA3 -0.178 3.784 3.960 0.003 0.000 0.256 604 G C -0.518 174.392 174.900 0.018 0.000 1.333 604 G CA 0.500 45.613 45.100 0.022 0.000 0.904 604 G HN 0.687 nan 8.290 nan 0.000 0.569 605 M N -1.100 118.419 119.600 -0.134 0.000 2.274 605 M HA 0.667 5.149 4.480 0.003 0.000 0.272 605 M C -1.740 174.226 176.300 -0.556 0.000 1.053 605 M CA -0.655 54.454 55.300 -0.320 0.000 0.978 605 M CB 1.748 34.246 32.600 -0.170 0.000 1.836 605 M HN 1.387 nan 8.290 nan 0.000 0.484 606 L N 6.697 127.326 121.223 -0.990 0.000 2.343 606 L HA 0.791 5.133 4.340 0.003 0.000 0.278 606 L C -1.982 174.615 176.870 -0.455 0.000 0.996 606 L CA -0.195 54.182 54.840 -0.772 0.000 0.831 606 L CB 1.403 42.777 42.059 -1.142 0.000 1.232 606 L HN 0.806 nan 8.230 nan 0.000 0.413 607 I N 6.213 126.650 120.570 -0.222 0.000 2.436 607 I HA 0.454 4.626 4.170 0.003 0.000 0.289 607 I C -0.794 175.325 176.117 0.004 0.000 1.010 607 I CA -0.460 60.771 61.300 -0.115 0.000 1.098 607 I CB 1.802 39.744 38.000 -0.095 0.000 1.266 607 I HN 0.399 nan 8.210 nan 0.000 0.434 608 I N 5.339 125.934 120.570 0.042 0.000 2.382 608 I HA 0.203 4.375 4.170 0.003 0.000 0.285 608 I C -0.248 175.983 176.117 0.190 0.000 1.007 608 I CA -0.285 61.127 61.300 0.186 0.000 1.142 608 I CB 1.107 39.166 38.000 0.098 0.000 1.289 608 I HN 0.677 nan 8.210 nan 0.000 0.453 609 D N 5.828 126.398 120.400 0.283 0.000 3.038 609 D HA -0.177 4.465 4.640 0.003 0.000 0.229 609 D C 1.298 177.583 176.300 -0.024 0.000 1.182 609 D CA 1.451 55.472 54.000 0.035 0.000 0.852 609 D CB -0.531 40.391 40.800 0.202 0.000 0.932 609 D HN 1.111 nan 8.370 nan 0.000 0.406 610 G N 1.113 109.857 108.800 -0.094 0.000 2.205 610 G HA2 -0.334 3.628 3.960 0.003 0.000 0.269 610 G HA3 -0.334 3.628 3.960 0.003 0.000 0.269 610 G C 0.180 175.070 174.900 -0.015 0.000 0.977 610 G CA 0.995 46.064 45.100 -0.052 0.000 0.652 610 G HN 0.664 nan 8.290 nan 0.000 0.539 611 Q N -0.480 119.317 119.800 -0.004 0.000 2.423 611 Q HA 0.625 4.967 4.340 0.003 0.000 0.278 611 Q C 0.189 176.178 176.000 -0.018 0.000 1.097 611 Q CA -0.778 55.027 55.803 0.004 0.000 0.809 611 Q CB 2.436 31.191 28.738 0.028 0.000 1.391 611 Q HN 0.758 nan 8.270 nan 0.000 0.428 612 I N -0.893 119.658 120.570 -0.032 0.000 2.392 612 I HA 0.332 4.503 4.170 0.003 0.000 0.295 612 I C 0.032 176.107 176.117 -0.070 0.000 0.985 612 I CA -0.638 60.617 61.300 -0.076 0.000 1.221 612 I CB 0.840 38.785 38.000 -0.091 0.000 1.366 612 I HN 0.462 nan 8.210 nan 0.000 0.467 613 I N 5.108 125.599 120.570 -0.132 0.000 2.512 613 I HA 0.221 4.393 4.170 0.003 0.000 0.247 613 I C 0.567 176.698 176.117 0.023 0.000 1.094 613 I CA 1.207 62.470 61.300 -0.061 0.000 1.427 613 I CB -0.560 37.409 38.000 -0.052 0.000 1.149 613 I HN 0.769 nan 8.210 nan 0.000 0.438 614 F N -0.483 119.436 119.950 -0.052 0.000 2.715 614 F HA 0.760 5.289 4.527 0.003 0.000 0.318 614 F C -0.160 175.586 175.800 -0.091 0.000 1.141 614 F CA -1.160 56.798 58.000 -0.069 0.000 0.950 614 F CB 0.965 39.918 39.000 -0.079 0.000 1.374 614 F HN 0.127 nan 8.300 nan 0.000 0.477 615 G N 0.645 109.605 108.800 0.266 0.000 3.067 615 G HA2 0.216 4.178 3.960 0.003 0.000 0.686 615 G HA3 0.216 4.178 3.960 0.003 0.000 0.686 615 G C -1.565 173.334 174.900 -0.002 0.000 1.119 615 G CA -0.697 44.481 45.100 0.130 0.000 0.790 615 G HN 1.136 nan 8.290 nan 0.000 0.605 616 V N 2.655 122.565 119.914 -0.008 0.000 2.521 616 V HA 0.308 4.430 4.120 0.003 0.000 0.286 616 V C 1.342 177.401 176.094 -0.057 0.000 1.034 616 V CA -0.392 61.880 62.300 -0.046 0.000 1.045 616 V CB 1.283 33.079 31.823 -0.044 0.000 0.974 616 V HN 0.883 nan 8.190 nan 0.000 0.480 617 V N 5.934 125.803 119.914 -0.075 0.000 2.508 617 V HA 0.452 4.574 4.120 0.003 0.000 0.281 617 V C 0.195 176.252 176.094 -0.061 0.000 1.041 617 V CA -0.027 62.230 62.300 -0.072 0.000 1.016 617 V CB 0.456 32.230 31.823 -0.082 0.000 0.984 617 V HN 1.171 nan 8.190 nan 0.000 0.478 618 E N 3.126 123.299 120.200 -0.046 0.000 2.166 618 E HA 0.385 4.737 4.350 0.003 0.000 0.223 618 E C 0.576 177.164 176.600 -0.020 0.000 1.174 618 E CA -0.929 55.450 56.400 -0.035 0.000 0.901 618 E CB 0.183 29.862 29.700 -0.034 0.000 1.893 618 E HN 0.052 nan 8.360 nan 0.000 0.487 619 K N 0.714 121.108 120.400 -0.010 0.000 2.077 619 K HA -0.176 4.146 4.320 0.003 0.000 0.213 619 K C 1.490 178.092 176.600 0.004 0.000 1.051 619 K CA 2.501 58.789 56.287 0.002 0.000 0.929 619 K CB -0.336 32.168 32.500 0.007 0.000 0.715 619 K HN 0.441 nan 8.250 nan 0.000 0.451 620 K N -0.936 119.464 120.400 -0.000 0.000 2.209 620 K HA -0.077 4.245 4.320 0.003 0.000 0.204 620 K C 1.925 178.525 176.600 -0.001 0.000 1.048 620 K CA 1.690 57.979 56.287 0.003 0.000 0.940 620 K CB -0.045 32.456 32.500 0.002 0.000 0.729 620 K HN 0.259 nan 8.250 nan 0.000 0.451 621 T N 0.017 114.563 114.554 -0.014 0.000 2.904 621 T HA -0.028 4.324 4.350 0.003 0.000 0.243 621 T C 1.753 176.438 174.700 -0.024 0.000 1.024 621 T CA 0.540 62.625 62.100 -0.026 0.000 1.158 621 T CB -0.009 68.831 68.868 -0.047 0.000 0.867 621 T HN 0.001 nan 8.240 nan 0.000 0.429 622 V N 1.468 121.366 119.914 -0.025 0.000 3.647 622 V HA 0.391 4.513 4.120 0.003 0.000 0.279 622 V C 1.458 177.552 176.094 0.001 0.000 1.314 622 V CA 0.482 62.764 62.300 -0.029 0.000 1.125 622 V CB -0.765 31.036 31.823 -0.037 0.000 0.907 622 V HN 0.502 nan 8.190 nan 0.000 0.434 623 G N 0.706 109.514 108.800 0.013 0.000 2.522 623 G HA2 0.054 4.016 3.960 0.003 0.000 0.223 623 G HA3 0.054 4.016 3.960 0.003 0.000 0.223 623 G C 0.584 175.514 174.900 0.050 0.000 1.565 623 G CA 0.544 45.663 45.100 0.032 0.000 1.053 623 G HN 0.814 nan 8.290 nan 0.000 0.547 624 S N -0.730 114.996 115.700 0.044 0.000 2.383 624 S HA 0.541 5.013 4.470 0.003 0.000 0.227 624 S C 0.298 174.919 174.600 0.034 0.000 1.261 624 S CA -0.455 57.770 58.200 0.041 0.000 1.262 624 S CB 0.377 63.594 63.200 0.027 0.000 0.992 624 S HN 0.328 nan 8.310 nan 0.000 0.491 625 S N 1.871 117.597 115.700 0.044 0.000 2.640 625 S HA 0.290 4.762 4.470 0.003 0.000 0.262 625 S C 1.268 175.924 174.600 0.093 0.000 1.232 625 S CA -0.736 57.497 58.200 0.055 0.000 0.988 625 S CB 0.394 63.621 63.200 0.046 0.000 1.034 625 S HN 0.592 nan 8.310 nan 0.000 0.569 626 N N 0.700 119.469 118.700 0.115 0.000 2.197 626 N HA -0.015 4.727 4.740 0.003 0.000 0.184 626 N C 1.716 177.361 175.510 0.224 0.000 1.030 626 N CA 1.059 54.231 53.050 0.202 0.000 0.851 626 N CB -0.543 38.027 38.487 0.138 0.000 1.003 626 N HN 0.650 nan 8.380 nan 0.000 0.430 627 G N -0.029 108.831 108.800 0.101 0.000 2.551 627 G HA2 0.075 4.037 3.960 0.003 0.000 0.216 627 G HA3 0.075 4.037 3.960 0.003 0.000 0.216 627 G C 0.755 175.686 174.900 0.052 0.000 1.137 627 G CA 0.388 45.515 45.100 0.046 0.000 0.798 627 G HN 0.430 nan 8.290 nan 0.000 0.536 628 G N 0.099 108.943 108.800 0.074 0.000 2.669 628 G HA2 -0.018 3.944 3.960 0.003 0.000 0.227 628 G HA3 -0.018 3.944 3.960 0.003 0.000 0.227 628 G C 1.033 175.955 174.900 0.037 0.000 1.210 628 G CA 0.069 45.198 45.100 0.049 0.000 0.855 628 G HN 0.390 nan 8.290 nan 0.000 0.551 629 L N 1.705 122.921 121.223 -0.012 0.000 2.187 629 L HA -0.122 4.220 4.340 0.003 0.000 0.213 629 L C 2.399 179.239 176.870 -0.051 0.000 1.100 629 L CA 1.434 56.248 54.840 -0.043 0.000 0.765 629 L CB -0.126 41.888 42.059 -0.075 0.000 0.904 629 L HN 0.613 nan 8.230 nan 0.000 0.437 630 I N -1.702 118.840 120.570 -0.047 0.000 2.333 630 I HA -0.202 3.970 4.170 0.003 0.000 0.246 630 I C 2.471 178.620 176.117 0.053 0.000 1.106 630 I CA 1.111 62.369 61.300 -0.070 0.000 1.411 630 I CB -1.133 36.828 38.000 -0.066 0.000 1.082 630 I HN 0.221 nan 8.210 nan 0.000 0.420 631 H N 1.071 120.133 119.070 -0.014 0.000 2.423 631 H HA -0.006 4.552 4.556 0.003 0.000 0.297 631 H C 2.072 177.402 175.328 0.005 0.000 1.075 631 H CA 1.417 57.470 56.048 0.008 0.000 1.342 631 H CB 0.036 29.809 29.762 0.020 0.000 1.395 631 H HN 0.146 nan 8.280 nan 0.000 0.530 632 V N -0.436 119.536 119.914 0.097 0.000 2.255 632 V HA -0.173 3.949 4.120 0.003 0.000 0.243 632 V C 2.823 178.934 176.094 0.027 0.000 1.038 632 V CA 1.386 63.696 62.300 0.017 0.000 1.008 632 V CB -0.955 30.859 31.823 -0.016 0.000 0.645 632 V HN 0.190 nan 8.190 nan 0.000 0.449 633 V N 0.952 120.866 119.914 0.001 0.000 2.469 633 V HA -0.280 3.842 4.120 0.003 0.000 0.251 633 V C 2.615 178.718 176.094 0.014 0.000 1.064 633 V CA 2.647 64.934 62.300 -0.022 0.000 1.066 633 V CB -1.248 30.531 31.823 -0.074 0.000 0.667 633 V HN 0.716 nan 8.190 nan 0.000 0.461 634 T N -0.855 113.729 114.554 0.050 0.000 2.812 634 T HA -0.123 4.229 4.350 0.003 0.000 0.264 634 T C 2.115 176.872 174.700 0.095 0.000 1.042 634 T CA 0.851 62.997 62.100 0.077 0.000 1.140 634 T CB -0.197 68.729 68.868 0.096 0.000 0.870 634 T HN 0.251 nan 8.240 nan 0.000 0.445 635 R N 0.934 121.506 120.500 0.120 0.000 2.062 635 R HA 0.009 4.351 4.340 0.003 0.000 0.231 635 R C 2.563 178.904 176.300 0.070 0.000 1.136 635 R CA 1.550 57.717 56.100 0.111 0.000 0.948 635 R CB -0.609 29.752 30.300 0.101 0.000 0.845 635 R HN 0.426 nan 8.270 nan 0.000 0.430 636 E N 0.683 120.911 120.200 0.047 0.000 2.046 636 E HA -0.105 4.247 4.350 0.003 0.000 0.190 636 E C 1.720 178.339 176.600 0.031 0.000 0.982 636 E CA 1.448 57.868 56.400 0.033 0.000 0.800 636 E CB 0.166 29.873 29.700 0.012 0.000 0.756 636 E HN -0.018 nan 8.360 nan 0.000 0.449 637 K N -0.901 119.512 120.400 0.021 0.000 2.202 637 K HA 0.253 4.575 4.320 0.003 0.000 0.201 637 K C 0.549 177.167 176.600 0.029 0.000 1.051 637 K CA 0.878 57.175 56.287 0.017 0.000 0.977 637 K CB 0.933 33.434 32.500 0.000 0.000 0.792 637 K HN 0.243 nan 8.250 nan 0.000 0.469 638 G N 0.584 109.407 108.800 0.038 0.000 2.355 638 G HA2 -0.103 3.859 3.960 0.003 0.000 0.619 638 G HA3 -0.103 3.859 3.960 0.003 0.000 0.619 638 G C -2.620 172.310 174.900 0.051 0.000 1.337 638 G CA -0.480 44.647 45.100 0.046 0.000 0.993 638 G HN -0.202 nan 8.290 nan 0.000 0.599 639 P HA -0.085 nan 4.420 nan 0.000 0.210 639 P C 1.603 178.940 177.300 0.062 0.000 1.192 639 P CA 1.642 64.778 63.100 0.060 0.000 0.913 639 P CB -0.088 31.639 31.700 0.045 0.000 0.774 640 Q N -0.113 119.716 119.800 0.048 0.000 2.146 640 Q HA -0.170 4.172 4.340 0.003 0.000 0.217 640 Q C 2.276 178.309 176.000 0.054 0.000 1.023 640 Q CA 1.809 57.640 55.803 0.047 0.000 0.903 640 Q CB -1.987 26.772 28.738 0.034 0.000 0.990 640 Q HN 0.192 nan 8.270 nan 0.000 0.413 641 V N -0.320 119.620 119.914 0.043 0.000 2.759 641 V HA -0.184 3.938 4.120 0.003 0.000 0.256 641 V C 2.384 178.495 176.094 0.027 0.000 1.080 641 V CA 1.499 63.818 62.300 0.032 0.000 1.101 641 V CB -0.625 31.208 31.823 0.017 0.000 0.698 641 V HN 0.472 nan 8.190 nan 0.000 0.477 642 C N 0.315 119.641 119.300 0.043 0.000 2.527 642 C HA 0.326 4.788 4.460 0.003 0.000 0.280 642 C C 2.965 178.043 174.990 0.148 0.000 1.353 642 C CA 0.493 59.524 59.018 0.022 0.000 1.749 642 C CB -0.832 26.932 27.740 0.040 0.000 2.088 642 C HN 0.539 nan 8.230 nan 0.000 0.508 643 A N 0.220 123.173 122.820 0.221 0.000 2.067 643 A HA -0.090 4.232 4.320 0.003 0.000 0.219 643 A C 2.061 179.785 177.584 0.234 0.000 1.158 643 A CA 1.877 54.092 52.037 0.297 0.000 0.661 643 A CB -0.467 18.621 19.000 0.147 0.000 0.801 643 A HN 0.605 nan 8.150 nan 0.000 0.452 644 K N -0.369 120.116 120.400 0.142 0.000 2.062 644 K HA -0.015 4.307 4.320 0.003 0.000 0.205 644 K C 1.722 178.382 176.600 0.100 0.000 1.051 644 K CA 1.076 57.428 56.287 0.108 0.000 0.941 644 K CB -0.477 32.065 32.500 0.070 0.000 0.719 644 K HN 0.295 nan 8.250 nan 0.000 0.440 645 L N 0.356 121.605 121.223 0.044 0.000 1.990 645 L HA -0.132 4.209 4.340 0.003 0.000 0.213 645 L C 1.771 178.624 176.870 -0.029 0.000 1.072 645 L CA 1.849 56.658 54.840 -0.051 0.000 0.755 645 L CB -0.817 41.130 42.059 -0.186 0.000 0.889 645 L HN 0.222 nan 8.230 nan 0.000 0.432 646 F N 0.171 120.133 119.950 0.021 0.000 2.063 646 F HA -0.252 4.277 4.527 0.003 0.000 0.298 646 F C 2.495 178.310 175.800 0.024 0.000 1.109 646 F CA 1.932 59.945 58.000 0.021 0.000 1.212 646 F CB -1.452 37.564 39.000 0.027 0.000 0.973 646 F HN 0.261 nan 8.300 nan 0.000 0.480 647 G N 0.115 109.061 108.800 0.243 0.000 2.553 647 G HA2 -0.355 3.607 3.960 0.003 0.000 0.218 647 G HA3 -0.355 3.607 3.960 0.003 0.000 0.218 647 G C 1.493 176.451 174.900 0.096 0.000 1.195 647 G CA 1.448 46.636 45.100 0.147 0.000 0.779 647 G HN 0.307 nan 8.290 nan 0.000 0.577 648 N N 0.939 119.686 118.700 0.079 0.000 2.149 648 N HA -0.100 4.642 4.740 0.003 0.000 0.188 648 N C 2.169 177.692 175.510 0.021 0.000 1.019 648 N CA 1.227 54.309 53.050 0.053 0.000 0.857 648 N CB -0.416 38.099 38.487 0.046 0.000 0.997 648 N HN 0.470 nan 8.380 nan 0.000 0.426 649 I N 1.038 121.614 120.570 0.010 0.000 2.179 649 I HA -0.282 3.890 4.170 0.003 0.000 0.242 649 I C 2.389 178.507 176.117 0.001 0.000 1.088 649 I CA 1.187 62.482 61.300 -0.009 0.000 1.357 649 I CB -0.326 37.659 38.000 -0.025 0.000 1.051 649 I HN 0.099 nan 8.210 nan 0.000 0.409 650 Q N 0.953 120.769 119.800 0.027 0.000 1.942 650 Q HA -0.208 4.133 4.340 0.003 0.000 0.203 650 Q C 2.259 178.222 176.000 -0.061 0.000 0.987 650 Q CA 1.596 57.407 55.803 0.013 0.000 0.844 650 Q CB -0.171 28.599 28.738 0.053 0.000 0.911 650 Q HN 0.332 nan 8.270 nan 0.000 0.423 651 K N 0.000 120.358 120.400 -0.070 0.000 2.127 651 K HA -0.244 4.077 4.320 0.003 0.000 0.212 651 K C 2.069 178.448 176.600 -0.369 0.000 1.050 651 K CA 1.907 58.063 56.287 -0.217 0.000 0.929 651 K CB -0.538 31.971 32.500 0.016 0.000 0.715 651 K HN 0.117 nan 8.250 nan 0.000 0.457 652 V N 1.228 121.050 119.914 -0.153 0.000 2.232 652 V HA -0.205 3.917 4.120 0.003 0.000 0.239 652 V C 2.508 178.599 176.094 -0.005 0.000 1.040 652 V CA 1.787 64.024 62.300 -0.105 0.000 0.996 652 V CB -0.980 30.820 31.823 -0.039 0.000 0.638 652 V HN 0.222 nan 8.190 nan 0.000 0.453 653 V N -0.091 119.835 119.914 0.020 0.000 2.453 653 V HA -0.287 3.835 4.120 0.003 0.000 0.252 653 V C 2.196 178.362 176.094 0.120 0.000 1.068 653 V CA 2.514 64.872 62.300 0.097 0.000 1.070 653 V CB -1.301 30.552 31.823 0.050 0.000 0.664 653 V HN 0.523 nan 8.190 nan 0.000 0.461 654 N N 0.362 119.066 118.700 0.006 0.000 2.104 654 N HA -0.160 4.582 4.740 0.003 0.000 0.190 654 N C 1.606 177.066 175.510 -0.083 0.000 1.024 654 N CA 2.167 55.186 53.050 -0.052 0.000 0.853 654 N CB -0.629 37.782 38.487 -0.127 0.000 1.008 654 N HN 0.707 nan 8.380 nan 0.000 0.424 655 F N -0.133 119.650 119.950 -0.279 0.000 2.113 655 F HA -0.149 4.380 4.527 0.003 0.000 0.297 655 F C 2.371 178.209 175.800 0.063 0.000 1.103 655 F CA 1.269 59.129 58.000 -0.233 0.000 1.248 655 F CB -0.441 38.211 39.000 -0.579 0.000 0.999 655 F HN 0.104 nan 8.300 nan 0.000 0.475 656 W N 0.855 122.226 121.300 0.118 0.000 2.338 656 W HA -0.227 4.435 4.660 0.003 0.000 0.304 656 W C 2.028 178.536 176.519 -0.019 0.000 1.212 656 W CA 1.961 59.357 57.345 0.085 0.000 1.264 656 W CB -0.547 28.959 29.460 0.076 0.000 1.142 656 W HN 0.163 nan 8.180 nan 0.000 0.512 657 L N 0.247 121.487 121.223 0.028 0.000 2.291 657 L HA -0.111 4.231 4.340 0.003 0.000 0.214 657 L C 2.178 178.879 176.870 -0.282 0.000 1.120 657 L CA 1.123 55.870 54.840 -0.154 0.000 0.799 657 L CB -0.800 41.295 42.059 0.061 0.000 0.925 657 L HN 0.038 nan 8.230 nan 0.000 0.446 658 L N -0.785 120.243 121.223 -0.325 0.000 2.131 658 L HA -0.207 4.135 4.340 0.003 0.000 0.210 658 L C 2.338 178.835 176.870 -0.622 0.000 1.092 658 L CA 1.919 56.477 54.840 -0.469 0.000 0.759 658 L CB -1.152 40.542 42.059 -0.609 0.000 0.903 658 L HN 0.490 nan 8.230 nan 0.000 0.435 659 H N -2.533 116.216 119.070 -0.535 0.000 2.604 659 H HA 0.042 4.600 4.556 0.003 0.000 0.273 659 H C 1.733 176.780 175.328 -0.467 0.000 0.971 659 H CA 0.726 56.495 56.048 -0.466 0.000 1.249 659 H CB 0.424 29.903 29.762 -0.473 0.000 1.449 659 H HN 0.410 nan 8.280 nan 0.000 0.512 660 N N 0.455 118.792 118.700 -0.606 0.000 2.131 660 N HA 0.008 4.750 4.740 0.003 0.000 0.190 660 N C 0.284 175.590 175.510 -0.340 0.000 1.055 660 N CA 1.322 54.004 53.050 -0.613 0.000 0.853 660 N CB 0.393 38.116 38.487 -1.272 0.000 1.035 660 N HN 0.350 nan 8.380 nan 0.000 0.440 661 G N -0.352 108.270 108.800 -0.297 0.000 2.862 661 G HA2 -0.123 3.839 3.960 0.003 0.000 0.686 661 G HA3 -0.123 3.839 3.960 0.003 0.000 0.686 661 G C -0.730 174.199 174.900 0.049 0.000 1.134 661 G CA -0.050 44.984 45.100 -0.110 0.000 0.791 661 G HN 0.625 nan 8.290 nan 0.000 0.592 662 F N 1.114 121.009 119.950 -0.091 0.000 2.613 662 F HA 0.909 5.438 4.527 0.003 0.000 0.314 662 F C -0.058 175.716 175.800 -0.042 0.000 1.075 662 F CA -0.135 57.834 58.000 -0.051 0.000 0.945 662 F CB 1.906 40.896 39.000 -0.016 0.000 1.310 662 F HN 1.148 nan 8.300 nan 0.000 0.467 663 S N 0.604 115.828 115.700 -0.793 0.000 2.911 663 S HA 0.846 5.318 4.470 0.003 0.000 0.319 663 S C -1.541 172.684 174.600 -0.624 0.000 1.154 663 S CA -0.427 57.388 58.200 -0.642 0.000 0.857 663 S CB 1.946 64.978 63.200 -0.280 0.000 1.279 663 S HN 0.910 nan 8.310 nan 0.000 0.593 664 T N 0.771 115.123 114.554 -0.337 0.000 3.395 664 T HA 0.607 4.959 4.350 0.003 0.000 0.330 664 T C -0.305 174.324 174.700 -0.118 0.000 1.076 664 T CA -0.315 61.670 62.100 -0.191 0.000 1.070 664 T CB 1.065 69.834 68.868 -0.164 0.000 1.119 664 T HN 0.875 nan 8.240 nan 0.000 0.462 665 G N 1.169 109.924 108.800 -0.075 0.000 2.509 665 G HA2 0.605 4.567 3.960 0.003 0.000 0.328 665 G HA3 0.605 4.567 3.960 0.003 0.000 0.328 665 G C 1.265 176.141 174.900 -0.040 0.000 1.194 665 G CA -1.090 43.977 45.100 -0.055 0.000 0.967 665 G HN 0.817 nan 8.290 nan 0.000 0.488 666 I N -0.382 120.166 120.570 -0.036 0.000 2.264 666 I HA -0.083 4.089 4.170 0.003 0.000 0.248 666 I C 2.606 178.712 176.117 -0.018 0.000 1.111 666 I CA 1.300 62.584 61.300 -0.027 0.000 1.382 666 I CB -0.686 37.299 38.000 -0.026 0.000 1.060 666 I HN 0.507 nan 8.210 nan 0.000 0.418 667 G N 0.989 109.779 108.800 -0.016 0.000 2.605 667 G HA2 -0.256 3.705 3.960 0.003 0.000 0.222 667 G HA3 -0.256 3.705 3.960 0.003 0.000 0.222 667 G C 1.237 176.137 174.900 -0.001 0.000 1.092 667 G CA 1.328 46.423 45.100 -0.007 0.000 0.730 667 G HN 0.491 nan 8.290 nan 0.000 0.588 668 D N -0.552 119.847 120.400 -0.002 0.000 2.349 668 D HA -0.010 4.632 4.640 0.003 0.000 0.215 668 D C 2.225 178.529 176.300 0.007 0.000 1.016 668 D CA 1.283 55.289 54.000 0.009 0.000 0.870 668 D CB 0.249 41.056 40.800 0.013 0.000 0.917 668 D HN 0.525 nan 8.370 nan 0.000 0.524 669 T N -2.039 112.513 114.554 -0.003 0.000 3.044 669 T HA 0.184 4.536 4.350 0.003 0.000 0.260 669 T C 1.000 175.700 174.700 -0.001 0.000 1.019 669 T CA -0.391 61.706 62.100 -0.004 0.000 0.921 669 T CB 0.645 69.505 68.868 -0.013 0.000 1.053 669 T HN -0.160 nan 8.240 nan 0.000 0.533 670 I N 2.465 123.036 120.570 0.001 0.000 2.720 670 I HA 0.631 4.803 4.170 0.003 0.000 0.287 670 I C 0.637 176.758 176.117 0.007 0.000 1.090 670 I CA -0.709 60.593 61.300 0.002 0.000 1.384 670 I CB 0.462 38.463 38.000 0.002 0.000 1.420 670 I HN 0.326 nan 8.210 nan 0.000 0.575 671 A N 3.601 126.426 122.820 0.007 0.000 2.469 671 A HA 0.464 4.786 4.320 0.003 0.000 0.299 671 A C -0.559 177.032 177.584 0.011 0.000 1.098 671 A CA -0.644 51.400 52.037 0.012 0.000 0.737 671 A CB 1.189 20.197 19.000 0.013 0.000 1.312 671 A HN 0.643 nan 8.150 nan 0.000 0.414 672 D N 0.505 120.913 120.400 0.013 0.000 2.419 672 D HA 0.267 4.909 4.640 0.003 0.000 0.236 672 D C 1.698 178.004 176.300 0.011 0.000 1.165 672 D CA 1.373 55.380 54.000 0.012 0.000 0.882 672 D CB 1.076 41.884 40.800 0.014 0.000 1.201 672 D HN 0.565 nan 8.370 nan 0.000 0.443 673 G N 2.256 111.062 108.800 0.009 0.000 2.440 673 G HA2 -0.168 3.794 3.960 0.003 0.000 0.218 673 G HA3 -0.168 3.794 3.960 0.003 0.000 0.218 673 G C -0.889 174.017 174.900 0.010 0.000 1.154 673 G CA 0.460 45.565 45.100 0.009 0.000 0.767 673 G HN 0.526 nan 8.290 nan 0.000 0.552 674 P HA 0.069 nan 4.420 nan 0.000 0.240 674 P C 1.330 178.638 177.300 0.014 0.000 1.190 674 P CA 1.041 64.148 63.100 0.012 0.000 0.781 674 P CB 0.290 31.996 31.700 0.011 0.000 0.931 675 T N -0.556 114.007 114.554 0.015 0.000 2.814 675 T HA 0.011 4.363 4.350 0.003 0.000 0.254 675 T C 1.959 176.669 174.700 0.018 0.000 1.037 675 T CA 0.809 62.920 62.100 0.019 0.000 1.143 675 T CB -0.548 68.332 68.868 0.021 0.000 0.866 675 T HN -0.104 nan 8.240 nan 0.000 0.431 676 M N 1.238 120.846 119.600 0.014 0.000 2.108 676 M HA -0.010 4.472 4.480 0.003 0.000 0.261 676 M C 2.386 178.693 176.300 0.013 0.000 1.066 676 M CA 1.423 56.730 55.300 0.012 0.000 1.107 676 M CB -1.052 31.553 32.600 0.008 0.000 1.356 676 M HN 0.144 nan 8.290 nan 0.000 0.406 677 R N 0.247 120.755 120.500 0.013 0.000 2.094 677 R HA -0.194 4.148 4.340 0.003 0.000 0.239 677 R C 2.157 178.467 176.300 0.016 0.000 1.137 677 R CA 2.131 58.239 56.100 0.014 0.000 0.943 677 R CB -0.315 29.992 30.300 0.012 0.000 0.850 677 R HN 0.477 nan 8.270 nan 0.000 0.433 678 E N -0.095 120.116 120.200 0.017 0.000 2.110 678 E HA -0.191 4.161 4.350 0.003 0.000 0.193 678 E C 1.918 178.532 176.600 0.023 0.000 0.988 678 E CA 1.380 57.791 56.400 0.019 0.000 0.804 678 E CB -0.064 29.647 29.700 0.018 0.000 0.745 678 E HN 0.400 nan 8.360 nan 0.000 0.458 679 I N 0.396 120.982 120.570 0.025 0.000 2.127 679 I HA -0.299 3.873 4.170 0.003 0.000 0.241 679 I C 2.560 178.697 176.117 0.034 0.000 1.075 679 I CA 1.471 62.789 61.300 0.031 0.000 1.334 679 I CB -0.414 37.601 38.000 0.025 0.000 1.040 679 I HN 0.142 nan 8.210 nan 0.000 0.405 680 T N 0.517 115.088 114.554 0.028 0.000 2.708 680 T HA -0.207 4.145 4.350 0.003 0.000 0.266 680 T C 1.677 176.398 174.700 0.036 0.000 1.037 680 T CA 1.747 63.866 62.100 0.032 0.000 1.146 680 T CB -0.338 68.545 68.868 0.025 0.000 0.865 680 T HN 0.595 nan 8.240 nan 0.000 0.435 681 E N 0.412 120.629 120.200 0.027 0.000 2.409 681 E HA -0.094 4.258 4.350 0.003 0.000 0.198 681 E C 1.617 178.230 176.600 0.021 0.000 1.024 681 E CA 1.117 57.531 56.400 0.023 0.000 0.861 681 E CB -0.406 29.304 29.700 0.017 0.000 0.788 681 E HN 0.354 nan 8.360 nan 0.000 0.521 682 T N 1.149 115.719 114.554 0.027 0.000 2.942 682 T HA 0.018 4.370 4.350 0.003 0.000 0.265 682 T C 1.762 176.485 174.700 0.037 0.000 1.062 682 T CA 0.469 62.584 62.100 0.026 0.000 1.139 682 T CB 0.079 68.968 68.868 0.035 0.000 0.883 682 T HN 0.147 nan 8.240 nan 0.000 0.468 683 I N 1.671 122.278 120.570 0.062 0.000 2.406 683 I HA 0.077 4.249 4.170 0.003 0.000 0.249 683 I C 2.788 178.947 176.117 0.069 0.000 1.122 683 I CA 0.705 62.064 61.300 0.099 0.000 1.431 683 I CB -1.450 36.640 38.000 0.149 0.000 1.087 683 I HN 0.168 nan 8.210 nan 0.000 0.424 684 A N 1.013 123.865 122.820 0.052 0.000 2.119 684 A HA -0.158 4.164 4.320 0.003 0.000 0.217 684 A C 2.138 179.735 177.584 0.022 0.000 1.153 684 A CA 1.245 53.306 52.037 0.041 0.000 0.692 684 A CB -0.551 18.472 19.000 0.037 0.000 0.799 684 A HN 0.646 nan 8.150 nan 0.000 0.458 685 E N -0.610 119.594 120.200 0.006 0.000 2.318 685 E HA 0.214 4.566 4.350 0.003 0.000 0.193 685 E C 1.718 178.295 176.600 -0.039 0.000 0.998 685 E CA 0.682 57.073 56.400 -0.015 0.000 0.859 685 E CB -0.242 29.443 29.700 -0.025 0.000 0.812 685 E HN 0.371 nan 8.360 nan 0.000 0.492 686 A N 1.579 124.376 122.820 -0.037 0.000 2.067 686 A HA -0.005 4.317 4.320 0.003 0.000 0.217 686 A C 2.095 179.660 177.584 -0.033 0.000 1.156 686 A CA 0.581 52.578 52.037 -0.066 0.000 0.683 686 A CB -0.168 18.794 19.000 -0.063 0.000 0.808 686 A HN 0.004 nan 8.150 nan 0.000 0.455 687 K N 0.059 120.459 120.400 -0.001 0.000 2.148 687 K HA -0.062 4.260 4.320 0.003 0.000 0.204 687 K C 1.658 178.274 176.600 0.028 0.000 1.050 687 K CA 0.825 57.123 56.287 0.019 0.000 0.942 687 K CB -0.087 32.442 32.500 0.049 0.000 0.724 687 K HN 0.267 nan 8.250 nan 0.000 0.446 688 K N 1.130 121.543 120.400 0.021 0.000 2.057 688 K HA -0.098 4.224 4.320 0.003 0.000 0.206 688 K C 2.011 178.638 176.600 0.045 0.000 1.050 688 K CA 1.096 57.400 56.287 0.028 0.000 0.935 688 K CB -0.087 32.422 32.500 0.015 0.000 0.715 688 K HN 0.121 nan 8.250 nan 0.000 0.439 689 K N 0.615 121.034 120.400 0.031 0.000 2.057 689 K HA -0.095 4.227 4.320 0.003 0.000 0.207 689 K C 2.155 178.907 176.600 0.252 0.000 1.049 689 K CA 1.058 57.399 56.287 0.089 0.000 0.931 689 K CB -0.109 32.315 32.500 -0.127 0.000 0.714 689 K HN -0.110 nan 8.250 nan 0.000 0.440 690 V N 2.257 122.279 119.914 0.179 0.000 2.295 690 V HA -0.245 3.876 4.120 0.003 0.000 0.246 690 V C 2.222 178.365 176.094 0.081 0.000 1.049 690 V CA 1.393 63.739 62.300 0.077 0.000 1.024 690 V CB -0.492 31.326 31.823 -0.008 0.000 0.648 690 V HN 0.403 nan 8.190 nan 0.000 0.447 691 L N 0.464 121.739 121.223 0.086 0.000 2.043 691 L HA -0.233 4.109 4.340 0.003 0.000 0.212 691 L C 2.097 179.028 176.870 0.102 0.000 1.075 691 L CA 2.403 57.299 54.840 0.093 0.000 0.752 691 L CB -1.281 40.819 42.059 0.070 0.000 0.891 691 L HN 0.391 nan 8.230 nan 0.000 0.432 692 D N -0.784 119.675 120.400 0.099 0.000 2.234 692 D HA -0.068 4.574 4.640 0.003 0.000 0.205 692 D C 2.306 178.671 176.300 0.109 0.000 0.962 692 D CA 0.795 54.851 54.000 0.094 0.000 0.855 692 D CB 0.333 41.181 40.800 0.081 0.000 0.951 692 D HN 0.280 nan 8.370 nan 0.000 0.500 693 V N 1.246 121.232 119.914 0.120 0.000 2.323 693 V HA -0.186 3.936 4.120 0.003 0.000 0.244 693 V C 2.401 178.623 176.094 0.214 0.000 1.041 693 V CA 1.824 64.181 62.300 0.095 0.000 1.025 693 V CB -0.760 31.002 31.823 -0.101 0.000 0.656 693 V HN 0.206 nan 8.190 nan 0.000 0.451 694 T N -0.671 114.075 114.554 0.321 0.000 2.897 694 T HA -0.233 4.119 4.350 0.003 0.000 0.271 694 T C 1.861 176.640 174.700 0.132 0.000 1.084 694 T CA 1.456 63.771 62.100 0.359 0.000 1.123 694 T CB -0.151 68.928 68.868 0.352 0.000 0.865 694 T HN 0.281 nan 8.240 nan 0.000 0.496 695 K N 1.099 121.566 120.400 0.111 0.000 2.076 695 K HA 0.065 4.387 4.320 0.003 0.000 0.204 695 K C 2.351 178.982 176.600 0.052 0.000 1.051 695 K CA 0.929 57.256 56.287 0.067 0.000 0.949 695 K CB -0.011 32.526 32.500 0.062 0.000 0.726 695 K HN 0.356 nan 8.250 nan 0.000 0.443 696 E N -0.697 119.544 120.200 0.068 0.000 2.028 696 E HA -0.112 4.240 4.350 0.003 0.000 0.190 696 E C 1.739 178.359 176.600 0.034 0.000 0.984 696 E CA 0.968 57.398 56.400 0.051 0.000 0.800 696 E CB -0.077 29.660 29.700 0.062 0.000 0.758 696 E HN 0.371 nan 8.360 nan 0.000 0.448 697 A N 0.535 123.384 122.820 0.048 0.000 2.015 697 A HA -0.200 4.122 4.320 0.003 0.000 0.219 697 A C 1.918 179.458 177.584 -0.074 0.000 1.163 697 A CA 1.162 53.194 52.037 -0.009 0.000 0.646 697 A CB -0.305 18.693 19.000 -0.005 0.000 0.806 697 A HN 0.243 nan 8.150 nan 0.000 0.448 698 Q N -1.012 118.753 119.800 -0.059 0.000 2.230 698 Q HA 0.105 4.447 4.340 0.003 0.000 0.202 698 Q C 1.617 177.597 176.000 -0.034 0.000 0.963 698 Q CA 0.975 56.741 55.803 -0.061 0.000 0.866 698 Q CB -0.138 28.577 28.738 -0.037 0.000 0.931 698 Q HN 0.621 nan 8.270 nan 0.000 0.452 699 A N 0.688 123.499 122.820 -0.015 0.000 2.532 699 A HA 0.092 4.414 4.320 0.003 0.000 0.273 699 A C 0.276 177.855 177.584 -0.009 0.000 1.342 699 A CA -0.242 51.791 52.037 -0.007 0.000 0.929 699 A CB -0.084 18.918 19.000 0.004 0.000 1.051 699 A HN 0.356 nan 8.150 nan 0.000 0.521 700 N N -1.016 117.673 118.700 -0.019 0.000 2.696 700 N HA -0.177 4.565 4.740 0.003 0.000 0.249 700 N C 0.338 175.843 175.510 -0.008 0.000 1.090 700 N CA 1.285 54.323 53.050 -0.019 0.000 0.716 700 N CB -1.497 36.978 38.487 -0.020 0.000 1.020 700 N HN 0.578 nan 8.380 nan 0.000 0.548 701 L N -0.993 120.230 121.223 -0.000 0.000 2.609 701 L HA 0.229 4.571 4.340 0.003 0.000 0.230 701 L C 1.029 177.906 176.870 0.012 0.000 1.087 701 L CA -0.395 54.449 54.840 0.007 0.000 0.874 701 L CB 0.055 42.121 42.059 0.012 0.000 1.114 701 L HN 0.169 nan 8.230 nan 0.000 0.488 702 L N 2.726 123.957 121.223 0.014 0.000 2.745 702 L HA 0.012 4.354 4.340 0.003 0.000 0.273 702 L C -0.217 176.660 176.870 0.011 0.000 1.156 702 L CA 1.041 55.893 54.840 0.021 0.000 0.982 702 L CB -0.228 41.852 42.059 0.033 0.000 1.295 702 L HN 0.133 nan 8.230 nan 0.000 0.483 703 T N 5.354 119.916 114.554 0.013 0.000 2.799 703 T HA 0.308 4.660 4.350 0.003 0.000 0.296 703 T C 0.701 175.406 174.700 0.009 0.000 0.947 703 T CA -0.197 61.910 62.100 0.010 0.000 1.141 703 T CB 0.542 69.419 68.868 0.015 0.000 0.891 703 T HN 0.797 nan 8.240 nan 0.000 0.533 704 A N 4.929 127.751 122.820 0.003 0.000 2.484 704 A HA 0.208 4.530 4.320 0.003 0.000 0.268 704 A C 0.709 178.298 177.584 0.009 0.000 1.114 704 A CA -0.271 51.765 52.037 -0.002 0.000 0.780 704 A CB -0.116 18.875 19.000 -0.015 0.000 1.061 704 A HN 0.812 nan 8.150 nan 0.000 0.505 705 K N 1.314 121.721 120.400 0.012 0.000 2.286 705 K HA 0.054 4.375 4.320 0.003 0.000 0.256 705 K C 0.155 176.780 176.600 0.042 0.000 0.999 705 K CA -0.099 56.210 56.287 0.037 0.000 0.908 705 K CB 0.279 32.799 32.500 0.033 0.000 0.981 705 K HN 0.859 nan 8.250 nan 0.000 0.500 706 H N -0.423 118.648 119.070 0.001 0.000 2.929 706 H HA 0.130 4.688 4.556 0.003 0.000 0.317 706 H C 1.058 176.387 175.328 0.002 0.000 1.031 706 H CA 1.496 57.542 56.048 -0.003 0.000 1.466 706 H CB 0.292 30.049 29.762 -0.007 0.000 1.482 706 H HN 0.766 nan 8.280 nan 0.000 0.561 707 G N 4.015 112.382 108.800 -0.723 0.000 2.168 707 G HA2 -0.271 3.691 3.960 0.003 0.000 0.263 707 G HA3 -0.271 3.691 3.960 0.003 0.000 0.263 707 G C 0.141 174.934 174.900 -0.178 0.000 0.977 707 G CA 0.583 45.398 45.100 -0.475 0.000 0.659 707 G HN 0.824 nan 8.290 nan 0.000 0.533 708 M N -0.743 118.783 119.600 -0.122 0.000 2.457 708 M HA 0.698 5.180 4.480 0.003 0.000 0.300 708 M C 0.260 176.529 176.300 -0.050 0.000 1.141 708 M CA -0.796 54.469 55.300 -0.059 0.000 0.901 708 M CB 1.429 34.015 32.600 -0.022 0.000 1.687 708 M HN -0.013 nan 8.290 nan 0.000 0.449 709 T N 1.993 116.526 114.554 -0.035 0.000 2.854 709 T HA 0.037 4.388 4.350 0.003 0.000 0.336 709 T C 1.315 176.003 174.700 -0.021 0.000 1.095 709 T CA -0.081 62.002 62.100 -0.028 0.000 1.118 709 T CB 0.342 69.200 68.868 -0.016 0.000 1.025 709 T HN 0.605 nan 8.240 nan 0.000 0.549 710 L N 1.338 122.546 121.223 -0.025 0.000 1.994 710 L HA -0.054 4.288 4.340 0.003 0.000 0.208 710 L C 2.895 179.761 176.870 -0.007 0.000 1.071 710 L CA 1.643 56.471 54.840 -0.019 0.000 0.745 710 L CB -0.579 41.459 42.059 -0.035 0.000 0.892 710 L HN 0.552 nan 8.230 nan 0.000 0.431 711 R N -0.124 120.354 120.500 -0.036 0.000 2.139 711 R HA -0.210 4.132 4.340 0.003 0.000 0.243 711 R C 2.136 178.463 176.300 0.045 0.000 1.145 711 R CA 1.569 57.643 56.100 -0.043 0.000 0.976 711 R CB -0.421 29.842 30.300 -0.062 0.000 0.866 711 R HN 0.572 nan 8.270 nan 0.000 0.449 712 E N -0.348 119.869 120.200 0.029 0.000 2.112 712 E HA -0.038 4.314 4.350 0.003 0.000 0.190 712 E C 1.831 178.444 176.600 0.021 0.000 0.979 712 E CA 0.849 57.267 56.400 0.031 0.000 0.814 712 E CB 0.163 29.870 29.700 0.011 0.000 0.762 712 E HN 0.178 nan 8.360 nan 0.000 0.460 713 S N 0.501 116.211 115.700 0.017 0.000 2.489 713 S HA -0.058 4.414 4.470 0.003 0.000 0.228 713 S C 1.392 175.973 174.600 -0.031 0.000 0.995 713 S CA 0.283 58.476 58.200 -0.011 0.000 0.934 713 S CB -0.102 63.095 63.200 -0.005 0.000 0.771 713 S HN 0.258 nan 8.310 nan 0.000 0.522 714 F N 2.862 122.732 119.950 -0.132 0.000 2.074 714 F HA -0.043 4.485 4.527 0.003 0.000 0.293 714 F C 2.394 178.092 175.800 -0.171 0.000 1.116 714 F CA 1.376 59.274 58.000 -0.170 0.000 1.212 714 F CB -0.272 38.619 39.000 -0.182 0.000 0.998 714 F HN -0.007 nan 8.300 nan 0.000 0.471 715 E N 0.573 120.818 120.200 0.074 0.000 2.086 715 E HA -0.310 4.042 4.350 0.003 0.000 0.200 715 E C 1.884 178.391 176.600 -0.154 0.000 1.012 715 E CA 1.935 58.329 56.400 -0.010 0.000 0.812 715 E CB -0.791 28.955 29.700 0.077 0.000 0.743 715 E HN 0.517 nan 8.360 nan 0.000 0.453 716 D N 0.163 120.488 120.400 -0.125 0.000 2.092 716 D HA -0.141 4.500 4.640 0.003 0.000 0.193 716 D C 1.657 177.804 176.300 -0.255 0.000 0.994 716 D CA 1.251 55.169 54.000 -0.137 0.000 0.828 716 D CB -0.181 40.571 40.800 -0.081 0.000 0.963 716 D HN 0.022 nan 8.370 nan 0.000 0.450 717 N N -0.405 118.055 118.700 -0.401 0.000 2.069 717 N HA -0.133 4.609 4.740 0.003 0.000 0.191 717 N C 1.932 176.905 175.510 -0.894 0.000 1.031 717 N CA 0.983 53.607 53.050 -0.710 0.000 0.852 717 N CB -0.554 37.412 38.487 -0.869 0.000 1.018 717 N HN 0.131 nan 8.380 nan 0.000 0.423 718 V N 0.408 119.857 119.914 -0.775 0.000 2.295 718 V HA -0.155 3.967 4.120 0.003 0.000 0.246 718 V C 2.329 178.245 176.094 -0.298 0.000 1.049 718 V CA 1.168 63.119 62.300 -0.582 0.000 1.024 718 V CB -0.540 30.920 31.823 -0.604 0.000 0.648 718 V HN 0.089 nan 8.190 nan 0.000 0.447 719 V N -0.145 119.628 119.914 -0.235 0.000 2.469 719 V HA -0.254 3.868 4.120 0.003 0.000 0.251 719 V C 2.516 178.577 176.094 -0.054 0.000 1.064 719 V CA 1.977 64.208 62.300 -0.115 0.000 1.066 719 V CB -0.852 30.926 31.823 -0.074 0.000 0.667 719 V HN 0.467 nan 8.190 nan 0.000 0.461 720 R N -1.082 119.387 120.500 -0.051 0.000 2.119 720 R HA 0.063 4.405 4.340 0.003 0.000 0.222 720 R C 2.185 178.605 176.300 0.200 0.000 1.088 720 R CA 1.052 57.187 56.100 0.058 0.000 0.984 720 R CB -0.225 30.111 30.300 0.061 0.000 0.884 720 R HN 0.478 nan 8.270 nan 0.000 0.447 721 F N 0.088 119.959 119.950 -0.132 0.000 2.604 721 F HA -0.042 4.487 4.527 0.003 0.000 0.298 721 F C 1.817 177.505 175.800 -0.186 0.000 1.131 721 F CA 0.291 58.205 58.000 -0.143 0.000 1.457 721 F CB 0.294 39.192 39.000 -0.171 0.000 1.095 721 F HN 0.019 nan 8.300 nan 0.000 0.574 722 L N -1.121 120.077 121.223 -0.041 0.000 2.575 722 L HA 0.036 4.378 4.340 0.003 0.000 0.228 722 L C 1.600 178.448 176.870 -0.037 0.000 1.075 722 L CA 0.033 54.719 54.840 -0.257 0.000 0.867 722 L CB -0.233 41.492 42.059 -0.557 0.000 1.097 722 L HN -0.005 nan 8.230 nan 0.000 0.485 723 N N 0.693 119.415 118.700 0.038 0.000 2.148 723 N HA -0.132 4.610 4.740 0.003 0.000 0.186 723 N C 1.472 177.043 175.510 0.101 0.000 1.031 723 N CA 1.117 54.227 53.050 0.099 0.000 0.848 723 N CB -0.021 38.516 38.487 0.084 0.000 1.005 723 N HN 0.261 nan 8.380 nan 0.000 0.427 724 E N 0.709 120.952 120.200 0.072 0.000 2.331 724 E HA -0.083 4.269 4.350 0.003 0.000 0.199 724 E C 1.608 178.238 176.600 0.050 0.000 1.008 724 E CA 0.757 57.190 56.400 0.056 0.000 0.843 724 E CB 0.008 29.724 29.700 0.027 0.000 0.761 724 E HN 0.353 nan 8.360 nan 0.000 0.507 725 A N 1.275 124.128 122.820 0.054 0.000 1.874 725 A HA -0.116 4.206 4.320 0.003 0.000 0.214 725 A C 2.090 179.760 177.584 0.144 0.000 1.189 725 A CA 1.077 53.160 52.037 0.076 0.000 0.615 725 A CB -0.239 18.794 19.000 0.056 0.000 0.830 725 A HN 0.085 nan 8.150 nan 0.000 0.443 726 R N -0.377 120.241 120.500 0.197 0.000 2.075 726 R HA -0.144 4.198 4.340 0.003 0.000 0.232 726 R C 1.195 177.590 176.300 0.158 0.000 1.126 726 R CA 1.766 57.971 56.100 0.175 0.000 0.963 726 R CB -0.345 30.064 30.300 0.182 0.000 0.858 726 R HN 0.363 nan 8.270 nan 0.000 0.435 727 D N 0.463 120.977 120.400 0.190 0.000 2.144 727 D HA -0.137 4.505 4.640 0.003 0.000 0.200 727 D C 1.658 178.124 176.300 0.276 0.000 0.978 727 D CA 1.036 55.211 54.000 0.292 0.000 0.833 727 D CB -0.002 40.929 40.800 0.219 0.000 0.961 727 D HN 0.206 nan 8.370 nan 0.000 0.470 728 K N 0.307 120.802 120.400 0.159 0.000 2.076 728 K HA 0.042 4.364 4.320 0.003 0.000 0.204 728 K C 1.918 178.597 176.600 0.131 0.000 1.051 728 K CA 0.811 57.168 56.287 0.117 0.000 0.949 728 K CB 0.056 32.591 32.500 0.059 0.000 0.726 728 K HN 0.000 nan 8.250 nan 0.000 0.443 729 A N 0.630 123.521 122.820 0.119 0.000 2.015 729 A HA -0.056 4.266 4.320 0.003 0.000 0.219 729 A C 2.180 179.824 177.584 0.100 0.000 1.163 729 A CA 1.759 53.852 52.037 0.093 0.000 0.646 729 A CB -0.721 18.325 19.000 0.077 0.000 0.806 729 A HN 0.489 nan 8.150 nan 0.000 0.448 730 G N -0.497 108.393 108.800 0.150 0.000 2.394 730 G HA2 -0.156 3.806 3.960 0.003 0.000 0.214 730 G HA3 -0.156 3.806 3.960 0.003 0.000 0.214 730 G C 1.692 176.830 174.900 0.397 0.000 1.176 730 G CA 0.799 45.968 45.100 0.114 0.000 0.786 730 G HN 0.493 nan 8.290 nan 0.000 0.533 731 R N -0.119 120.686 120.500 0.508 0.000 2.148 731 R HA 0.186 4.528 4.340 0.003 0.000 0.227 731 R C 2.528 178.933 176.300 0.176 0.000 1.103 731 R CA 0.418 56.704 56.100 0.310 0.000 0.983 731 R CB -0.406 29.938 30.300 0.073 0.000 0.874 731 R HN 0.324 nan 8.270 nan 0.000 0.451 732 L N -0.518 120.786 121.223 0.136 0.000 2.141 732 L HA -0.107 4.235 4.340 0.003 0.000 0.209 732 L C 2.311 179.229 176.870 0.080 0.000 1.094 732 L CA 1.115 56.005 54.840 0.085 0.000 0.763 732 L CB -0.456 41.642 42.059 0.064 0.000 0.908 732 L HN 0.283 nan 8.230 nan 0.000 0.437 733 A N -0.146 122.731 122.820 0.095 0.000 1.872 733 A HA -0.222 4.100 4.320 0.003 0.000 0.214 733 A C 2.221 179.855 177.584 0.084 0.000 1.187 733 A CA 1.448 53.524 52.037 0.065 0.000 0.614 733 A CB -0.443 18.574 19.000 0.028 0.000 0.826 733 A HN 0.400 nan 8.150 nan 0.000 0.442 734 E N -0.178 120.111 120.200 0.148 0.000 2.058 734 E HA -0.166 4.186 4.350 0.003 0.000 0.194 734 E C 1.824 178.483 176.600 0.097 0.000 0.997 734 E CA 1.610 58.103 56.400 0.156 0.000 0.801 734 E CB -0.175 29.693 29.700 0.280 0.000 0.746 734 E HN 0.257 nan 8.360 nan 0.000 0.450 735 V N 1.803 121.768 119.914 0.085 0.000 2.490 735 V HA -0.256 3.866 4.120 0.003 0.000 0.250 735 V C 2.266 178.386 176.094 0.042 0.000 1.061 735 V CA 1.953 64.284 62.300 0.052 0.000 1.064 735 V CB -0.660 31.188 31.823 0.041 0.000 0.670 735 V HN 0.439 nan 8.190 nan 0.000 0.461 736 N N -0.118 118.609 118.700 0.044 0.000 2.494 736 N HA -0.018 4.724 4.740 0.003 0.000 0.182 736 N C 0.571 176.101 175.510 0.032 0.000 1.076 736 N CA 0.097 53.167 53.050 0.034 0.000 0.908 736 N CB 0.072 38.578 38.487 0.031 0.000 0.967 736 N HN 0.393 nan 8.380 nan 0.000 0.449 737 L N 2.767 124.014 121.223 0.039 0.000 2.369 737 L HA 0.151 4.493 4.340 0.003 0.000 0.279 737 L C 0.225 177.115 176.870 0.034 0.000 1.108 737 L CA -0.137 54.725 54.840 0.037 0.000 0.852 737 L CB 0.777 42.863 42.059 0.045 0.000 1.169 737 L HN -0.038 nan 8.230 nan 0.000 0.452 738 K N 1.940 122.358 120.400 0.030 0.000 2.219 738 K HA 0.055 4.377 4.320 0.003 0.000 0.258 738 K C 0.347 176.965 176.600 0.029 0.000 1.008 738 K CA -0.644 55.659 56.287 0.027 0.000 0.928 738 K CB 0.794 33.309 32.500 0.025 0.000 0.983 738 K HN 0.386 nan 8.250 nan 0.000 0.484 739 D N 1.044 121.459 120.400 0.024 0.000 2.309 739 D HA -0.103 4.539 4.640 0.003 0.000 0.212 739 D C 1.343 177.660 176.300 0.028 0.000 0.968 739 D CA 0.919 54.932 54.000 0.022 0.000 0.882 739 D CB -0.144 40.664 40.800 0.012 0.000 0.918 739 D HN 0.450 nan 8.370 nan 0.000 0.503 740 L N -1.387 119.857 121.223 0.035 0.000 2.552 740 L HA 0.136 4.478 4.340 0.003 0.000 0.227 740 L C 0.619 177.527 176.870 0.063 0.000 1.146 740 L CA 0.049 54.917 54.840 0.047 0.000 0.858 740 L CB -0.823 41.261 42.059 0.042 0.000 0.969 740 L HN -0.231 nan 8.230 nan 0.000 0.451 741 N N 1.626 120.360 118.700 0.057 0.000 2.406 741 N HA 0.002 4.744 4.740 0.003 0.000 0.265 741 N C 0.999 176.569 175.510 0.100 0.000 1.203 741 N CA -0.104 52.986 53.050 0.066 0.000 0.945 741 N CB 0.314 38.832 38.487 0.051 0.000 1.165 741 N HN 0.207 nan 8.380 nan 0.000 0.485 742 N N 2.616 121.404 118.700 0.146 0.000 2.021 742 N HA -0.204 4.538 4.740 0.003 0.000 0.198 742 N C 1.439 177.093 175.510 0.241 0.000 1.041 742 N CA 1.374 54.595 53.050 0.284 0.000 0.862 742 N CB -0.355 38.291 38.487 0.265 0.000 1.048 742 N HN 0.307 nan 8.380 nan 0.000 0.427 743 V N 2.243 122.241 119.914 0.139 0.000 2.278 743 V HA -0.266 3.856 4.120 0.003 0.000 0.251 743 V C 2.460 178.607 176.094 0.087 0.000 1.062 743 V CA 1.667 64.028 62.300 0.101 0.000 1.038 743 V CB -0.535 31.318 31.823 0.050 0.000 0.646 743 V HN 0.318 nan 8.190 nan 0.000 0.447 744 K N -0.337 120.107 120.400 0.072 0.000 2.044 744 K HA -0.266 4.056 4.320 0.003 0.000 0.210 744 K C 2.284 178.908 176.600 0.040 0.000 1.049 744 K CA 2.039 58.359 56.287 0.055 0.000 0.927 744 K CB -0.320 32.209 32.500 0.048 0.000 0.713 744 K HN 0.576 nan 8.250 nan 0.000 0.443 745 Q N -0.301 119.522 119.800 0.038 0.000 2.291 745 Q HA -0.085 4.257 4.340 0.003 0.000 0.206 745 Q C 1.995 177.952 176.000 -0.071 0.000 0.976 745 Q CA 1.165 56.949 55.803 -0.032 0.000 0.875 745 Q CB 0.019 28.710 28.738 -0.077 0.000 0.927 745 Q HN 0.389 nan 8.270 nan 0.000 0.450 746 M N -1.064 118.537 119.600 0.002 0.000 2.394 746 M HA -0.072 4.410 4.480 0.003 0.000 0.266 746 M C 2.063 178.373 176.300 0.017 0.000 1.098 746 M CA 0.557 55.862 55.300 0.009 0.000 1.149 746 M CB 0.301 32.974 32.600 0.123 0.000 1.369 746 M HN 0.000 nan 8.290 nan 0.000 0.450 747 V N 0.689 120.622 119.914 0.032 0.000 2.453 747 V HA -0.224 3.898 4.120 0.003 0.000 0.247 747 V C 2.264 178.371 176.094 0.022 0.000 1.048 747 V CA 1.619 63.940 62.300 0.036 0.000 1.049 747 V CB -0.330 31.525 31.823 0.053 0.000 0.672 747 V HN 0.469 nan 8.190 nan 0.000 0.457 748 M N -0.385 119.220 119.600 0.009 0.000 2.132 748 M HA -0.111 4.371 4.480 0.003 0.000 0.263 748 M C 2.279 178.569 176.300 -0.017 0.000 1.065 748 M CA 2.055 57.353 55.300 -0.004 0.000 1.122 748 M CB -0.502 32.090 32.600 -0.013 0.000 1.365 748 M HN 0.369 nan 8.290 nan 0.000 0.411 749 A N -0.162 122.639 122.820 -0.031 0.000 2.014 749 A HA 0.209 4.530 4.320 0.003 0.000 0.218 749 A C 1.770 179.344 177.584 -0.017 0.000 1.163 749 A CA 1.208 53.221 52.037 -0.040 0.000 0.652 749 A CB -0.933 18.024 19.000 -0.072 0.000 0.808 749 A HN 0.663 nan 8.150 nan 0.000 0.449 750 G N -0.616 108.183 108.800 -0.003 0.000 2.160 750 G HA2 -0.268 3.694 3.960 0.003 0.000 0.244 750 G HA3 -0.268 3.694 3.960 0.003 0.000 0.244 750 G C 0.970 175.878 174.900 0.014 0.000 1.022 750 G CA 1.277 46.383 45.100 0.010 0.000 0.741 750 G HN 1.376 nan 8.290 nan 0.000 0.508 751 S N -1.286 114.423 115.700 0.016 0.000 2.371 751 S HA 0.362 4.834 4.470 0.003 0.000 0.221 751 S C 0.897 175.520 174.600 0.038 0.000 1.036 751 S CA 1.450 59.666 58.200 0.028 0.000 0.965 751 S CB 0.585 63.803 63.200 0.031 0.000 0.845 751 S HN 0.601 nan 8.310 nan 0.000 0.475 752 K N -0.379 120.047 120.400 0.043 0.000 2.587 752 K HA 0.545 4.867 4.320 0.003 0.000 0.276 752 K C -0.738 175.885 176.600 0.039 0.000 0.956 752 K CA -0.082 56.228 56.287 0.038 0.000 0.857 752 K CB 1.923 34.446 32.500 0.039 0.000 1.431 752 K HN 0.545 nan 8.250 nan 0.000 0.420 753 G N 0.522 109.339 108.800 0.029 0.000 2.408 753 G HA2 0.150 4.112 3.960 0.003 0.000 0.682 753 G HA3 0.150 4.112 3.960 0.003 0.000 0.682 753 G C -1.148 173.775 174.900 0.037 0.000 1.303 753 G CA -0.275 44.842 45.100 0.028 0.000 0.966 753 G HN 1.023 nan 8.290 nan 0.000 0.560 754 S N -1.950 113.775 115.700 0.043 0.000 2.683 754 S HA 0.652 5.124 4.470 0.003 0.000 0.269 754 S C 0.511 175.176 174.600 0.109 0.000 1.165 754 S CA 0.394 58.641 58.200 0.078 0.000 0.840 754 S CB 0.985 64.228 63.200 0.073 0.000 1.169 754 S HN 1.969 nan 8.310 nan 0.000 0.490 755 F N 0.963 120.923 119.950 0.016 0.000 2.171 755 F HA 0.149 4.678 4.527 0.003 0.000 0.300 755 F C 1.806 177.620 175.800 0.024 0.000 1.090 755 F CA 1.235 59.246 58.000 0.019 0.000 1.293 755 F CB -0.252 38.759 39.000 0.018 0.000 1.013 755 F HN 0.523 nan 8.300 nan 0.000 0.486 756 I N 1.124 121.607 120.570 -0.145 0.000 2.361 756 I HA -0.273 3.899 4.170 0.003 0.000 0.251 756 I C 1.815 177.812 176.117 -0.200 0.000 1.133 756 I CA 1.229 62.391 61.300 -0.231 0.000 1.413 756 I CB -1.154 36.829 38.000 -0.029 0.000 1.073 756 I HN 0.253 nan 8.210 nan 0.000 0.424 757 N N 0.609 119.236 118.700 -0.120 0.000 2.270 757 N HA -0.103 4.638 4.740 0.003 0.000 0.181 757 N C 1.813 177.258 175.510 -0.107 0.000 1.016 757 N CA 1.009 54.006 53.050 -0.089 0.000 0.870 757 N CB 0.129 38.587 38.487 -0.048 0.000 0.979 757 N HN 0.275 nan 8.380 nan 0.000 0.431 758 I N 1.540 122.025 120.570 -0.142 0.000 2.163 758 I HA -0.147 4.025 4.170 0.003 0.000 0.240 758 I C 2.449 178.457 176.117 -0.182 0.000 1.081 758 I CA 0.718 61.940 61.300 -0.130 0.000 1.353 758 I CB -1.462 36.478 38.000 -0.099 0.000 1.054 758 I HN -0.005 nan 8.210 nan 0.000 0.407 759 A N 0.488 123.089 122.820 -0.365 0.000 1.933 759 A HA -0.218 4.103 4.320 0.003 0.000 0.218 759 A C 2.265 179.756 177.584 -0.156 0.000 1.175 759 A CA 1.438 53.268 52.037 -0.345 0.000 0.628 759 A CB -0.535 18.098 19.000 -0.611 0.000 0.814 759 A HN 0.557 nan 8.150 nan 0.000 0.444 760 Q N -1.079 118.663 119.800 -0.096 0.000 2.033 760 Q HA 0.015 4.357 4.340 0.003 0.000 0.196 760 Q C 2.178 178.263 176.000 0.142 0.000 0.970 760 Q CA 1.261 57.088 55.803 0.040 0.000 0.828 760 Q CB -0.282 28.561 28.738 0.175 0.000 0.895 760 Q HN 0.647 nan 8.270 nan 0.000 0.440 761 M N 0.179 119.831 119.600 0.087 0.000 2.358 761 M HA -0.114 4.368 4.480 0.003 0.000 0.264 761 M C 1.329 177.650 176.300 0.036 0.000 1.064 761 M CA 1.158 56.498 55.300 0.066 0.000 1.093 761 M CB 0.149 32.731 32.600 -0.030 0.000 1.401 761 M HN 0.091 nan 8.290 nan 0.000 0.440 762 S N -1.606 114.094 115.700 -0.000 0.000 2.619 762 S HA 0.331 4.803 4.470 0.003 0.000 0.238 762 S C 1.268 175.859 174.600 -0.016 0.000 1.068 762 S CA 0.184 58.379 58.200 -0.008 0.000 0.926 762 S CB 0.698 63.891 63.200 -0.011 0.000 0.864 762 S HN 0.461 nan 8.310 nan 0.000 0.493 763 A N 0.841 123.641 122.820 -0.032 0.000 2.084 763 A HA 0.643 4.965 4.320 0.003 0.000 0.211 763 A C 0.762 178.312 177.584 -0.056 0.000 2.280 763 A CA 0.672 52.691 52.037 -0.031 0.000 1.128 763 A CB -0.436 18.552 19.000 -0.022 0.000 1.248 763 A HN 0.723 nan 8.150 nan 0.000 0.624 764 C N -1.381 117.872 119.300 -0.078 0.000 3.171 764 C HA 0.692 5.154 4.460 0.003 0.000 0.308 764 C C 1.394 176.275 174.990 -0.181 0.000 1.334 764 C CA 0.107 59.037 59.018 -0.147 0.000 1.473 764 C CB 1.040 28.694 27.740 -0.144 0.000 1.866 764 C HN 1.245 nan 8.230 nan 0.000 0.465 765 V N 1.127 120.863 119.914 -0.297 0.000 2.825 765 V HA 0.643 4.765 4.120 0.003 0.000 0.246 765 V C 1.192 177.157 176.094 -0.215 0.000 1.068 765 V CA 1.678 63.798 62.300 -0.300 0.000 1.088 765 V CB -0.867 30.623 31.823 -0.556 0.000 0.733 765 V HN 2.769 nan 8.190 nan 0.000 0.468 766 G N 0.254 108.872 108.800 -0.304 0.000 2.631 766 G HA2 -0.136 3.826 3.960 0.003 0.000 0.504 766 G HA3 -0.136 3.826 3.960 0.003 0.000 0.504 766 G C -0.667 174.202 174.900 -0.052 0.000 1.306 766 G CA -0.022 45.012 45.100 -0.111 0.000 0.897 766 G HN 0.934 nan 8.290 nan 0.000 0.520 767 Q N -0.324 119.634 119.800 0.264 0.000 2.314 767 Q HA 0.592 4.934 4.340 0.003 0.000 0.258 767 Q C 0.421 176.499 176.000 0.130 0.000 0.954 767 Q CA 0.117 56.080 55.803 0.267 0.000 0.890 767 Q CB 0.845 29.748 28.738 0.275 0.000 1.210 767 Q HN 0.627 nan 8.270 nan 0.000 0.410 768 Q N 1.004 120.871 119.800 0.111 0.000 2.312 768 Q HA 0.542 4.883 4.340 0.003 0.000 0.236 768 Q C -1.063 174.978 176.000 0.069 0.000 0.965 768 Q CA -0.037 55.829 55.803 0.106 0.000 0.894 768 Q CB 1.683 30.502 28.738 0.136 0.000 1.225 768 Q HN 0.727 nan 8.270 nan 0.000 0.478 769 S N -0.209 115.528 115.700 0.062 0.000 2.599 769 S HA 0.820 5.292 4.470 0.003 0.000 0.287 769 S C -1.469 173.148 174.600 0.028 0.000 1.105 769 S CA -0.729 57.493 58.200 0.037 0.000 0.899 769 S CB 1.366 64.589 63.200 0.038 0.000 1.100 769 S HN 0.239 nan 8.310 nan 0.000 0.482 770 V N 2.866 122.789 119.914 0.016 0.000 2.445 770 V HA 0.497 4.619 4.120 0.003 0.000 0.283 770 V C -0.523 175.578 176.094 0.012 0.000 1.014 770 V CA -0.564 61.743 62.300 0.011 0.000 0.852 770 V CB 0.326 32.153 31.823 0.007 0.000 1.021 770 V HN 1.132 nan 8.190 nan 0.000 0.435 771 E N 3.227 123.435 120.200 0.015 0.000 2.340 771 E HA -0.274 4.078 4.350 0.003 0.000 0.240 771 E C 1.288 177.900 176.600 0.019 0.000 1.154 771 E CA 0.595 57.005 56.400 0.017 0.000 0.717 771 E CB -1.374 28.335 29.700 0.016 0.000 1.250 771 E HN 1.506 nan 8.360 nan 0.000 0.386 772 G N -0.197 108.616 108.800 0.021 0.000 2.347 772 G HA2 -0.392 3.570 3.960 0.003 0.000 0.247 772 G HA3 -0.392 3.570 3.960 0.003 0.000 0.247 772 G C 0.375 175.287 174.900 0.020 0.000 1.037 772 G CA 0.886 45.999 45.100 0.023 0.000 0.622 772 G HN 0.272 nan 8.290 nan 0.000 0.521 773 K N 1.105 121.514 120.400 0.017 0.000 2.118 773 K HA 0.492 4.814 4.320 0.003 0.000 0.267 773 K C 1.147 177.746 176.600 -0.002 0.000 0.991 773 K CA -0.909 55.385 56.287 0.012 0.000 0.916 773 K CB 0.807 33.317 32.500 0.016 0.000 1.041 773 K HN 0.239 nan 8.250 nan 0.000 0.455 774 R N 1.099 121.592 120.500 -0.012 0.000 2.973 774 R HA -0.043 4.299 4.340 0.003 0.000 0.277 774 R C 0.611 176.863 176.300 -0.081 0.000 1.000 774 R CA -0.011 56.065 56.100 -0.040 0.000 1.175 774 R CB 0.030 30.299 30.300 -0.052 0.000 1.113 774 R HN 0.472 nan 8.270 nan 0.000 0.495 775 I N 1.380 121.867 120.570 -0.139 0.000 2.775 775 I HA -0.084 4.088 4.170 0.003 0.000 0.290 775 I C 1.150 177.139 176.117 -0.213 0.000 1.203 775 I CA 0.443 61.643 61.300 -0.167 0.000 1.433 775 I CB -0.531 37.283 38.000 -0.309 0.000 1.354 775 I HN 0.632 nan 8.210 nan 0.000 0.579 776 A N 6.922 129.669 122.820 -0.122 0.000 2.296 776 A HA 0.435 4.757 4.320 0.003 0.000 0.264 776 A C -0.288 177.195 177.584 -0.169 0.000 1.097 776 A CA -0.362 51.598 52.037 -0.128 0.000 0.811 776 A CB 0.086 19.083 19.000 -0.005 0.000 1.072 776 A HN 0.536 nan 8.150 nan 0.000 0.495 777 F N 1.125 121.097 119.950 0.037 0.000 2.515 777 F HA 0.306 4.835 4.527 0.003 0.000 0.353 777 F C 1.647 177.480 175.800 0.054 0.000 1.213 777 F CA 0.346 58.381 58.000 0.058 0.000 1.194 777 F CB 0.530 39.542 39.000 0.020 0.000 1.488 777 F HN 0.735 nan 8.300 nan 0.000 0.619 778 G N 3.107 112.022 108.800 0.192 0.000 2.404 778 G HA2 -0.151 3.811 3.960 0.003 0.000 0.215 778 G HA3 -0.151 3.811 3.960 0.003 0.000 0.215 778 G C 0.517 175.368 174.900 -0.081 0.000 1.174 778 G CA 0.114 45.212 45.100 -0.002 0.000 0.780 778 G HN 0.311 nan 8.290 nan 0.000 0.537 779 F N 0.176 120.222 119.950 0.160 0.000 2.403 779 F HA 0.372 4.901 4.527 0.003 0.000 0.320 779 F C 0.834 176.698 175.800 0.107 0.000 1.176 779 F CA -1.056 57.012 58.000 0.112 0.000 1.206 779 F CB 1.153 40.212 39.000 0.100 0.000 1.235 779 F HN -0.020 nan 8.300 nan 0.000 0.565 780 V N -0.390 119.670 119.914 0.243 0.000 2.415 780 V HA 0.173 4.295 4.120 0.003 0.000 0.267 780 V C -0.306 175.752 176.094 -0.059 0.000 1.042 780 V CA -0.987 61.353 62.300 0.068 0.000 1.000 780 V CB -0.006 31.843 31.823 0.043 0.000 1.015 780 V HN 0.885 nan 8.190 nan 0.000 0.478 781 D N 2.013 122.228 120.400 -0.307 0.000 3.018 781 D HA -0.224 4.418 4.640 0.003 0.000 0.224 781 D C 0.403 176.311 176.300 -0.653 0.000 1.185 781 D CA 2.173 55.658 54.000 -0.859 0.000 0.858 781 D CB -0.721 39.775 40.800 -0.507 0.000 1.112 781 D HN 1.059 nan 8.370 nan 0.000 0.415 782 R N -3.474 117.064 120.500 0.063 0.000 2.817 782 R HA 0.778 5.120 4.340 0.003 0.000 0.268 782 R C 0.801 177.540 176.300 0.731 0.000 1.027 782 R CA -0.735 55.668 56.100 0.505 0.000 0.928 782 R CB 0.652 31.126 30.300 0.289 0.000 1.228 782 R HN -0.150 nan 8.270 nan 0.000 0.469 783 T N -0.542 114.402 114.554 0.650 0.000 2.898 783 T HA 0.283 4.635 4.350 0.003 0.000 0.241 783 T C 0.669 175.785 174.700 0.693 0.000 1.024 783 T CA 0.253 62.708 62.100 0.592 0.000 1.174 783 T CB 0.021 69.229 68.868 0.566 0.000 0.873 783 T HN 0.211 nan 8.240 nan 0.000 0.422 784 L N 2.021 123.569 121.223 0.542 0.000 2.333 784 L HA 0.386 4.728 4.340 0.003 0.000 0.269 784 L C -1.820 174.917 176.870 -0.223 0.000 1.010 784 L CA -2.593 52.348 54.840 0.168 0.000 0.818 784 L CB 2.068 44.175 42.059 0.080 0.000 1.306 784 L HN -0.048 nan 8.230 nan 0.000 0.430 785 P HA -0.104 nan 4.420 nan 0.000 0.244 785 P C 0.696 177.644 177.300 -0.586 0.000 1.211 785 P CA 0.968 63.612 63.100 -0.760 0.000 0.760 785 P CB -0.045 31.046 31.700 -1.015 0.000 0.961 786 H N -1.565 117.257 119.070 -0.413 0.000 2.548 786 H HA 0.186 4.744 4.556 0.003 0.000 0.265 786 H C 0.697 175.833 175.328 -0.321 0.000 0.969 786 H CA 0.235 56.042 56.048 -0.402 0.000 1.155 786 H CB -0.100 29.328 29.762 -0.557 0.000 1.394 786 H HN 0.243 nan 8.280 nan 0.000 0.570 787 F N 0.668 120.669 119.950 0.084 0.000 2.497 787 F HA 0.256 4.785 4.527 0.003 0.000 0.331 787 F C 0.936 176.757 175.800 0.034 0.000 1.060 787 F CA -1.257 56.795 58.000 0.087 0.000 0.989 787 F CB 1.278 40.364 39.000 0.144 0.000 1.245 787 F HN -0.167 nan 8.300 nan 0.000 0.486 788 S N 0.453 116.320 115.700 0.279 0.000 2.608 788 S HA 0.193 4.665 4.470 0.003 0.000 0.261 788 S C -0.171 174.498 174.600 0.114 0.000 1.314 788 S CA -0.856 57.425 58.200 0.136 0.000 0.992 788 S CB 0.669 63.931 63.200 0.102 0.000 0.935 788 S HN 0.418 nan 8.310 nan 0.000 0.564 789 K N 0.622 121.044 120.400 0.038 0.000 2.120 789 K HA 0.149 4.471 4.320 0.003 0.000 0.245 789 K C -0.213 176.354 176.600 -0.055 0.000 1.024 789 K CA -0.338 55.929 56.287 -0.033 0.000 0.906 789 K CB 0.170 32.626 32.500 -0.073 0.000 1.051 789 K HN 0.542 nan 8.250 nan 0.000 0.491 790 D N 1.438 121.729 120.400 -0.181 0.000 2.723 790 D HA -0.183 4.458 4.640 0.003 0.000 0.236 790 D C -1.060 175.247 176.300 0.012 0.000 1.138 790 D CA 1.074 55.008 54.000 -0.110 0.000 0.676 790 D CB -0.622 40.168 40.800 -0.018 0.000 1.069 790 D HN 0.462 nan 8.370 nan 0.000 0.430 791 D N -0.493 119.901 120.400 -0.009 0.000 2.481 791 D HA 0.242 4.884 4.640 0.003 0.000 0.246 791 D C -0.151 176.144 176.300 -0.009 0.000 1.109 791 D CA -0.526 53.496 54.000 0.037 0.000 0.845 791 D CB 0.460 41.248 40.800 -0.019 0.000 1.160 791 D HN 0.051 nan 8.370 nan 0.000 0.534 792 Y N 1.420 121.782 120.300 0.104 0.000 2.584 792 Y HA 0.141 4.693 4.550 0.003 0.000 0.254 792 Y C 1.425 177.389 175.900 0.107 0.000 1.177 792 Y CA -0.412 57.762 58.100 0.123 0.000 1.216 792 Y CB 0.491 39.020 38.460 0.115 0.000 1.172 792 Y HN 0.343 nan 8.280 nan 0.000 0.529 793 S N 1.503 117.288 115.700 0.140 0.000 2.606 793 S HA 0.077 4.549 4.470 0.003 0.000 0.257 793 S C -1.323 173.279 174.600 0.004 0.000 1.327 793 S CA -0.950 57.294 58.200 0.073 0.000 0.984 793 S CB 1.015 64.231 63.200 0.027 0.000 0.941 793 S HN 0.055 nan 8.310 nan 0.000 0.576 794 P HA -0.080 nan 4.420 nan 0.000 0.214 794 P C 1.106 178.453 177.300 0.078 0.000 1.162 794 P CA 1.421 64.533 63.100 0.020 0.000 0.871 794 P CB -0.284 31.408 31.700 -0.012 0.000 0.783 795 E N 0.342 120.595 120.200 0.089 0.000 2.164 795 E HA -0.227 4.124 4.350 0.003 0.000 0.206 795 E C 2.153 178.741 176.600 -0.020 0.000 1.032 795 E CA 1.943 58.397 56.400 0.091 0.000 0.832 795 E CB -0.820 28.909 29.700 0.048 0.000 0.742 795 E HN 0.268 nan 8.360 nan 0.000 0.460 796 S N -0.578 114.951 115.700 -0.284 0.000 2.497 796 S HA 0.065 4.537 4.470 0.003 0.000 0.218 796 S C 1.120 175.502 174.600 -0.364 0.000 1.023 796 S CA -0.083 57.775 58.200 -0.571 0.000 0.913 796 S CB 0.336 63.041 63.200 -0.824 0.000 0.800 796 S HN 0.036 nan 8.310 nan 0.000 0.505 797 K N 0.963 121.178 120.400 -0.309 0.000 2.699 797 K HA 0.330 4.652 4.320 0.003 0.000 0.210 797 K C 0.343 176.722 176.600 -0.369 0.000 1.076 797 K CA 0.279 56.342 56.287 -0.375 0.000 1.109 797 K CB 0.610 32.946 32.500 -0.274 0.000 0.862 797 K HN 0.381 nan 8.250 nan 0.000 0.470 798 G N 1.815 110.328 108.800 -0.477 0.000 2.207 798 G HA2 -0.252 3.710 3.960 0.003 0.000 0.216 798 G HA3 -0.252 3.710 3.960 0.003 0.000 0.216 798 G C -0.601 174.322 174.900 0.039 0.000 1.053 798 G CA -0.622 44.227 45.100 -0.419 0.000 0.764 798 G HN 0.326 nan 8.290 nan 0.000 0.495 799 F N 1.670 121.592 119.950 -0.046 0.000 2.391 799 F HA 0.574 5.103 4.527 0.003 0.000 0.359 799 F C 0.506 176.340 175.800 0.058 0.000 1.122 799 F CA -1.252 56.753 58.000 0.007 0.000 1.120 799 F CB 1.473 40.472 39.000 -0.003 0.000 1.142 799 F HN 0.089 nan 8.300 nan 0.000 0.483 800 V N 7.472 127.108 119.914 -0.464 0.000 2.322 800 V HA 0.106 4.228 4.120 0.003 0.000 0.258 800 V C 1.163 176.868 176.094 -0.649 0.000 1.074 800 V CA -0.313 61.764 62.300 -0.372 0.000 0.909 800 V CB 0.634 32.301 31.823 -0.260 0.000 1.090 800 V HN 0.815 nan 8.190 nan 0.000 0.486 801 E N 3.250 123.188 120.200 -0.436 0.000 2.072 801 E HA -0.093 4.259 4.350 0.003 0.000 0.191 801 E C 0.662 177.125 176.600 -0.228 0.000 0.985 801 E CA 0.674 56.876 56.400 -0.330 0.000 0.801 801 E CB 0.295 29.968 29.700 -0.045 0.000 0.750 801 E HN 0.669 nan 8.360 nan 0.000 0.452 802 N N 1.115 119.702 118.700 -0.188 0.000 2.503 802 N HA 0.017 4.759 4.740 0.003 0.000 0.267 802 N C -0.277 175.110 175.510 -0.205 0.000 1.214 802 N CA 0.059 53.020 53.050 -0.150 0.000 0.959 802 N CB 1.289 39.708 38.487 -0.113 0.000 1.142 802 N HN 0.015 nan 8.380 nan 0.000 0.455 803 S N 0.658 116.271 115.700 -0.144 0.000 2.608 803 S HA 0.130 4.602 4.470 0.003 0.000 0.261 803 S C 1.152 175.668 174.600 -0.141 0.000 1.314 803 S CA -0.367 57.754 58.200 -0.132 0.000 0.992 803 S CB 0.324 63.493 63.200 -0.052 0.000 0.935 803 S HN 0.526 nan 8.310 nan 0.000 0.564 804 Y N 0.394 120.628 120.300 -0.111 0.000 2.274 804 Y HA -0.078 4.474 4.550 0.003 0.000 0.290 804 Y C 2.171 178.019 175.900 -0.086 0.000 1.145 804 Y CA 1.151 59.187 58.100 -0.106 0.000 1.203 804 Y CB -0.287 38.111 38.460 -0.103 0.000 0.984 804 Y HN 0.647 nan 8.280 nan 0.000 0.533 805 L N -1.016 120.258 121.223 0.086 0.000 2.270 805 L HA 0.132 4.474 4.340 0.003 0.000 0.210 805 L C 1.878 178.747 176.870 -0.001 0.000 1.104 805 L CA 1.038 55.896 54.840 0.030 0.000 0.804 805 L CB -0.830 41.237 42.059 0.014 0.000 0.937 805 L HN -0.176 nan 8.230 nan 0.000 0.450 806 R N 1.042 121.532 120.500 -0.017 0.000 2.073 806 R HA 0.273 4.615 4.340 0.003 0.000 0.234 806 R C 0.467 176.741 176.300 -0.044 0.000 1.134 806 R CA 1.102 57.182 56.100 -0.033 0.000 0.952 806 R CB -0.522 29.752 30.300 -0.044 0.000 0.850 806 R HN 0.654 nan 8.270 nan 0.000 0.433 807 G N -0.112 108.651 108.800 -0.062 0.000 3.355 807 G HA2 -0.109 3.853 3.960 0.003 0.000 0.686 807 G HA3 -0.109 3.853 3.960 0.003 0.000 0.686 807 G C -0.999 173.834 174.900 -0.110 0.000 1.097 807 G CA -1.083 43.967 45.100 -0.084 0.000 0.881 807 G HN 0.004 nan 8.290 nan 0.000 0.550 808 L N 1.551 122.683 121.223 -0.151 0.000 2.479 808 L HA 0.602 4.944 4.340 0.003 0.000 0.270 808 L C 1.867 178.696 176.870 -0.069 0.000 1.236 808 L CA 0.667 55.432 54.840 -0.124 0.000 0.823 808 L CB 0.186 42.171 42.059 -0.123 0.000 1.098 808 L HN 1.024 nan 8.230 nan 0.000 0.500 809 T N -1.914 112.631 114.554 -0.016 0.000 2.889 809 T HA 0.497 4.849 4.350 0.003 0.000 0.278 809 T C -2.064 172.661 174.700 0.041 0.000 0.995 809 T CA -1.604 60.497 62.100 0.002 0.000 0.966 809 T CB 1.106 69.976 68.868 0.003 0.000 1.237 809 T HN 0.348 nan 8.240 nan 0.000 0.591 810 P HA -0.064 nan 4.420 nan 0.000 0.213 810 P C 1.636 178.877 177.300 -0.097 0.000 1.170 810 P CA 1.161 64.255 63.100 -0.010 0.000 0.893 810 P CB -0.058 31.570 31.700 -0.120 0.000 0.784 811 Q N 0.189 119.859 119.800 -0.218 0.000 1.998 811 Q HA -0.243 4.099 4.340 0.003 0.000 0.209 811 Q C 2.166 177.949 176.000 -0.362 0.000 1.002 811 Q CA 2.051 57.615 55.803 -0.398 0.000 0.858 811 Q CB -1.003 27.706 28.738 -0.048 0.000 0.932 811 Q HN 0.367 nan 8.270 nan 0.000 0.416 812 E N -0.286 119.941 120.200 0.046 0.000 2.068 812 E HA -0.250 4.102 4.350 0.003 0.000 0.207 812 E C 1.789 178.524 176.600 0.225 0.000 1.032 812 E CA 1.307 57.828 56.400 0.203 0.000 0.839 812 E CB -0.381 29.390 29.700 0.119 0.000 0.758 812 E HN 0.230 nan 8.360 nan 0.000 0.457 813 F N 0.931 120.881 119.950 -0.001 0.000 2.063 813 F HA -0.264 4.265 4.527 0.003 0.000 0.298 813 F C 2.118 177.933 175.800 0.025 0.000 1.109 813 F CA 1.430 59.451 58.000 0.035 0.000 1.212 813 F CB -0.844 38.168 39.000 0.021 0.000 0.973 813 F HN -0.012 nan 8.300 nan 0.000 0.480 814 F N -0.297 119.520 119.950 -0.222 0.000 2.171 814 F HA -0.195 4.334 4.527 0.003 0.000 0.300 814 F C 2.215 177.918 175.800 -0.162 0.000 1.090 814 F CA 1.528 59.305 58.000 -0.373 0.000 1.293 814 F CB -0.810 37.919 39.000 -0.452 0.000 1.013 814 F HN -0.018 nan 8.300 nan 0.000 0.486 815 F N -1.228 118.822 119.950 0.165 0.000 2.060 815 F HA -0.231 4.298 4.527 0.003 0.000 0.295 815 F C 2.676 178.501 175.800 0.042 0.000 1.120 815 F CA 1.321 59.387 58.000 0.110 0.000 1.205 815 F CB -0.952 38.153 39.000 0.174 0.000 0.986 815 F HN 0.015 nan 8.300 nan 0.000 0.470 816 H N 0.676 119.868 119.070 0.203 0.000 2.422 816 H HA -0.141 4.417 4.556 0.003 0.000 0.298 816 H C 1.929 177.277 175.328 0.035 0.000 1.098 816 H CA 1.245 57.363 56.048 0.116 0.000 1.315 816 H CB -0.312 29.527 29.762 0.129 0.000 1.382 816 H HN 0.172 nan 8.280 nan 0.000 0.523 817 A N 0.209 122.886 122.820 -0.238 0.000 2.015 817 A HA -0.102 4.220 4.320 0.003 0.000 0.219 817 A C 2.454 179.787 177.584 -0.418 0.000 1.163 817 A CA 1.482 53.241 52.037 -0.462 0.000 0.646 817 A CB -0.550 18.010 19.000 -0.733 0.000 0.806 817 A HN 0.529 nan 8.150 nan 0.000 0.448 818 M N -0.944 118.456 119.600 -0.333 0.000 2.160 818 M HA -0.006 4.476 4.480 0.003 0.000 0.264 818 M C 2.400 178.630 176.300 -0.117 0.000 1.073 818 M CA 1.362 56.522 55.300 -0.233 0.000 1.142 818 M CB -0.654 31.885 32.600 -0.102 0.000 1.358 818 M HN 0.463 nan 8.290 nan 0.000 0.422 819 G N 0.328 109.100 108.800 -0.046 0.000 2.484 819 G HA2 -0.059 3.903 3.960 0.003 0.000 0.215 819 G HA3 -0.059 3.903 3.960 0.003 0.000 0.215 819 G C 0.856 175.736 174.900 -0.033 0.000 1.219 819 G CA 0.586 45.688 45.100 0.002 0.000 0.791 819 G HN 0.540 nan 8.290 nan 0.000 0.550 820 G N -0.805 107.938 108.800 -0.095 0.000 2.225 820 G HA2 0.350 4.312 3.960 0.003 0.000 0.245 820 G HA3 0.350 4.312 3.960 0.003 0.000 0.245 820 G C 0.674 175.496 174.900 -0.129 0.000 1.249 820 G CA 0.958 45.980 45.100 -0.131 0.000 0.919 820 G HN 0.832 nan 8.290 nan 0.000 0.486 821 R N 0.663 121.115 120.500 -0.079 0.000 2.016 821 R HA -0.194 4.148 4.340 0.003 0.000 0.257 821 R C 1.482 177.754 176.300 -0.047 0.000 0.572 821 R CA 1.728 57.783 56.100 -0.074 0.000 1.612 821 R CB -1.626 28.607 30.300 -0.112 0.000 1.375 821 R HN 0.587 nan 8.270 nan 0.000 0.442 822 E N 0.083 120.260 120.200 -0.039 0.000 2.058 822 E HA -0.091 4.261 4.350 0.003 0.000 0.194 822 E C 1.631 178.226 176.600 -0.009 0.000 0.997 822 E CA 2.100 58.489 56.400 -0.018 0.000 0.801 822 E CB -0.672 29.024 29.700 -0.006 0.000 0.746 822 E HN 0.544 nan 8.360 nan 0.000 0.450 823 G N 1.490 110.287 108.800 -0.004 0.000 2.587 823 G HA2 -0.306 3.656 3.960 0.003 0.000 0.217 823 G HA3 -0.306 3.656 3.960 0.003 0.000 0.217 823 G C 1.571 176.468 174.900 -0.006 0.000 1.240 823 G CA 1.328 46.428 45.100 0.002 0.000 0.794 823 G HN 0.282 nan 8.290 nan 0.000 0.580 824 L N 0.490 121.705 121.223 -0.013 0.000 2.051 824 L HA -0.199 4.143 4.340 0.003 0.000 0.214 824 L C 2.903 179.764 176.870 -0.015 0.000 1.076 824 L CA 0.780 55.611 54.840 -0.016 0.000 0.758 824 L CB -0.725 41.319 42.059 -0.024 0.000 0.890 824 L HN 0.162 nan 8.230 nan 0.000 0.433 825 I N 0.732 121.291 120.570 -0.017 0.000 2.087 825 I HA -0.330 3.842 4.170 0.003 0.000 0.240 825 I C 2.190 178.302 176.117 -0.009 0.000 1.054 825 I CA 2.011 63.302 61.300 -0.015 0.000 1.311 825 I CB -1.426 36.565 38.000 -0.015 0.000 1.024 825 I HN 0.457 nan 8.210 nan 0.000 0.402 826 D N -0.409 119.988 120.400 -0.005 0.000 2.347 826 D HA -0.066 4.576 4.640 0.003 0.000 0.215 826 D C 1.823 178.122 176.300 -0.003 0.000 0.976 826 D CA 0.685 54.684 54.000 -0.002 0.000 0.884 826 D CB -0.703 40.099 40.800 0.002 0.000 0.915 826 D HN 0.302 nan 8.370 nan 0.000 0.526 827 T N 0.375 114.926 114.554 -0.005 0.000 3.035 827 T HA 0.078 4.430 4.350 0.003 0.000 0.268 827 T C 1.819 176.515 174.700 -0.007 0.000 1.109 827 T CA 0.947 63.044 62.100 -0.006 0.000 1.119 827 T CB 0.080 68.944 68.868 -0.007 0.000 0.900 827 T HN 0.322 nan 8.240 nan 0.000 0.503 828 A N -0.208 122.607 122.820 -0.008 0.000 2.267 828 A HA 0.518 4.840 4.320 0.003 0.000 0.213 828 A C 1.871 179.450 177.584 -0.008 0.000 1.192 828 A CA 0.093 52.124 52.037 -0.009 0.000 0.851 828 A CB 0.312 19.305 19.000 -0.012 0.000 0.881 828 A HN 0.335 nan 8.150 nan 0.000 0.494 829 V N -1.357 118.554 119.914 -0.005 0.000 3.261 829 V HA 0.094 4.216 4.120 0.003 0.000 0.212 829 V C 1.641 177.738 176.094 0.005 0.000 1.381 829 V CA 0.814 63.113 62.300 -0.002 0.000 1.322 829 V CB 0.025 31.846 31.823 -0.003 0.000 1.188 829 V HN 0.461 nan 8.190 nan 0.000 0.520 830 K N 0.298 120.701 120.400 0.005 0.000 2.699 830 K HA -0.134 4.188 4.320 0.003 0.000 0.197 830 K C 1.436 178.040 176.600 0.007 0.000 1.017 830 K CA 1.486 57.778 56.287 0.008 0.000 1.006 830 K CB -0.018 32.485 32.500 0.006 0.000 0.819 830 K HN 0.518 nan 8.250 nan 0.000 0.493 831 T N -1.982 112.576 114.554 0.007 0.000 3.138 831 T HA 0.205 4.557 4.350 0.003 0.000 0.245 831 T C 1.526 176.236 174.700 0.016 0.000 0.982 831 T CA 0.480 62.583 62.100 0.006 0.000 1.134 831 T CB -0.055 68.813 68.868 -0.001 0.000 1.032 831 T HN 0.252 nan 8.240 nan 0.000 0.442 832 A N 1.055 123.883 122.820 0.013 0.000 2.076 832 A HA -0.061 4.261 4.320 0.003 0.000 0.220 832 A C 1.997 179.608 177.584 0.046 0.000 1.160 832 A CA 1.937 53.984 52.037 0.015 0.000 0.653 832 A CB -0.519 18.477 19.000 -0.006 0.000 0.801 832 A HN 0.708 nan 8.150 nan 0.000 0.455 833 E N -1.218 119.015 120.200 0.056 0.000 2.057 833 E HA -0.057 4.295 4.350 0.003 0.000 0.190 833 E C 1.723 178.386 176.600 0.105 0.000 0.969 833 E CA 1.181 57.645 56.400 0.106 0.000 0.812 833 E CB -0.103 29.646 29.700 0.082 0.000 0.777 833 E HN 0.528 nan 8.360 nan 0.000 0.455 834 T N 0.036 114.621 114.554 0.052 0.000 3.077 834 T HA -0.086 4.266 4.350 0.003 0.000 0.269 834 T C 1.482 176.193 174.700 0.018 0.000 1.146 834 T CA 0.914 63.027 62.100 0.022 0.000 1.091 834 T CB -0.086 68.782 68.868 0.001 0.000 0.892 834 T HN 0.278 nan 8.240 nan 0.000 0.533 835 G N -0.604 108.227 108.800 0.051 0.000 2.673 835 G HA2 -0.015 3.947 3.960 0.003 0.000 0.208 835 G HA3 -0.015 3.947 3.960 0.003 0.000 0.208 835 G C 1.153 176.119 174.900 0.109 0.000 1.128 835 G CA -0.232 44.899 45.100 0.052 0.000 0.805 835 G HN 0.459 nan 8.290 nan 0.000 0.526 836 Y N 1.241 121.540 120.300 -0.000 0.000 2.373 836 Y HA 0.195 4.747 4.550 0.003 0.000 0.293 836 Y C 2.304 178.226 175.900 0.037 0.000 1.129 836 Y CA 0.437 58.547 58.100 0.017 0.000 1.226 836 Y CB -0.055 38.412 38.460 0.012 0.000 1.000 836 Y HN 0.148 nan 8.280 nan 0.000 0.549 837 I N -0.404 120.147 120.570 -0.031 0.000 2.193 837 I HA -0.289 3.883 4.170 0.003 0.000 0.240 837 I C 2.625 178.672 176.117 -0.117 0.000 1.084 837 I CA 1.345 62.575 61.300 -0.116 0.000 1.365 837 I CB -0.442 37.529 38.000 -0.048 0.000 1.064 837 I HN 0.186 nan 8.210 nan 0.000 0.410 838 Q N 0.926 120.682 119.800 -0.074 0.000 2.077 838 Q HA -0.257 4.085 4.340 0.003 0.000 0.206 838 Q C 2.382 178.337 176.000 -0.075 0.000 0.989 838 Q CA 1.667 57.420 55.803 -0.083 0.000 0.853 838 Q CB -0.192 28.503 28.738 -0.072 0.000 0.907 838 Q HN 0.330 nan 8.270 nan 0.000 0.418 839 R N 0.190 120.669 120.500 -0.035 0.000 2.105 839 R HA -0.126 4.216 4.340 0.003 0.000 0.239 839 R C 2.298 178.625 176.300 0.046 0.000 1.135 839 R CA 1.414 57.527 56.100 0.023 0.000 0.967 839 R CB -0.174 30.181 30.300 0.091 0.000 0.861 839 R HN 0.257 nan 8.270 nan 0.000 0.442 840 R N -0.084 120.391 120.500 -0.042 0.000 2.051 840 R HA 0.053 4.395 4.340 0.003 0.000 0.225 840 R C 2.504 178.653 176.300 -0.251 0.000 1.155 840 R CA 0.740 56.811 56.100 -0.048 0.000 0.945 840 R CB -0.575 29.671 30.300 -0.091 0.000 0.840 840 R HN 0.101 nan 8.270 nan 0.000 0.432 841 L N 0.633 121.718 121.223 -0.231 0.000 2.085 841 L HA -0.332 4.010 4.340 0.003 0.000 0.218 841 L C 2.305 179.017 176.870 -0.262 0.000 1.080 841 L CA 1.511 56.198 54.840 -0.255 0.000 0.776 841 L CB -0.517 41.434 42.059 -0.180 0.000 0.891 841 L HN 0.150 nan 8.230 nan 0.000 0.437 842 V N -0.578 119.221 119.914 -0.191 0.000 2.216 842 V HA -0.292 3.830 4.120 0.003 0.000 0.243 842 V C 2.488 178.465 176.094 -0.196 0.000 1.044 842 V CA 1.668 63.873 62.300 -0.158 0.000 0.995 842 V CB -0.509 31.257 31.823 -0.094 0.000 0.633 842 V HN 0.375 nan 8.190 nan 0.000 0.446 843 K N -0.083 120.216 120.400 -0.169 0.000 2.293 843 K HA -0.183 4.138 4.320 0.003 0.000 0.204 843 K C 1.926 178.300 176.600 -0.376 0.000 1.045 843 K CA 1.640 57.827 56.287 -0.167 0.000 0.933 843 K CB -0.505 31.975 32.500 -0.033 0.000 0.736 843 K HN 0.540 nan 8.250 nan 0.000 0.463 844 A N -0.461 121.924 122.820 -0.725 0.000 2.095 844 A HA 0.109 4.431 4.320 0.003 0.000 0.212 844 A C 1.931 179.213 177.584 -0.502 0.000 1.162 844 A CA 0.254 51.632 52.037 -1.098 0.000 0.753 844 A CB 0.138 18.032 19.000 -1.843 0.000 0.840 844 A HN 0.183 nan 8.150 nan 0.000 0.468 845 L N -2.033 118.988 121.223 -0.338 0.000 2.537 845 L HA 0.143 4.485 4.340 0.003 0.000 0.224 845 L C 1.814 178.601 176.870 -0.138 0.000 1.065 845 L CA 0.571 55.291 54.840 -0.200 0.000 0.860 845 L CB -0.340 41.620 42.059 -0.165 0.000 1.086 845 L HN 0.455 nan 8.230 nan 0.000 0.482 846 E N 1.536 121.650 120.200 -0.143 0.000 2.884 846 E HA -0.395 3.956 4.350 0.003 0.000 0.224 846 E C 0.752 177.307 176.600 -0.074 0.000 0.921 846 E CA 2.618 58.960 56.400 -0.096 0.000 1.498 846 E CB -0.334 29.320 29.700 -0.076 0.000 1.476 846 E HN 0.697 nan 8.360 nan 0.000 0.464 847 D N -0.342 120.022 120.400 -0.061 0.000 2.358 847 D HA 0.065 4.706 4.640 0.003 0.000 0.224 847 D C 0.206 176.477 176.300 -0.048 0.000 1.123 847 D CA -0.175 53.797 54.000 -0.047 0.000 0.833 847 D CB -0.187 40.599 40.800 -0.023 0.000 0.946 847 D HN 0.073 nan 8.370 nan 0.000 0.505 848 I N 1.671 122.208 120.570 -0.056 0.000 2.529 848 I HA 0.222 4.394 4.170 0.003 0.000 0.284 848 I C 0.544 176.613 176.117 -0.079 0.000 1.082 848 I CA 0.149 61.421 61.300 -0.048 0.000 1.406 848 I CB 0.882 38.861 38.000 -0.035 0.000 1.405 848 I HN 0.117 nan 8.210 nan 0.000 0.548 849 M N 4.406 123.939 119.600 -0.112 0.000 2.490 849 M HA 0.522 5.004 4.480 0.003 0.000 0.286 849 M C -1.523 174.646 176.300 -0.217 0.000 1.185 849 M CA -1.029 54.160 55.300 -0.186 0.000 0.912 849 M CB 1.508 33.964 32.600 -0.240 0.000 1.744 849 M HN 0.009 nan 8.290 nan 0.000 0.494 850 V N 2.874 122.661 119.914 -0.212 0.000 2.585 850 V HA 0.192 4.314 4.120 0.003 0.000 0.296 850 V C 0.556 176.513 176.094 -0.229 0.000 1.035 850 V CA 0.109 62.316 62.300 -0.156 0.000 1.084 850 V CB -0.416 31.305 31.823 -0.170 0.000 0.953 850 V HN 0.764 nan 8.190 nan 0.000 0.483 851 H N 2.737 121.774 119.070 -0.056 0.000 2.584 851 H HA 0.292 4.850 4.556 0.003 0.000 0.299 851 H C -0.456 174.809 175.328 -0.104 0.000 1.548 851 H CA -0.319 55.708 56.048 -0.034 0.000 1.544 851 H CB 0.702 30.502 29.762 0.063 0.000 1.732 851 H HN 0.595 nan 8.280 nan 0.000 0.813 852 Y N 1.377 121.810 120.300 0.223 0.000 2.976 852 Y HA 0.037 4.589 4.550 0.003 0.000 0.389 852 Y C 0.369 176.328 175.900 0.098 0.000 1.072 852 Y CA 0.033 58.209 58.100 0.126 0.000 1.809 852 Y CB -0.108 38.419 38.460 0.112 0.000 1.736 852 Y HN 0.466 nan 8.280 nan 0.000 0.471 853 D N -2.998 117.511 120.400 0.182 0.000 2.755 853 D HA -0.001 4.641 4.640 0.003 0.000 0.293 853 D C 0.208 176.576 176.300 0.114 0.000 1.642 853 D CA -0.104 53.977 54.000 0.136 0.000 0.825 853 D CB -0.832 40.043 40.800 0.126 0.000 1.303 853 D HN 0.131 nan 8.370 nan 0.000 0.434 854 N N 0.064 118.817 118.700 0.089 0.000 2.809 854 N HA -0.192 4.550 4.740 0.003 0.000 0.244 854 N C 0.233 175.818 175.510 0.126 0.000 1.018 854 N CA 1.651 54.751 53.050 0.084 0.000 0.917 854 N CB -1.631 36.903 38.487 0.077 0.000 1.130 854 N HN 0.531 nan 8.380 nan 0.000 0.591 855 T N 0.483 115.123 114.554 0.143 0.000 2.855 855 T HA 0.155 4.507 4.350 0.003 0.000 0.322 855 T C 0.176 174.957 174.700 0.134 0.000 1.088 855 T CA 0.672 62.862 62.100 0.150 0.000 1.104 855 T CB 0.423 69.382 68.868 0.152 0.000 0.996 855 T HN 0.164 nan 8.240 nan 0.000 0.549 856 T N 5.849 120.456 114.554 0.088 0.000 2.893 856 T HA 0.511 4.863 4.350 0.003 0.000 0.324 856 T C -0.135 174.593 174.700 0.046 0.000 1.082 856 T CA -0.654 61.498 62.100 0.086 0.000 0.983 856 T CB 0.519 69.454 68.868 0.111 0.000 1.005 856 T HN 0.542 nan 8.240 nan 0.000 0.475 857 R N 2.203 122.778 120.500 0.124 0.000 2.960 857 R HA 0.686 5.027 4.340 0.003 0.000 0.249 857 R C 0.250 176.611 176.300 0.103 0.000 1.192 857 R CA -1.155 55.010 56.100 0.109 0.000 1.035 857 R CB 1.181 31.573 30.300 0.153 0.000 1.234 857 R HN 0.680 nan 8.270 nan 0.000 0.493 858 N N -2.064 116.687 118.700 0.085 0.000 3.038 858 N HA 0.093 4.835 4.740 0.003 0.000 0.307 858 N C 0.182 175.743 175.510 0.085 0.000 1.441 858 N CA -0.467 52.623 53.050 0.066 0.000 0.772 858 N CB 1.471 39.969 38.487 0.018 0.000 1.651 858 N HN 0.500 nan 8.380 nan 0.000 0.593 859 S N 0.001 115.736 115.700 0.058 0.000 2.434 859 S HA -0.232 4.240 4.470 0.003 0.000 0.243 859 S C 1.661 176.291 174.600 0.050 0.000 1.045 859 S CA 1.257 59.490 58.200 0.056 0.000 1.019 859 S CB -0.738 62.483 63.200 0.034 0.000 0.811 859 S HN 0.535 nan 8.310 nan 0.000 0.485 860 L N 0.460 121.707 121.223 0.039 0.000 2.307 860 L HA 0.276 4.618 4.340 0.003 0.000 0.211 860 L C 2.202 179.086 176.870 0.023 0.000 1.099 860 L CA 0.614 55.471 54.840 0.027 0.000 0.816 860 L CB -0.449 41.622 42.059 0.020 0.000 0.952 860 L HN 0.630 nan 8.230 nan 0.000 0.455 861 G N -0.721 108.097 108.800 0.029 0.000 2.179 861 G HA2 -0.237 3.725 3.960 0.003 0.000 0.220 861 G HA3 -0.237 3.725 3.960 0.003 0.000 0.220 861 G C -0.001 174.899 174.900 -0.000 0.000 0.990 861 G CA -0.302 44.800 45.100 0.003 0.000 0.646 861 G HN 0.291 nan 8.290 nan 0.000 0.517 862 N N 0.979 119.682 118.700 0.005 0.000 2.438 862 N HA 0.348 5.090 4.740 0.003 0.000 0.267 862 N C 0.609 176.097 175.510 -0.038 0.000 1.222 862 N CA 0.068 53.112 53.050 -0.010 0.000 0.930 862 N CB 1.446 39.930 38.487 -0.005 0.000 1.083 862 N HN 0.192 nan 8.380 nan 0.000 0.476 863 V N 3.673 123.537 119.914 -0.083 0.000 2.599 863 V HA -0.060 4.062 4.120 0.003 0.000 0.300 863 V C 1.560 177.520 176.094 -0.223 0.000 1.034 863 V CA 0.394 62.575 62.300 -0.200 0.000 1.115 863 V CB 0.360 31.928 31.823 -0.424 0.000 0.934 863 V HN 0.552 nan 8.190 nan 0.000 0.485 864 I N 3.118 123.573 120.570 -0.191 0.000 2.927 864 I HA 0.166 4.338 4.170 0.003 0.000 0.268 864 I C 0.915 176.893 176.117 -0.231 0.000 1.153 864 I CA 0.868 62.074 61.300 -0.158 0.000 1.459 864 I CB 0.141 38.092 38.000 -0.081 0.000 1.149 864 I HN 0.609 nan 8.210 nan 0.000 0.443 865 Q N -1.308 118.324 119.800 -0.281 0.000 2.295 865 Q HA 0.302 4.644 4.340 0.003 0.000 0.268 865 Q C -0.405 175.459 176.000 -0.226 0.000 1.010 865 Q CA -0.422 55.246 55.803 -0.226 0.000 0.856 865 Q CB 1.840 30.528 28.738 -0.083 0.000 1.349 865 Q HN 0.069 nan 8.270 nan 0.000 0.412 866 F N 1.432 121.406 119.950 0.039 0.000 2.234 866 F HA 0.061 4.590 4.527 0.003 0.000 0.296 866 F C 0.733 176.566 175.800 0.056 0.000 1.089 866 F CA 0.654 58.681 58.000 0.045 0.000 1.343 866 F CB 0.463 39.482 39.000 0.032 0.000 1.040 866 F HN 0.396 nan 8.300 nan 0.000 0.498 867 I N -2.538 118.155 120.570 0.206 0.000 2.569 867 I HA 0.204 4.376 4.170 0.003 0.000 0.296 867 I C -0.671 175.519 176.117 0.121 0.000 1.028 867 I CA -1.432 59.960 61.300 0.154 0.000 1.082 867 I CB 0.590 38.665 38.000 0.125 0.000 1.264 867 I HN -0.177 nan 8.210 nan 0.000 0.429 868 Y N 4.636 124.958 120.300 0.037 0.000 2.717 868 Y HA 0.353 4.905 4.550 0.003 0.000 0.330 868 Y C 1.400 177.317 175.900 0.029 0.000 1.217 868 Y CA 1.073 59.183 58.100 0.017 0.000 1.506 868 Y CB 0.394 38.856 38.460 0.003 0.000 1.268 868 Y HN 0.954 nan 8.280 nan 0.000 0.561 869 G N 4.050 112.339 108.800 -0.852 0.000 2.166 869 G HA2 -0.400 3.562 3.960 0.003 0.000 0.260 869 G HA3 -0.400 3.562 3.960 0.003 0.000 0.260 869 G C 0.507 175.318 174.900 -0.148 0.000 0.986 869 G CA 0.763 45.477 45.100 -0.643 0.000 0.683 869 G HN 1.011 nan 8.290 nan 0.000 0.527 870 E N -1.619 118.538 120.200 -0.072 0.000 3.628 870 E HA -0.242 4.110 4.350 0.003 0.000 0.309 870 E C 1.014 177.630 176.600 0.027 0.000 0.839 870 E CA 1.932 58.348 56.400 0.026 0.000 1.123 870 E CB -0.834 28.920 29.700 0.091 0.000 1.568 870 E HN 0.911 nan 8.360 nan 0.000 0.440 871 D N -2.110 118.303 120.400 0.021 0.000 2.411 871 D HA 0.095 4.737 4.640 0.003 0.000 0.374 871 D C 0.927 177.260 176.300 0.055 0.000 1.187 871 D CA 0.689 54.714 54.000 0.042 0.000 0.928 871 D CB -0.376 40.442 40.800 0.030 0.000 1.402 871 D HN 0.539 nan 8.370 nan 0.000 0.478 872 G N 1.436 110.287 108.800 0.085 0.000 2.272 872 G HA2 -0.245 3.717 3.960 0.003 0.000 0.280 872 G HA3 -0.245 3.717 3.960 0.003 0.000 0.280 872 G C -0.276 174.670 174.900 0.076 0.000 1.067 872 G CA 0.699 45.872 45.100 0.121 0.000 0.902 872 G HN 0.423 nan 8.290 nan 0.000 0.500 873 M N 0.768 120.427 119.600 0.098 0.000 2.321 873 M HA 0.453 4.935 4.480 0.003 0.000 0.315 873 M C -0.233 176.174 176.300 0.179 0.000 1.052 873 M CA -1.085 54.242 55.300 0.044 0.000 0.936 873 M CB 1.491 34.062 32.600 -0.049 0.000 1.639 873 M HN 0.169 nan 8.290 nan 0.000 0.433 874 D N 2.876 123.376 120.400 0.167 0.000 2.425 874 D HA 0.185 4.827 4.640 0.003 0.000 0.247 874 D C 0.473 176.848 176.300 0.126 0.000 1.147 874 D CA 0.297 54.405 54.000 0.181 0.000 0.879 874 D CB 1.435 42.361 40.800 0.210 0.000 1.179 874 D HN 0.791 nan 8.370 nan 0.000 0.456 875 A N 3.782 126.670 122.820 0.112 0.000 2.216 875 A HA 0.062 4.384 4.320 0.003 0.000 0.214 875 A C 1.991 179.573 177.584 -0.002 0.000 1.160 875 A CA 1.334 53.412 52.037 0.069 0.000 0.725 875 A CB -0.252 18.790 19.000 0.070 0.000 0.784 875 A HN 0.641 nan 8.150 nan 0.000 0.472 876 A N -0.350 122.380 122.820 -0.150 0.000 1.902 876 A HA -0.139 4.183 4.320 0.003 0.000 0.217 876 A C 1.551 178.964 177.584 -0.285 0.000 1.181 876 A CA 1.230 53.076 52.037 -0.319 0.000 0.623 876 A CB -0.678 17.956 19.000 -0.609 0.000 0.818 876 A HN 0.680 nan 8.150 nan 0.000 0.443 877 H N -1.088 118.023 119.070 0.069 0.000 2.605 877 H HA 0.443 5.001 4.556 0.003 0.000 0.308 877 H C -0.583 174.775 175.328 0.050 0.000 1.080 877 H CA -0.082 56.000 56.048 0.057 0.000 1.119 877 H CB -0.358 29.407 29.762 0.006 0.000 1.479 877 H HN 0.337 nan 8.280 nan 0.000 0.537 878 I N 1.632 122.287 120.570 0.140 0.000 2.465 878 I HA 0.214 4.386 4.170 0.003 0.000 0.291 878 I C -0.198 176.020 176.117 0.168 0.000 1.014 878 I CA -0.539 60.842 61.300 0.135 0.000 1.093 878 I CB 2.287 40.362 38.000 0.125 0.000 1.267 878 I HN 0.071 nan 8.210 nan 0.000 0.431 879 E N 4.719 124.997 120.200 0.130 0.000 2.266 879 E HA 0.277 4.629 4.350 0.003 0.000 0.268 879 E C -1.031 175.623 176.600 0.089 0.000 0.879 879 E CA -1.123 55.330 56.400 0.089 0.000 0.762 879 E CB 2.771 32.454 29.700 -0.028 0.000 1.199 879 E HN 0.344 nan 8.360 nan 0.000 0.422 880 K N 3.224 123.664 120.400 0.067 0.000 2.307 880 K HA -0.017 4.305 4.320 0.003 0.000 0.285 880 K C -0.735 175.868 176.600 0.006 0.000 1.073 880 K CA 0.239 56.539 56.287 0.021 0.000 0.996 880 K CB 0.045 32.527 32.500 -0.030 0.000 0.994 880 K HN 0.411 nan 8.250 nan 0.000 0.452 881 Q N 2.489 122.311 119.800 0.036 0.000 2.321 881 Q HA 0.222 4.564 4.340 0.003 0.000 0.270 881 Q C -0.573 175.452 176.000 0.042 0.000 1.032 881 Q CA -0.946 54.878 55.803 0.035 0.000 0.784 881 Q CB 1.635 30.405 28.738 0.055 0.000 1.264 881 Q HN 0.512 nan 8.270 nan 0.000 0.448 882 S N 3.070 118.781 115.700 0.018 0.000 2.566 882 S HA 0.108 4.580 4.470 0.003 0.000 0.280 882 S C -0.086 174.557 174.600 0.071 0.000 1.343 882 S CA -0.308 57.905 58.200 0.022 0.000 1.036 882 S CB 0.262 63.466 63.200 0.006 0.000 0.866 882 S HN 0.666 nan 8.310 nan 0.000 0.526 883 L N 2.836 124.118 121.223 0.099 0.000 2.426 883 L HA 0.312 4.654 4.340 0.003 0.000 0.255 883 L C -0.060 176.883 176.870 0.122 0.000 1.080 883 L CA -0.570 54.350 54.840 0.132 0.000 0.960 883 L CB 0.696 42.884 42.059 0.215 0.000 1.326 883 L HN 0.800 nan 8.230 nan 0.000 0.441 884 D N -1.722 118.750 120.400 0.119 0.000 2.358 884 D HA -0.101 4.541 4.640 0.003 0.000 0.241 884 D C 1.409 177.822 176.300 0.188 0.000 1.094 884 D CA 0.262 54.350 54.000 0.147 0.000 0.907 884 D CB -0.261 40.629 40.800 0.149 0.000 0.893 884 D HN 0.338 nan 8.370 nan 0.000 0.528 885 T N -0.559 114.077 114.554 0.137 0.000 2.985 885 T HA 0.065 4.417 4.350 0.003 0.000 0.266 885 T C 1.825 176.611 174.700 0.143 0.000 1.076 885 T CA 0.368 62.536 62.100 0.114 0.000 1.135 885 T CB 0.254 69.145 68.868 0.039 0.000 0.890 885 T HN 0.222 nan 8.240 nan 0.000 0.480 886 I N 0.939 121.592 120.570 0.138 0.000 3.691 886 I HA 0.239 4.411 4.170 0.003 0.000 0.226 886 I C 1.878 178.095 176.117 0.167 0.000 1.020 886 I CA -0.027 61.353 61.300 0.134 0.000 1.479 886 I CB -0.995 37.087 38.000 0.136 0.000 1.350 886 I HN 0.244 nan 8.210 nan 0.000 0.438 887 G N 0.298 109.170 108.800 0.121 0.000 2.562 887 G HA2 0.357 4.319 3.960 0.003 0.000 0.233 887 G HA3 0.357 4.319 3.960 0.003 0.000 0.233 887 G C 0.092 175.106 174.900 0.191 0.000 1.266 887 G CA 0.532 45.728 45.100 0.159 0.000 0.852 887 G HN 0.914 nan 8.290 nan 0.000 0.581 888 G N -0.084 108.845 108.800 0.215 0.000 3.434 888 G HA2 0.318 4.280 3.960 0.003 0.000 0.686 888 G HA3 0.318 4.280 3.960 0.003 0.000 0.686 888 G C 0.066 175.061 174.900 0.159 0.000 1.099 888 G CA -0.094 45.103 45.100 0.162 0.000 0.931 888 G HN 1.949 nan 8.290 nan 0.000 0.520 889 S N 1.180 116.951 115.700 0.117 0.000 4.427 889 S HA -0.181 4.291 4.470 0.003 0.000 0.806 889 S C 1.250 175.926 174.600 0.126 0.000 1.224 889 S CA 0.690 58.951 58.200 0.101 0.000 1.100 889 S CB 0.366 63.624 63.200 0.097 0.000 2.015 889 S HN 0.768 nan 8.310 nan 0.000 0.316 890 D N 2.110 122.557 120.400 0.079 0.000 2.178 890 D HA -0.105 4.537 4.640 0.003 0.000 0.201 890 D C 2.069 178.475 176.300 0.176 0.000 0.980 890 D CA 1.509 55.562 54.000 0.088 0.000 0.842 890 D CB -0.241 40.578 40.800 0.031 0.000 0.948 890 D HN 0.664 nan 8.370 nan 0.000 0.472 891 A N 1.292 124.195 122.820 0.139 0.000 1.841 891 A HA -0.022 4.300 4.320 0.003 0.000 0.214 891 A C 2.353 180.039 177.584 0.169 0.000 1.195 891 A CA 2.029 54.151 52.037 0.142 0.000 0.611 891 A CB -0.808 18.246 19.000 0.091 0.000 0.835 891 A HN 0.218 nan 8.150 nan 0.000 0.443 892 A N -1.598 121.313 122.820 0.151 0.000 2.076 892 A HA -0.073 4.248 4.320 0.003 0.000 0.220 892 A C 1.982 179.692 177.584 0.209 0.000 1.160 892 A CA 1.582 53.703 52.037 0.139 0.000 0.653 892 A CB -0.708 18.358 19.000 0.111 0.000 0.801 892 A HN 0.718 nan 8.150 nan 0.000 0.455 893 F N 0.214 120.250 119.950 0.143 0.000 2.163 893 F HA -0.027 4.502 4.527 0.003 0.000 0.297 893 F C 2.095 178.076 175.800 0.302 0.000 1.094 893 F CA 1.792 59.921 58.000 0.216 0.000 1.290 893 F CB -0.115 38.962 39.000 0.128 0.000 1.017 893 F HN 0.361 nan 8.300 nan 0.000 0.483 894 E N 0.712 121.188 120.200 0.459 0.000 2.012 894 E HA -0.228 4.124 4.350 0.003 0.000 0.197 894 E C 1.148 177.855 176.600 0.180 0.000 1.007 894 E CA 1.232 57.869 56.400 0.396 0.000 0.816 894 E CB -0.182 29.716 29.700 0.331 0.000 0.762 894 E HN 0.248 nan 8.360 nan 0.000 0.451 895 K N 0.377 120.844 120.400 0.112 0.000 3.319 895 K HA -0.021 4.301 4.320 0.003 0.000 0.296 895 K C 0.928 177.489 176.600 -0.064 0.000 0.916 895 K CA 0.124 56.414 56.287 0.005 0.000 1.103 895 K CB 0.181 32.679 32.500 -0.003 0.000 1.142 895 K HN 0.010 nan 8.250 nan 0.000 0.416 896 R N -1.284 119.154 120.500 -0.105 0.000 2.390 896 R HA 0.036 4.378 4.340 0.003 0.000 0.201 896 R C -0.014 175.913 176.300 -0.623 0.000 0.908 896 R CA 0.420 56.326 56.100 -0.323 0.000 1.480 896 R CB 0.608 30.754 30.300 -0.256 0.000 1.681 896 R HN 0.233 nan 8.270 nan 0.000 0.464 897 Y N -0.718 119.466 120.300 -0.192 0.000 2.450 897 Y HA 0.373 4.925 4.550 0.003 0.000 0.279 897 Y C 0.600 176.574 175.900 0.124 0.000 1.106 897 Y CA -0.413 57.605 58.100 -0.136 0.000 1.143 897 Y CB 0.534 38.734 38.460 -0.434 0.000 1.328 897 Y HN -0.343 nan 8.280 nan 0.000 0.553 898 R N 2.227 122.906 120.500 0.298 0.000 2.404 898 R HA 0.212 4.554 4.340 0.003 0.000 0.315 898 R C -0.933 175.370 176.300 0.006 0.000 1.032 898 R CA 0.096 56.193 56.100 -0.006 0.000 0.992 898 R CB 0.646 30.797 30.300 -0.249 0.000 0.959 898 R HN -0.020 nan 8.270 nan 0.000 0.428 899 V N 5.807 125.722 119.914 0.003 0.000 2.305 899 V HA 0.146 4.268 4.120 0.003 0.000 0.275 899 V C -0.829 175.258 176.094 -0.012 0.000 1.020 899 V CA -0.752 61.549 62.300 0.003 0.000 0.811 899 V CB 1.378 33.208 31.823 0.013 0.000 1.031 899 V HN 0.597 nan 8.190 nan 0.000 0.439 900 D N 4.726 125.126 120.400 0.001 0.000 2.274 900 D HA 0.335 4.977 4.640 0.003 0.000 0.239 900 D C 0.768 177.071 176.300 0.003 0.000 1.104 900 D CA -0.174 53.818 54.000 -0.014 0.000 0.840 900 D CB 2.028 42.813 40.800 -0.025 0.000 1.100 900 D HN 0.442 nan 8.370 nan 0.000 0.477 901 L N 2.867 124.085 121.223 -0.009 0.000 2.145 901 L HA -0.006 4.336 4.340 0.003 0.000 0.201 901 L C 1.280 178.146 176.870 -0.007 0.000 1.075 901 L CA 0.491 55.328 54.840 -0.006 0.000 0.773 901 L CB -0.220 41.834 42.059 -0.009 0.000 0.936 901 L HN 0.416 nan 8.230 nan 0.000 0.451 902 L N -0.589 120.625 121.223 -0.015 0.000 2.672 902 L HA 0.349 4.691 4.340 0.003 0.000 0.238 902 L C -0.275 176.584 176.870 -0.020 0.000 1.392 902 L CA 0.345 55.175 54.840 -0.017 0.000 1.238 902 L CB -0.997 41.049 42.059 -0.022 0.000 1.548 902 L HN 0.086 nan 8.230 nan 0.000 0.423 903 N N -0.931 117.767 118.700 -0.002 0.000 2.616 903 N HA 0.155 4.897 4.740 0.003 0.000 0.281 903 N C 0.622 176.156 175.510 0.040 0.000 1.145 903 N CA -0.030 53.026 53.050 0.010 0.000 0.919 903 N CB 1.455 39.940 38.487 -0.005 0.000 1.509 903 N HN 0.106 nan 8.380 nan 0.000 0.537 904 T N 0.896 115.466 114.554 0.027 0.000 2.597 904 T HA -0.146 4.206 4.350 0.003 0.000 0.267 904 T C 0.718 175.440 174.700 0.037 0.000 1.053 904 T CA 1.490 63.605 62.100 0.024 0.000 1.165 904 T CB -0.119 68.757 68.868 0.014 0.000 0.863 904 T HN 0.542 nan 8.240 nan 0.000 0.427 905 D N -0.254 120.187 120.400 0.068 0.000 2.350 905 D HA -0.056 4.585 4.640 0.003 0.000 0.216 905 D C 1.042 177.368 176.300 0.043 0.000 0.968 905 D CA 0.999 55.042 54.000 0.071 0.000 0.894 905 D CB -0.005 40.867 40.800 0.120 0.000 0.909 905 D HN 0.477 nan 8.370 nan 0.000 0.520 906 H N -1.061 117.990 119.070 -0.032 0.000 2.785 906 H HA 0.159 4.716 4.556 0.003 0.000 0.268 906 H C 0.044 175.346 175.328 -0.043 0.000 1.153 906 H CA -0.004 56.020 56.048 -0.040 0.000 1.111 906 H CB 0.666 30.399 29.762 -0.049 0.000 1.633 906 H HN -0.122 nan 8.280 nan 0.000 0.576 907 T N 0.062 114.639 114.554 0.039 0.000 2.824 907 T HA 0.290 4.642 4.350 0.003 0.000 0.277 907 T C 0.449 175.138 174.700 -0.018 0.000 0.975 907 T CA -0.801 61.305 62.100 0.010 0.000 0.966 907 T CB 1.221 70.092 68.868 0.005 0.000 1.054 907 T HN 0.070 nan 8.240 nan 0.000 0.533 908 L N 2.148 123.360 121.223 -0.018 0.000 2.433 908 L HA 0.164 4.506 4.340 0.003 0.000 0.275 908 L C 0.774 177.630 176.870 -0.022 0.000 1.128 908 L CA -0.527 54.298 54.840 -0.025 0.000 0.875 908 L CB -0.090 41.956 42.059 -0.022 0.000 1.171 908 L HN 0.608 nan 8.230 nan 0.000 0.463 909 D N 6.431 126.815 120.400 -0.026 0.000 2.525 909 D HA -0.021 4.621 4.640 0.003 0.000 0.235 909 D C -1.277 175.014 176.300 -0.016 0.000 1.137 909 D CA -1.477 52.511 54.000 -0.021 0.000 0.868 909 D CB 1.150 41.937 40.800 -0.022 0.000 1.180 909 D HN 0.278 nan 8.370 nan 0.000 0.465 910 P HA -0.157 nan 4.420 nan 0.000 0.226 910 P C 1.266 178.560 177.300 -0.010 0.000 1.146 910 P CA 0.685 63.778 63.100 -0.012 0.000 0.773 910 P CB 0.147 31.841 31.700 -0.010 0.000 0.772 911 S N -0.213 115.481 115.700 -0.010 0.000 2.370 911 S HA -0.151 4.321 4.470 0.003 0.000 0.226 911 S C 1.931 176.528 174.600 -0.005 0.000 1.033 911 S CA 1.015 59.211 58.200 -0.006 0.000 1.011 911 S CB -1.051 62.145 63.200 -0.006 0.000 0.852 911 S HN 0.046 nan 8.310 nan 0.000 0.457 912 L N -0.133 121.085 121.223 -0.009 0.000 2.023 912 L HA 0.241 4.583 4.340 0.003 0.000 0.205 912 L C 0.827 177.692 176.870 -0.009 0.000 1.073 912 L CA 0.643 55.478 54.840 -0.007 0.000 0.745 912 L CB -0.179 41.871 42.059 -0.014 0.000 0.900 912 L HN 0.375 nan 8.230 nan 0.000 0.435 913 L N -1.576 119.639 121.223 -0.013 0.000 2.354 913 L HA 0.237 4.579 4.340 0.003 0.000 0.269 913 L C 0.892 177.752 176.870 -0.017 0.000 1.005 913 L CA -0.165 54.665 54.840 -0.016 0.000 0.819 913 L CB 1.565 43.612 42.059 -0.020 0.000 1.311 913 L HN 0.005 nan 8.230 nan 0.000 0.423 914 E N 0.735 120.924 120.200 -0.019 0.000 2.049 914 E HA -0.208 4.144 4.350 0.003 0.000 0.198 914 E C 1.401 177.991 176.600 -0.018 0.000 1.007 914 E CA 2.310 58.699 56.400 -0.018 0.000 0.809 914 E CB 0.165 29.853 29.700 -0.021 0.000 0.749 914 E HN 0.868 nan 8.360 nan 0.000 0.450 915 S N -0.008 115.680 115.700 -0.021 0.000 2.500 915 S HA -0.093 4.379 4.470 0.003 0.000 0.239 915 S C 1.887 176.476 174.600 -0.018 0.000 0.989 915 S CA 0.501 58.688 58.200 -0.021 0.000 0.951 915 S CB -0.473 62.712 63.200 -0.025 0.000 0.759 915 S HN 0.528 nan 8.310 nan 0.000 0.523 916 G N 2.534 111.324 108.800 -0.017 0.000 2.663 916 G HA2 -0.380 3.582 3.960 0.003 0.000 0.222 916 G HA3 -0.380 3.582 3.960 0.003 0.000 0.222 916 G C 1.640 176.532 174.900 -0.013 0.000 1.146 916 G CA 1.786 46.877 45.100 -0.015 0.000 0.764 916 G HN 0.743 nan 8.290 nan 0.000 0.608 917 S N 0.773 116.466 115.700 -0.012 0.000 2.439 917 S HA 0.034 4.506 4.470 0.003 0.000 0.224 917 S C 2.027 176.621 174.600 -0.010 0.000 1.029 917 S CA 1.274 59.468 58.200 -0.010 0.000 0.946 917 S CB -0.026 63.168 63.200 -0.009 0.000 0.797 917 S HN 0.660 nan 8.310 nan 0.000 0.504 918 E N 1.628 121.821 120.200 -0.012 0.000 2.274 918 E HA 0.003 4.355 4.350 0.003 0.000 0.194 918 E C 1.747 178.340 176.600 -0.012 0.000 0.996 918 E CA 0.785 57.178 56.400 -0.012 0.000 0.840 918 E CB -0.412 29.281 29.700 -0.013 0.000 0.772 918 E HN 0.445 nan 8.360 nan 0.000 0.491 919 I N 1.129 121.691 120.570 -0.013 0.000 2.353 919 I HA -0.019 4.153 4.170 0.003 0.000 0.248 919 I C 1.384 177.494 176.117 -0.011 0.000 1.119 919 I CA 0.327 61.619 61.300 -0.013 0.000 1.417 919 I CB -0.982 37.009 38.000 -0.015 0.000 1.078 919 I HN 0.286 nan 8.210 nan 0.000 0.421 920 L N 1.922 123.139 121.223 -0.010 0.000 2.720 920 L HA -0.105 4.237 4.340 0.003 0.000 0.289 920 L C 1.163 178.028 176.870 -0.009 0.000 1.232 920 L CA 0.939 55.774 54.840 -0.008 0.000 0.915 920 L CB -0.066 41.989 42.059 -0.007 0.000 1.184 920 L HN 0.626 nan 8.230 nan 0.000 0.491 921 G N 3.034 111.829 108.800 -0.009 0.000 2.305 921 G HA2 -0.284 3.678 3.960 0.003 0.000 0.287 921 G HA3 -0.284 3.678 3.960 0.003 0.000 0.287 921 G C 0.334 175.228 174.900 -0.011 0.000 1.036 921 G CA 0.430 45.524 45.100 -0.010 0.000 0.887 921 G HN 0.825 nan 8.290 nan 0.000 0.505 922 D N -1.227 119.167 120.400 -0.011 0.000 2.325 922 D HA 0.487 5.129 4.640 0.003 0.000 0.262 922 D C 1.652 177.946 176.300 -0.010 0.000 1.263 922 D CA 0.140 54.134 54.000 -0.010 0.000 1.020 922 D CB 0.614 41.408 40.800 -0.011 0.000 1.117 922 D HN 0.166 nan 8.370 nan 0.000 0.545 923 L N -0.737 120.480 121.223 -0.009 0.000 3.481 923 L HA 0.096 4.438 4.340 0.003 0.000 0.338 923 L C 1.769 178.635 176.870 -0.007 0.000 1.039 923 L CA -0.026 54.809 54.840 -0.009 0.000 1.313 923 L CB 0.594 42.647 42.059 -0.009 0.000 2.046 923 L HN 0.150 nan 8.230 nan 0.000 0.609 924 K N 0.390 120.786 120.400 -0.007 0.000 2.393 924 K HA 0.231 4.553 4.320 0.003 0.000 0.193 924 K C 1.397 177.994 176.600 -0.005 0.000 1.026 924 K CA 0.494 56.778 56.287 -0.006 0.000 1.064 924 K CB 0.612 33.108 32.500 -0.007 0.000 0.833 924 K HN 0.275 nan 8.250 nan 0.000 0.521 925 L N -0.233 120.986 121.223 -0.006 0.000 2.575 925 L HA 0.105 4.447 4.340 0.003 0.000 0.228 925 L C 1.905 178.775 176.870 -0.000 0.000 1.075 925 L CA 0.028 54.865 54.840 -0.004 0.000 0.867 925 L CB 0.059 42.113 42.059 -0.008 0.000 1.097 925 L HN -0.014 nan 8.230 nan 0.000 0.485 926 Q N 0.138 119.936 119.800 -0.003 0.000 2.482 926 Q HA 0.015 4.356 4.340 0.003 0.000 0.209 926 Q C 1.907 177.909 176.000 0.004 0.000 0.961 926 Q CA 0.688 56.489 55.803 -0.002 0.000 0.945 926 Q CB 0.616 29.347 28.738 -0.011 0.000 1.012 926 Q HN 0.321 nan 8.270 nan 0.000 0.515 927 V N -0.391 119.526 119.914 0.006 0.000 3.307 927 V HA 0.002 4.124 4.120 0.003 0.000 0.253 927 V C 1.762 177.866 176.094 0.017 0.000 1.149 927 V CA 0.504 62.811 62.300 0.010 0.000 1.112 927 V CB 0.171 31.997 31.823 0.005 0.000 0.777 927 V HN 0.230 nan 8.190 nan 0.000 0.464 928 L N -0.965 120.266 121.223 0.015 0.000 2.127 928 L HA 0.048 4.390 4.340 0.003 0.000 0.203 928 L C 2.188 179.079 176.870 0.035 0.000 1.080 928 L CA 1.089 55.941 54.840 0.020 0.000 0.768 928 L CB -0.186 41.879 42.059 0.010 0.000 0.924 928 L HN 0.252 nan 8.230 nan 0.000 0.444 929 L N -0.418 120.825 121.223 0.033 0.000 2.275 929 L HA -0.169 4.173 4.340 0.003 0.000 0.215 929 L C 1.842 178.760 176.870 0.079 0.000 1.119 929 L CA 0.702 55.573 54.840 0.051 0.000 0.790 929 L CB -0.466 41.612 42.059 0.030 0.000 0.919 929 L HN 0.300 nan 8.230 nan 0.000 0.443 930 D N -0.084 120.354 120.400 0.062 0.000 2.091 930 D HA -0.191 4.451 4.640 0.003 0.000 0.199 930 D C 1.945 178.310 176.300 0.108 0.000 0.980 930 D CA 0.836 54.890 54.000 0.091 0.000 0.831 930 D CB -0.028 40.804 40.800 0.054 0.000 0.987 930 D HN 0.077 nan 8.370 nan 0.000 0.460 931 E N 1.243 121.483 120.200 0.066 0.000 2.197 931 E HA -0.249 4.103 4.350 0.003 0.000 0.205 931 E C 1.679 178.314 176.600 0.058 0.000 1.029 931 E CA 1.419 57.849 56.400 0.050 0.000 0.828 931 E CB -0.077 29.641 29.700 0.030 0.000 0.737 931 E HN 0.408 nan 8.360 nan 0.000 0.464 932 E N -1.239 119.010 120.200 0.082 0.000 2.004 932 E HA -0.185 4.167 4.350 0.003 0.000 0.194 932 E C 1.919 178.593 176.600 0.123 0.000 0.981 932 E CA 0.810 57.265 56.400 0.092 0.000 0.842 932 E CB -0.584 29.183 29.700 0.112 0.000 0.796 932 E HN 0.419 nan 8.360 nan 0.000 0.477 933 Y N 1.464 121.798 120.300 0.056 0.000 2.425 933 Y HA -0.251 4.301 4.550 0.003 0.000 0.285 933 Y C 2.187 178.141 175.900 0.089 0.000 1.170 933 Y CA 1.861 60.012 58.100 0.086 0.000 1.304 933 Y CB 0.097 38.612 38.460 0.092 0.000 0.972 933 Y HN 0.029 nan 8.280 nan 0.000 0.558 934 K N -0.546 119.947 120.400 0.154 0.000 2.166 934 K HA -0.157 4.165 4.320 0.003 0.000 0.201 934 K C 2.092 178.688 176.600 -0.008 0.000 1.052 934 K CA 0.998 57.333 56.287 0.080 0.000 0.969 934 K CB 0.012 32.565 32.500 0.088 0.000 0.761 934 K HN 0.275 nan 8.250 nan 0.000 0.459 935 Q N 0.648 120.442 119.800 -0.011 0.000 2.230 935 Q HA -0.032 4.310 4.340 0.003 0.000 0.202 935 Q C 1.798 177.752 176.000 -0.076 0.000 0.963 935 Q CA 0.937 56.714 55.803 -0.044 0.000 0.866 935 Q CB 0.035 28.753 28.738 -0.034 0.000 0.931 935 Q HN 0.222 nan 8.270 nan 0.000 0.452 936 L N -0.386 120.785 121.223 -0.086 0.000 2.083 936 L HA -0.122 4.219 4.340 0.003 0.000 0.209 936 L C 2.159 178.958 176.870 -0.118 0.000 1.083 936 L CA 1.184 55.955 54.840 -0.115 0.000 0.752 936 L CB -0.896 41.060 42.059 -0.173 0.000 0.899 936 L HN 0.222 nan 8.230 nan 0.000 0.433 937 V N -0.281 119.516 119.914 -0.196 0.000 2.379 937 V HA -0.203 3.919 4.120 0.003 0.000 0.245 937 V C 2.547 178.536 176.094 -0.177 0.000 1.044 937 V CA 1.238 63.379 62.300 -0.266 0.000 1.036 937 V CB -0.448 31.241 31.823 -0.223 0.000 0.664 937 V HN 0.396 nan 8.190 nan 0.000 0.453 938 K N -0.260 120.074 120.400 -0.110 0.000 2.360 938 K HA -0.188 4.134 4.320 0.003 0.000 0.201 938 K C 1.512 178.075 176.600 -0.062 0.000 1.046 938 K CA 1.294 57.538 56.287 -0.071 0.000 0.945 938 K CB -0.187 32.279 32.500 -0.057 0.000 0.750 938 K HN 0.470 nan 8.250 nan 0.000 0.464 939 D N 0.516 120.862 120.400 -0.089 0.000 2.113 939 D HA -0.120 4.522 4.640 0.003 0.000 0.206 939 D C 1.922 178.207 176.300 -0.026 0.000 0.979 939 D CA 0.649 54.608 54.000 -0.068 0.000 0.862 939 D CB -0.241 40.500 40.800 -0.097 0.000 1.013 939 D HN 0.168 nan 8.370 nan 0.000 0.455 940 R N 1.212 121.645 120.500 -0.111 0.000 2.189 940 R HA -0.273 4.069 4.340 0.003 0.000 0.252 940 R C 2.133 178.378 176.300 -0.093 0.000 1.134 940 R CA 2.205 58.215 56.100 -0.150 0.000 0.954 940 R CB -0.139 29.901 30.300 -0.433 0.000 0.890 940 R HN 0.040 nan 8.270 nan 0.000 0.443 941 K N -0.479 119.859 120.400 -0.104 0.000 1.985 941 K HA -0.205 4.117 4.320 0.003 0.000 0.210 941 K C 2.010 178.594 176.600 -0.027 0.000 1.047 941 K CA 1.923 58.167 56.287 -0.071 0.000 0.932 941 K CB -0.465 31.989 32.500 -0.076 0.000 0.716 941 K HN 0.232 nan 8.250 nan 0.000 0.439 942 F N 1.516 121.387 119.950 -0.131 0.000 2.141 942 F HA -0.284 4.244 4.527 0.003 0.000 0.300 942 F C 1.536 177.221 175.800 -0.191 0.000 1.079 942 F CA 1.543 59.455 58.000 -0.148 0.000 1.264 942 F CB -0.052 38.862 39.000 -0.143 0.000 1.011 942 F HN 0.039 nan 8.300 nan 0.000 0.487 943 L N -0.122 121.130 121.223 0.047 0.000 2.044 943 L HA -0.135 4.207 4.340 0.003 0.000 0.205 943 L C 2.588 179.372 176.870 -0.144 0.000 1.075 943 L CA 1.207 55.986 54.840 -0.100 0.000 0.747 943 L CB -0.646 41.456 42.059 0.072 0.000 0.903 943 L HN -0.012 nan 8.230 nan 0.000 0.435 944 R N -0.145 120.334 120.500 -0.035 0.000 2.249 944 R HA -0.200 4.142 4.340 0.003 0.000 0.230 944 R C 1.963 178.223 176.300 -0.067 0.000 1.121 944 R CA 1.103 57.226 56.100 0.038 0.000 0.997 944 R CB -0.119 30.227 30.300 0.078 0.000 0.867 944 R HN 0.459 nan 8.270 nan 0.000 0.465 945 E N 0.143 120.213 120.200 -0.216 0.000 2.276 945 E HA -0.046 4.306 4.350 0.003 0.000 0.193 945 E C 1.428 177.770 176.600 -0.430 0.000 0.983 945 E CA 0.225 56.448 56.400 -0.296 0.000 0.861 945 E CB 0.493 29.997 29.700 -0.327 0.000 0.817 945 E HN 0.042 nan 8.360 nan 0.000 0.485 946 V N 0.695 120.225 119.914 -0.640 0.000 2.325 946 V HA -0.094 4.028 4.120 0.003 0.000 0.229 946 V C 0.752 176.585 176.094 -0.434 0.000 1.062 946 V CA 0.914 62.786 62.300 -0.713 0.000 1.039 946 V CB -0.513 30.621 31.823 -1.149 0.000 0.667 946 V HN 0.173 nan 8.190 nan 0.000 0.474 947 F N 1.360 121.164 119.950 -0.243 0.000 2.670 947 F HA 0.180 4.708 4.527 0.003 0.000 0.345 947 F C 1.352 177.125 175.800 -0.046 0.000 1.303 947 F CA -0.716 57.210 58.000 -0.123 0.000 1.172 947 F CB -1.544 37.437 39.000 -0.032 0.000 1.602 947 F HN -0.167 nan 8.300 nan 0.000 0.679 948 V N 1.014 120.985 119.914 0.095 0.000 2.453 948 V HA -0.336 3.786 4.120 0.003 0.000 0.252 948 V C 1.635 177.809 176.094 0.134 0.000 1.068 948 V CA 2.021 64.371 62.300 0.083 0.000 1.070 948 V CB -0.568 31.266 31.823 0.019 0.000 0.664 948 V HN 0.466 nan 8.190 nan 0.000 0.461 949 D N 0.434 120.899 120.400 0.108 0.000 2.172 949 D HA -0.062 4.580 4.640 0.003 0.000 0.196 949 D C 1.958 178.209 176.300 -0.081 0.000 0.999 949 D CA 1.941 55.965 54.000 0.041 0.000 0.856 949 D CB -0.413 40.409 40.800 0.036 0.000 0.934 949 D HN 0.544 nan 8.370 nan 0.000 0.453 950 G N -0.116 108.509 108.800 -0.291 0.000 2.317 950 G HA2 -0.327 3.635 3.960 0.003 0.000 0.227 950 G HA3 -0.327 3.635 3.960 0.003 0.000 0.227 950 G C 0.312 174.917 174.900 -0.492 0.000 1.042 950 G CA 0.181 44.657 45.100 -1.040 0.000 0.623 950 G HN 0.421 nan 8.290 nan 0.000 0.509 951 E N 1.233 121.289 120.200 -0.241 0.000 2.465 951 E HA 0.528 4.880 4.350 0.003 0.000 0.260 951 E C 0.443 176.997 176.600 -0.078 0.000 0.980 951 E CA 1.035 57.313 56.400 -0.202 0.000 0.927 951 E CB 0.593 30.138 29.700 -0.257 0.000 0.934 951 E HN 1.285 nan 8.360 nan 0.000 0.459 952 A N 5.329 128.071 122.820 -0.130 0.000 3.415 952 A HA 0.260 4.582 4.320 0.003 0.000 0.244 952 A C -1.047 176.480 177.584 -0.095 0.000 0.988 952 A CA -0.755 51.314 52.037 0.053 0.000 0.991 952 A CB 0.092 19.173 19.000 0.135 0.000 1.240 952 A HN 0.518 nan 8.150 nan 0.000 0.541 953 N N 0.849 119.278 118.700 -0.453 0.000 2.804 953 N HA 0.287 5.029 4.740 0.003 0.000 0.251 953 N C -1.732 173.424 175.510 -0.590 0.000 1.250 953 N CA 0.164 52.983 53.050 -0.386 0.000 0.820 953 N CB 0.508 38.782 38.487 -0.354 0.000 1.156 953 N HN 0.625 nan 8.380 nan 0.000 0.512 954 W N 1.984 123.173 121.300 -0.185 0.000 2.532 954 W HA 0.384 5.046 4.660 0.003 0.000 0.321 954 W C -2.023 174.463 176.519 -0.056 0.000 1.037 954 W CA -1.980 55.251 57.345 -0.189 0.000 1.220 954 W CB 1.650 30.941 29.460 -0.283 0.000 1.361 954 W HN 0.158 nan 8.180 nan 0.000 0.468 955 P HA -0.005 nan 4.420 nan 0.000 0.256 955 P C -0.707 176.726 177.300 0.223 0.000 1.189 955 P CA 0.891 64.116 63.100 0.208 0.000 0.808 955 P CB 0.394 32.242 31.700 0.247 0.000 0.793 956 L N 6.285 127.629 121.223 0.202 0.000 2.341 956 L HA 0.537 4.878 4.340 0.003 0.000 0.267 956 L C -2.282 174.704 176.870 0.192 0.000 1.009 956 L CA -3.071 51.904 54.840 0.226 0.000 0.819 956 L CB 2.312 44.544 42.059 0.289 0.000 1.323 956 L HN 0.049 nan 8.230 nan 0.000 0.425 957 P HA 0.080 nan 4.420 nan 0.000 0.268 957 P C -0.986 176.388 177.300 0.123 0.000 1.208 957 P CA -0.018 63.067 63.100 -0.024 0.000 0.777 957 P CB 0.417 31.864 31.700 -0.421 0.000 0.875 958 V N 0.039 119.994 119.914 0.069 0.000 3.796 958 V HA -0.234 3.888 4.120 0.003 0.000 0.495 958 V C 0.532 176.733 176.094 0.180 0.000 0.682 958 V CA 0.025 62.408 62.300 0.139 0.000 1.997 958 V CB -1.610 30.327 31.823 0.190 0.000 2.406 958 V HN 0.813 nan 8.190 nan 0.000 0.506 959 N N 3.969 122.722 118.700 0.088 0.000 2.452 959 N HA 0.256 4.998 4.740 0.003 0.000 0.266 959 N C 0.827 176.365 175.510 0.047 0.000 1.209 959 N CA 0.241 53.324 53.050 0.056 0.000 0.929 959 N CB 0.957 39.446 38.487 0.003 0.000 1.063 959 N HN 0.700 nan 8.380 nan 0.000 0.472 960 I N 3.113 123.706 120.570 0.038 0.000 2.494 960 I HA -0.024 4.148 4.170 0.003 0.000 0.250 960 I C 2.269 178.360 176.117 -0.043 0.000 1.112 960 I CA 0.193 61.488 61.300 -0.008 0.000 1.438 960 I CB -0.093 37.894 38.000 -0.023 0.000 1.111 960 I HN 0.531 nan 8.210 nan 0.000 0.431 961 R N 0.788 121.279 120.500 -0.016 0.000 2.261 961 R HA -0.220 4.122 4.340 0.003 0.000 0.236 961 R C 2.244 178.526 176.300 -0.030 0.000 1.141 961 R CA 1.266 57.352 56.100 -0.023 0.000 1.001 961 R CB -0.073 30.238 30.300 0.018 0.000 0.866 961 R HN 0.191 nan 8.270 nan 0.000 0.468 962 R N 0.344 120.836 120.500 -0.013 0.000 2.057 962 R HA 0.068 4.410 4.340 0.003 0.000 0.224 962 R C 1.939 178.243 176.300 0.007 0.000 1.136 962 R CA 1.035 57.143 56.100 0.014 0.000 0.968 962 R CB -0.196 30.116 30.300 0.020 0.000 0.863 962 R HN 0.145 nan 8.270 nan 0.000 0.433 963 I N 0.928 121.475 120.570 -0.039 0.000 2.800 963 I HA -0.230 3.942 4.170 0.003 0.000 0.266 963 I C 1.554 177.623 176.117 -0.080 0.000 1.249 963 I CA 0.467 61.711 61.300 -0.093 0.000 1.458 963 I CB -0.134 37.760 38.000 -0.176 0.000 1.093 963 I HN 0.312 nan 8.210 nan 0.000 0.466 964 I N 0.507 121.006 120.570 -0.118 0.000 2.494 964 I HA -0.163 4.009 4.170 0.003 0.000 0.250 964 I C 2.368 178.422 176.117 -0.105 0.000 1.112 964 I CA 1.503 62.668 61.300 -0.225 0.000 1.438 964 I CB -0.590 37.110 38.000 -0.499 0.000 1.111 964 I HN 0.268 nan 8.210 nan 0.000 0.431 965 Q N 0.065 119.831 119.800 -0.058 0.000 2.119 965 Q HA -0.107 4.235 4.340 0.003 0.000 0.201 965 Q C 1.621 177.623 176.000 0.005 0.000 0.972 965 Q CA 1.135 56.899 55.803 -0.065 0.000 0.847 965 Q CB -0.158 28.509 28.738 -0.119 0.000 0.903 965 Q HN 0.449 nan 8.270 nan 0.000 0.433 966 N N -0.120 118.661 118.700 0.136 0.000 2.609 966 N HA -0.028 4.714 4.740 0.003 0.000 0.190 966 N C 0.926 176.672 175.510 0.392 0.000 1.157 966 N CA 0.787 53.995 53.050 0.262 0.000 0.918 966 N CB 0.304 38.992 38.487 0.336 0.000 0.978 966 N HN 0.230 nan 8.380 nan 0.000 0.448 967 A N 0.815 123.882 122.820 0.413 0.000 1.993 967 A HA -0.047 4.275 4.320 0.003 0.000 0.207 967 A C 1.761 179.503 177.584 0.263 0.000 1.224 967 A CA 0.125 52.464 52.037 0.502 0.000 0.749 967 A CB -0.069 19.270 19.000 0.565 0.000 0.884 967 A HN 0.350 nan 8.150 nan 0.000 0.467 968 Q N -0.116 119.762 119.800 0.131 0.000 2.247 968 Q HA 0.085 4.427 4.340 0.003 0.000 0.205 968 Q C 0.941 176.949 176.000 0.013 0.000 0.896 968 Q CA 0.803 56.663 55.803 0.095 0.000 0.950 968 Q CB -0.014 28.799 28.738 0.125 0.000 1.054 968 Q HN 0.712 nan 8.270 nan 0.000 0.482 969 Q N -1.912 117.838 119.800 -0.083 0.000 2.171 969 Q HA 0.195 4.537 4.340 0.003 0.000 0.250 969 Q C 1.039 176.769 176.000 -0.450 0.000 0.791 969 Q CA 0.519 56.187 55.803 -0.225 0.000 0.950 969 Q CB 0.003 28.645 28.738 -0.161 0.000 1.151 969 Q HN 0.104 nan 8.270 nan 0.000 0.480 970 T N 0.361 114.676 114.554 -0.397 0.000 2.737 970 T HA 0.060 4.412 4.350 0.003 0.000 0.265 970 T C 0.263 174.518 174.700 -0.742 0.000 1.038 970 T CA 1.273 62.962 62.100 -0.686 0.000 1.144 970 T CB -0.201 68.007 68.868 -1.100 0.000 0.866 970 T HN 0.332 nan 8.240 nan 0.000 0.434 971 F N 0.738 120.542 119.950 -0.243 0.000 2.668 971 F HA 0.301 4.830 4.527 0.003 0.000 0.297 971 F C 0.382 176.159 175.800 -0.038 0.000 1.124 971 F CA -0.864 57.053 58.000 -0.139 0.000 1.353 971 F CB -0.684 38.252 39.000 -0.108 0.000 0.992 971 F HN 0.105 nan 8.300 nan 0.000 0.524 972 H N 1.553 120.658 119.070 0.058 0.000 1.994 972 H HA -0.198 4.360 4.556 0.003 0.000 0.281 972 H C -0.306 175.051 175.328 0.047 0.000 0.726 972 H CA 0.384 56.458 56.048 0.044 0.000 0.946 972 H CB -0.153 29.621 29.762 0.020 0.000 1.427 972 H HN 0.211 nan 8.280 nan 0.000 0.238 973 I N 4.779 125.435 120.570 0.143 0.000 2.436 973 I HA 0.141 4.313 4.170 0.003 0.000 0.289 973 I C -0.494 175.592 176.117 -0.052 0.000 1.010 973 I CA -0.994 60.314 61.300 0.013 0.000 1.098 973 I CB 1.289 39.248 38.000 -0.067 0.000 1.266 973 I HN 0.433 nan 8.210 nan 0.000 0.434 974 D N 5.595 125.974 120.400 -0.035 0.000 2.343 974 D HA 0.096 4.738 4.640 0.003 0.000 0.255 974 D C 0.157 176.412 176.300 -0.075 0.000 1.187 974 D CA 0.159 54.158 54.000 -0.001 0.000 0.875 974 D CB 0.303 41.115 40.800 0.020 0.000 1.136 974 D HN 0.464 nan 8.370 nan 0.000 0.469 975 H N 1.721 120.817 119.070 0.043 0.000 2.708 975 H HA 0.089 4.647 4.556 0.003 0.000 0.309 975 H C 0.658 176.000 175.328 0.023 0.000 1.084 975 H CA 0.462 56.532 56.048 0.037 0.000 1.165 975 H CB -0.025 29.761 29.762 0.040 0.000 1.388 975 H HN 0.672 nan 8.280 nan 0.000 0.553 976 T N -3.367 111.234 114.554 0.078 0.000 2.966 976 T HA 0.137 4.489 4.350 0.003 0.000 0.254 976 T C 0.749 175.463 174.700 0.022 0.000 0.961 976 T CA -0.341 61.789 62.100 0.049 0.000 0.915 976 T CB 0.901 69.795 68.868 0.044 0.000 1.186 976 T HN -0.075 nan 8.240 nan 0.000 0.505 977 K N 2.963 123.368 120.400 0.009 0.000 2.098 977 K HA 0.604 4.926 4.320 0.003 0.000 0.257 977 K C -2.553 174.041 176.600 -0.009 0.000 0.999 977 K CA -2.150 54.136 56.287 -0.002 0.000 0.924 977 K CB 0.725 33.222 32.500 -0.005 0.000 1.028 977 K HN 0.178 nan 8.250 nan 0.000 0.466 978 P HA 0.159 nan 4.420 nan 0.000 0.280 978 P C -0.375 176.916 177.300 -0.016 0.000 1.272 978 P CA -0.572 62.522 63.100 -0.011 0.000 0.819 978 P CB 1.617 33.311 31.700 -0.010 0.000 1.122 979 S N -0.445 115.245 115.700 -0.015 0.000 2.401 979 S HA 0.117 4.589 4.470 0.003 0.000 0.249 979 S C 0.504 175.089 174.600 -0.025 0.000 1.237 979 S CA 0.661 58.850 58.200 -0.018 0.000 1.000 979 S CB -0.333 62.860 63.200 -0.011 0.000 1.013 979 S HN 0.625 nan 8.310 nan 0.000 0.494 980 D N -1.547 118.833 120.400 -0.034 0.000 2.475 980 D HA 0.267 4.909 4.640 0.003 0.000 0.306 980 D C -0.724 175.541 176.300 -0.059 0.000 1.304 980 D CA -0.103 53.872 54.000 -0.042 0.000 0.862 980 D CB -0.121 40.653 40.800 -0.043 0.000 1.306 980 D HN 0.365 nan 8.370 nan 0.000 0.494 981 L N 1.133 122.315 121.223 -0.070 0.000 2.343 981 L HA 0.494 4.836 4.340 0.003 0.000 0.275 981 L C 0.355 177.170 176.870 -0.091 0.000 1.056 981 L CA -0.408 54.367 54.840 -0.108 0.000 0.804 981 L CB 1.849 43.814 42.059 -0.157 0.000 1.203 981 L HN -0.149 nan 8.230 nan 0.000 0.440 982 T N 2.249 116.742 114.554 -0.103 0.000 2.856 982 T HA 0.278 4.630 4.350 0.003 0.000 0.292 982 T C 1.339 175.985 174.700 -0.090 0.000 0.980 982 T CA -0.406 61.646 62.100 -0.080 0.000 1.091 982 T CB 1.040 69.866 68.868 -0.071 0.000 0.936 982 T HN 0.367 nan 8.240 nan 0.000 0.503 983 I N 1.536 122.069 120.570 -0.062 0.000 3.164 983 I HA -0.089 4.083 4.170 0.003 0.000 0.278 983 I C 2.270 178.357 176.117 -0.050 0.000 1.320 983 I CA 1.091 62.360 61.300 -0.051 0.000 1.422 983 I CB -0.270 37.713 38.000 -0.029 0.000 1.066 983 I HN 0.618 nan 8.210 nan 0.000 0.503 984 K N 0.233 120.597 120.400 -0.059 0.000 2.166 984 K HA -0.070 4.252 4.320 0.003 0.000 0.201 984 K C 1.501 178.051 176.600 -0.083 0.000 1.052 984 K CA 0.710 56.964 56.287 -0.055 0.000 0.969 984 K CB 0.111 32.584 32.500 -0.046 0.000 0.761 984 K HN 0.209 nan 8.250 nan 0.000 0.459 985 D N 1.274 121.597 120.400 -0.128 0.000 2.087 985 D HA -0.169 4.473 4.640 0.003 0.000 0.192 985 D C 1.940 178.072 176.300 -0.281 0.000 0.993 985 D CA 1.178 55.058 54.000 -0.201 0.000 0.828 985 D CB -0.267 40.378 40.800 -0.259 0.000 0.968 985 D HN 0.091 nan 8.370 nan 0.000 0.448 986 I N 0.762 121.132 120.570 -0.334 0.000 2.039 986 I HA -0.288 3.884 4.170 0.003 0.000 0.233 986 I C 2.530 178.618 176.117 -0.049 0.000 1.040 986 I CA 1.031 62.157 61.300 -0.290 0.000 1.308 986 I CB -0.344 37.576 38.000 -0.134 0.000 1.035 986 I HN -0.122 nan 8.210 nan 0.000 0.392 987 V N 0.438 120.340 119.914 -0.021 0.000 2.720 987 V HA -0.242 3.880 4.120 0.003 0.000 0.256 987 V C 2.131 178.235 176.094 0.016 0.000 1.082 987 V CA 1.492 63.804 62.300 0.021 0.000 1.101 987 V CB -0.441 31.393 31.823 0.018 0.000 0.693 987 V HN 0.378 nan 8.190 nan 0.000 0.479 988 L N -0.082 121.136 121.223 -0.009 0.000 2.202 988 L HA 0.171 4.513 4.340 0.003 0.000 0.205 988 L C 2.380 179.259 176.870 0.015 0.000 1.083 988 L CA 1.383 56.221 54.840 -0.004 0.000 0.790 988 L CB -0.569 41.478 42.059 -0.019 0.000 0.942 988 L HN 0.333 nan 8.230 nan 0.000 0.452 989 G N -0.929 107.883 108.800 0.021 0.000 2.484 989 G HA2 -0.279 3.683 3.960 0.003 0.000 0.215 989 G HA3 -0.279 3.683 3.960 0.003 0.000 0.215 989 G C 1.521 176.495 174.900 0.124 0.000 1.219 989 G CA 0.862 46.014 45.100 0.087 0.000 0.791 989 G HN 0.197 nan 8.290 nan 0.000 0.550 990 V N 0.834 120.855 119.914 0.179 0.000 2.794 990 V HA -0.157 3.965 4.120 0.003 0.000 0.260 990 V C 2.667 178.800 176.094 0.064 0.000 1.103 990 V CA 2.691 65.078 62.300 0.145 0.000 1.125 990 V CB -0.292 31.634 31.823 0.173 0.000 0.702 990 V HN 0.537 nan 8.190 nan 0.000 0.494 991 K N -0.964 119.464 120.400 0.047 0.000 2.202 991 K HA -0.058 4.264 4.320 0.003 0.000 0.201 991 K C 1.634 178.237 176.600 0.006 0.000 1.051 991 K CA 1.209 57.506 56.287 0.016 0.000 0.977 991 K CB -0.009 32.497 32.500 0.010 0.000 0.792 991 K HN 0.388 nan 8.250 nan 0.000 0.469 992 D N 0.857 121.266 120.400 0.014 0.000 2.277 992 D HA -0.094 4.548 4.640 0.003 0.000 0.208 992 D C 1.728 178.026 176.300 -0.004 0.000 0.962 992 D CA 0.458 54.460 54.000 0.004 0.000 0.865 992 D CB 0.121 40.926 40.800 0.008 0.000 0.939 992 D HN 0.201 nan 8.370 nan 0.000 0.510 993 L N 0.618 121.845 121.223 0.008 0.000 2.056 993 L HA -0.114 4.228 4.340 0.003 0.000 0.207 993 L C 2.060 178.901 176.870 -0.049 0.000 1.078 993 L CA 1.701 56.535 54.840 -0.011 0.000 0.749 993 L CB -0.500 41.566 42.059 0.012 0.000 0.901 993 L HN -0.111 nan 8.230 nan 0.000 0.433 994 Q N -0.311 119.468 119.800 -0.034 0.000 2.152 994 Q HA -0.285 4.057 4.340 0.003 0.000 0.206 994 Q C 2.107 178.059 176.000 -0.081 0.000 0.985 994 Q CA 2.346 58.117 55.803 -0.053 0.000 0.863 994 Q CB -0.082 28.639 28.738 -0.029 0.000 0.904 994 Q HN 0.689 nan 8.270 nan 0.000 0.422 995 E N -0.054 120.110 120.200 -0.060 0.000 2.208 995 E HA -0.091 4.261 4.350 0.003 0.000 0.193 995 E C 0.585 177.142 176.600 -0.072 0.000 0.988 995 E CA 0.937 57.303 56.400 -0.057 0.000 0.828 995 E CB 0.111 29.789 29.700 -0.036 0.000 0.763 995 E HN 0.512 nan 8.360 nan 0.000 0.478 996 N N 0.484 119.133 118.700 -0.084 0.000 2.389 996 N HA 0.079 4.821 4.740 0.003 0.000 0.260 996 N C 0.985 176.396 175.510 -0.164 0.000 1.191 996 N CA -0.034 52.959 53.050 -0.094 0.000 0.885 996 N CB 0.501 38.953 38.487 -0.058 0.000 1.162 996 N HN 0.111 nan 8.380 nan 0.000 0.512 997 L N 0.227 121.286 121.223 -0.273 0.000 2.478 997 L HA 0.102 4.444 4.340 0.003 0.000 0.223 997 L C 0.426 177.005 176.870 -0.486 0.000 1.140 997 L CA 0.142 54.622 54.840 -0.600 0.000 0.842 997 L CB -0.103 41.440 42.059 -0.860 0.000 0.953 997 L HN 0.276 nan 8.230 nan 0.000 0.452 998 L N 0.515 121.617 121.223 -0.202 0.000 3.555 998 L HA -0.271 4.071 4.340 0.003 0.000 0.538 998 L C 0.918 177.820 176.870 0.054 0.000 1.001 998 L CA 0.390 55.196 54.840 -0.057 0.000 1.130 998 L CB -0.729 41.306 42.059 -0.040 0.000 0.876 998 L HN 0.034 nan 8.230 nan 0.000 0.674 999 V N 4.363 124.327 119.914 0.084 0.000 3.090 999 V HA 0.200 4.322 4.120 0.003 0.000 0.237 999 V C 0.854 176.987 176.094 0.064 0.000 1.209 999 V CA 0.501 62.871 62.300 0.117 0.000 1.209 999 V CB 0.825 32.745 31.823 0.162 0.000 0.971 999 V HN 0.496 nan 8.190 nan 0.000 0.477 1000 L N 0.004 121.257 121.223 0.051 0.000 2.334 1000 L HA 0.540 4.882 4.340 0.003 0.000 0.276 1000 L C 0.598 177.484 176.870 0.026 0.000 1.014 1000 L CA -0.113 54.752 54.840 0.041 0.000 0.815 1000 L CB 1.983 44.068 42.059 0.044 0.000 1.268 1000 L HN -0.020 nan 8.230 nan 0.000 0.428 1001 R N 1.167 121.683 120.500 0.027 0.000 2.629 1001 R HA 0.261 4.603 4.340 0.003 0.000 0.386 1001 R C 0.221 176.531 176.300 0.016 0.000 1.071 1001 R CA -0.301 55.809 56.100 0.017 0.000 1.104 1001 R CB 0.842 31.153 30.300 0.019 0.000 1.370 1001 R HN 0.787 nan 8.270 nan 0.000 0.574 1002 G N 0.336 109.146 108.800 0.017 0.000 2.483 1002 G HA2 -0.021 3.941 3.960 0.003 0.000 0.248 1002 G HA3 -0.021 3.941 3.960 0.003 0.000 0.248 1002 G C 0.294 175.197 174.900 0.006 0.000 1.248 1002 G CA -0.330 44.778 45.100 0.014 0.000 0.838 1002 G HN 0.103 nan 8.290 nan 0.000 0.566 1003 K N 0.348 120.751 120.400 0.005 0.000 2.243 1003 K HA -0.020 4.302 4.320 0.003 0.000 0.201 1003 K C 1.339 177.938 176.600 -0.003 0.000 1.051 1003 K CA 0.511 56.798 56.287 0.000 0.000 0.970 1003 K CB -0.092 32.409 32.500 0.001 0.000 0.755 1003 K HN 0.740 nan 8.250 nan 0.000 0.465 1004 N N -0.569 118.129 118.700 -0.002 0.000 2.408 1004 N HA -0.031 4.711 4.740 0.003 0.000 0.260 1004 N C 0.834 176.338 175.510 -0.010 0.000 1.242 1004 N CA -0.164 52.882 53.050 -0.006 0.000 0.959 1004 N CB 0.803 39.287 38.487 -0.005 0.000 1.201 1004 N HN -0.035 nan 8.380 nan 0.000 0.511 1005 E N 0.132 120.324 120.200 -0.014 0.000 2.023 1005 E HA -0.194 4.157 4.350 0.003 0.000 0.196 1005 E C 1.731 178.317 176.600 -0.024 0.000 1.003 1005 E CA 2.183 58.572 56.400 -0.019 0.000 0.809 1005 E CB -0.346 29.343 29.700 -0.019 0.000 0.755 1005 E HN 0.701 nan 8.360 nan 0.000 0.449 1006 I N -0.137 120.416 120.570 -0.029 0.000 2.208 1006 I HA -0.236 3.936 4.170 0.003 0.000 0.245 1006 I C 1.889 177.981 176.117 -0.041 0.000 1.097 1006 I CA 1.464 62.738 61.300 -0.044 0.000 1.363 1006 I CB -1.005 36.959 38.000 -0.059 0.000 1.051 1006 I HN 0.112 nan 8.210 nan 0.000 0.413 1007 I N 1.443 121.998 120.570 -0.024 0.000 2.142 1007 I HA -0.237 3.935 4.170 0.003 0.000 0.240 1007 I C 2.781 178.893 176.117 -0.009 0.000 1.078 1007 I CA 1.458 62.752 61.300 -0.010 0.000 1.343 1007 I CB -1.563 36.439 38.000 0.004 0.000 1.046 1007 I HN 0.357 nan 8.210 nan 0.000 0.405 1008 Q N 0.607 120.399 119.800 -0.012 0.000 2.297 1008 Q HA -0.147 4.195 4.340 0.003 0.000 0.208 1008 Q C 1.860 177.848 176.000 -0.019 0.000 0.981 1008 Q CA 0.930 56.725 55.803 -0.013 0.000 0.876 1008 Q CB -0.414 28.314 28.738 -0.015 0.000 0.921 1008 Q HN 0.614 nan 8.270 nan 0.000 0.446 1009 N N -0.242 118.443 118.700 -0.024 0.000 2.290 1009 N HA -0.026 4.716 4.740 0.003 0.000 0.179 1009 N C 1.641 177.136 175.510 -0.025 0.000 1.016 1009 N CA 0.905 53.938 53.050 -0.029 0.000 0.871 1009 N CB 0.107 38.572 38.487 -0.036 0.000 0.987 1009 N HN 0.160 nan 8.380 nan 0.000 0.431 1010 A N 1.587 124.394 122.820 -0.023 0.000 1.902 1010 A HA -0.224 4.098 4.320 0.003 0.000 0.217 1010 A C 2.220 179.809 177.584 0.009 0.000 1.181 1010 A CA 1.630 53.663 52.037 -0.007 0.000 0.623 1010 A CB -0.719 18.281 19.000 0.000 0.000 0.818 1010 A HN 0.231 nan 8.150 nan 0.000 0.443 1011 Q N 0.298 120.103 119.800 0.008 0.000 2.118 1011 Q HA -0.248 4.094 4.340 0.003 0.000 0.211 1011 Q C 2.088 178.090 176.000 0.004 0.000 0.998 1011 Q CA 2.548 58.358 55.803 0.012 0.000 0.872 1011 Q CB -0.430 28.308 28.738 0.001 0.000 0.925 1011 Q HN 0.675 nan 8.270 nan 0.000 0.414 1012 R N -0.277 120.215 120.500 -0.013 0.000 2.061 1012 R HA -0.105 4.236 4.340 0.003 0.000 0.230 1012 R C 2.111 178.399 176.300 -0.021 0.000 1.140 1012 R CA 1.371 57.456 56.100 -0.025 0.000 0.940 1012 R CB -0.398 29.878 30.300 -0.039 0.000 0.839 1012 R HN 0.389 nan 8.270 nan 0.000 0.429 1013 D N 0.568 120.958 120.400 -0.018 0.000 2.106 1013 D HA -0.174 4.468 4.640 0.003 0.000 0.191 1013 D C 1.660 177.968 176.300 0.013 0.000 0.997 1013 D CA 1.747 55.740 54.000 -0.011 0.000 0.834 1013 D CB -0.301 40.496 40.800 -0.006 0.000 0.956 1013 D HN 0.270 nan 8.370 nan 0.000 0.448 1014 A N -0.085 122.755 122.820 0.033 0.000 2.178 1014 A HA -0.075 4.247 4.320 0.003 0.000 0.218 1014 A C 2.236 179.881 177.584 0.103 0.000 1.157 1014 A CA 1.021 53.096 52.037 0.063 0.000 0.689 1014 A CB -0.048 18.996 19.000 0.072 0.000 0.787 1014 A HN 0.200 nan 8.150 nan 0.000 0.465 1015 V N -1.885 118.085 119.914 0.093 0.000 3.212 1015 V HA -0.088 4.034 4.120 0.003 0.000 0.244 1015 V C 2.328 178.499 176.094 0.128 0.000 1.151 1015 V CA 1.416 63.810 62.300 0.156 0.000 1.119 1015 V CB -0.772 31.107 31.823 0.093 0.000 0.838 1015 V HN 0.517 nan 8.190 nan 0.000 0.470 1016 T N 1.362 115.928 114.554 0.019 0.000 2.693 1016 T HA -0.387 3.965 4.350 0.003 0.000 0.263 1016 T C 1.788 176.445 174.700 -0.071 0.000 1.046 1016 T CA 2.571 64.620 62.100 -0.085 0.000 1.160 1016 T CB -0.455 68.310 68.868 -0.172 0.000 0.853 1016 T HN 0.313 nan 8.240 nan 0.000 0.462 1017 L N -0.626 120.611 121.223 0.023 0.000 1.988 1017 L HA 0.028 4.370 4.340 0.003 0.000 0.207 1017 L C 2.271 179.212 176.870 0.119 0.000 1.071 1017 L CA 1.425 56.301 54.840 0.061 0.000 0.744 1017 L CB -0.386 41.723 42.059 0.084 0.000 0.893 1017 L HN 0.213 nan 8.230 nan 0.000 0.433 1018 F N -0.138 119.857 119.950 0.074 0.000 2.184 1018 F HA -0.343 4.186 4.527 0.003 0.000 0.301 1018 F C 2.363 178.206 175.800 0.072 0.000 1.076 1018 F CA 1.702 59.773 58.000 0.119 0.000 1.295 1018 F CB -0.484 38.663 39.000 0.245 0.000 1.026 1018 F HN 0.181 nan 8.300 nan 0.000 0.494 1019 C N -0.143 119.169 119.300 0.021 0.000 2.476 1019 C HA -0.172 4.290 4.460 0.003 0.000 0.278 1019 C C 3.049 177.952 174.990 -0.146 0.000 1.274 1019 C CA 1.049 60.014 59.018 -0.087 0.000 1.713 1019 C CB -1.670 26.049 27.740 -0.036 0.000 2.039 1019 C HN 0.758 nan 8.230 nan 0.000 0.484 1020 C N 0.464 119.692 119.300 -0.119 0.000 2.432 1020 C HA -0.023 4.439 4.460 0.003 0.000 0.282 1020 C C 2.342 177.283 174.990 -0.082 0.000 1.388 1020 C CA 0.296 59.252 59.018 -0.102 0.000 1.777 1020 C CB -1.936 25.749 27.740 -0.093 0.000 1.882 1020 C HN 0.618 nan 8.230 nan 0.000 0.520 1021 L N 1.458 122.613 121.223 -0.114 0.000 1.948 1021 L HA -0.053 4.289 4.340 0.003 0.000 0.212 1021 L C 2.563 179.330 176.870 -0.172 0.000 1.074 1021 L CA 1.901 56.665 54.840 -0.127 0.000 0.753 1021 L CB -1.002 40.939 42.059 -0.196 0.000 0.888 1021 L HN 0.289 nan 8.230 nan 0.000 0.432 1022 L N -0.222 120.797 121.223 -0.340 0.000 2.054 1022 L HA -0.346 3.996 4.340 0.003 0.000 0.220 1022 L C 2.775 179.588 176.870 -0.095 0.000 1.081 1022 L CA 2.185 56.863 54.840 -0.269 0.000 0.780 1022 L CB -0.416 41.454 42.059 -0.315 0.000 0.893 1022 L HN 0.330 nan 8.230 nan 0.000 0.438 1023 R N -0.626 119.827 120.500 -0.079 0.000 2.070 1023 R HA -0.168 4.173 4.340 0.003 0.000 0.232 1023 R C 2.485 178.802 176.300 0.029 0.000 1.138 1023 R CA 1.838 57.925 56.100 -0.022 0.000 0.936 1023 R CB -0.960 29.309 30.300 -0.051 0.000 0.839 1023 R HN 0.676 nan 8.270 nan 0.000 0.429 1024 S N 0.751 116.454 115.700 0.005 0.000 2.407 1024 S HA -0.230 4.242 4.470 0.003 0.000 0.235 1024 S C 1.994 176.747 174.600 0.255 0.000 1.036 1024 S CA 1.555 59.803 58.200 0.080 0.000 1.013 1024 S CB -0.169 63.062 63.200 0.051 0.000 0.820 1024 S HN 0.221 nan 8.310 nan 0.000 0.476 1025 R N 0.637 121.226 120.500 0.150 0.000 2.087 1025 R HA 0.443 4.785 4.340 0.003 0.000 0.216 1025 R C 1.212 177.637 176.300 0.208 0.000 1.114 1025 R CA 0.726 56.936 56.100 0.184 0.000 1.002 1025 R CB -0.299 30.089 30.300 0.147 0.000 0.903 1025 R HN 0.376 nan 8.270 nan 0.000 0.445 1026 L N 1.269 122.579 121.223 0.144 0.000 2.939 1026 L HA 0.368 4.709 4.340 0.003 0.000 0.239 1026 L C -0.174 176.798 176.870 0.171 0.000 1.325 1026 L CA -0.659 54.275 54.840 0.157 0.000 1.170 1026 L CB 0.111 42.213 42.059 0.072 0.000 1.538 1026 L HN 0.081 nan 8.230 nan 0.000 0.452 1027 A N -0.799 122.117 122.820 0.159 0.000 2.312 1027 A HA 0.501 4.823 4.320 0.003 0.000 0.326 1027 A C 1.260 178.900 177.584 0.094 0.000 1.172 1027 A CA -0.379 51.752 52.037 0.156 0.000 0.821 1027 A CB 0.794 19.948 19.000 0.256 0.000 1.166 1027 A HN 0.312 nan 8.150 nan 0.000 0.493 1028 T N 1.259 115.868 114.554 0.092 0.000 2.536 1028 T HA -0.257 4.095 4.350 0.003 0.000 0.263 1028 T C 2.034 176.730 174.700 -0.006 0.000 1.115 1028 T CA 2.073 64.206 62.100 0.054 0.000 1.180 1028 T CB -0.334 68.559 68.868 0.043 0.000 0.864 1028 T HN 0.688 nan 8.240 nan 0.000 0.419 1029 R N 0.497 120.974 120.500 -0.038 0.000 2.133 1029 R HA -0.131 4.211 4.340 0.003 0.000 0.247 1029 R C 2.708 178.900 176.300 -0.179 0.000 1.151 1029 R CA 1.669 57.709 56.100 -0.101 0.000 0.971 1029 R CB -0.177 30.051 30.300 -0.120 0.000 0.866 1029 R HN 0.324 nan 8.270 nan 0.000 0.447 1030 R N -0.318 120.028 120.500 -0.257 0.000 2.057 1030 R HA -0.057 4.285 4.340 0.003 0.000 0.229 1030 R C 1.958 177.993 176.300 -0.442 0.000 1.136 1030 R CA 1.170 57.024 56.100 -0.410 0.000 0.952 1030 R CB -0.302 29.703 30.300 -0.493 0.000 0.848 1030 R HN 0.120 nan 8.270 nan 0.000 0.430 1031 V N 1.372 121.166 119.914 -0.201 0.000 3.546 1031 V HA -0.043 4.079 4.120 0.003 0.000 0.272 1031 V C 1.165 177.323 176.094 0.107 0.000 1.228 1031 V CA 0.999 63.343 62.300 0.074 0.000 1.184 1031 V CB -0.144 31.884 31.823 0.341 0.000 0.886 1031 V HN 0.321 nan 8.190 nan 0.000 0.508 1032 L N -1.795 119.421 121.223 -0.013 0.000 2.641 1032 L HA 0.141 4.483 4.340 0.003 0.000 0.207 1032 L C 2.094 178.956 176.870 -0.012 0.000 1.049 1032 L CA 0.643 55.489 54.840 0.010 0.000 0.866 1032 L CB -0.076 41.978 42.059 -0.008 0.000 1.264 1032 L HN 0.235 nan 8.230 nan 0.000 0.483 1033 Q N 0.538 120.291 119.800 -0.078 0.000 1.990 1033 Q HA -0.120 4.222 4.340 0.003 0.000 0.195 1033 Q C 1.915 177.878 176.000 -0.062 0.000 0.977 1033 Q CA 1.393 57.153 55.803 -0.071 0.000 0.828 1033 Q CB 0.313 28.984 28.738 -0.112 0.000 0.896 1033 Q HN 0.290 nan 8.270 nan 0.000 0.447 1034 E N -0.482 119.615 120.200 -0.172 0.000 2.051 1034 E HA -0.151 4.201 4.350 0.003 0.000 0.192 1034 E C -0.375 176.227 176.600 0.004 0.000 0.991 1034 E CA 1.010 57.319 56.400 -0.152 0.000 0.799 1034 E CB 0.066 29.599 29.700 -0.278 0.000 0.748 1034 E HN 0.349 nan 8.360 nan 0.000 0.449 1035 Y N -1.288 119.054 120.300 0.070 0.000 2.332 1035 Y HA 0.510 5.062 4.550 0.003 0.000 0.326 1035 Y C -0.616 175.360 175.900 0.126 0.000 0.978 1035 Y CA -1.361 56.823 58.100 0.140 0.000 1.205 1035 Y CB 0.509 39.031 38.460 0.103 0.000 1.131 1035 Y HN -0.311 nan 8.280 nan 0.000 0.462 1036 R N 4.549 125.231 120.500 0.303 0.000 3.701 1036 R HA 0.242 4.584 4.340 0.003 0.000 0.210 1036 R C -0.322 176.032 176.300 0.089 0.000 1.598 1036 R CA -0.411 55.763 56.100 0.123 0.000 1.427 1036 R CB 0.009 30.305 30.300 -0.007 0.000 1.339 1036 R HN 0.584 nan 8.270 nan 0.000 0.720 1037 L N 1.144 122.478 121.223 0.186 0.000 2.483 1037 L HA 0.058 4.400 4.340 0.003 0.000 0.277 1037 L C 1.061 177.984 176.870 0.089 0.000 1.248 1037 L CA 1.061 55.999 54.840 0.164 0.000 0.825 1037 L CB 0.383 42.615 42.059 0.289 0.000 1.096 1037 L HN 0.482 nan 8.230 nan 0.000 0.512 1038 T N -1.927 112.652 114.554 0.042 0.000 2.876 1038 T HA 0.302 4.654 4.350 0.003 0.000 0.289 1038 T C 0.731 175.415 174.700 -0.027 0.000 1.014 1038 T CA -0.846 61.242 62.100 -0.020 0.000 0.986 1038 T CB 2.262 71.085 68.868 -0.075 0.000 1.021 1038 T HN 0.491 nan 8.240 nan 0.000 0.458 1039 K N 1.628 122.001 120.400 -0.045 0.000 2.117 1039 K HA -0.331 3.991 4.320 0.003 0.000 0.215 1039 K C 2.055 178.638 176.600 -0.028 0.000 1.053 1039 K CA 2.498 58.751 56.287 -0.057 0.000 0.935 1039 K CB -0.503 31.952 32.500 -0.074 0.000 0.719 1039 K HN 0.782 nan 8.250 nan 0.000 0.460 1040 Q N -1.088 118.651 119.800 -0.102 0.000 2.020 1040 Q HA -0.064 4.277 4.340 0.003 0.000 0.198 1040 Q C 2.029 177.879 176.000 -0.250 0.000 0.974 1040 Q CA 1.493 57.204 55.803 -0.154 0.000 0.829 1040 Q CB -0.307 28.298 28.738 -0.222 0.000 0.894 1040 Q HN 0.450 nan 8.270 nan 0.000 0.433 1041 A N 0.770 123.268 122.820 -0.536 0.000 1.859 1041 A HA -0.255 4.067 4.320 0.003 0.000 0.217 1041 A C 1.907 179.534 177.584 0.073 0.000 1.198 1041 A CA 1.660 53.331 52.037 -0.611 0.000 0.629 1041 A CB -1.353 17.372 19.000 -0.460 0.000 0.830 1041 A HN 0.622 nan 8.150 nan 0.000 0.446 1042 F N 0.770 120.701 119.950 -0.033 0.000 2.032 1042 F HA -0.337 4.192 4.527 0.003 0.000 0.297 1042 F C 1.983 177.817 175.800 0.057 0.000 1.125 1042 F CA 2.513 60.535 58.000 0.036 0.000 1.202 1042 F CB -0.400 38.611 39.000 0.017 0.000 0.958 1042 F HN 0.327 nan 8.300 nan 0.000 0.491 1043 D N -0.936 119.760 120.400 0.494 0.000 2.271 1043 D HA -0.253 4.389 4.640 0.003 0.000 0.207 1043 D C 1.595 178.050 176.300 0.257 0.000 0.983 1043 D CA 1.398 55.620 54.000 0.370 0.000 0.878 1043 D CB -0.377 40.545 40.800 0.203 0.000 0.920 1043 D HN 0.572 nan 8.370 nan 0.000 0.479 1044 W N 0.001 121.339 121.300 0.062 0.000 2.444 1044 W HA -0.101 4.561 4.660 0.003 0.000 0.308 1044 W C 2.052 178.594 176.519 0.039 0.000 1.183 1044 W CA 0.827 58.224 57.345 0.086 0.000 1.340 1044 W CB -0.629 28.955 29.460 0.207 0.000 1.138 1044 W HN -0.227 nan 8.180 nan 0.000 0.510 1045 V N 1.910 121.753 119.914 -0.118 0.000 2.250 1045 V HA -0.382 3.740 4.120 0.003 0.000 0.250 1045 V C 2.401 178.257 176.094 -0.397 0.000 1.060 1045 V CA 2.278 64.328 62.300 -0.417 0.000 1.030 1045 V CB -1.356 30.271 31.823 -0.327 0.000 0.643 1045 V HN 0.426 nan 8.190 nan 0.000 0.445 1046 L N -0.564 120.468 121.223 -0.318 0.000 2.042 1046 L HA -0.210 4.132 4.340 0.003 0.000 0.210 1046 L C 2.605 179.402 176.870 -0.122 0.000 1.076 1046 L CA 2.316 57.053 54.840 -0.171 0.000 0.749 1046 L CB -0.386 41.684 42.059 0.018 0.000 0.893 1046 L HN 0.373 nan 8.230 nan 0.000 0.432 1047 S N 0.461 116.094 115.700 -0.112 0.000 2.343 1047 S HA -0.215 4.257 4.470 0.003 0.000 0.219 1047 S C 1.700 176.209 174.600 -0.151 0.000 1.033 1047 S CA 1.770 59.923 58.200 -0.078 0.000 1.014 1047 S CB -0.493 62.714 63.200 0.013 0.000 0.915 1047 S HN 0.845 nan 8.310 nan 0.000 0.435 1048 N N 1.343 119.842 118.700 -0.334 0.000 2.331 1048 N HA 0.022 4.764 4.740 0.003 0.000 0.180 1048 N C 1.606 177.006 175.510 -0.184 0.000 1.019 1048 N CA 1.039 53.914 53.050 -0.291 0.000 0.881 1048 N CB -0.791 37.428 38.487 -0.447 0.000 0.972 1048 N HN 0.474 nan 8.380 nan 0.000 0.435 1049 I N 0.719 121.181 120.570 -0.181 0.000 2.264 1049 I HA -0.279 3.893 4.170 0.003 0.000 0.248 1049 I C 2.563 178.692 176.117 0.021 0.000 1.111 1049 I CA 1.598 62.869 61.300 -0.049 0.000 1.382 1049 I CB -0.283 37.705 38.000 -0.019 0.000 1.060 1049 I HN 0.408 nan 8.210 nan 0.000 0.418 1050 E N 1.278 121.464 120.200 -0.025 0.000 2.077 1050 E HA -0.240 4.112 4.350 0.003 0.000 0.193 1050 E C 2.087 178.695 176.600 0.014 0.000 0.989 1050 E CA 1.485 57.872 56.400 -0.023 0.000 0.800 1050 E CB -0.065 29.608 29.700 -0.045 0.000 0.746 1050 E HN 0.473 nan 8.360 nan 0.000 0.452 1051 A N 0.252 123.067 122.820 -0.009 0.000 2.169 1051 A HA -0.036 4.286 4.320 0.003 0.000 0.212 1051 A C 2.020 179.600 177.584 -0.007 0.000 1.153 1051 A CA 0.444 52.478 52.037 -0.005 0.000 0.756 1051 A CB -0.067 18.926 19.000 -0.012 0.000 0.813 1051 A HN 0.253 nan 8.150 nan 0.000 0.471 1052 Q N -1.422 118.377 119.800 -0.002 0.000 2.033 1052 Q HA -0.060 4.282 4.340 0.003 0.000 0.196 1052 Q C 1.805 177.797 176.000 -0.013 0.000 0.970 1052 Q CA 1.051 56.847 55.803 -0.012 0.000 0.828 1052 Q CB -0.339 28.396 28.738 -0.006 0.000 0.895 1052 Q HN 0.689 nan 8.270 nan 0.000 0.440 1053 F N 1.826 121.690 119.950 -0.144 0.000 2.015 1053 F HA -0.333 4.196 4.527 0.003 0.000 0.297 1053 F C 2.292 177.982 175.800 -0.183 0.000 1.141 1053 F CA 1.684 59.550 58.000 -0.223 0.000 1.192 1053 F CB -0.530 38.306 39.000 -0.274 0.000 0.957 1053 F HN 0.009 nan 8.300 nan 0.000 0.491 1054 L N -0.030 121.304 121.223 0.185 0.000 2.082 1054 L HA -0.382 3.960 4.340 0.003 0.000 0.223 1054 L C 2.526 179.343 176.870 -0.088 0.000 1.086 1054 L CA 1.966 56.840 54.840 0.056 0.000 0.793 1054 L CB -0.724 41.353 42.059 0.030 0.000 0.896 1054 L HN 0.205 nan 8.230 nan 0.000 0.441 1055 R N -0.957 119.465 120.500 -0.131 0.000 2.237 1055 R HA -0.053 4.289 4.340 0.003 0.000 0.219 1055 R C 2.126 178.167 176.300 -0.431 0.000 1.080 1055 R CA 1.119 57.083 56.100 -0.226 0.000 0.995 1055 R CB -0.149 30.026 30.300 -0.209 0.000 0.875 1055 R HN 0.344 nan 8.270 nan 0.000 0.462 1056 S N 0.128 115.607 115.700 -0.369 0.000 2.503 1056 S HA 0.060 4.531 4.470 0.003 0.000 0.217 1056 S C 0.755 175.259 174.600 -0.161 0.000 0.999 1056 S CA -0.127 57.895 58.200 -0.297 0.000 0.914 1056 S CB 0.422 63.444 63.200 -0.296 0.000 0.782 1056 S HN -0.047 nan 8.310 nan 0.000 0.520 1057 V N 3.921 123.700 119.914 -0.226 0.000 2.599 1057 V HA 0.021 4.143 4.120 0.003 0.000 0.300 1057 V C 0.390 176.390 176.094 -0.156 0.000 1.034 1057 V CA -0.279 61.920 62.300 -0.168 0.000 1.115 1057 V CB 0.503 32.232 31.823 -0.156 0.000 0.934 1057 V HN 0.196 nan 8.190 nan 0.000 0.485 1058 V N 5.894 125.772 119.914 -0.059 0.000 2.673 1058 V HA 0.031 4.153 4.120 0.003 0.000 0.303 1058 V C 0.613 176.618 176.094 -0.148 0.000 1.046 1058 V CA -0.316 61.958 62.300 -0.042 0.000 1.126 1058 V CB -0.371 31.419 31.823 -0.055 0.000 0.934 1058 V HN 0.755 nan 8.190 nan 0.000 0.487 1059 H N 4.754 123.770 119.070 -0.090 0.000 2.690 1059 H HA 0.190 4.748 4.556 0.003 0.000 0.314 1059 H C -2.265 172.941 175.328 -0.203 0.000 1.069 1059 H CA -1.805 54.173 56.048 -0.117 0.000 1.436 1059 H CB 0.970 30.685 29.762 -0.078 0.000 1.462 1059 H HN 0.473 nan 8.280 nan 0.000 0.511 1060 P HA -0.058 nan 4.420 nan 0.000 0.256 1060 P C 0.944 177.981 177.300 -0.438 0.000 1.189 1060 P CA 1.107 63.892 63.100 -0.525 0.000 0.808 1060 P CB 0.306 31.330 31.700 -1.127 0.000 0.793 1061 G N 2.812 111.450 108.800 -0.271 0.000 3.465 1061 G HA2 -0.164 3.798 3.960 0.003 0.000 0.196 1061 G HA3 -0.164 3.798 3.960 0.003 0.000 0.196 1061 G C 0.025 174.853 174.900 -0.120 0.000 1.170 1061 G CA -0.572 44.459 45.100 -0.114 0.000 0.887 1061 G HN 0.436 nan 8.290 nan 0.000 0.444 1062 E N 2.159 122.285 120.200 -0.123 0.000 3.102 1062 E HA -0.023 4.329 4.350 0.003 0.000 0.235 1062 E C 0.507 177.000 176.600 -0.177 0.000 0.995 1062 E CA 0.419 56.731 56.400 -0.145 0.000 0.950 1062 E CB 0.028 29.616 29.700 -0.187 0.000 0.905 1062 E HN 0.258 nan 8.360 nan 0.000 0.553 1063 M N 5.056 124.577 119.600 -0.131 0.000 3.445 1063 M HA -0.030 4.452 4.480 0.003 0.000 0.224 1063 M C 1.134 177.366 176.300 -0.113 0.000 1.551 1063 M CA -0.029 55.200 55.300 -0.119 0.000 1.671 1063 M CB -0.556 31.991 32.600 -0.089 0.000 1.159 1063 M HN 0.217 nan 8.290 nan 0.000 0.547 1064 V N 1.297 121.131 119.914 -0.133 0.000 2.490 1064 V HA -0.194 3.928 4.120 0.003 0.000 0.250 1064 V C 2.250 178.331 176.094 -0.021 0.000 1.061 1064 V CA 2.126 64.376 62.300 -0.083 0.000 1.064 1064 V CB -1.044 30.724 31.823 -0.091 0.000 0.670 1064 V HN 0.830 nan 8.190 nan 0.000 0.461 1065 G N 0.527 109.297 108.800 -0.049 0.000 2.679 1065 G HA2 -0.280 3.682 3.960 0.003 0.000 0.217 1065 G HA3 -0.280 3.682 3.960 0.003 0.000 0.217 1065 G C 1.655 176.507 174.900 -0.080 0.000 1.267 1065 G CA 1.637 46.700 45.100 -0.062 0.000 0.799 1065 G HN 0.364 nan 8.290 nan 0.000 0.606 1066 V N 0.916 120.778 119.914 -0.087 0.000 2.278 1066 V HA -0.226 3.895 4.120 0.003 0.000 0.251 1066 V C 2.826 178.855 176.094 -0.107 0.000 1.062 1066 V CA 1.971 64.214 62.300 -0.096 0.000 1.038 1066 V CB -0.720 31.053 31.823 -0.083 0.000 0.646 1066 V HN 0.344 nan 8.190 nan 0.000 0.447 1067 L N -0.236 120.933 121.223 -0.091 0.000 2.042 1067 L HA -0.191 4.150 4.340 0.003 0.000 0.210 1067 L C 2.546 179.301 176.870 -0.193 0.000 1.076 1067 L CA 1.925 56.698 54.840 -0.111 0.000 0.749 1067 L CB -0.511 41.514 42.059 -0.057 0.000 0.893 1067 L HN 0.336 nan 8.230 nan 0.000 0.432 1068 A N -0.767 122.005 122.820 -0.080 0.000 1.855 1068 A HA -0.124 4.198 4.320 0.003 0.000 0.215 1068 A C 2.435 179.918 177.584 -0.169 0.000 1.191 1068 A CA 1.514 53.508 52.037 -0.072 0.000 0.613 1068 A CB -1.028 18.039 19.000 0.111 0.000 0.829 1068 A HN 0.493 nan 8.150 nan 0.000 0.442 1069 A N -0.458 122.279 122.820 -0.137 0.000 1.873 1069 A HA -0.294 4.028 4.320 0.003 0.000 0.218 1069 A C 2.145 179.625 177.584 -0.174 0.000 1.193 1069 A CA 1.957 53.903 52.037 -0.152 0.000 0.629 1069 A CB -0.828 18.080 19.000 -0.153 0.000 0.826 1069 A HN 0.659 nan 8.150 nan 0.000 0.447 1070 Q N -0.333 119.355 119.800 -0.186 0.000 2.061 1070 Q HA -0.151 4.191 4.340 0.003 0.000 0.204 1070 Q C 2.394 178.247 176.000 -0.246 0.000 0.984 1070 Q CA 1.853 57.530 55.803 -0.209 0.000 0.846 1070 Q CB -0.300 28.321 28.738 -0.194 0.000 0.902 1070 Q HN 0.671 nan 8.270 nan 0.000 0.421 1071 S N 0.386 115.913 115.700 -0.288 0.000 2.440 1071 S HA -0.096 4.375 4.470 0.003 0.000 0.238 1071 S C 1.766 176.237 174.600 -0.215 0.000 1.010 1071 S CA 0.937 58.944 58.200 -0.322 0.000 0.972 1071 S CB -0.061 62.725 63.200 -0.691 0.000 0.774 1071 S HN 0.292 nan 8.310 nan 0.000 0.501 1072 I N 0.415 120.877 120.570 -0.181 0.000 3.339 1072 I HA 0.124 4.296 4.170 0.003 0.000 0.285 1072 I C 2.505 178.539 176.117 -0.137 0.000 1.201 1072 I CA 0.487 61.707 61.300 -0.134 0.000 1.434 1072 I CB -0.402 37.531 38.000 -0.112 0.000 1.152 1072 I HN 0.311 nan 8.210 nan 0.000 0.443 1073 G N 0.314 109.021 108.800 -0.156 0.000 2.443 1073 G HA2 -0.189 3.773 3.960 0.003 0.000 0.219 1073 G HA3 -0.189 3.773 3.960 0.003 0.000 0.219 1073 G C 1.526 176.331 174.900 -0.158 0.000 1.131 1073 G CA 0.378 45.391 45.100 -0.146 0.000 0.775 1073 G HN 0.243 nan 8.290 nan 0.000 0.547 1074 E N 0.871 120.946 120.200 -0.208 0.000 2.021 1074 E HA -0.047 4.305 4.350 0.003 0.000 0.189 1074 E C -0.012 176.504 176.600 -0.140 0.000 0.980 1074 E CA 0.847 57.105 56.400 -0.237 0.000 0.803 1074 E CB -0.526 28.927 29.700 -0.412 0.000 0.766 1074 E HN 0.285 nan 8.360 nan 0.000 0.449 1075 P HA -0.110 nan 4.420 nan 0.000 0.223 1075 P C 1.063 178.320 177.300 -0.072 0.000 1.144 1075 P CA 1.444 64.497 63.100 -0.078 0.000 0.783 1075 P CB -0.126 31.525 31.700 -0.081 0.000 0.771 1076 A N 0.385 123.156 122.820 -0.082 0.000 1.940 1076 A HA -0.160 4.162 4.320 0.003 0.000 0.219 1076 A C 2.156 179.710 177.584 -0.051 0.000 1.176 1076 A CA 2.423 54.421 52.037 -0.066 0.000 0.631 1076 A CB -1.828 17.129 19.000 -0.071 0.000 0.814 1076 A HN 0.264 nan 8.150 nan 0.000 0.446 1077 T N -0.421 114.098 114.554 -0.058 0.000 3.085 1077 T HA -0.025 4.327 4.350 0.003 0.000 0.263 1077 T C 1.447 176.128 174.700 -0.031 0.000 1.127 1077 T CA 0.906 62.981 62.100 -0.043 0.000 1.103 1077 T CB -0.035 68.802 68.868 -0.051 0.000 0.921 1077 T HN 0.417 nan 8.240 nan 0.000 0.510 1078 Q N 0.572 120.352 119.800 -0.033 0.000 2.444 1078 Q HA 0.259 4.601 4.340 0.003 0.000 0.206 1078 Q C 0.374 176.363 176.000 -0.017 0.000 0.948 1078 Q CA 0.276 56.066 55.803 -0.022 0.000 0.946 1078 Q CB -0.347 28.378 28.738 -0.021 0.000 1.027 1078 Q HN 0.594 nan 8.270 nan 0.000 0.513 1079 M N 0.545 120.134 119.600 -0.019 0.000 2.108 1079 M HA 0.287 4.769 4.480 0.003 0.000 0.354 1079 M C -0.357 175.940 176.300 -0.005 0.000 1.229 1079 M CA 0.274 55.566 55.300 -0.013 0.000 1.081 1079 M CB 1.387 33.976 32.600 -0.018 0.000 1.606 1079 M HN -0.255 nan 8.290 nan 0.000 0.467 1080 T N 2.882 117.436 114.554 0.000 0.000 2.942 1080 T HA 0.600 4.952 4.350 0.003 0.000 0.327 1080 T C -1.296 173.410 174.700 0.011 0.000 1.360 1080 T CA -0.635 61.468 62.100 0.006 0.000 1.055 1080 T CB 2.379 71.251 68.868 0.006 0.000 1.261 1080 T HN 0.606 nan 8.240 nan 0.000 0.485 1093 K N 0.925 121.356 120.400 0.052 0.000 3.207 1093 K HA 0.310 4.632 4.320 0.003 0.000 0.166 1093 K C -1.230 175.399 176.600 0.049 0.000 1.079 1093 K CA -0.455 55.860 56.287 0.046 0.000 0.818 1093 K CB 1.248 33.774 32.500 0.044 0.000 0.967 1093 K HN 0.116 nan 8.250 nan 0.000 0.594 1094 V N -2.279 117.665 119.914 0.050 0.000 2.932 1094 V HA 0.514 4.636 4.120 0.003 0.000 0.307 1094 V C -0.058 176.065 176.094 0.049 0.000 1.147 1094 V CA -1.089 61.244 62.300 0.054 0.000 0.951 1094 V CB 1.583 33.446 31.823 0.067 0.000 1.031 1094 V HN 0.365 nan 8.190 nan 0.000 0.426 1095 T N 1.509 116.093 114.554 0.050 0.000 2.751 1095 T HA 0.527 4.879 4.350 0.003 0.000 0.290 1095 T C 0.443 175.172 174.700 0.049 0.000 0.919 1095 T CA 0.412 62.540 62.100 0.047 0.000 1.136 1095 T CB 0.033 68.930 68.868 0.049 0.000 0.875 1095 T HN 1.590 nan 8.240 nan 0.000 0.532 1096 S N 2.674 118.398 115.700 0.039 0.000 2.806 1096 S HA 0.935 5.407 4.470 0.003 0.000 0.315 1096 S C 0.663 175.276 174.600 0.022 0.000 1.127 1096 S CA -0.102 58.117 58.200 0.032 0.000 0.918 1096 S CB 1.262 64.479 63.200 0.028 0.000 1.240 1096 S HN 1.955 nan 8.310 nan 0.000 0.552 1097 G N 0.030 108.835 108.800 0.009 0.000 2.645 1097 G HA2 -0.208 3.754 3.960 0.003 0.000 0.246 1097 G HA3 -0.208 3.754 3.960 0.003 0.000 0.246 1097 G C 0.675 175.577 174.900 0.004 0.000 1.322 1097 G CA -0.035 45.066 45.100 0.002 0.000 0.898 1097 G HN 1.574 nan 8.290 nan 0.000 0.573 1098 V N 2.422 122.337 119.914 0.003 0.000 2.252 1098 V HA -0.245 3.877 4.120 0.003 0.000 0.255 1098 V C 0.957 177.063 176.094 0.020 0.000 1.071 1098 V CA 3.497 65.801 62.300 0.007 0.000 1.050 1098 V CB -1.499 30.330 31.823 0.010 0.000 0.654 1098 V HN 0.815 nan 8.190 nan 0.000 0.448 1099 P HA -0.152 nan 4.420 nan 0.000 0.219 1099 P C 1.542 178.869 177.300 0.046 0.000 1.150 1099 P CA 1.460 64.583 63.100 0.038 0.000 0.814 1099 P CB -0.017 31.704 31.700 0.035 0.000 0.787 1100 R N 0.461 120.986 120.500 0.042 0.000 2.070 1100 R HA -0.090 4.252 4.340 0.003 0.000 0.232 1100 R C 2.372 178.704 176.300 0.053 0.000 1.138 1100 R CA 1.207 57.339 56.100 0.054 0.000 0.936 1100 R CB -1.804 28.524 30.300 0.047 0.000 0.839 1100 R HN -0.027 nan 8.270 nan 0.000 0.429 1101 L N 1.410 122.648 121.223 0.025 0.000 2.054 1101 L HA -0.277 4.065 4.340 0.003 0.000 0.220 1101 L C 2.332 179.223 176.870 0.034 0.000 1.081 1101 L CA 2.390 57.236 54.840 0.009 0.000 0.780 1101 L CB -0.591 41.460 42.059 -0.014 0.000 0.893 1101 L HN 0.355 nan 8.230 nan 0.000 0.438 1102 K N -0.909 119.520 120.400 0.047 0.000 2.152 1102 K HA -0.222 4.100 4.320 0.003 0.000 0.206 1102 K C 1.946 178.600 176.600 0.089 0.000 1.048 1102 K CA 1.753 58.080 56.287 0.067 0.000 0.933 1102 K CB -0.031 32.512 32.500 0.072 0.000 0.721 1102 K HN 0.471 nan 8.250 nan 0.000 0.447 1103 E N 0.289 120.549 120.200 0.099 0.000 2.028 1103 E HA -0.115 4.237 4.350 0.003 0.000 0.190 1103 E C 1.991 178.713 176.600 0.203 0.000 0.984 1103 E CA 1.221 57.699 56.400 0.130 0.000 0.800 1103 E CB -0.007 29.766 29.700 0.123 0.000 0.758 1103 E HN 0.262 nan 8.360 nan 0.000 0.448 1104 I N 0.915 121.612 120.570 0.211 0.000 2.163 1104 I HA -0.315 3.857 4.170 0.003 0.000 0.243 1104 I C 2.177 178.417 176.117 0.205 0.000 1.085 1104 I CA 1.189 62.639 61.300 0.250 0.000 1.347 1104 I CB -0.180 37.815 38.000 -0.009 0.000 1.044 1104 I HN 0.128 nan 8.210 nan 0.000 0.408 1105 L N 0.204 121.485 121.223 0.096 0.000 2.201 1105 L HA -0.155 4.187 4.340 0.003 0.000 0.212 1105 L C 1.773 178.715 176.870 0.120 0.000 1.105 1105 L CA 0.927 55.807 54.840 0.067 0.000 0.775 1105 L CB -0.612 41.453 42.059 0.010 0.000 0.913 1105 L HN 0.277 nan 8.230 nan 0.000 0.440 1106 N N -0.575 118.211 118.700 0.143 0.000 2.467 1106 N HA 0.021 4.763 4.740 0.003 0.000 0.184 1106 N C 0.216 175.817 175.510 0.153 0.000 1.106 1106 N CA 0.193 53.330 53.050 0.144 0.000 0.892 1106 N CB 0.382 38.945 38.487 0.127 0.000 0.969 1106 N HN -0.076 nan 8.380 nan 0.000 0.454 1107 V N 0.543 120.582 119.914 0.208 0.000 6.104 1107 V HA -0.266 3.856 4.120 0.003 0.000 0.260 1107 V C 0.387 176.495 176.094 0.023 0.000 0.610 1107 V CA 0.155 62.535 62.300 0.134 0.000 0.645 1107 V CB -2.485 29.405 31.823 0.112 0.000 0.494 1107 V HN 0.419 nan 8.190 nan 0.000 0.545 1108 A N 3.771 126.604 122.820 0.023 0.000 2.513 1108 A HA 0.243 4.565 4.320 0.003 0.000 0.274 1108 A C 1.441 178.982 177.584 -0.072 0.000 1.115 1108 A CA 0.355 52.392 52.037 -0.000 0.000 0.792 1108 A CB 0.116 19.136 19.000 0.034 0.000 1.053 1108 A HN 0.603 nan 8.150 nan 0.000 0.515 1109 K N 1.757 122.132 120.400 -0.042 0.000 2.155 1109 K HA -0.044 4.278 4.320 0.003 0.000 0.203 1109 K C 0.039 176.614 176.600 -0.043 0.000 1.052 1109 K CA 0.834 57.089 56.287 -0.053 0.000 0.948 1109 K CB 0.063 32.545 32.500 -0.030 0.000 0.728 1109 K HN 0.767 nan 8.250 nan 0.000 0.448 1110 N N 2.001 120.689 118.700 -0.020 0.000 3.025 1110 N HA 0.091 4.833 4.740 0.003 0.000 0.315 1110 N C -0.007 175.501 175.510 -0.003 0.000 1.511 1110 N CA -0.087 52.958 53.050 -0.009 0.000 1.097 1110 N CB 0.356 38.845 38.487 0.004 0.000 1.395 1110 N HN 0.255 nan 8.380 nan 0.000 0.511 1111 M N -1.223 118.368 119.600 -0.015 0.000 2.188 1111 M HA 0.254 4.736 4.480 0.003 0.000 0.354 1111 M C 0.640 176.945 176.300 0.008 0.000 1.342 1111 M CA -0.050 55.250 55.300 0.000 0.000 1.117 1111 M CB 1.559 34.152 32.600 -0.012 0.000 1.670 1111 M HN -0.125 nan 8.290 nan 0.000 0.466 1112 K N 1.923 122.336 120.400 0.022 0.000 2.001 1112 K HA 0.018 4.340 4.320 0.003 0.000 0.208 1112 K C 0.055 176.668 176.600 0.022 0.000 1.048 1112 K CA 1.367 57.668 56.287 0.022 0.000 0.932 1112 K CB 0.157 32.674 32.500 0.029 0.000 0.715 1112 K HN 0.786 nan 8.250 nan 0.000 0.437 1113 T N 3.599 118.170 114.554 0.029 0.000 3.042 1113 T HA 0.285 4.637 4.350 0.003 0.000 0.356 1113 T C -2.645 172.070 174.700 0.024 0.000 1.233 1113 T CA -1.595 60.522 62.100 0.028 0.000 1.038 1113 T CB 1.557 70.448 68.868 0.038 0.000 1.089 1113 T HN -0.033 nan 8.240 nan 0.000 0.531 1114 P HA 0.596 nan 4.420 nan 0.000 0.279 1114 P C -0.633 176.665 177.300 -0.004 0.000 1.252 1114 P CA -0.706 62.390 63.100 -0.007 0.000 0.811 1114 P CB 1.013 32.699 31.700 -0.024 0.000 1.035 1115 S N 1.711 117.401 115.700 -0.017 0.000 2.561 1115 S HA 0.297 4.769 4.470 0.003 0.000 0.292 1115 S C -1.062 173.512 174.600 -0.043 0.000 1.107 1115 S CA -0.634 57.559 58.200 -0.012 0.000 0.969 1115 S CB -0.099 63.112 63.200 0.019 0.000 1.150 1115 S HN 0.147 nan 8.310 nan 0.000 0.451 1116 L N 3.183 124.376 121.223 -0.049 0.000 2.472 1116 L HA 0.569 4.911 4.340 0.003 0.000 0.260 1116 L C 0.648 177.474 176.870 -0.074 0.000 1.209 1116 L CA 0.596 55.394 54.840 -0.070 0.000 0.817 1116 L CB 1.113 43.135 42.059 -0.061 0.000 1.106 1116 L HN 0.849 nan 8.230 nan 0.000 0.479 1117 T N 1.218 115.704 114.554 -0.113 0.000 3.298 1117 T HA 0.276 4.628 4.350 0.003 0.000 0.318 1117 T C -0.343 174.117 174.700 -0.400 0.000 1.165 1117 T CA -0.490 61.480 62.100 -0.217 0.000 1.557 1117 T CB 0.532 69.335 68.868 -0.108 0.000 0.898 1117 T HN 0.268 nan 8.240 nan 0.000 0.585 1118 V N 1.616 121.354 119.914 -0.293 0.000 2.637 1118 V HA 0.416 4.538 4.120 0.003 0.000 0.296 1118 V C -0.321 175.583 176.094 -0.316 0.000 1.046 1118 V CA -0.541 61.624 62.300 -0.225 0.000 1.066 1118 V CB -0.304 31.464 31.823 -0.091 0.000 0.968 1118 V HN 0.612 nan 8.190 nan 0.000 0.483 1119 Y N 2.892 123.199 120.300 0.011 0.000 2.487 1119 Y HA 0.658 5.210 4.550 0.003 0.000 0.337 1119 Y C 0.068 175.988 175.900 0.034 0.000 1.076 1119 Y CA -0.980 57.128 58.100 0.013 0.000 1.115 1119 Y CB 1.857 40.335 38.460 0.030 0.000 1.235 1119 Y HN 0.463 nan 8.280 nan 0.000 0.468 1120 L N 1.547 122.913 121.223 0.238 0.000 2.379 1120 L HA 0.211 4.553 4.340 0.003 0.000 0.269 1120 L C 0.200 177.155 176.870 0.142 0.000 1.084 1120 L CA -0.340 54.600 54.840 0.167 0.000 0.802 1120 L CB 0.958 43.124 42.059 0.178 0.000 1.175 1120 L HN 0.588 nan 8.230 nan 0.000 0.448 1121 E N 3.846 124.126 120.200 0.133 0.000 2.608 1121 E HA -0.117 4.235 4.350 0.003 0.000 0.259 1121 E C -1.636 175.003 176.600 0.065 0.000 0.951 1121 E CA -0.835 55.631 56.400 0.110 0.000 0.945 1121 E CB 0.746 30.544 29.700 0.163 0.000 0.916 1121 E HN 0.353 nan 8.360 nan 0.000 0.477 1122 P HA -0.231 nan 4.420 nan 0.000 0.219 1122 P C 1.018 178.285 177.300 -0.055 0.000 1.158 1122 P CA 1.978 65.068 63.100 -0.016 0.000 0.895 1122 P CB 0.044 31.726 31.700 -0.029 0.000 0.792 1123 G N -1.556 107.161 108.800 -0.139 0.000 2.394 1123 G HA2 -0.141 3.820 3.960 0.003 0.000 0.215 1123 G HA3 -0.141 3.820 3.960 0.003 0.000 0.215 1123 G C 0.479 175.205 174.900 -0.290 0.000 1.165 1123 G CA 0.477 45.412 45.100 -0.274 0.000 0.784 1123 G HN 0.340 nan 8.290 nan 0.000 0.535 1124 H N 0.433 119.528 119.070 0.042 0.000 2.761 1124 H HA 0.609 5.166 4.556 0.003 0.000 0.284 1124 H C 0.644 176.025 175.328 0.088 0.000 1.105 1124 H CA 0.205 56.288 56.048 0.058 0.000 1.352 1124 H CB 1.414 31.203 29.762 0.045 0.000 1.423 1124 H HN 0.241 nan 8.280 nan 0.000 0.464 1125 A N 2.593 125.534 122.820 0.201 0.000 1.786 1125 A HA 0.347 4.669 4.320 0.003 0.000 0.208 1125 A C 1.731 179.494 177.584 0.298 0.000 1.787 1125 A CA 0.579 52.737 52.037 0.201 0.000 1.125 1125 A CB -0.324 18.743 19.000 0.112 0.000 1.082 1125 A HN 0.551 nan 8.150 nan 0.000 0.534 1126 A N -0.176 122.794 122.820 0.250 0.000 2.251 1126 A HA 0.213 4.535 4.320 0.003 0.000 0.209 1126 A C 0.487 178.305 177.584 0.391 0.000 1.187 1126 A CA 0.545 52.776 52.037 0.324 0.000 0.823 1126 A CB -0.321 18.775 19.000 0.161 0.000 0.846 1126 A HN 0.286 nan 8.150 nan 0.000 0.486 1127 D N 1.084 121.653 120.400 0.282 0.000 2.489 1127 D HA 0.060 4.702 4.640 0.003 0.000 0.237 1127 D C 1.455 177.764 176.300 0.013 0.000 1.212 1127 D CA 0.068 54.157 54.000 0.150 0.000 1.058 1127 D CB 0.308 41.186 40.800 0.130 0.000 1.098 1127 D HN 0.624 nan 8.370 nan 0.000 0.509 1128 Q N 1.588 121.362 119.800 -0.044 0.000 2.364 1128 Q HA -0.161 4.181 4.340 0.003 0.000 0.209 1128 Q C 1.465 177.259 176.000 -0.343 0.000 0.977 1128 Q CA 1.328 56.857 55.803 -0.457 0.000 0.885 1128 Q CB 0.047 28.594 28.738 -0.318 0.000 0.941 1128 Q HN 0.509 nan 8.270 nan 0.000 0.464 1129 E N 0.352 120.450 120.200 -0.169 0.000 2.051 1129 E HA -0.267 4.085 4.350 0.003 0.000 0.189 1129 E C 2.044 178.554 176.600 -0.150 0.000 0.979 1129 E CA 1.054 57.369 56.400 -0.142 0.000 0.803 1129 E CB -0.018 29.632 29.700 -0.083 0.000 0.761 1129 E HN 0.533 nan 8.360 nan 0.000 0.451 1130 Q N 0.947 120.673 119.800 -0.123 0.000 2.077 1130 Q HA -0.213 4.129 4.340 0.003 0.000 0.206 1130 Q C 1.899 177.818 176.000 -0.134 0.000 0.989 1130 Q CA 2.333 58.059 55.803 -0.128 0.000 0.853 1130 Q CB -0.500 28.173 28.738 -0.109 0.000 0.907 1130 Q HN 0.330 nan 8.270 nan 0.000 0.418 1131 A N 0.835 123.550 122.820 -0.175 0.000 1.881 1131 A HA -0.349 3.973 4.320 0.003 0.000 0.219 1131 A C 2.062 179.525 177.584 -0.202 0.000 1.215 1131 A CA 2.282 54.192 52.037 -0.212 0.000 0.648 1131 A CB -0.821 17.904 19.000 -0.459 0.000 0.832 1131 A HN 0.502 nan 8.150 nan 0.000 0.455 1132 K N -0.898 119.362 120.400 -0.234 0.000 2.074 1132 K HA -0.151 4.171 4.320 0.003 0.000 0.209 1132 K C 1.919 178.435 176.600 -0.139 0.000 1.048 1132 K CA 1.403 57.574 56.287 -0.192 0.000 0.926 1132 K CB -0.359 32.034 32.500 -0.178 0.000 0.713 1132 K HN 0.351 nan 8.250 nan 0.000 0.444 1133 L N 0.656 121.805 121.223 -0.123 0.000 2.012 1133 L HA -0.204 4.138 4.340 0.003 0.000 0.210 1133 L C 2.291 179.113 176.870 -0.079 0.000 1.073 1133 L CA 1.743 56.525 54.840 -0.096 0.000 0.748 1133 L CB -0.855 41.146 42.059 -0.097 0.000 0.891 1133 L HN 0.181 nan 8.230 nan 0.000 0.431 1134 I N -0.982 119.542 120.570 -0.076 0.000 2.252 1134 I HA -0.220 3.952 4.170 0.003 0.000 0.245 1134 I C 2.744 178.826 176.117 -0.058 0.000 1.102 1134 I CA 0.793 62.060 61.300 -0.055 0.000 1.385 1134 I CB -0.543 37.434 38.000 -0.039 0.000 1.064 1134 I HN 0.209 nan 8.210 nan 0.000 0.414 1135 R N 1.023 121.474 120.500 -0.082 0.000 2.133 1135 R HA -0.283 4.059 4.340 0.003 0.000 0.245 1135 R C 2.429 178.691 176.300 -0.064 0.000 1.137 1135 R CA 2.533 58.579 56.100 -0.090 0.000 0.947 1135 R CB -0.523 29.687 30.300 -0.149 0.000 0.865 1135 R HN 0.543 nan 8.270 nan 0.000 0.437 1136 S N -0.806 114.853 115.700 -0.068 0.000 2.453 1136 S HA 0.035 4.507 4.470 0.003 0.000 0.231 1136 S C 1.783 176.364 174.600 -0.032 0.000 1.005 1136 S CA 0.753 58.924 58.200 -0.048 0.000 0.949 1136 S CB 0.209 63.375 63.200 -0.056 0.000 0.774 1136 S HN 0.449 nan 8.310 nan 0.000 0.510 1137 A N 1.246 124.046 122.820 -0.033 0.000 2.251 1137 A HA 0.452 4.774 4.320 0.003 0.000 0.209 1137 A C 1.913 179.491 177.584 -0.010 0.000 1.187 1137 A CA 0.467 52.491 52.037 -0.022 0.000 0.823 1137 A CB -0.605 18.380 19.000 -0.026 0.000 0.846 1137 A HN 0.821 nan 8.150 nan 0.000 0.486 1138 I N -4.173 116.393 120.570 -0.007 0.000 3.565 1138 I HA 0.267 4.439 4.170 0.003 0.000 0.287 1138 I C 0.710 176.846 176.117 0.032 0.000 1.193 1138 I CA -0.073 61.230 61.300 0.005 0.000 1.402 1138 I CB -0.563 37.433 38.000 -0.006 0.000 1.284 1138 I HN 0.065 nan 8.210 nan 0.000 0.454 1139 E N 3.405 123.624 120.200 0.031 0.000 2.905 1139 E HA -0.217 4.135 4.350 0.003 0.000 0.240 1139 E C -0.100 176.550 176.600 0.083 0.000 0.990 1139 E CA 0.419 56.854 56.400 0.058 0.000 0.954 1139 E CB -0.373 29.353 29.700 0.043 0.000 0.908 1139 E HN 0.430 nan 8.360 nan 0.000 0.532 1140 H N 3.472 122.540 119.070 -0.003 0.000 3.015 1140 H HA 0.213 4.771 4.556 0.003 0.000 0.268 1140 H C -0.965 174.355 175.328 -0.013 0.000 1.113 1140 H CA -0.037 56.004 56.048 -0.012 0.000 1.479 1140 H CB 0.264 30.018 29.762 -0.014 0.000 1.493 1140 H HN 0.308 nan 8.280 nan 0.000 0.486 1141 T N 5.557 119.955 114.554 -0.259 0.000 2.770 1141 T HA 0.291 4.643 4.350 0.003 0.000 0.283 1141 T C -0.291 174.224 174.700 -0.309 0.000 0.988 1141 T CA -0.787 61.163 62.100 -0.250 0.000 0.957 1141 T CB 0.750 69.548 68.868 -0.116 0.000 0.930 1141 T HN 0.706 nan 8.240 nan 0.000 0.443 1142 T N 1.809 116.185 114.554 -0.297 0.000 2.907 1142 T HA 0.346 4.698 4.350 0.003 0.000 0.284 1142 T C 1.281 175.911 174.700 -0.117 0.000 1.004 1142 T CA -0.946 61.032 62.100 -0.203 0.000 1.063 1142 T CB 1.153 69.918 68.868 -0.172 0.000 0.992 1142 T HN 0.246 nan 8.240 nan 0.000 0.483 1143 L N 1.231 122.404 121.223 -0.084 0.000 2.263 1143 L HA -0.052 4.290 4.340 0.003 0.000 0.216 1143 L C 2.334 179.177 176.870 -0.045 0.000 1.111 1143 L CA 1.708 56.515 54.840 -0.056 0.000 0.773 1143 L CB -0.893 41.147 42.059 -0.031 0.000 0.906 1143 L HN 0.806 nan 8.230 nan 0.000 0.439 1144 K N -0.625 119.746 120.400 -0.048 0.000 2.097 1144 K HA -0.107 4.215 4.320 0.003 0.000 0.206 1144 K C 1.377 177.952 176.600 -0.041 0.000 1.049 1144 K CA 1.405 57.670 56.287 -0.036 0.000 0.933 1144 K CB -0.087 32.392 32.500 -0.035 0.000 0.717 1144 K HN 0.557 nan 8.250 nan 0.000 0.442 1145 S N -0.119 115.546 115.700 -0.058 0.000 2.582 1145 S HA 0.137 4.609 4.470 0.003 0.000 0.249 1145 S C 0.618 175.187 174.600 -0.052 0.000 1.072 1145 S CA -0.155 58.012 58.200 -0.056 0.000 1.115 1145 S CB 0.277 63.435 63.200 -0.069 0.000 0.790 1145 S HN 0.158 nan 8.310 nan 0.000 0.459 1146 V N -4.331 115.556 119.914 -0.045 0.000 3.406 1146 V HA 0.300 4.422 4.120 0.003 0.000 0.266 1146 V C 0.294 176.368 176.094 -0.032 0.000 1.697 1146 V CA -0.135 62.139 62.300 -0.043 0.000 1.046 1146 V CB -0.739 31.052 31.823 -0.054 0.000 0.879 1146 V HN 0.364 nan 8.190 nan 0.000 0.399 1147 T N 2.114 116.653 114.554 -0.026 0.000 2.901 1147 T HA 0.509 4.861 4.350 0.003 0.000 0.301 1147 T C 1.241 175.935 174.700 -0.010 0.000 1.012 1147 T CA 0.399 62.491 62.100 -0.014 0.000 1.135 1147 T CB 1.975 70.839 68.868 -0.007 0.000 0.936 1147 T HN 0.217 nan 8.240 nan 0.000 0.539 1148 I N 1.319 121.886 120.570 -0.004 0.000 2.185 1148 I HA 0.192 4.364 4.170 0.003 0.000 0.235 1148 I C 1.295 177.417 176.117 0.008 0.000 1.069 1148 I CA 0.636 61.936 61.300 0.001 0.000 1.354 1148 I CB -0.081 37.921 38.000 0.004 0.000 1.093 1148 I HN 0.640 nan 8.210 nan 0.000 0.411 1149 A N -0.072 122.758 122.820 0.017 0.000 2.539 1149 A HA 0.616 4.938 4.320 0.003 0.000 0.296 1149 A C -0.652 176.953 177.584 0.035 0.000 1.073 1149 A CA -0.408 51.646 52.037 0.028 0.000 0.700 1149 A CB 1.409 20.433 19.000 0.039 0.000 1.296 1149 A HN 0.238 nan 8.150 nan 0.000 0.405 1150 S N 0.911 116.635 115.700 0.041 0.000 2.472 1150 S HA 0.804 5.276 4.470 0.003 0.000 0.303 1150 S C -0.699 173.947 174.600 0.077 0.000 1.099 1150 S CA -0.489 57.740 58.200 0.049 0.000 1.077 1150 S CB 1.276 64.498 63.200 0.035 0.000 1.031 1150 S HN 0.679 nan 8.310 nan 0.000 0.487 1151 E N 1.102 121.370 120.200 0.113 0.000 2.393 1151 E HA 0.526 4.878 4.350 0.003 0.000 0.273 1151 E C -1.529 175.202 176.600 0.218 0.000 0.918 1151 E CA -0.789 55.728 56.400 0.195 0.000 0.773 1151 E CB 1.927 31.853 29.700 0.376 0.000 1.275 1151 E HN 0.555 nan 8.360 nan 0.000 0.451 1152 I N 2.672 123.373 120.570 0.219 0.000 2.460 1152 I HA 0.209 4.381 4.170 0.003 0.000 0.277 1152 I C -1.158 175.179 176.117 0.366 0.000 1.057 1152 I CA -0.191 61.246 61.300 0.228 0.000 1.179 1152 I CB -0.024 37.982 38.000 0.010 0.000 1.329 1152 I HN 0.377 nan 8.210 nan 0.000 0.478 1153 Y N 3.902 124.351 120.300 0.249 0.000 2.326 1153 Y HA 0.232 4.784 4.550 0.003 0.000 0.324 1153 Y C -0.179 176.010 175.900 0.481 0.000 1.291 1153 Y CA -0.342 57.933 58.100 0.291 0.000 1.348 1153 Y CB 0.625 39.185 38.460 0.166 0.000 1.294 1153 Y HN 0.373 nan 8.280 nan 0.000 0.525 1154 Y N 2.349 122.858 120.300 0.349 0.000 2.593 1154 Y HA 0.289 4.841 4.550 0.003 0.000 0.331 1154 Y C -0.935 174.951 175.900 -0.024 0.000 0.986 1154 Y CA -1.204 56.902 58.100 0.010 0.000 1.262 1154 Y CB 0.186 38.530 38.460 -0.193 0.000 1.098 1154 Y HN 0.485 nan 8.280 nan 0.000 0.506 1155 D N 8.282 128.462 120.400 -0.366 0.000 2.477 1155 D HA 0.305 4.947 4.640 0.003 0.000 0.239 1155 D C -1.978 174.011 176.300 -0.518 0.000 1.102 1155 D CA -2.375 51.433 54.000 -0.320 0.000 0.901 1155 D CB 1.551 42.293 40.800 -0.096 0.000 1.026 1155 D HN 0.291 nan 8.370 nan 0.000 0.515 1156 P HA -0.010 nan 4.420 nan 0.000 0.224 1156 P C 0.227 177.343 177.300 -0.307 0.000 1.157 1156 P CA 0.243 62.961 63.100 -0.637 0.000 0.799 1156 P CB 0.403 31.735 31.700 -0.613 0.000 0.809 1157 D N 0.917 121.181 120.400 -0.226 0.000 2.402 1157 D HA 0.095 4.737 4.640 0.003 0.000 0.235 1157 D C -1.581 174.648 176.300 -0.119 0.000 1.226 1157 D CA -2.214 51.704 54.000 -0.138 0.000 0.918 1157 D CB 0.655 41.397 40.800 -0.098 0.000 1.043 1157 D HN 0.002 nan 8.370 nan 0.000 0.506 1158 P HA -0.050 nan 4.420 nan 0.000 0.222 1158 P C 0.891 178.155 177.300 -0.060 0.000 1.147 1158 P CA 0.812 63.854 63.100 -0.095 0.000 0.790 1158 P CB 0.326 31.955 31.700 -0.118 0.000 0.780 1159 R N -1.725 118.742 120.500 -0.054 0.000 2.362 1159 R HA 0.309 4.651 4.340 0.003 0.000 0.227 1159 R C 0.244 176.536 176.300 -0.013 0.000 0.905 1159 R CA 0.241 56.326 56.100 -0.026 0.000 1.067 1159 R CB 0.461 30.741 30.300 -0.033 0.000 1.078 1159 R HN 0.002 nan 8.270 nan 0.000 0.516 1160 S N 0.562 116.246 115.700 -0.026 0.000 2.720 1160 S HA 0.213 4.685 4.470 0.003 0.000 0.278 1160 S C -0.473 174.112 174.600 -0.025 0.000 1.172 1160 S CA -0.475 57.714 58.200 -0.018 0.000 1.019 1160 S CB 1.381 64.572 63.200 -0.016 0.000 1.049 1160 S HN 0.063 nan 8.310 nan 0.000 0.483 1161 T N 3.182 117.729 114.554 -0.013 0.000 2.855 1161 T HA 0.127 4.479 4.350 0.003 0.000 0.314 1161 T C 1.643 176.344 174.700 0.001 0.000 1.077 1161 T CA -0.452 61.642 62.100 -0.010 0.000 1.095 1161 T CB 0.763 69.627 68.868 -0.007 0.000 0.987 1161 T HN 0.473 nan 8.240 nan 0.000 0.546 1162 V N 0.724 120.650 119.914 0.021 0.000 3.052 1162 V HA 0.119 4.240 4.120 0.003 0.000 0.254 1162 V C 0.818 176.949 176.094 0.062 0.000 1.100 1162 V CA 0.845 63.173 62.300 0.047 0.000 1.112 1162 V CB -0.670 31.202 31.823 0.081 0.000 0.738 1162 V HN 0.667 nan 8.190 nan 0.000 0.469 1163 I N 1.565 122.168 120.570 0.054 0.000 2.359 1163 I HA 0.284 4.456 4.170 0.003 0.000 0.294 1163 I C -1.236 174.894 176.117 0.022 0.000 0.987 1163 I CA -1.982 59.349 61.300 0.052 0.000 1.225 1163 I CB 1.334 39.346 38.000 0.019 0.000 1.366 1163 I HN -0.041 nan 8.210 nan 0.000 0.466 1164 P HA -0.086 nan 4.420 nan 0.000 0.225 1164 P C 0.824 178.129 177.300 0.009 0.000 1.156 1164 P CA 1.139 64.250 63.100 0.018 0.000 0.787 1164 P CB 0.272 31.986 31.700 0.024 0.000 0.802 1165 E N 0.082 120.286 120.200 0.005 0.000 2.204 1165 E HA -0.102 4.250 4.350 0.003 0.000 0.194 1165 E C 0.335 176.928 176.600 -0.011 0.000 0.989 1165 E CA 0.759 57.157 56.400 -0.003 0.000 0.824 1165 E CB -0.290 29.404 29.700 -0.009 0.000 0.756 1165 E HN 0.250 nan 8.360 nan 0.000 0.477 1166 D N 0.022 120.412 120.400 -0.017 0.000 3.008 1166 D HA 0.048 4.689 4.640 0.003 0.000 0.312 1166 D C 0.511 176.806 176.300 -0.008 0.000 1.361 1166 D CA 0.042 54.031 54.000 -0.019 0.000 0.858 1166 D CB 0.460 41.235 40.800 -0.040 0.000 1.098 1166 D HN 0.143 nan 8.370 nan 0.000 0.482 1167 E N 0.590 120.789 120.200 -0.002 0.000 2.057 1167 E HA -0.088 4.264 4.350 0.003 0.000 0.190 1167 E C 1.432 178.033 176.600 0.002 0.000 0.969 1167 E CA 0.337 56.738 56.400 0.002 0.000 0.812 1167 E CB 0.401 30.104 29.700 0.005 0.000 0.777 1167 E HN 0.216 nan 8.360 nan 0.000 0.455 1168 E N 0.264 120.462 120.200 -0.002 0.000 2.204 1168 E HA -0.173 4.179 4.350 0.003 0.000 0.195 1168 E C 1.946 178.535 176.600 -0.018 0.000 0.990 1168 E CA 0.737 57.131 56.400 -0.009 0.000 0.821 1168 E CB 0.041 29.734 29.700 -0.010 0.000 0.750 1168 E HN 0.251 nan 8.360 nan 0.000 0.477 1169 I N 0.717 121.279 120.570 -0.012 0.000 2.761 1169 I HA -0.195 3.977 4.170 0.003 0.000 0.261 1169 I C 2.002 178.112 176.117 -0.011 0.000 1.198 1169 I CA 0.346 61.635 61.300 -0.018 0.000 1.482 1169 I CB 0.018 38.017 38.000 -0.002 0.000 1.100 1169 I HN 0.200 nan 8.210 nan 0.000 0.445 1170 I N 0.170 120.744 120.570 0.008 0.000 2.333 1170 I HA -0.203 3.969 4.170 0.003 0.000 0.246 1170 I C 2.370 178.518 176.117 0.051 0.000 1.106 1170 I CA 1.273 62.595 61.300 0.037 0.000 1.411 1170 I CB -0.965 37.056 38.000 0.035 0.000 1.082 1170 I HN 0.343 nan 8.210 nan 0.000 0.420 1171 Q N 0.732 120.548 119.800 0.026 0.000 2.156 1171 Q HA -0.164 4.178 4.340 0.003 0.000 0.211 1171 Q C 0.723 176.702 176.000 -0.034 0.000 0.995 1171 Q CA 1.218 57.042 55.803 0.036 0.000 0.877 1171 Q CB -0.246 28.494 28.738 0.003 0.000 0.920 1171 Q HN 0.524 nan 8.270 nan 0.000 0.416 1172 L N -2.547 118.581 121.223 -0.159 0.000 2.401 1172 L HA 0.531 4.873 4.340 0.003 0.000 0.263 1172 L C -0.897 175.774 176.870 -0.332 0.000 1.004 1172 L CA -0.740 53.843 54.840 -0.429 0.000 0.881 1172 L CB 1.322 43.136 42.059 -0.409 0.000 1.219 1172 L HN -0.060 nan 8.230 nan 0.000 0.441 1173 H N 6.352 125.229 119.070 -0.322 0.000 2.538 1173 H HA 0.363 4.921 4.556 0.003 0.000 0.239 1173 H C -1.517 173.815 175.328 0.006 0.000 1.401 1173 H CA -0.502 55.426 56.048 -0.199 0.000 1.499 1173 H CB 0.943 30.630 29.762 -0.125 0.000 1.624 1173 H HN 0.830 nan 8.280 nan 0.000 0.524 1174 F N 0.548 120.532 119.950 0.057 0.000 2.554 1174 F HA 0.413 4.942 4.527 0.003 0.000 0.387 1174 F C -0.903 174.898 175.800 0.002 0.000 1.462 1174 F CA -0.667 57.368 58.000 0.059 0.000 1.072 1174 F CB -0.193 38.833 39.000 0.044 0.000 1.894 1174 F HN 0.103 nan 8.300 nan 0.000 0.506 1175 S N 1.774 117.431 115.700 -0.072 0.000 2.536 1175 S HA 0.720 5.192 4.470 0.003 0.000 0.271 1175 S C -1.583 172.978 174.600 -0.064 0.000 1.134 1175 S CA -0.578 57.577 58.200 -0.076 0.000 0.897 1175 S CB 1.897 64.989 63.200 -0.180 0.000 1.094 1175 S HN 0.542 nan 8.310 nan 0.000 0.473 1188 Q N 1.505 121.260 119.800 -0.076 0.000 2.363 1188 Q HA 0.581 4.923 4.340 0.003 0.000 0.265 1188 Q C -1.131 174.842 176.000 -0.046 0.000 1.032 1188 Q CA -0.369 55.388 55.803 -0.076 0.000 0.746 1188 Q CB 1.696 30.338 28.738 -0.160 0.000 1.237 1188 Q HN 0.188 nan 8.270 nan 0.000 0.475 1189 S N 3.942 119.644 115.700 0.002 0.000 2.562 1189 S HA 0.193 4.665 4.470 0.003 0.000 0.281 1189 S C -1.841 172.755 174.600 -0.007 0.000 1.333 1189 S CA -1.007 57.208 58.200 0.026 0.000 1.052 1189 S CB 0.657 63.922 63.200 0.108 0.000 0.884 1189 S HN 0.586 nan 8.310 nan 0.000 0.506 1190 P HA 0.111 nan 4.420 nan 0.000 0.249 1190 P C -0.780 176.347 177.300 -0.287 0.000 1.241 1190 P CA 0.297 63.218 63.100 -0.298 0.000 0.781 1190 P CB -0.075 31.340 31.700 -0.475 0.000 1.088 1191 W N 0.811 122.159 121.300 0.079 0.000 2.342 1191 W HA 0.384 5.046 4.660 0.003 0.000 0.310 1191 W C -0.093 176.470 176.519 0.073 0.000 1.128 1191 W CA -0.963 56.453 57.345 0.120 0.000 1.322 1191 W CB 0.772 30.305 29.460 0.121 0.000 1.251 1191 W HN -0.176 nan 8.180 nan 0.000 0.439 1192 L N 6.887 128.374 121.223 0.440 0.000 2.337 1192 L HA 0.376 4.718 4.340 0.003 0.000 0.269 1192 L C -0.732 176.268 176.870 0.218 0.000 1.018 1192 L CA -0.803 54.183 54.840 0.243 0.000 0.876 1192 L CB 0.016 42.174 42.059 0.165 0.000 1.236 1192 L HN 0.233 nan 8.230 nan 0.000 0.436 1193 L N 5.281 126.591 121.223 0.146 0.000 2.477 1193 L HA 0.313 4.655 4.340 0.003 0.000 0.272 1193 L C -0.181 176.732 176.870 0.071 0.000 1.157 1193 L CA 0.663 55.562 54.840 0.098 0.000 0.889 1193 L CB 0.116 42.202 42.059 0.046 0.000 1.158 1193 L HN 0.784 nan 8.230 nan 0.000 0.473 1194 R N 5.380 125.919 120.500 0.066 0.000 2.476 1194 R HA 0.618 4.960 4.340 0.003 0.000 0.305 1194 R C -1.661 174.650 176.300 0.018 0.000 0.965 1194 R CA -0.706 55.401 56.100 0.012 0.000 0.867 1194 R CB 1.023 31.270 30.300 -0.087 0.000 1.176 1194 R HN 0.669 nan 8.270 nan 0.000 0.447 1195 L N 2.966 124.200 121.223 0.018 0.000 2.322 1195 L HA 0.471 4.812 4.340 0.003 0.000 0.281 1195 L C -0.135 176.740 176.870 0.008 0.000 1.014 1195 L CA -0.501 54.351 54.840 0.019 0.000 0.815 1195 L CB 1.910 43.983 42.059 0.024 0.000 1.247 1195 L HN 0.582 nan 8.230 nan 0.000 0.421 1196 E N 3.544 123.748 120.200 0.006 0.000 2.151 1196 E HA 0.539 4.891 4.350 0.003 0.000 0.275 1196 E C -1.384 175.215 176.600 -0.002 0.000 0.936 1196 E CA -0.603 55.798 56.400 0.002 0.000 0.777 1196 E CB 1.182 30.885 29.700 0.005 0.000 1.108 1196 E HN 0.467 nan 8.360 nan 0.000 0.401 1197 L N 3.129 124.347 121.223 -0.008 0.000 2.325 1197 L HA 0.329 4.671 4.340 0.003 0.000 0.278 1197 L C 0.261 177.121 176.870 -0.017 0.000 1.023 1197 L CA -0.940 53.889 54.840 -0.018 0.000 0.811 1197 L CB 1.347 43.388 42.059 -0.031 0.000 1.249 1197 L HN 0.521 nan 8.230 nan 0.000 0.431 1198 D N 2.317 122.705 120.400 -0.020 0.000 2.358 1198 D HA 0.006 4.648 4.640 0.003 0.000 0.258 1198 D C 1.062 177.349 176.300 -0.022 0.000 1.223 1198 D CA 0.121 54.110 54.000 -0.018 0.000 0.886 1198 D CB 1.093 41.881 40.800 -0.020 0.000 1.120 1198 D HN 0.484 nan 8.370 nan 0.000 0.482 1199 R N 3.305 123.795 120.500 -0.018 0.000 2.096 1199 R HA -0.226 4.116 4.340 0.003 0.000 0.240 1199 R C 1.826 178.113 176.300 -0.021 0.000 1.139 1199 R CA 1.928 58.017 56.100 -0.019 0.000 0.952 1199 R CB -0.054 30.238 30.300 -0.014 0.000 0.854 1199 R HN 0.532 nan 8.270 nan 0.000 0.436 1200 A N 0.308 123.117 122.820 -0.019 0.000 1.929 1200 A HA 0.006 4.328 4.320 0.003 0.000 0.216 1200 A C 2.216 179.787 177.584 -0.021 0.000 1.176 1200 A CA 1.321 53.347 52.037 -0.018 0.000 0.628 1200 A CB -0.521 18.470 19.000 -0.015 0.000 0.816 1200 A HN 0.507 nan 8.150 nan 0.000 0.444 1201 A N -0.920 121.885 122.820 -0.025 0.000 2.216 1201 A HA 0.004 4.326 4.320 0.003 0.000 0.214 1201 A C 1.845 179.408 177.584 -0.034 0.000 1.160 1201 A CA 1.451 53.471 52.037 -0.030 0.000 0.725 1201 A CB -0.410 18.570 19.000 -0.033 0.000 0.784 1201 A HN 0.449 nan 8.150 nan 0.000 0.472 1202 M N -0.578 119.001 119.600 -0.036 0.000 2.509 1202 M HA 0.097 4.579 4.480 0.003 0.000 0.250 1202 M C 0.886 177.164 176.300 -0.036 0.000 1.132 1202 M CA 0.491 55.765 55.300 -0.043 0.000 1.080 1202 M CB -0.988 31.583 32.600 -0.049 0.000 1.408 1202 M HN 0.324 nan 8.290 nan 0.000 0.484 1203 N N 1.074 119.758 118.700 -0.027 0.000 2.322 1203 N HA -0.092 4.650 4.740 0.003 0.000 0.186 1203 N C 1.324 176.825 175.510 -0.015 0.000 1.037 1203 N CA 0.966 54.003 53.050 -0.022 0.000 0.869 1203 N CB -0.576 37.900 38.487 -0.018 0.000 1.036 1203 N HN 0.199 nan 8.380 nan 0.000 0.439 1204 D N 1.261 121.657 120.400 -0.007 0.000 2.355 1204 D HA -0.170 4.472 4.640 0.003 0.000 0.192 1204 D C 0.072 176.384 176.300 0.019 0.000 1.014 1204 D CA 1.597 55.605 54.000 0.013 0.000 0.862 1204 D CB -0.011 40.794 40.800 0.010 0.000 0.986 1204 D HN 0.241 nan 8.370 nan 0.000 0.456 1205 K N 0.240 120.643 120.400 0.004 0.000 2.090 1205 K HA 0.232 4.554 4.320 0.003 0.000 0.250 1205 K C -0.527 176.057 176.600 -0.027 0.000 1.004 1205 K CA -0.668 55.617 56.287 -0.004 0.000 0.919 1205 K CB 0.607 33.100 32.500 -0.011 0.000 1.045 1205 K HN 0.081 nan 8.250 nan 0.000 0.471 1206 D N 2.189 122.568 120.400 -0.035 0.000 2.339 1206 D HA 0.257 4.899 4.640 0.003 0.000 0.241 1206 D C -0.482 175.786 176.300 -0.053 0.000 1.183 1206 D CA 0.156 54.129 54.000 -0.046 0.000 0.859 1206 D CB 0.492 41.263 40.800 -0.049 0.000 1.067 1206 D HN 0.224 nan 8.370 nan 0.000 0.484 1207 L N 1.741 122.928 121.223 -0.060 0.000 2.614 1207 L HA 0.200 4.542 4.340 0.003 0.000 0.264 1207 L C -0.683 176.134 176.870 -0.089 0.000 0.940 1207 L CA -0.503 54.291 54.840 -0.077 0.000 0.903 1207 L CB 2.461 44.472 42.059 -0.080 0.000 1.306 1207 L HN 0.144 nan 8.230 nan 0.000 0.410 1208 T N 3.028 117.517 114.554 -0.109 0.000 2.794 1208 T HA 0.270 4.622 4.350 0.003 0.000 0.280 1208 T C 1.234 175.810 174.700 -0.206 0.000 0.987 1208 T CA -0.662 61.363 62.100 -0.126 0.000 0.993 1208 T CB 2.010 70.817 68.868 -0.102 0.000 0.939 1208 T HN 0.462 nan 8.240 nan 0.000 0.449 1209 M N 2.318 121.778 119.600 -0.233 0.000 2.116 1209 M HA -0.144 4.337 4.480 0.003 0.000 0.255 1209 M C 2.473 178.324 176.300 -0.749 0.000 1.075 1209 M CA 1.923 56.980 55.300 -0.405 0.000 1.087 1209 M CB -1.375 31.034 32.600 -0.319 0.000 1.340 1209 M HN 0.915 nan 8.290 nan 0.000 0.402 1210 G N -0.665 107.806 108.800 -0.548 0.000 2.440 1210 G HA2 -0.244 3.718 3.960 0.003 0.000 0.218 1210 G HA3 -0.244 3.718 3.960 0.003 0.000 0.218 1210 G C 1.448 176.075 174.900 -0.456 0.000 1.154 1210 G CA 0.636 45.428 45.100 -0.514 0.000 0.767 1210 G HN 0.563 nan 8.290 nan 0.000 0.552 1211 Q N -0.170 119.448 119.800 -0.304 0.000 2.016 1211 Q HA -0.043 4.299 4.340 0.003 0.000 0.200 1211 Q C 2.906 178.754 176.000 -0.253 0.000 0.978 1211 Q CA 1.367 57.043 55.803 -0.211 0.000 0.833 1211 Q CB -0.359 28.293 28.738 -0.142 0.000 0.895 1211 Q HN 0.376 nan 8.270 nan 0.000 0.427 1212 V N 1.103 120.837 119.914 -0.300 0.000 2.231 1212 V HA -0.306 3.816 4.120 0.003 0.000 0.250 1212 V C 2.317 178.235 176.094 -0.293 0.000 1.058 1212 V CA 2.194 64.338 62.300 -0.260 0.000 1.022 1212 V CB -1.604 30.063 31.823 -0.260 0.000 0.640 1212 V HN 0.572 nan 8.190 nan 0.000 0.445 1213 G N -0.666 107.780 108.800 -0.590 0.000 2.491 1213 G HA2 -0.274 3.688 3.960 0.003 0.000 0.218 1213 G HA3 -0.274 3.688 3.960 0.003 0.000 0.218 1213 G C 1.509 176.313 174.900 -0.160 0.000 1.180 1213 G CA 0.951 45.700 45.100 -0.585 0.000 0.774 1213 G HN 0.493 nan 8.290 nan 0.000 0.562 1214 E N 0.153 120.238 120.200 -0.192 0.000 2.085 1214 E HA -0.135 4.217 4.350 0.003 0.000 0.194 1214 E C 2.667 179.273 176.600 0.010 0.000 0.994 1214 E CA 0.874 57.282 56.400 0.015 0.000 0.801 1214 E CB -0.196 29.508 29.700 0.006 0.000 0.743 1214 E HN 0.193 nan 8.360 nan 0.000 0.453 1215 R N 0.857 121.331 120.500 -0.044 0.000 2.115 1215 R HA -0.018 4.324 4.340 0.003 0.000 0.230 1215 R C 2.255 178.548 176.300 -0.012 0.000 1.111 1215 R CA 0.762 56.842 56.100 -0.034 0.000 0.976 1215 R CB -0.588 29.677 30.300 -0.058 0.000 0.870 1215 R HN 0.193 nan 8.270 nan 0.000 0.445 1216 I N -0.163 120.422 120.570 0.024 0.000 2.252 1216 I HA -0.208 3.964 4.170 0.003 0.000 0.245 1216 I C 2.267 178.512 176.117 0.212 0.000 1.102 1216 I CA 1.254 62.626 61.300 0.119 0.000 1.385 1216 I CB -0.248 37.853 38.000 0.169 0.000 1.064 1216 I HN 0.085 nan 8.210 nan 0.000 0.414 1217 K N 0.680 121.184 120.400 0.173 0.000 2.097 1217 K HA -0.180 4.142 4.320 0.003 0.000 0.205 1217 K C 2.185 178.865 176.600 0.133 0.000 1.050 1217 K CA 1.278 57.673 56.287 0.179 0.000 0.938 1217 K CB 0.013 32.605 32.500 0.155 0.000 0.718 1217 K HN 0.294 nan 8.250 nan 0.000 0.442 1218 Q N -0.640 119.204 119.800 0.073 0.000 2.364 1218 Q HA -0.100 4.242 4.340 0.003 0.000 0.207 1218 Q C 1.577 177.568 176.000 -0.014 0.000 0.970 1218 Q CA 1.682 57.503 55.803 0.030 0.000 0.888 1218 Q CB 0.265 29.009 28.738 0.010 0.000 0.951 1218 Q HN 0.489 nan 8.270 nan 0.000 0.469 1219 T N -1.800 112.711 114.554 -0.071 0.000 2.818 1219 T HA 0.002 4.354 4.350 0.003 0.000 0.246 1219 T C 1.478 176.050 174.700 -0.212 0.000 1.036 1219 T CA 0.464 62.432 62.100 -0.219 0.000 1.160 1219 T CB -0.678 67.930 68.868 -0.433 0.000 0.869 1219 T HN 0.118 nan 8.240 nan 0.000 0.419 1220 F N 1.856 121.821 119.950 0.024 0.000 2.146 1220 F HA 0.163 4.692 4.527 0.003 0.000 0.298 1220 F C 2.195 178.014 175.800 0.032 0.000 1.096 1220 F CA 1.083 59.100 58.000 0.028 0.000 1.275 1220 F CB -0.349 38.671 39.000 0.033 0.000 1.008 1220 F HN 0.203 nan 8.300 nan 0.000 0.480 1221 K N -0.946 119.580 120.400 0.209 0.000 10.705 1221 K HA -0.331 3.991 4.320 0.003 0.000 0.511 1221 K C 0.088 176.770 176.600 0.137 0.000 0.517 1221 K CA 1.746 58.112 56.287 0.133 0.000 1.893 1221 K CB -1.508 31.046 32.500 0.091 0.000 0.752 1221 K HN 0.285 nan 8.250 nan 0.000 1.183 1222 N N 0.247 119.024 118.700 0.129 0.000 2.351 1222 N HA 0.178 4.920 4.740 0.003 0.000 0.254 1222 N C -1.011 174.559 175.510 0.100 0.000 1.241 1222 N CA -0.004 53.110 53.050 0.106 0.000 0.883 1222 N CB 0.932 39.468 38.487 0.080 0.000 1.202 1222 N HN 0.198 nan 8.380 nan 0.000 0.512 1223 D N 0.279 120.752 120.400 0.120 0.000 2.395 1223 D HA 0.195 4.837 4.640 0.003 0.000 0.213 1223 D C -0.837 175.451 176.300 -0.020 0.000 1.110 1223 D CA 0.233 54.273 54.000 0.067 0.000 0.835 1223 D CB 0.844 41.707 40.800 0.106 0.000 0.965 1223 D HN 0.068 nan 8.370 nan 0.000 0.505 1224 L N 0.872 122.109 121.223 0.023 0.000 2.676 1224 L HA 0.298 4.640 4.340 0.003 0.000 0.262 1224 L C -1.494 175.422 176.870 0.077 0.000 0.965 1224 L CA -0.825 54.001 54.840 -0.022 0.000 0.920 1224 L CB 1.137 43.071 42.059 -0.207 0.000 1.260 1224 L HN -0.213 nan 8.230 nan 0.000 0.422 1225 F N 5.667 125.592 119.950 -0.042 0.000 2.471 1225 F HA 0.645 5.174 4.527 0.003 0.000 0.353 1225 F C -0.434 175.328 175.800 -0.062 0.000 1.113 1225 F CA 0.155 58.120 58.000 -0.059 0.000 1.262 1225 F CB 0.776 39.732 39.000 -0.075 0.000 1.146 1225 F HN 0.193 nan 8.300 nan 0.000 0.578 1226 V N 7.349 126.706 119.914 -0.928 0.000 2.668 1226 V HA 0.435 4.557 4.120 0.003 0.000 0.304 1226 V C -0.118 175.422 176.094 -0.923 0.000 1.071 1226 V CA -0.878 61.068 62.300 -0.591 0.000 0.894 1226 V CB 1.293 33.051 31.823 -0.108 0.000 1.008 1226 V HN 0.711 nan 8.190 nan 0.000 0.425 1227 I N 2.744 122.953 120.570 -0.602 0.000 3.449 1227 I HA 0.883 5.055 4.170 0.003 0.000 0.294 1227 I C -0.502 175.515 176.117 -0.167 0.000 1.163 1227 I CA -0.655 60.282 61.300 -0.604 0.000 1.010 1227 I CB 2.099 39.917 38.000 -0.304 0.000 1.307 1227 I HN 0.881 nan 8.210 nan 0.000 0.518 1228 W N -0.791 120.516 121.300 0.012 0.000 2.946 1228 W HA 0.563 5.225 4.660 0.003 0.000 0.364 1228 W C -0.973 175.547 176.519 0.001 0.000 1.134 1228 W CA -0.744 56.598 57.345 -0.005 0.000 1.140 1228 W CB -0.580 28.871 29.460 -0.015 0.000 1.463 1228 W HN 0.330 nan 8.180 nan 0.000 0.564 1229 S N 0.341 116.245 115.700 0.340 0.000 2.136 1229 S HA 0.371 4.843 4.470 0.003 0.000 0.205 1229 S C -0.468 174.281 174.600 0.248 0.000 1.346 1229 S CA -0.164 58.149 58.200 0.190 0.000 1.084 1229 S CB -0.092 63.174 63.200 0.110 0.000 0.767 1229 S HN 0.506 nan 8.310 nan 0.000 0.423 1230 E N 0.033 120.316 120.200 0.138 0.000 2.416 1230 E HA 0.241 4.593 4.350 0.003 0.000 0.273 1230 E C -0.401 176.227 176.600 0.047 0.000 0.935 1230 E CA -0.572 55.895 56.400 0.111 0.000 0.784 1230 E CB 1.335 31.073 29.700 0.065 0.000 1.301 1230 E HN 0.394 nan 8.360 nan 0.000 0.454 1231 D N 0.435 120.845 120.400 0.017 0.000 2.311 1231 D HA -0.105 4.537 4.640 0.003 0.000 0.212 1231 D C 0.708 177.005 176.300 -0.006 0.000 0.972 1231 D CA 0.926 54.919 54.000 -0.011 0.000 0.887 1231 D CB 0.222 41.005 40.800 -0.028 0.000 0.915 1231 D HN 0.326 nan 8.370 nan 0.000 0.497 1232 N N 0.733 119.434 118.700 0.002 0.000 2.373 1232 N HA -0.035 4.706 4.740 0.003 0.000 0.181 1232 N C -0.066 175.445 175.510 0.002 0.000 1.082 1232 N CA 0.042 53.092 53.050 -0.000 0.000 0.885 1232 N CB 0.446 38.932 38.487 -0.001 0.000 0.977 1232 N HN 0.110 nan 8.380 nan 0.000 0.462 1233 D N 1.083 121.488 120.400 0.009 0.000 2.382 1233 D HA 0.009 4.651 4.640 0.003 0.000 0.240 1233 D C 1.098 177.401 176.300 0.006 0.000 1.146 1233 D CA 0.182 54.188 54.000 0.010 0.000 0.897 1233 D CB 1.236 42.048 40.800 0.020 0.000 1.197 1233 D HN 0.044 nan 8.370 nan 0.000 0.432 1234 E N 0.615 120.818 120.200 0.004 0.000 2.107 1234 E HA -0.080 4.272 4.350 0.003 0.000 0.191 1234 E C 0.049 176.651 176.600 0.003 0.000 0.982 1234 E CA 0.832 57.234 56.400 0.002 0.000 0.809 1234 E CB 0.322 30.024 29.700 0.002 0.000 0.756 1234 E HN 0.168 nan 8.360 nan 0.000 0.459 1235 K N 0.613 121.016 120.400 0.005 0.000 2.450 1235 K HA 0.309 4.631 4.320 0.003 0.000 0.257 1235 K C -1.288 175.318 176.600 0.010 0.000 0.953 1235 K CA -0.414 55.876 56.287 0.004 0.000 0.844 1235 K CB 0.993 33.494 32.500 0.002 0.000 1.103 1235 K HN -0.006 nan 8.250 nan 0.000 0.429 1236 L N 6.006 127.234 121.223 0.007 0.000 2.281 1236 L HA 0.432 4.774 4.340 0.003 0.000 0.285 1236 L C -0.327 176.555 176.870 0.019 0.000 1.074 1236 L CA -0.333 54.515 54.840 0.014 0.000 0.817 1236 L CB 0.516 42.571 42.059 -0.005 0.000 1.168 1236 L HN 0.547 nan 8.230 nan 0.000 0.434 1237 I N 3.919 124.517 120.570 0.046 0.000 2.802 1237 I HA 0.418 4.590 4.170 0.003 0.000 0.298 1237 I C -0.746 175.433 176.117 0.102 0.000 1.176 1237 I CA -0.186 61.140 61.300 0.044 0.000 1.025 1237 I CB 2.897 40.903 38.000 0.011 0.000 1.243 1237 I HN 0.397 nan 8.210 nan 0.000 0.424 1238 I N 5.511 126.132 120.570 0.085 0.000 2.411 1238 I HA 0.435 4.607 4.170 0.003 0.000 0.284 1238 I C -0.483 175.679 176.117 0.075 0.000 1.012 1238 I CA -0.725 60.657 61.300 0.136 0.000 1.119 1238 I CB 0.988 39.057 38.000 0.115 0.000 1.261 1238 I HN 0.314 nan 8.210 nan 0.000 0.448 1239 R N 5.166 125.700 120.500 0.058 0.000 2.312 1239 R HA 0.640 4.982 4.340 0.003 0.000 0.311 1239 R C -1.208 175.097 176.300 0.009 0.000 1.004 1239 R CA -0.483 55.629 56.100 0.020 0.000 0.902 1239 R CB 1.573 31.876 30.300 0.006 0.000 1.073 1239 R HN 0.709 nan 8.270 nan 0.000 0.457 1240 C N 2.078 121.398 119.300 0.032 0.000 2.887 1240 C HA 0.449 4.911 4.460 0.003 0.000 0.379 1240 C C -0.106 174.914 174.990 0.050 0.000 1.064 1240 C CA -1.312 57.720 59.018 0.023 0.000 1.282 1240 C CB 0.690 28.429 27.740 -0.003 0.000 1.749 1240 C HN 0.735 nan 8.230 nan 0.000 0.489 1241 R N 1.524 122.084 120.500 0.100 0.000 2.474 1241 R HA 0.727 5.069 4.340 0.003 0.000 0.295 1241 R C -0.110 176.233 176.300 0.072 0.000 0.980 1241 R CA -0.590 55.572 56.100 0.104 0.000 0.934 1241 R CB 1.504 31.872 30.300 0.114 0.000 1.101 1241 R HN 0.621 nan 8.270 nan 0.000 0.469 1242 V N 2.493 122.439 119.914 0.053 0.000 3.032 1242 V HA 0.027 4.149 4.120 0.003 0.000 0.307 1242 V C 0.742 176.860 176.094 0.039 0.000 1.097 1242 V CA -0.039 62.274 62.300 0.023 0.000 1.191 1242 V CB 0.539 32.387 31.823 0.041 0.000 0.964 1242 V HN 0.443 nan 8.190 nan 0.000 0.494 1255 E N 1.555 121.797 120.200 0.069 0.000 4.090 1255 E HA 0.253 4.605 4.350 0.003 0.000 0.235 1255 E C 0.179 176.829 176.600 0.084 0.000 1.187 1255 E CA 0.027 56.464 56.400 0.061 0.000 1.308 1255 E CB 0.302 30.028 29.700 0.044 0.000 1.222 1255 E HN 0.762 nan 8.360 nan 0.000 0.414 1256 E N -0.142 120.119 120.200 0.101 0.000 4.367 1256 E HA 0.175 4.527 4.350 0.003 0.000 0.345 1256 E C -0.045 176.516 176.600 -0.067 0.000 1.312 1256 E CA 0.062 56.504 56.400 0.070 0.000 2.005 1256 E CB 0.344 30.164 29.700 0.201 0.000 1.642 1256 E HN 0.129 nan 8.360 nan 0.000 0.783 1257 D N -1.673 118.467 120.400 -0.433 0.000 2.531 1257 D HA -0.265 4.377 4.640 0.003 0.000 0.176 1257 D C 0.885 176.988 176.300 -0.327 0.000 1.217 1257 D CA 2.263 55.818 54.000 -0.742 0.000 1.125 1257 D CB -0.792 39.730 40.800 -0.464 0.000 1.148 1257 D HN 0.464 nan 8.370 nan 0.000 0.430 1258 H N -1.406 117.520 119.070 -0.241 0.000 2.501 1258 H HA 0.407 4.964 4.556 0.003 0.000 0.281 1258 H C 1.831 177.102 175.328 -0.095 0.000 0.988 1258 H CA 0.949 56.912 56.048 -0.142 0.000 1.232 1258 H CB -0.059 29.648 29.762 -0.091 0.000 1.455 1258 H HN 0.148 nan 8.280 nan 0.000 0.501 1259 M N 0.046 119.606 119.600 -0.066 0.000 2.117 1259 M HA -0.052 4.430 4.480 0.003 0.000 0.262 1259 M C 0.149 176.384 176.300 -0.109 0.000 1.065 1259 M CA 1.021 56.270 55.300 -0.085 0.000 1.114 1259 M CB 0.126 32.722 32.600 -0.006 0.000 1.361 1259 M HN 0.228 nan 8.290 nan 0.000 0.408 1260 L N 1.950 123.110 121.223 -0.105 0.000 2.388 1260 L HA 0.024 4.365 4.340 0.003 0.000 0.252 1260 L C 0.690 177.479 176.870 -0.134 0.000 1.357 1260 L CA 0.949 55.729 54.840 -0.099 0.000 1.214 1260 L CB -0.694 41.329 42.059 -0.059 0.000 1.392 1260 L HN 0.376 nan 8.230 nan 0.000 0.432 1261 K N -0.117 120.201 120.400 -0.136 0.000 1.480 1261 K HA -0.030 4.292 4.320 0.003 0.000 0.089 1261 K C 1.276 177.790 176.600 -0.143 0.000 2.329 1261 K CA 0.124 56.327 56.287 -0.140 0.000 1.050 1261 K CB -0.105 32.282 32.500 -0.188 0.000 2.578 1261 K HN 0.272 nan 8.250 nan 0.000 0.366 1262 K N 0.893 121.182 120.400 -0.185 0.000 2.418 1262 K HA 0.123 4.445 4.320 0.003 0.000 0.195 1262 K C 1.688 178.269 176.600 -0.031 0.000 1.035 1262 K CA 0.745 56.956 56.287 -0.126 0.000 1.003 1262 K CB 0.237 32.643 32.500 -0.157 0.000 0.793 1262 K HN 0.160 nan 8.250 nan 0.000 0.494 1263 I N 1.567 122.122 120.570 -0.025 0.000 2.339 1263 I HA -0.205 3.967 4.170 0.003 0.000 0.245 1263 I C 2.202 178.371 176.117 0.087 0.000 1.096 1263 I CA 1.126 62.451 61.300 0.043 0.000 1.408 1263 I CB 0.187 38.147 38.000 -0.067 0.000 1.092 1263 I HN 0.133 nan 8.210 nan 0.000 0.423 1264 E N -0.012 120.204 120.200 0.027 0.000 2.333 1264 E HA -0.233 4.119 4.350 0.003 0.000 0.198 1264 E C 1.638 178.259 176.600 0.036 0.000 1.007 1264 E CA 1.474 57.897 56.400 0.038 0.000 0.845 1264 E CB -0.375 29.331 29.700 0.010 0.000 0.766 1264 E HN 0.470 nan 8.360 nan 0.000 0.507 1265 N N 0.188 118.901 118.700 0.022 0.000 2.080 1265 N HA -0.087 4.655 4.740 0.003 0.000 0.189 1265 N C 1.543 177.076 175.510 0.038 0.000 1.036 1265 N CA 2.249 55.310 53.050 0.019 0.000 0.846 1265 N CB -0.390 38.097 38.487 0.001 0.000 1.015 1265 N HN 0.203 nan 8.380 nan 0.000 0.423 1266 T N 0.401 114.993 114.554 0.064 0.000 2.759 1266 T HA -0.163 4.189 4.350 0.003 0.000 0.269 1266 T C 1.911 176.652 174.700 0.069 0.000 1.042 1266 T CA 1.076 63.217 62.100 0.068 0.000 1.140 1266 T CB -0.189 68.750 68.868 0.118 0.000 0.864 1266 T HN 0.217 nan 8.240 nan 0.000 0.455 1267 M N 0.088 119.767 119.600 0.131 0.000 2.156 1267 M HA 0.104 4.586 4.480 0.003 0.000 0.264 1267 M C 1.869 178.204 176.300 0.058 0.000 1.067 1267 M CA 1.412 56.798 55.300 0.143 0.000 1.131 1267 M CB -0.088 32.642 32.600 0.215 0.000 1.368 1267 M HN 0.187 nan 8.290 nan 0.000 0.416 1268 L N -1.009 120.238 121.223 0.039 0.000 2.127 1268 L HA -0.052 4.290 4.340 0.003 0.000 0.203 1268 L C 0.661 177.531 176.870 -0.001 0.000 1.080 1268 L CA 0.928 55.775 54.840 0.012 0.000 0.768 1268 L CB -0.180 41.884 42.059 0.009 0.000 0.924 1268 L HN 0.202 nan 8.230 nan 0.000 0.444 1269 E N -0.020 120.184 120.200 0.008 0.000 2.947 1269 E HA 0.147 4.499 4.350 0.003 0.000 0.229 1269 E C -0.172 176.435 176.600 0.013 0.000 1.158 1269 E CA -0.113 56.293 56.400 0.010 0.000 1.441 1269 E CB 0.388 30.095 29.700 0.012 0.000 1.414 1269 E HN 0.217 nan 8.360 nan 0.000 0.432 1270 N N -0.095 118.606 118.700 0.003 0.000 2.050 1270 N HA 0.042 4.784 4.740 0.003 0.000 0.293 1270 N C -0.583 174.910 175.510 -0.028 0.000 1.155 1270 N CA -0.030 53.015 53.050 -0.008 0.000 0.731 1270 N CB 0.702 39.173 38.487 -0.026 0.000 1.741 1270 N HN 0.109 nan 8.380 nan 0.000 0.662 1271 I N 2.459 123.004 120.570 -0.041 0.000 2.347 1271 I HA 0.131 4.303 4.170 0.003 0.000 0.294 1271 I C 0.360 176.452 176.117 -0.042 0.000 1.090 1271 I CA 0.416 61.679 61.300 -0.062 0.000 1.314 1271 I CB 0.457 38.416 38.000 -0.069 0.000 1.423 1271 I HN -0.091 nan 8.210 nan 0.000 0.503 1272 T N 6.958 121.499 114.554 -0.022 0.000 2.898 1272 T HA 0.288 4.640 4.350 0.003 0.000 0.301 1272 T C 1.262 175.939 174.700 -0.038 0.000 1.049 1272 T CA -0.089 62.011 62.100 -0.001 0.000 1.095 1272 T CB 1.066 69.964 68.868 0.050 0.000 0.976 1272 T HN 0.455 nan 8.240 nan 0.000 0.539 1273 L N 0.923 122.116 121.223 -0.051 0.000 2.694 1273 L HA 0.361 4.702 4.340 0.003 0.000 0.228 1273 L C 0.718 177.561 176.870 -0.045 0.000 1.048 1273 L CA -0.009 54.796 54.840 -0.059 0.000 0.887 1273 L CB 0.419 42.429 42.059 -0.081 0.000 1.265 1273 L HN 0.624 nan 8.230 nan 0.000 0.492 1274 R N -0.883 119.600 120.500 -0.029 0.000 2.604 1274 R HA 0.575 4.917 4.340 0.003 0.000 0.261 1274 R C -0.471 175.839 176.300 0.018 0.000 1.080 1274 R CA -0.116 55.975 56.100 -0.014 0.000 0.917 1274 R CB 1.133 31.415 30.300 -0.029 0.000 1.252 1274 R HN 0.029 nan 8.270 nan 0.000 0.456 1275 G N 0.561 109.375 108.800 0.024 0.000 2.627 1275 G HA2 -0.096 3.866 3.960 0.003 0.000 0.214 1275 G HA3 -0.096 3.866 3.960 0.003 0.000 0.214 1275 G C -1.400 173.536 174.900 0.059 0.000 1.331 1275 G CA -0.400 44.725 45.100 0.042 0.000 0.891 1275 G HN 0.649 nan 8.290 nan 0.000 0.539 1276 V N 1.670 121.611 119.914 0.045 0.000 2.417 1276 V HA 0.507 4.629 4.120 0.003 0.000 0.291 1276 V C 0.784 176.816 176.094 -0.103 0.000 1.024 1276 V CA 0.026 62.318 62.300 -0.013 0.000 0.861 1276 V CB 1.197 33.002 31.823 -0.030 0.000 0.985 1276 V HN 1.092 nan 8.190 nan 0.000 0.436 1277 E N 5.027 125.065 120.200 -0.271 0.000 2.492 1277 E HA 0.010 4.362 4.350 0.003 0.000 0.266 1277 E C 0.492 176.826 176.600 -0.443 0.000 1.047 1277 E CA 0.297 56.253 56.400 -0.739 0.000 0.968 1277 E CB 0.062 29.470 29.700 -0.487 0.000 0.960 1277 E HN 0.671 nan 8.360 nan 0.000 0.452 1278 N N -0.740 117.686 118.700 -0.457 0.000 2.886 1278 N HA -0.215 4.527 4.740 0.003 0.000 0.204 1278 N C -0.377 175.086 175.510 -0.080 0.000 0.998 1278 N CA 1.422 54.365 53.050 -0.177 0.000 1.114 1278 N CB -1.174 37.237 38.487 -0.128 0.000 0.964 1278 N HN 0.472 nan 8.380 nan 0.000 0.581 1279 I N 3.011 123.541 120.570 -0.066 0.000 2.311 1279 I HA 0.067 4.239 4.170 0.003 0.000 0.297 1279 I C 1.106 177.277 176.117 0.090 0.000 1.131 1279 I CA 0.389 61.698 61.300 0.015 0.000 1.289 1279 I CB 0.425 38.435 38.000 0.017 0.000 1.446 1279 I HN 0.048 nan 8.210 nan 0.000 0.524 1280 E N 4.687 124.930 120.200 0.071 0.000 3.473 1280 E HA 0.184 4.536 4.350 0.003 0.000 0.309 1280 E C 0.310 176.950 176.600 0.068 0.000 1.502 1280 E CA -0.331 56.114 56.400 0.075 0.000 1.525 1280 E CB 0.332 30.059 29.700 0.045 0.000 1.183 1280 E HN 0.461 nan 8.360 nan 0.000 0.757 1281 R N -0.618 119.907 120.500 0.042 0.000 2.644 1281 R HA 0.169 4.511 4.340 0.003 0.000 0.265 1281 R C -0.621 175.758 176.300 0.133 0.000 0.985 1281 R CA -0.046 56.091 56.100 0.062 0.000 1.097 1281 R CB -0.154 30.109 30.300 -0.062 0.000 0.931 1281 R HN 0.146 nan 8.270 nan 0.000 0.419 1282 V N 3.297 123.372 119.914 0.269 0.000 2.711 1282 V HA 0.574 4.696 4.120 0.003 0.000 0.304 1282 V C -0.983 175.170 176.094 0.098 0.000 1.097 1282 V CA -0.616 61.771 62.300 0.145 0.000 0.906 1282 V CB 2.212 34.073 31.823 0.062 0.000 1.015 1282 V HN 0.812 nan 8.190 nan 0.000 0.427 1283 V N 4.755 124.717 119.914 0.080 0.000 2.630 1283 V HA 0.727 4.849 4.120 0.003 0.000 0.305 1283 V C -0.068 176.039 176.094 0.021 0.000 1.046 1283 V CA -0.939 61.385 62.300 0.040 0.000 0.934 1283 V CB 1.579 33.467 31.823 0.109 0.000 1.003 1283 V HN 1.057 nan 8.190 nan 0.000 0.451 1284 M N 3.554 123.159 119.600 0.009 0.000 2.111 1284 M HA 0.624 5.106 4.480 0.003 0.000 0.351 1284 M C -0.575 175.910 176.300 0.308 0.000 1.214 1284 M CA -0.015 55.340 55.300 0.091 0.000 1.120 1284 M CB 0.713 33.294 32.600 -0.031 0.000 1.443 1284 M HN 0.464 nan 8.290 nan 0.000 0.429 1285 M N 2.169 121.944 119.600 0.291 0.000 2.277 1285 M HA 0.321 4.803 4.480 0.003 0.000 0.350 1285 M C 0.085 176.585 176.300 0.334 0.000 1.180 1285 M CA -0.167 55.341 55.300 0.348 0.000 1.103 1285 M CB 1.587 34.400 32.600 0.354 0.000 1.577 1285 M HN 0.731 nan 8.290 nan 0.000 0.459 1286 K N 3.367 123.823 120.400 0.095 0.000 2.307 1286 K HA 0.197 4.519 4.320 0.003 0.000 0.240 1286 K C -1.051 175.526 176.600 -0.039 0.000 1.214 1286 K CA -0.093 55.975 56.287 -0.365 0.000 1.149 1286 K CB -0.182 31.811 32.500 -0.845 0.000 1.668 1286 K HN 0.504 nan 8.250 nan 0.000 0.314 1287 Y N 1.315 121.555 120.300 -0.101 0.000 2.702 1287 Y HA -0.145 4.407 4.550 0.003 0.000 0.336 1287 Y C 0.675 176.536 175.900 -0.065 0.000 1.235 1287 Y CA -0.255 57.831 58.100 -0.022 0.000 1.492 1287 Y CB 0.584 39.098 38.460 0.091 0.000 1.308 1287 Y HN 0.510 nan 8.280 nan 0.000 0.589 1288 D N 2.358 122.774 120.400 0.025 0.000 2.329 1288 D HA 0.349 4.991 4.640 0.003 0.000 0.246 1288 D C -0.437 175.885 176.300 0.037 0.000 1.111 1288 D CA -0.334 53.663 54.000 -0.004 0.000 0.941 1288 D CB 0.733 41.510 40.800 -0.039 0.000 1.169 1288 D HN 0.367 nan 8.370 nan 0.000 0.441 1289 R N 1.284 121.797 120.500 0.021 0.000 2.569 1289 R HA 0.164 4.506 4.340 0.003 0.000 0.293 1289 R C -1.217 175.104 176.300 0.036 0.000 1.186 1289 R CA -0.735 55.383 56.100 0.030 0.000 0.956 1289 R CB 0.766 31.082 30.300 0.026 0.000 1.196 1289 R HN 0.298 nan 8.270 nan 0.000 0.444 1290 K N 3.499 123.932 120.400 0.054 0.000 2.383 1290 K HA 0.269 4.591 4.320 0.003 0.000 0.286 1290 K C -1.241 175.476 176.600 0.195 0.000 1.051 1290 K CA -0.031 56.321 56.287 0.109 0.000 0.974 1290 K CB 0.978 33.527 32.500 0.081 0.000 0.968 1290 K HN 0.292 nan 8.250 nan 0.000 0.475 1291 V N 6.792 126.811 119.914 0.175 0.000 2.891 1291 V HA 0.247 4.369 4.120 0.003 0.000 0.304 1291 V C -2.479 173.494 176.094 -0.202 0.000 1.171 1291 V CA -2.058 60.257 62.300 0.025 0.000 0.943 1291 V CB 2.339 34.154 31.823 -0.013 0.000 1.037 1291 V HN 0.772 nan 8.190 nan 0.000 0.427 1292 P HA 0.069 nan 4.420 nan 0.000 0.262 1292 P C -0.452 176.694 177.300 -0.258 0.000 1.182 1292 P CA 0.737 63.511 63.100 -0.542 0.000 0.761 1292 P CB 0.476 31.886 31.700 -0.484 0.000 0.795 1293 S N 4.734 120.312 115.700 -0.203 0.000 2.632 1293 S HA 0.369 4.840 4.470 0.003 0.000 0.271 1293 S C -1.112 173.422 174.600 -0.111 0.000 1.260 1293 S CA -1.792 56.338 58.200 -0.116 0.000 1.010 1293 S CB 0.004 63.160 63.200 -0.073 0.000 0.965 1293 S HN 0.269 nan 8.310 nan 0.000 0.534 1294 P HA -0.151 nan 4.420 nan 0.000 0.213 1294 P C 1.712 178.979 177.300 -0.055 0.000 1.170 1294 P CA 2.143 65.204 63.100 -0.065 0.000 0.898 1294 P CB -0.942 30.730 31.700 -0.045 0.000 0.787 1295 T N -2.384 112.148 114.554 -0.037 0.000 2.684 1295 T HA -0.175 4.177 4.350 0.003 0.000 0.267 1295 T C 1.590 176.280 174.700 -0.016 0.000 1.032 1295 T CA 3.382 65.471 62.100 -0.017 0.000 1.155 1295 T CB -0.886 67.978 68.868 -0.007 0.000 0.857 1295 T HN 0.416 nan 8.240 nan 0.000 0.457 1296 G N 0.053 108.828 108.800 -0.042 0.000 3.514 1296 G HA2 -0.071 3.891 3.960 0.003 0.000 0.197 1296 G HA3 -0.071 3.891 3.960 0.003 0.000 0.197 1296 G C -0.366 174.505 174.900 -0.048 0.000 1.098 1296 G CA -0.017 45.054 45.100 -0.048 0.000 0.884 1296 G HN 0.651 nan 8.290 nan 0.000 0.433 1297 E N 1.142 121.342 120.200 -0.001 0.000 2.465 1297 E HA 0.398 4.750 4.350 0.003 0.000 0.260 1297 E C -0.540 176.074 176.600 0.022 0.000 0.980 1297 E CA -0.162 56.269 56.400 0.051 0.000 0.927 1297 E CB 0.269 29.998 29.700 0.049 0.000 0.934 1297 E HN 0.422 nan 8.360 nan 0.000 0.459 1298 Y N 1.803 122.104 120.300 0.002 0.000 2.544 1298 Y HA 0.191 4.743 4.550 0.003 0.000 0.330 1298 Y C 0.486 176.382 175.900 -0.007 0.000 1.136 1298 Y CA -0.178 57.920 58.100 -0.004 0.000 1.417 1298 Y CB 0.367 38.827 38.460 -0.001 0.000 1.229 1298 Y HN 0.269 nan 8.280 nan 0.000 0.532 1299 V N 0.860 120.830 119.914 0.094 0.000 2.925 1299 V HA 0.519 4.641 4.120 0.003 0.000 0.311 1299 V C -0.865 175.254 176.094 0.042 0.000 1.104 1299 V CA -1.963 60.369 62.300 0.053 0.000 0.954 1299 V CB 1.935 33.767 31.823 0.016 0.000 1.022 1299 V HN 0.537 nan 8.190 nan 0.000 0.427 1300 K N 2.719 123.135 120.400 0.028 0.000 2.349 1300 K HA 0.416 4.737 4.320 0.003 0.000 0.288 1300 K C -0.140 176.459 176.600 -0.001 0.000 1.058 1300 K CA 0.067 56.362 56.287 0.014 0.000 0.953 1300 K CB 0.615 33.115 32.500 0.001 0.000 0.997 1300 K HN 0.997 nan 8.250 nan 0.000 0.477 1301 E N 3.905 124.102 120.200 -0.005 0.000 2.218 1301 E HA 0.369 4.721 4.350 0.003 0.000 0.263 1301 E C -2.796 173.787 176.600 -0.030 0.000 0.879 1301 E CA -2.498 53.892 56.400 -0.016 0.000 0.762 1301 E CB 1.508 31.201 29.700 -0.012 0.000 1.166 1301 E HN 0.145 nan 8.360 nan 0.000 0.415 1302 P HA 0.173 nan 4.420 nan 0.000 0.282 1302 P C -1.273 175.951 177.300 -0.127 0.000 1.249 1302 P CA -0.416 62.618 63.100 -0.109 0.000 0.806 1302 P CB 0.772 32.366 31.700 -0.176 0.000 0.984 1303 E N 0.498 120.623 120.200 -0.125 0.000 2.314 1303 E HA 0.398 4.750 4.350 0.003 0.000 0.272 1303 E C -1.439 175.100 176.600 -0.102 0.000 0.884 1303 E CA -0.935 55.427 56.400 -0.064 0.000 0.753 1303 E CB 0.910 30.644 29.700 0.056 0.000 1.213 1303 E HN 0.268 nan 8.360 nan 0.000 0.432 1304 W N 2.358 123.710 121.300 0.086 0.000 2.303 1304 W HA 0.376 5.037 4.660 0.003 0.000 0.318 1304 W C -0.480 176.052 176.519 0.021 0.000 1.362 1304 W CA -0.334 57.045 57.345 0.057 0.000 1.234 1304 W CB 1.061 30.541 29.460 0.035 0.000 1.248 1304 W HN 0.258 nan 8.180 nan 0.000 0.546 1305 V N 5.346 125.379 119.914 0.199 0.000 2.715 1305 V HA 0.426 4.548 4.120 0.003 0.000 0.310 1305 V C -0.093 175.962 176.094 -0.065 0.000 1.054 1305 V CA -1.232 61.012 62.300 -0.093 0.000 0.928 1305 V CB 1.799 33.214 31.823 -0.681 0.000 1.007 1305 V HN 0.250 nan 8.190 nan 0.000 0.437 1306 L N 3.953 125.096 121.223 -0.133 0.000 2.265 1306 L HA 0.531 4.873 4.340 0.003 0.000 0.289 1306 L C 0.043 176.821 176.870 -0.153 0.000 1.033 1306 L CA -0.234 54.548 54.840 -0.097 0.000 0.814 1306 L CB 0.956 42.972 42.059 -0.072 0.000 1.203 1306 L HN 0.603 nan 8.230 nan 0.000 0.423 1307 E N 2.252 122.402 120.200 -0.083 0.000 2.151 1307 E HA 0.332 4.683 4.350 0.003 0.000 0.275 1307 E C -0.576 176.023 176.600 -0.001 0.000 0.936 1307 E CA -0.326 56.047 56.400 -0.046 0.000 0.777 1307 E CB 2.574 32.294 29.700 0.033 0.000 1.108 1307 E HN 0.425 nan 8.360 nan 0.000 0.401 1308 T N 1.104 115.653 114.554 -0.008 0.000 2.937 1308 T HA 0.212 4.564 4.350 0.003 0.000 0.283 1308 T C -0.646 174.068 174.700 0.024 0.000 1.012 1308 T CA -0.480 61.626 62.100 0.010 0.000 0.997 1308 T CB 0.801 69.664 68.868 -0.008 0.000 1.136 1308 T HN 0.262 nan 8.240 nan 0.000 0.551 1309 D N 0.302 120.719 120.400 0.029 0.000 2.963 1309 D HA 0.542 5.184 4.640 0.003 0.000 0.361 1309 D C -0.377 175.933 176.300 0.016 0.000 1.317 1309 D CA 0.112 54.128 54.000 0.026 0.000 0.832 1309 D CB 0.298 41.118 40.800 0.033 0.000 1.135 1309 D HN 0.756 nan 8.370 nan 0.000 0.476 1310 G N -0.771 108.031 108.800 0.003 0.000 2.433 1310 G HA2 0.298 4.260 3.960 0.003 0.000 0.306 1310 G HA3 0.298 4.260 3.960 0.003 0.000 0.306 1310 G C -1.545 173.339 174.900 -0.027 0.000 1.627 1310 G CA -0.561 44.533 45.100 -0.009 0.000 0.893 1310 G HN -0.009 nan 8.290 nan 0.000 0.648 1311 V N 3.334 123.225 119.914 -0.038 0.000 2.328 1311 V HA 0.566 4.688 4.120 0.003 0.000 0.278 1311 V C -0.047 176.014 176.094 -0.056 0.000 1.021 1311 V CA -0.771 61.499 62.300 -0.050 0.000 0.838 1311 V CB 1.280 33.069 31.823 -0.057 0.000 0.999 1311 V HN 0.715 nan 8.190 nan 0.000 0.447 1312 N N 4.435 123.103 118.700 -0.053 0.000 2.454 1312 N HA 0.297 5.039 4.740 0.003 0.000 0.291 1312 N C -0.291 175.195 175.510 -0.041 0.000 1.079 1312 N CA -0.488 52.531 53.050 -0.052 0.000 0.893 1312 N CB 2.415 40.865 38.487 -0.061 0.000 1.512 1312 N HN 0.527 nan 8.380 nan 0.000 0.497 1313 L N 3.417 124.619 121.223 -0.035 0.000 2.781 1313 L HA 0.348 4.690 4.340 0.003 0.000 0.245 1313 L C 1.493 178.355 176.870 -0.012 0.000 1.118 1313 L CA 0.792 55.618 54.840 -0.022 0.000 0.918 1313 L CB -0.003 42.043 42.059 -0.022 0.000 1.246 1313 L HN 0.504 nan 8.230 nan 0.000 0.526 1314 S N -0.105 115.585 115.700 -0.018 0.000 2.440 1314 S HA -0.091 4.381 4.470 0.003 0.000 0.238 1314 S C 1.359 175.953 174.600 -0.010 0.000 1.010 1314 S CA 1.620 59.813 58.200 -0.012 0.000 0.972 1314 S CB -0.159 63.031 63.200 -0.018 0.000 0.774 1314 S HN 0.584 nan 8.310 nan 0.000 0.501 1315 E N -0.496 119.695 120.200 -0.015 0.000 2.536 1315 E HA 0.141 4.493 4.350 0.003 0.000 0.220 1315 E C 1.250 177.844 176.600 -0.011 0.000 0.876 1315 E CA 0.183 56.574 56.400 -0.014 0.000 1.190 1315 E CB 0.574 30.260 29.700 -0.024 0.000 1.191 1315 E HN 0.296 nan 8.360 nan 0.000 0.557 1316 V N 2.130 122.038 119.914 -0.010 0.000 2.725 1316 V HA -0.144 3.977 4.120 0.003 0.000 0.247 1316 V C 2.485 178.581 176.094 0.004 0.000 1.058 1316 V CA 1.358 63.654 62.300 -0.007 0.000 1.080 1316 V CB -0.481 31.334 31.823 -0.014 0.000 0.713 1316 V HN 0.317 nan 8.190 nan 0.000 0.465 1317 M N 1.202 120.808 119.600 0.011 0.000 2.288 1317 M HA -0.052 4.430 4.480 0.003 0.000 0.266 1317 M C 1.992 178.305 176.300 0.021 0.000 1.072 1317 M CA 2.035 57.349 55.300 0.024 0.000 1.132 1317 M CB -1.312 31.307 32.600 0.033 0.000 1.386 1317 M HN 0.344 nan 8.290 nan 0.000 0.432 1318 T N -0.850 113.712 114.554 0.013 0.000 3.163 1318 T HA 0.181 4.533 4.350 0.003 0.000 0.260 1318 T C 0.682 175.387 174.700 0.009 0.000 1.156 1318 T CA -0.112 61.994 62.100 0.011 0.000 1.072 1318 T CB -1.000 67.871 68.868 0.006 0.000 0.937 1318 T HN 0.228 nan 8.240 nan 0.000 0.528 1319 V N 3.913 123.832 119.914 0.009 0.000 2.637 1319 V HA 0.283 4.405 4.120 0.003 0.000 0.296 1319 V C -1.977 174.124 176.094 0.012 0.000 1.046 1319 V CA -1.740 60.563 62.300 0.006 0.000 1.066 1319 V CB 0.807 32.632 31.823 0.002 0.000 0.968 1319 V HN 0.339 nan 8.190 nan 0.000 0.483 1320 P HA 0.521 nan 4.420 nan 0.000 0.286 1320 P C 0.680 177.987 177.300 0.012 0.000 1.261 1320 P CA 0.373 63.482 63.100 0.014 0.000 0.821 1320 P CB 1.446 33.152 31.700 0.010 0.000 1.013 1321 G N 1.273 110.089 108.800 0.027 0.000 2.307 1321 G HA2 -0.148 3.814 3.960 0.003 0.000 0.210 1321 G HA3 -0.148 3.814 3.960 0.003 0.000 0.210 1321 G C -0.067 174.868 174.900 0.058 0.000 1.005 1321 G CA 0.148 45.264 45.100 0.028 0.000 0.634 1321 G HN 0.723 nan 8.290 nan 0.000 0.496 1322 I N 0.617 121.219 120.570 0.054 0.000 2.530 1322 I HA 0.742 4.914 4.170 0.003 0.000 0.297 1322 I C -1.054 175.111 176.117 0.080 0.000 1.011 1322 I CA -1.070 60.273 61.300 0.071 0.000 1.107 1322 I CB 1.635 39.666 38.000 0.053 0.000 1.285 1322 I HN 0.019 nan 8.210 nan 0.000 0.436 1323 D N 8.375 128.837 120.400 0.104 0.000 2.349 1323 D HA 0.261 4.903 4.640 0.003 0.000 0.266 1323 D C -1.897 174.464 176.300 0.102 0.000 1.293 1323 D CA -1.220 52.839 54.000 0.097 0.000 0.926 1323 D CB 0.833 41.696 40.800 0.105 0.000 1.090 1323 D HN 0.383 nan 8.370 nan 0.000 0.502 1324 P HA 0.103 nan 4.420 nan 0.000 0.258 1324 P C 0.462 177.805 177.300 0.071 0.000 1.416 1324 P CA 0.008 63.151 63.100 0.072 0.000 0.927 1324 P CB 0.702 32.432 31.700 0.051 0.000 1.444 1325 T N -1.008 113.588 114.554 0.071 0.000 3.054 1325 T HA 0.230 4.582 4.350 0.003 0.000 0.255 1325 T C 1.309 176.054 174.700 0.075 0.000 1.035 1325 T CA 0.321 62.454 62.100 0.056 0.000 0.941 1325 T CB 0.042 68.925 68.868 0.025 0.000 1.026 1325 T HN 0.030 nan 8.240 nan 0.000 0.533 1326 R N -0.093 120.486 120.500 0.132 0.000 2.492 1326 R HA 0.393 4.735 4.340 0.003 0.000 0.219 1326 R C 0.796 177.359 176.300 0.437 0.000 0.886 1326 R CA -0.353 55.871 56.100 0.207 0.000 1.003 1326 R CB 0.162 30.488 30.300 0.044 0.000 1.345 1326 R HN 0.318 nan 8.270 nan 0.000 0.631 1327 I N 2.454 123.233 120.570 0.349 0.000 3.184 1327 I HA -0.258 3.914 4.170 0.003 0.000 0.333 1327 I C -0.954 175.328 176.117 0.276 0.000 1.214 1327 I CA 0.978 62.419 61.300 0.235 0.000 1.465 1327 I CB 0.135 38.206 38.000 0.118 0.000 1.308 1327 I HN 0.069 nan 8.210 nan 0.000 0.525 1328 Y N 6.864 127.196 120.300 0.053 0.000 2.457 1328 Y HA 0.484 5.036 4.550 0.003 0.000 0.343 1328 Y C -0.586 175.340 175.900 0.043 0.000 0.994 1328 Y CA -0.669 57.483 58.100 0.088 0.000 1.031 1328 Y CB 1.637 40.203 38.460 0.175 0.000 1.246 1328 Y HN 0.627 nan 8.280 nan 0.000 0.449 1329 T N 3.515 117.679 114.554 -0.650 0.000 2.925 1329 T HA 0.189 4.540 4.350 0.003 0.000 0.285 1329 T C 0.537 174.775 174.700 -0.769 0.000 1.021 1329 T CA -0.925 60.858 62.100 -0.529 0.000 1.042 1329 T CB 1.022 69.735 68.868 -0.257 0.000 1.037 1329 T HN 0.674 nan 8.240 nan 0.000 0.481 1330 N N -0.283 118.229 118.700 -0.312 0.000 2.449 1330 N HA -0.015 4.726 4.740 0.003 0.000 0.191 1330 N C 0.222 175.734 175.510 0.003 0.000 1.161 1330 N CA -0.176 52.814 53.050 -0.100 0.000 0.863 1330 N CB 0.132 38.644 38.487 0.041 0.000 0.980 1330 N HN 0.385 nan 8.380 nan 0.000 0.458 1331 S N 0.674 116.323 115.700 -0.086 0.000 2.409 1331 S HA 0.227 4.699 4.470 0.003 0.000 0.308 1331 S C 0.249 174.818 174.600 -0.052 0.000 1.080 1331 S CA -0.943 57.206 58.200 -0.084 0.000 1.081 1331 S CB -0.704 62.428 63.200 -0.114 0.000 1.009 1331 S HN 0.364 nan 8.310 nan 0.000 0.502 1332 F N 4.259 124.191 119.950 -0.030 0.000 2.765 1332 F HA 0.393 4.922 4.527 0.003 0.000 0.302 1332 F C 1.149 176.960 175.800 0.018 0.000 1.111 1332 F CA -0.199 57.806 58.000 0.009 0.000 1.359 1332 F CB -0.050 38.981 39.000 0.051 0.000 1.097 1332 F HN 0.487 nan 8.300 nan 0.000 0.577 1333 I N 1.428 121.680 120.570 -0.530 0.000 2.494 1333 I HA -0.089 4.083 4.170 0.003 0.000 0.250 1333 I C 1.197 177.230 176.117 -0.140 0.000 1.112 1333 I CA 1.271 62.369 61.300 -0.337 0.000 1.438 1333 I CB -0.500 37.255 38.000 -0.408 0.000 1.111 1333 I HN 0.072 nan 8.210 nan 0.000 0.431 1334 D N 1.060 121.383 120.400 -0.128 0.000 2.097 1334 D HA -0.153 4.489 4.640 0.003 0.000 0.195 1334 D C 2.281 178.565 176.300 -0.027 0.000 0.989 1334 D CA 1.267 55.225 54.000 -0.070 0.000 0.827 1334 D CB -0.076 40.679 40.800 -0.074 0.000 0.966 1334 D HN 0.288 nan 8.370 nan 0.000 0.456 1335 I N 0.590 121.156 120.570 -0.007 0.000 2.335 1335 I HA -0.252 3.920 4.170 0.003 0.000 0.251 1335 I C 2.287 178.441 176.117 0.060 0.000 1.129 1335 I CA 0.801 62.126 61.300 0.042 0.000 1.402 1335 I CB -0.232 37.819 38.000 0.084 0.000 1.069 1335 I HN 0.185 nan 8.210 nan 0.000 0.424 1336 M N 0.652 120.286 119.600 0.058 0.000 2.175 1336 M HA -0.198 4.284 4.480 0.003 0.000 0.264 1336 M C 1.907 178.229 176.300 0.037 0.000 1.063 1336 M CA 1.842 57.180 55.300 0.063 0.000 1.119 1336 M CB -0.236 32.408 32.600 0.073 0.000 1.377 1336 M HN 0.214 nan 8.290 nan 0.000 0.415 1337 E N -0.630 119.579 120.200 0.014 0.000 2.268 1337 E HA -0.117 4.235 4.350 0.003 0.000 0.195 1337 E C 1.878 178.485 176.600 0.012 0.000 0.995 1337 E CA 0.989 57.393 56.400 0.007 0.000 0.836 1337 E CB 0.166 29.860 29.700 -0.010 0.000 0.763 1337 E HN 0.408 nan 8.360 nan 0.000 0.491 1338 V N 0.614 120.539 119.914 0.018 0.000 2.502 1338 V HA -0.079 4.043 4.120 0.003 0.000 0.234 1338 V C 1.922 178.035 176.094 0.031 0.000 1.072 1338 V CA 0.807 63.120 62.300 0.021 0.000 1.094 1338 V CB -0.172 31.663 31.823 0.020 0.000 0.761 1338 V HN 0.158 nan 8.190 nan 0.000 0.489 1339 L N 0.324 121.574 121.223 0.044 0.000 2.567 1339 L HA 0.524 4.866 4.340 0.003 0.000 0.225 1339 L C 0.919 177.819 176.870 0.050 0.000 1.119 1339 L CA 0.713 55.583 54.840 0.050 0.000 0.871 1339 L CB -0.388 41.711 42.059 0.067 0.000 1.036 1339 L HN 0.581 nan 8.230 nan 0.000 0.459 1340 G N 0.003 108.833 108.800 0.050 0.000 2.617 1340 G HA2 -0.184 3.778 3.960 0.003 0.000 0.686 1340 G HA3 -0.184 3.778 3.960 0.003 0.000 0.686 1340 G C 0.082 175.018 174.900 0.060 0.000 1.214 1340 G CA -0.391 44.738 45.100 0.049 0.000 0.796 1340 G HN -0.113 nan 8.290 nan 0.000 0.654 1341 I N 0.515 121.119 120.570 0.057 0.000 2.181 1341 I HA -0.162 4.010 4.170 0.003 0.000 0.247 1341 I C 2.409 178.570 176.117 0.073 0.000 1.081 1341 I CA 2.730 64.069 61.300 0.065 0.000 1.340 1341 I CB 0.040 38.074 38.000 0.057 0.000 1.036 1341 I HN 0.667 nan 8.210 nan 0.000 0.417 1342 E N -0.063 120.175 120.200 0.064 0.000 2.208 1342 E HA -0.042 4.310 4.350 0.003 0.000 0.193 1342 E C 2.197 178.840 176.600 0.071 0.000 0.988 1342 E CA 1.004 57.442 56.400 0.062 0.000 0.828 1342 E CB -0.161 29.569 29.700 0.049 0.000 0.763 1342 E HN 0.603 nan 8.360 nan 0.000 0.478 1343 A N 0.688 123.556 122.820 0.081 0.000 1.968 1343 A HA 0.018 4.340 4.320 0.003 0.000 0.217 1343 A C 2.378 180.044 177.584 0.136 0.000 1.169 1343 A CA 1.449 53.547 52.037 0.102 0.000 0.638 1343 A CB -0.744 18.317 19.000 0.102 0.000 0.812 1343 A HN 0.305 nan 8.150 nan 0.000 0.446 1344 G N -0.362 108.519 108.800 0.135 0.000 2.480 1344 G HA2 -0.291 3.671 3.960 0.003 0.000 0.216 1344 G HA3 -0.291 3.671 3.960 0.003 0.000 0.216 1344 G C 1.687 176.686 174.900 0.165 0.000 1.200 1344 G CA 0.959 46.165 45.100 0.176 0.000 0.782 1344 G HN 0.481 nan 8.290 nan 0.000 0.554 1345 R N 0.568 121.140 120.500 0.121 0.000 2.178 1345 R HA -0.224 4.118 4.340 0.003 0.000 0.257 1345 R C 2.701 179.069 176.300 0.113 0.000 1.163 1345 R CA 1.808 57.965 56.100 0.095 0.000 0.981 1345 R CB -0.353 29.987 30.300 0.066 0.000 0.878 1345 R HN 0.387 nan 8.270 nan 0.000 0.454 1346 A N -0.023 122.873 122.820 0.128 0.000 1.850 1346 A HA 0.078 4.400 4.320 0.003 0.000 0.212 1346 A C 2.296 180.014 177.584 0.223 0.000 1.208 1346 A CA 1.117 53.243 52.037 0.148 0.000 0.609 1346 A CB -0.762 18.302 19.000 0.106 0.000 0.860 1346 A HN 0.436 nan 8.150 nan 0.000 0.448 1347 A N -0.546 122.434 122.820 0.267 0.000 1.986 1347 A HA -0.122 4.200 4.320 0.003 0.000 0.220 1347 A C 2.110 179.825 177.584 0.217 0.000 1.171 1347 A CA 1.895 54.158 52.037 0.376 0.000 0.640 1347 A CB -0.593 18.660 19.000 0.421 0.000 0.811 1347 A HN 0.666 nan 8.150 nan 0.000 0.451 1348 L N -2.009 119.267 121.223 0.088 0.000 2.109 1348 L HA -0.040 4.302 4.340 0.003 0.000 0.207 1348 L C 2.190 179.002 176.870 -0.097 0.000 1.086 1348 L CA 2.064 56.773 54.840 -0.218 0.000 0.760 1348 L CB -0.777 41.166 42.059 -0.193 0.000 0.910 1348 L HN 0.531 nan 8.230 nan 0.000 0.437 1349 Y N 0.141 120.416 120.300 -0.042 0.000 2.084 1349 Y HA -0.229 4.323 4.550 0.003 0.000 0.279 1349 Y C 2.695 178.642 175.900 0.078 0.000 1.119 1349 Y CA 2.028 60.132 58.100 0.007 0.000 1.101 1349 Y CB -0.290 38.185 38.460 0.026 0.000 0.989 1349 Y HN 0.021 nan 8.280 nan 0.000 0.484 1350 K N 0.418 121.040 120.400 0.369 0.000 2.097 1350 K HA -0.327 3.995 4.320 0.003 0.000 0.214 1350 K C 1.864 178.586 176.600 0.203 0.000 1.052 1350 K CA 2.357 58.814 56.287 0.284 0.000 0.932 1350 K CB -0.332 32.302 32.500 0.224 0.000 0.716 1350 K HN 0.403 nan 8.250 nan 0.000 0.455 1351 E N 0.001 120.287 120.200 0.143 0.000 2.001 1351 E HA -0.109 4.243 4.350 0.003 0.000 0.195 1351 E C 2.076 178.657 176.600 -0.033 0.000 1.002 1351 E CA 1.247 57.688 56.400 0.069 0.000 0.819 1351 E CB -0.511 29.180 29.700 -0.015 0.000 0.769 1351 E HN 0.040 nan 8.360 nan 0.000 0.454 1352 V N 0.675 120.501 119.914 -0.146 0.000 2.236 1352 V HA -0.361 3.761 4.120 0.003 0.000 0.255 1352 V C 2.174 178.167 176.094 -0.168 0.000 1.068 1352 V CA 2.479 64.672 62.300 -0.178 0.000 1.044 1352 V CB -0.776 30.911 31.823 -0.227 0.000 0.653 1352 V HN 0.429 nan 8.190 nan 0.000 0.448 1353 Y N 1.118 121.170 120.300 -0.414 0.000 2.081 1353 Y HA -0.312 4.240 4.550 0.003 0.000 0.280 1353 Y C 2.605 178.432 175.900 -0.121 0.000 1.163 1353 Y CA 2.421 60.313 58.100 -0.348 0.000 1.135 1353 Y CB -0.473 37.690 38.460 -0.496 0.000 0.970 1353 Y HN 0.256 nan 8.280 nan 0.000 0.498 1354 N N 0.087 118.843 118.700 0.093 0.000 2.453 1354 N HA -0.167 4.575 4.740 0.003 0.000 0.183 1354 N C 1.901 177.388 175.510 -0.039 0.000 1.041 1354 N CA 1.064 54.150 53.050 0.060 0.000 0.900 1354 N CB -0.145 38.451 38.487 0.182 0.000 0.961 1354 N HN 0.431 nan 8.380 nan 0.000 0.443 1355 V N 1.213 121.093 119.914 -0.056 0.000 2.283 1355 V HA -0.145 3.977 4.120 0.003 0.000 0.243 1355 V C 2.143 178.175 176.094 -0.105 0.000 1.039 1355 V CA 1.040 63.306 62.300 -0.058 0.000 1.016 1355 V CB -0.252 31.545 31.823 -0.044 0.000 0.650 1355 V HN 0.105 nan 8.190 nan 0.000 0.449 1356 I N 1.163 121.635 120.570 -0.163 0.000 2.226 1356 I HA -0.152 4.020 4.170 0.003 0.000 0.245 1356 I C 2.661 178.651 176.117 -0.212 0.000 1.100 1356 I CA 2.027 63.219 61.300 -0.180 0.000 1.374 1356 I CB -1.935 35.941 38.000 -0.206 0.000 1.057 1356 I HN 0.430 nan 8.210 nan 0.000 0.413 1357 A N 0.688 123.302 122.820 -0.343 0.000 2.167 1357 A HA -0.055 4.267 4.320 0.003 0.000 0.214 1357 A C 2.334 179.824 177.584 -0.155 0.000 1.151 1357 A CA 1.166 53.001 52.037 -0.337 0.000 0.735 1357 A CB -0.508 18.086 19.000 -0.677 0.000 0.802 1357 A HN 0.542 nan 8.150 nan 0.000 0.467 1358 S N -0.525 115.110 115.700 -0.108 0.000 2.489 1358 S HA -0.053 4.419 4.470 0.003 0.000 0.228 1358 S C 0.765 175.341 174.600 -0.039 0.000 0.995 1358 S CA 1.125 59.295 58.200 -0.050 0.000 0.934 1358 S CB -0.291 62.895 63.200 -0.023 0.000 0.771 1358 S HN 0.475 nan 8.310 nan 0.000 0.522 1359 D N 0.849 121.217 120.400 -0.053 0.000 2.350 1359 D HA 0.371 5.013 4.640 0.003 0.000 0.213 1359 D C 1.553 177.834 176.300 -0.030 0.000 1.031 1359 D CA 0.902 54.880 54.000 -0.036 0.000 0.861 1359 D CB 0.227 41.004 40.800 -0.038 0.000 0.926 1359 D HN 0.514 nan 8.370 nan 0.000 0.520 1360 G N 0.079 108.854 108.800 -0.041 0.000 2.358 1360 G HA2 -0.304 3.658 3.960 0.003 0.000 0.224 1360 G HA3 -0.304 3.658 3.960 0.003 0.000 0.224 1360 G C 0.615 175.508 174.900 -0.011 0.000 1.073 1360 G CA 0.044 45.130 45.100 -0.025 0.000 0.635 1360 G HN 0.285 nan 8.290 nan 0.000 0.509 1361 S N 1.092 116.781 115.700 -0.018 0.000 2.784 1361 S HA 0.240 4.712 4.470 0.003 0.000 0.322 1361 S C -0.197 174.422 174.600 0.032 0.000 1.234 1361 S CA 0.538 58.734 58.200 -0.006 0.000 1.064 1361 S CB 0.278 63.452 63.200 -0.043 0.000 0.787 1361 S HN 0.942 nan 8.310 nan 0.000 0.506 1362 Y N 5.007 125.279 120.300 -0.046 0.000 2.342 1362 Y HA 0.524 5.076 4.550 0.003 0.000 0.338 1362 Y C -0.665 175.258 175.900 0.037 0.000 0.965 1362 Y CA -1.227 56.865 58.100 -0.014 0.000 1.159 1362 Y CB 0.453 38.926 38.460 0.022 0.000 1.157 1362 Y HN 0.357 nan 8.280 nan 0.000 0.486 1363 V N 6.429 126.173 119.914 -0.283 0.000 2.472 1363 V HA 0.193 4.315 4.120 0.003 0.000 0.290 1363 V C -0.093 175.705 176.094 -0.493 0.000 1.037 1363 V CA -1.088 61.005 62.300 -0.344 0.000 0.908 1363 V CB 1.381 33.157 31.823 -0.078 0.000 0.985 1363 V HN 0.833 nan 8.190 nan 0.000 0.454 1364 N N 2.664 121.103 118.700 -0.435 0.000 2.431 1364 N HA 0.010 4.752 4.740 0.003 0.000 0.265 1364 N C 0.929 176.484 175.510 0.076 0.000 1.184 1364 N CA -0.099 52.855 53.050 -0.159 0.000 0.943 1364 N CB 0.110 38.547 38.487 -0.082 0.000 1.080 1364 N HN 0.695 nan 8.380 nan 0.000 0.477 1365 Y N 4.776 125.197 120.300 0.202 0.000 2.185 1365 Y HA -0.488 4.064 4.550 0.003 0.000 0.268 1365 Y C 2.077 177.982 175.900 0.008 0.000 1.281 1365 Y CA 2.686 60.917 58.100 0.217 0.000 1.101 1365 Y CB -0.185 38.381 38.460 0.177 0.000 0.914 1365 Y HN 0.755 nan 8.280 nan 0.000 0.517 1366 R N -1.155 119.274 120.500 -0.119 0.000 2.211 1366 R HA -0.210 4.132 4.340 0.003 0.000 0.240 1366 R C 1.547 177.619 176.300 -0.378 0.000 1.144 1366 R CA 1.760 57.623 56.100 -0.395 0.000 0.992 1366 R CB -0.979 28.998 30.300 -0.538 0.000 0.869 1366 R HN 0.505 nan 8.270 nan 0.000 0.462 1367 H N 1.166 120.194 119.070 -0.070 0.000 2.306 1367 H HA 0.107 4.665 4.556 0.003 0.000 0.307 1367 H C 2.243 177.521 175.328 -0.083 0.000 1.061 1367 H CA 1.590 57.610 56.048 -0.048 0.000 1.359 1367 H CB -0.429 29.314 29.762 -0.032 0.000 1.407 1367 H HN 0.167 nan 8.280 nan 0.000 0.517 1368 M N 0.721 120.353 119.600 0.053 0.000 2.159 1368 M HA -0.075 4.407 4.480 0.003 0.000 0.263 1368 M C 2.629 178.911 176.300 -0.030 0.000 1.063 1368 M CA 1.509 56.810 55.300 0.002 0.000 1.110 1368 M CB -0.252 32.340 32.600 -0.013 0.000 1.374 1368 M HN 0.238 nan 8.290 nan 0.000 0.411 1369 A N -0.043 122.665 122.820 -0.187 0.000 2.076 1369 A HA -0.135 4.187 4.320 0.003 0.000 0.220 1369 A C 2.115 179.572 177.584 -0.211 0.000 1.160 1369 A CA 1.362 53.176 52.037 -0.372 0.000 0.653 1369 A CB -0.676 17.735 19.000 -0.983 0.000 0.801 1369 A HN 0.452 nan 8.150 nan 0.000 0.455 1370 L N -1.110 120.030 121.223 -0.138 0.000 2.071 1370 L HA 0.016 4.358 4.340 0.003 0.000 0.201 1370 L C 2.253 179.086 176.870 -0.061 0.000 1.076 1370 L CA 1.555 56.354 54.840 -0.069 0.000 0.755 1370 L CB -0.500 41.566 42.059 0.011 0.000 0.915 1370 L HN 0.366 nan 8.230 nan 0.000 0.445 1371 L N -0.713 120.477 121.223 -0.057 0.000 1.976 1371 L HA -0.240 4.102 4.340 0.003 0.000 0.223 1371 L C 2.428 179.258 176.870 -0.067 0.000 1.081 1371 L CA 2.331 57.125 54.840 -0.077 0.000 0.784 1371 L CB -1.285 40.725 42.059 -0.081 0.000 0.896 1371 L HN 0.150 nan 8.230 nan 0.000 0.438 1372 V N -0.088 119.796 119.914 -0.050 0.000 2.453 1372 V HA -0.321 3.801 4.120 0.003 0.000 0.252 1372 V C 2.302 178.384 176.094 -0.021 0.000 1.068 1372 V CA 2.262 64.545 62.300 -0.027 0.000 1.070 1372 V CB -0.623 31.217 31.823 0.027 0.000 0.664 1372 V HN 0.623 nan 8.190 nan 0.000 0.461 1373 D N -0.669 119.707 120.400 -0.040 0.000 2.091 1373 D HA -0.106 4.536 4.640 0.003 0.000 0.199 1373 D C 2.144 178.426 176.300 -0.030 0.000 0.980 1373 D CA 1.542 55.520 54.000 -0.036 0.000 0.831 1373 D CB -0.346 40.418 40.800 -0.059 0.000 0.987 1373 D HN 0.329 nan 8.370 nan 0.000 0.460 1374 V N 1.121 121.009 119.914 -0.044 0.000 2.453 1374 V HA -0.285 3.837 4.120 0.003 0.000 0.252 1374 V C 2.483 178.568 176.094 -0.016 0.000 1.068 1374 V CA 1.361 63.636 62.300 -0.042 0.000 1.070 1374 V CB -0.439 31.340 31.823 -0.074 0.000 0.664 1374 V HN 0.264 nan 8.190 nan 0.000 0.461 1375 M N -0.888 118.706 119.600 -0.011 0.000 2.086 1375 M HA -0.184 4.298 4.480 0.003 0.000 0.261 1375 M C 2.313 178.641 176.300 0.046 0.000 1.067 1375 M CA 2.229 57.545 55.300 0.026 0.000 1.116 1375 M CB -0.786 31.832 32.600 0.029 0.000 1.348 1375 M HN 0.286 nan 8.290 nan 0.000 0.407 1376 T N 0.227 114.803 114.554 0.037 0.000 2.942 1376 T HA -0.065 4.287 4.350 0.003 0.000 0.265 1376 T C 1.776 176.499 174.700 0.038 0.000 1.062 1376 T CA 1.791 63.920 62.100 0.048 0.000 1.139 1376 T CB -0.258 68.638 68.868 0.046 0.000 0.883 1376 T HN 0.540 nan 8.240 nan 0.000 0.468 1377 T N 0.780 115.345 114.554 0.019 0.000 2.833 1377 T HA -0.088 4.264 4.350 0.003 0.000 0.269 1377 T C 1.899 176.611 174.700 0.021 0.000 1.054 1377 T CA 0.862 62.968 62.100 0.010 0.000 1.135 1377 T CB -0.283 68.573 68.868 -0.019 0.000 0.869 1377 T HN 0.331 nan 8.240 nan 0.000 0.466 1378 Q N 0.734 120.551 119.800 0.028 0.000 2.167 1378 Q HA 0.099 4.441 4.340 0.003 0.000 0.202 1378 Q C 2.038 178.061 176.000 0.037 0.000 0.970 1378 Q CA 1.395 57.217 55.803 0.033 0.000 0.855 1378 Q CB -0.052 28.710 28.738 0.039 0.000 0.911 1378 Q HN 0.792 nan 8.270 nan 0.000 0.438 1379 G N -2.072 106.753 108.800 0.042 0.000 3.859 1379 G HA2 -0.054 3.908 3.960 0.003 0.000 0.198 1379 G HA3 -0.054 3.908 3.960 0.003 0.000 0.198 1379 G C 0.331 175.260 174.900 0.048 0.000 0.972 1379 G CA 0.028 45.154 45.100 0.043 0.000 0.882 1379 G HN 0.498 nan 8.290 nan 0.000 0.364 1380 G N -0.178 108.653 108.800 0.053 0.000 3.387 1380 G HA2 0.579 4.541 3.960 0.003 0.000 0.194 1380 G HA3 0.579 4.541 3.960 0.003 0.000 0.194 1380 G C -0.758 174.189 174.900 0.078 0.000 1.417 1380 G CA -0.456 44.679 45.100 0.059 0.000 0.777 1380 G HN 0.541 nan 8.290 nan 0.000 0.721 1381 L N 2.193 123.468 121.223 0.087 0.000 2.324 1381 L HA 0.375 4.717 4.340 0.003 0.000 0.274 1381 L C -0.607 176.328 176.870 0.109 0.000 1.012 1381 L CA -0.527 54.385 54.840 0.120 0.000 0.859 1381 L CB 1.559 43.718 42.059 0.165 0.000 1.224 1381 L HN 0.226 nan 8.230 nan 0.000 0.429 1382 T N 0.770 115.385 114.554 0.101 0.000 2.737 1382 T HA 0.186 4.538 4.350 0.003 0.000 0.296 1382 T C 0.653 175.431 174.700 0.130 0.000 0.922 1382 T CA -0.435 61.728 62.100 0.106 0.000 1.079 1382 T CB 0.861 69.785 68.868 0.093 0.000 0.892 1382 T HN 0.668 nan 8.240 nan 0.000 0.514 1383 S N 2.090 117.879 115.700 0.149 0.000 2.593 1383 S HA 0.150 4.622 4.470 0.003 0.000 0.269 1383 S C 0.818 175.549 174.600 0.217 0.000 1.334 1383 S CA -0.948 57.352 58.200 0.167 0.000 1.015 1383 S CB 0.531 63.832 63.200 0.168 0.000 0.912 1383 S HN 0.447 nan 8.310 nan 0.000 0.541 1384 V N 2.380 122.391 119.914 0.161 0.000 3.273 1384 V HA 0.215 4.337 4.120 0.003 0.000 0.379 1384 V C 0.323 176.610 176.094 0.321 0.000 1.256 1384 V CA 0.098 62.471 62.300 0.122 0.000 1.455 1384 V CB -2.221 29.572 31.823 -0.049 0.000 1.247 1384 V HN 0.999 nan 8.190 nan 0.000 0.469 1385 T N -1.769 113.020 114.554 0.391 0.000 2.841 1385 T HA 0.389 4.741 4.350 0.003 0.000 0.296 1385 T C 1.037 175.696 174.700 -0.068 0.000 1.166 1385 T CA -1.006 61.238 62.100 0.240 0.000 1.007 1385 T CB 1.839 70.793 68.868 0.144 0.000 1.253 1385 T HN 0.202 nan 8.240 nan 0.000 0.511 1386 R N 0.266 120.691 120.500 -0.126 0.000 2.165 1386 R HA -0.241 4.101 4.340 0.003 0.000 0.254 1386 R C 1.688 177.771 176.300 -0.363 0.000 1.153 1386 R CA 2.056 57.975 56.100 -0.301 0.000 0.971 1386 R CB -0.825 29.262 30.300 -0.354 0.000 0.878 1386 R HN 0.600 nan 8.270 nan 0.000 0.449 1387 H N -0.282 118.758 119.070 -0.049 0.000 2.482 1387 H HA 0.141 4.699 4.556 0.003 0.000 0.286 1387 H C 1.960 177.266 175.328 -0.037 0.000 1.017 1387 H CA 0.961 56.987 56.048 -0.035 0.000 1.322 1387 H CB -0.391 29.375 29.762 0.006 0.000 1.426 1387 H HN 0.405 nan 8.280 nan 0.000 0.546 1388 G N 1.240 110.083 108.800 0.071 0.000 2.830 1388 G HA2 -0.087 3.875 3.960 0.003 0.000 0.172 1388 G HA3 -0.087 3.875 3.960 0.003 0.000 0.172 1388 G C 1.373 176.276 174.900 0.006 0.000 1.782 1388 G CA 0.471 45.626 45.100 0.092 0.000 0.900 1388 G HN 0.362 nan 8.290 nan 0.000 0.389 1389 F N 0.782 120.697 119.950 -0.058 0.000 2.202 1389 F HA 0.003 4.532 4.527 0.003 0.000 0.301 1389 F C 1.747 177.485 175.800 -0.103 0.000 1.082 1389 F CA 1.311 59.255 58.000 -0.094 0.000 1.313 1389 F CB -0.577 38.331 39.000 -0.155 0.000 1.024 1389 F HN 0.177 nan 8.300 nan 0.000 0.495 1390 N N 0.646 118.684 118.700 -1.102 0.000 2.485 1390 N HA -0.021 4.721 4.740 0.003 0.000 0.199 1390 N C 1.200 176.534 175.510 -0.293 0.000 1.236 1390 N CA 0.354 52.950 53.050 -0.756 0.000 0.852 1390 N CB -0.235 37.729 38.487 -0.871 0.000 1.018 1390 N HN 0.655 nan 8.380 nan 0.000 0.457 1391 R N -2.002 118.385 120.500 -0.188 0.000 2.555 1391 R HA 0.191 4.533 4.340 0.003 0.000 0.312 1391 R C -0.410 175.860 176.300 -0.050 0.000 0.938 1391 R CA -0.031 56.014 56.100 -0.092 0.000 1.112 1391 R CB -0.538 29.729 30.300 -0.055 0.000 1.535 1391 R HN 0.053 nan 8.270 nan 0.000 0.525 1392 S N 2.246 117.923 115.700 -0.038 0.000 3.900 1392 S HA 0.075 4.546 4.470 0.003 0.000 0.248 1392 S C -0.164 174.434 174.600 -0.004 0.000 1.310 1392 S CA -0.057 58.141 58.200 -0.004 0.000 0.915 1392 S CB -0.910 62.303 63.200 0.021 0.000 1.588 1392 S HN 0.636 nan 8.310 nan 0.000 0.472 1393 N N -0.297 118.395 118.700 -0.013 0.000 2.653 1393 N HA -0.266 4.476 4.740 0.003 0.000 0.248 1393 N C -0.057 175.447 175.510 -0.010 0.000 1.154 1393 N CA 1.732 54.775 53.050 -0.012 0.000 0.780 1393 N CB -2.702 35.784 38.487 -0.002 0.000 1.155 1393 N HN 0.611 nan 8.380 nan 0.000 0.570 1394 T N -1.166 113.382 114.554 -0.011 0.000 2.652 1394 T HA 0.487 4.839 4.350 0.003 0.000 0.319 1394 T C 1.394 176.086 174.700 -0.012 0.000 1.029 1394 T CA -0.123 61.975 62.100 -0.004 0.000 0.990 1394 T CB 0.094 68.963 68.868 0.002 0.000 1.098 1394 T HN 0.535 nan 8.240 nan 0.000 0.520 1395 G N -0.872 107.928 108.800 0.000 0.000 2.630 1395 G HA2 0.363 4.325 3.960 0.003 0.000 0.236 1395 G HA3 0.363 4.325 3.960 0.003 0.000 0.236 1395 G C 1.036 175.920 174.900 -0.027 0.000 1.248 1395 G CA -0.182 44.920 45.100 0.004 0.000 0.844 1395 G HN 0.856 nan 8.290 nan 0.000 0.588 1396 A N 1.293 124.083 122.820 -0.050 0.000 1.855 1396 A HA 0.086 4.407 4.320 0.003 0.000 0.213 1396 A C 2.445 179.955 177.584 -0.122 0.000 1.195 1396 A CA 0.896 52.831 52.037 -0.170 0.000 0.610 1396 A CB -0.477 18.271 19.000 -0.420 0.000 0.837 1396 A HN 0.584 nan 8.150 nan 0.000 0.444 1397 L N -0.960 120.269 121.223 0.010 0.000 2.089 1397 L HA -0.281 4.061 4.340 0.003 0.000 0.213 1397 L C 2.790 179.679 176.870 0.031 0.000 1.079 1397 L CA 2.135 57.019 54.840 0.074 0.000 0.758 1397 L CB -0.354 41.798 42.059 0.156 0.000 0.891 1397 L HN 0.676 nan 8.230 nan 0.000 0.433 1398 M N -0.434 119.181 119.600 0.024 0.000 2.074 1398 M HA -0.195 4.287 4.480 0.003 0.000 0.258 1398 M C 2.405 178.723 176.300 0.029 0.000 1.083 1398 M CA 1.645 56.963 55.300 0.030 0.000 1.128 1398 M CB -0.224 32.394 32.600 0.029 0.000 1.301 1398 M HN -0.078 nan 8.290 nan 0.000 0.417 1399 R N -0.134 120.366 120.500 0.001 0.000 2.140 1399 R HA -0.273 4.069 4.340 0.003 0.000 0.250 1399 R C 2.563 178.871 176.300 0.013 0.000 1.150 1399 R CA 1.859 57.955 56.100 -0.007 0.000 0.966 1399 R CB -1.492 28.772 30.300 -0.059 0.000 0.869 1399 R HN 0.734 nan 8.270 nan 0.000 0.445 1400 C N 0.941 120.222 119.300 -0.032 0.000 2.391 1400 C HA -0.143 4.318 4.460 0.003 0.000 0.276 1400 C C 2.501 177.489 174.990 -0.003 0.000 1.217 1400 C CA 1.584 60.572 59.018 -0.050 0.000 1.766 1400 C CB -0.947 26.747 27.740 -0.076 0.000 2.046 1400 C HN 0.604 nan 8.230 nan 0.000 0.475 1401 S N -1.417 114.308 115.700 0.042 0.000 2.803 1401 S HA 0.137 4.609 4.470 0.003 0.000 0.228 1401 S C 0.716 175.403 174.600 0.145 0.000 0.953 1401 S CA 0.209 58.447 58.200 0.063 0.000 0.983 1401 S CB -0.603 62.633 63.200 0.059 0.000 0.784 1401 S HN 0.754 nan 8.310 nan 0.000 0.498 1402 F N 1.170 121.106 119.950 -0.022 0.000 2.444 1402 F HA 0.504 5.032 4.527 0.003 0.000 0.263 1402 F C 1.783 177.573 175.800 -0.016 0.000 0.912 1402 F CA 0.453 58.452 58.000 -0.001 0.000 1.122 1402 F CB 0.163 39.167 39.000 0.007 0.000 1.246 1402 F HN 0.195 nan 8.300 nan 0.000 0.752 1403 E N -0.564 119.446 120.200 -0.317 0.000 3.596 1403 E HA 0.085 4.437 4.350 0.003 0.000 0.188 1403 E C -0.070 176.402 176.600 -0.212 0.000 1.232 1403 E CA -0.103 56.029 56.400 -0.448 0.000 1.460 1403 E CB 0.392 29.679 29.700 -0.688 0.000 1.513 1403 E HN 0.157 nan 8.360 nan 0.000 0.530 1404 E N 2.265 122.382 120.200 -0.140 0.000 1.972 1404 E HA 0.064 4.416 4.350 0.003 0.000 0.292 1404 E C 0.203 176.725 176.600 -0.130 0.000 1.193 1404 E CA -0.097 56.232 56.400 -0.119 0.000 1.228 1404 E CB 0.419 30.065 29.700 -0.090 0.000 1.167 1404 E HN 0.189 nan 8.360 nan 0.000 0.479 1405 T N -0.317 114.150 114.554 -0.145 0.000 2.622 1405 T HA -0.187 4.165 4.350 0.003 0.000 0.266 1405 T C 1.894 176.462 174.700 -0.220 0.000 1.047 1405 T CA 1.219 63.228 62.100 -0.152 0.000 1.159 1405 T CB -0.021 68.765 68.868 -0.136 0.000 0.863 1405 T HN 0.191 nan 8.240 nan 0.000 0.422 1406 V N 2.842 122.575 119.914 -0.301 0.000 2.283 1406 V HA -0.134 3.988 4.120 0.003 0.000 0.243 1406 V C 2.829 178.547 176.094 -0.626 0.000 1.039 1406 V CA 1.624 63.591 62.300 -0.555 0.000 1.016 1406 V CB -0.862 30.532 31.823 -0.715 0.000 0.650 1406 V HN 0.511 nan 8.190 nan 0.000 0.449 1407 E N 0.999 120.983 120.200 -0.360 0.000 2.147 1407 E HA -0.249 4.103 4.350 0.003 0.000 0.199 1407 E C 2.174 178.730 176.600 -0.074 0.000 1.005 1407 E CA 1.683 58.029 56.400 -0.090 0.000 0.810 1407 E CB -0.801 28.882 29.700 -0.027 0.000 0.736 1407 E HN 0.474 nan 8.360 nan 0.000 0.460 1408 I N 1.454 121.939 120.570 -0.143 0.000 2.113 1408 I HA -0.219 3.953 4.170 0.003 0.000 0.238 1408 I C 2.808 178.798 176.117 -0.212 0.000 1.070 1408 I CA 0.942 62.150 61.300 -0.154 0.000 1.332 1408 I CB -1.365 36.540 38.000 -0.158 0.000 1.044 1408 I HN 0.070 nan 8.210 nan 0.000 0.402 1409 L N -0.460 120.600 121.223 -0.273 0.000 2.079 1409 L HA -0.228 4.114 4.340 0.003 0.000 0.210 1409 L C 2.630 179.445 176.870 -0.092 0.000 1.081 1409 L CA 1.449 56.104 54.840 -0.309 0.000 0.752 1409 L CB -0.713 41.195 42.059 -0.251 0.000 0.896 1409 L HN 0.094 nan 8.230 nan 0.000 0.433 1410 F N 0.613 120.493 119.950 -0.117 0.000 1.997 1410 F HA -0.270 4.259 4.527 0.003 0.000 0.296 1410 F C 2.594 178.436 175.800 0.069 0.000 1.160 1410 F CA 1.195 59.151 58.000 -0.073 0.000 1.176 1410 F CB -0.251 38.566 39.000 -0.305 0.000 0.964 1410 F HN 0.017 nan 8.300 nan 0.000 0.484 1411 E N 0.409 120.730 120.200 0.201 0.000 2.273 1411 E HA -0.224 4.128 4.350 0.003 0.000 0.198 1411 E C 1.993 178.558 176.600 -0.059 0.000 1.002 1411 E CA 0.866 57.295 56.400 0.047 0.000 0.828 1411 E CB -0.278 29.398 29.700 -0.042 0.000 0.747 1411 E HN 0.420 nan 8.360 nan 0.000 0.491 1412 A N 0.799 123.552 122.820 -0.112 0.000 1.933 1412 A HA -0.078 4.243 4.320 0.003 0.000 0.218 1412 A C 2.385 179.935 177.584 -0.057 0.000 1.175 1412 A CA 1.642 53.531 52.037 -0.248 0.000 0.628 1412 A CB -0.900 17.676 19.000 -0.706 0.000 0.814 1412 A HN 0.376 nan 8.150 nan 0.000 0.444 1413 G N -0.932 107.922 108.800 0.089 0.000 2.408 1413 G HA2 0.155 4.117 3.960 0.003 0.000 0.215 1413 G HA3 0.155 4.117 3.960 0.003 0.000 0.215 1413 G C 1.673 176.610 174.900 0.061 0.000 1.156 1413 G CA 1.048 46.261 45.100 0.188 0.000 0.793 1413 G HN 0.738 nan 8.290 nan 0.000 0.535 1414 A N 0.541 123.349 122.820 -0.021 0.000 2.015 1414 A HA 0.149 4.471 4.320 0.003 0.000 0.219 1414 A C 2.231 179.559 177.584 -0.428 0.000 1.163 1414 A CA 1.937 53.813 52.037 -0.268 0.000 0.646 1414 A CB -0.111 18.668 19.000 -0.369 0.000 0.806 1414 A HN 0.261 nan 8.150 nan 0.000 0.448 1415 S N -1.121 114.391 115.700 -0.313 0.000 2.568 1415 S HA 0.479 4.951 4.470 0.003 0.000 0.232 1415 S C 0.806 175.296 174.600 -0.182 0.000 0.975 1415 S CA 0.317 58.305 58.200 -0.353 0.000 0.949 1415 S CB 0.207 63.217 63.200 -0.318 0.000 0.829 1415 S HN 1.510 nan 8.310 nan 0.000 0.479 1416 A N 2.105 124.866 122.820 -0.097 0.000 2.550 1416 A HA -0.232 4.090 4.320 0.003 0.000 0.298 1416 A C 0.161 177.684 177.584 -0.102 0.000 1.485 1416 A CA 0.666 52.659 52.037 -0.073 0.000 0.780 1416 A CB -1.703 17.292 19.000 -0.008 0.000 1.045 1416 A HN 0.625 nan 8.150 nan 0.000 0.423 1417 E N -0.894 119.272 120.200 -0.056 0.000 2.292 1417 E HA 0.271 4.623 4.350 0.003 0.000 0.265 1417 E C 0.048 176.658 176.600 0.018 0.000 1.093 1417 E CA -0.213 56.165 56.400 -0.036 0.000 0.922 1417 E CB 0.573 30.236 29.700 -0.062 0.000 1.001 1417 E HN 0.609 nan 8.360 nan 0.000 0.444 1418 L N 4.842 126.038 121.223 -0.044 0.000 2.302 1418 L HA 0.130 4.472 4.340 0.003 0.000 0.285 1418 L C 0.034 176.910 176.870 0.010 0.000 1.090 1418 L CA -0.361 54.444 54.840 -0.057 0.000 0.866 1418 L CB 0.262 42.248 42.059 -0.121 0.000 1.244 1418 L HN 0.423 nan 8.230 nan 0.000 0.435 1419 D N 2.458 122.909 120.400 0.086 0.000 2.399 1419 D HA -0.073 4.569 4.640 0.003 0.000 0.241 1419 D C 0.239 176.564 176.300 0.042 0.000 1.133 1419 D CA 0.079 54.134 54.000 0.093 0.000 0.890 1419 D CB 1.562 42.489 40.800 0.211 0.000 1.201 1419 D HN 0.596 nan 8.370 nan 0.000 0.432 1420 D N 1.090 121.512 120.400 0.035 0.000 2.162 1420 D HA -0.035 4.607 4.640 0.003 0.000 0.205 1420 D C 0.585 176.897 176.300 0.021 0.000 0.964 1420 D CA 0.416 54.429 54.000 0.022 0.000 0.847 1420 D CB -0.125 40.689 40.800 0.023 0.000 0.988 1420 D HN 0.576 nan 8.370 nan 0.000 0.480 1421 C N 0.903 120.220 119.300 0.028 0.000 4.424 1421 C HA -0.126 4.336 4.460 0.003 0.000 0.304 1421 C C 1.346 176.350 174.990 0.022 0.000 1.344 1421 C CA -0.085 58.948 59.018 0.024 0.000 2.033 1421 C CB -2.300 25.448 27.740 0.014 0.000 1.264 1421 C HN 0.378 nan 8.230 nan 0.000 0.750 1422 R N 0.149 120.666 120.500 0.028 0.000 2.344 1422 R HA 0.234 4.576 4.340 0.003 0.000 0.209 1422 R C 1.250 177.570 176.300 0.033 0.000 0.886 1422 R CA 0.811 56.932 56.100 0.036 0.000 1.040 1422 R CB 0.035 30.363 30.300 0.046 0.000 1.114 1422 R HN 0.641 nan 8.270 nan 0.000 0.547 1423 G N 0.481 109.296 108.800 0.026 0.000 2.599 1423 G HA2 0.294 4.256 3.960 0.003 0.000 0.264 1423 G HA3 0.294 4.256 3.960 0.003 0.000 0.264 1423 G C 1.092 175.998 174.900 0.010 0.000 1.200 1423 G CA -0.556 44.555 45.100 0.018 0.000 0.896 1423 G HN -0.147 nan 8.290 nan 0.000 0.536 1424 V N 0.935 120.850 119.914 0.001 0.000 2.239 1424 V HA -0.175 3.947 4.120 0.003 0.000 0.236 1424 V C 3.159 179.255 176.094 0.002 0.000 1.040 1424 V CA 2.452 64.749 62.300 -0.006 0.000 0.996 1424 V CB -1.106 30.707 31.823 -0.017 0.000 0.640 1424 V HN 0.869 nan 8.190 nan 0.000 0.456 1425 S N 0.623 116.329 115.700 0.009 0.000 2.393 1425 S HA -0.391 4.081 4.470 0.003 0.000 0.234 1425 S C 1.730 176.343 174.600 0.022 0.000 1.064 1425 S CA 2.196 60.406 58.200 0.018 0.000 1.088 1425 S CB -0.898 62.320 63.200 0.030 0.000 0.939 1425 S HN 0.687 nan 8.310 nan 0.000 0.448 1426 E N 1.366 121.582 120.200 0.026 0.000 2.393 1426 E HA -0.103 4.249 4.350 0.003 0.000 0.201 1426 E C 1.352 177.966 176.600 0.023 0.000 1.025 1426 E CA 1.015 57.435 56.400 0.033 0.000 0.856 1426 E CB -0.174 29.548 29.700 0.038 0.000 0.771 1426 E HN 0.561 nan 8.360 nan 0.000 0.526 1427 N N -1.133 117.575 118.700 0.013 0.000 2.273 1427 N HA 0.015 4.757 4.740 0.003 0.000 0.192 1427 N C 1.412 176.924 175.510 0.002 0.000 1.132 1427 N CA 0.191 53.244 53.050 0.005 0.000 0.887 1427 N CB 0.702 39.188 38.487 -0.002 0.000 1.048 1427 N HN -0.005 nan 8.380 nan 0.000 0.490 1428 V N 2.160 122.077 119.914 0.004 0.000 2.323 1428 V HA -0.105 4.017 4.120 0.003 0.000 0.244 1428 V C 2.361 178.460 176.094 0.009 0.000 1.041 1428 V CA 0.926 63.228 62.300 0.003 0.000 1.025 1428 V CB -0.169 31.655 31.823 0.003 0.000 0.656 1428 V HN 0.162 nan 8.190 nan 0.000 0.451 1429 I N -0.053 120.526 120.570 0.016 0.000 2.118 1429 I HA -0.270 3.902 4.170 0.003 0.000 0.241 1429 I C 2.149 178.276 176.117 0.017 0.000 1.070 1429 I CA 2.125 63.438 61.300 0.022 0.000 1.327 1429 I CB -0.822 37.199 38.000 0.035 0.000 1.034 1429 I HN 0.280 nan 8.210 nan 0.000 0.405 1430 L N 0.339 121.570 121.223 0.013 0.000 2.599 1430 L HA 0.111 4.453 4.340 0.003 0.000 0.230 1430 L C 0.975 177.847 176.870 0.003 0.000 1.141 1430 L CA 0.276 55.121 54.840 0.007 0.000 0.877 1430 L CB -0.603 41.458 42.059 0.004 0.000 1.009 1430 L HN 0.480 nan 8.230 nan 0.000 0.447 1431 G N 1.173 109.975 108.800 0.003 0.000 2.363 1431 G HA2 -0.264 3.697 3.960 0.003 0.000 0.286 1431 G HA3 -0.264 3.697 3.960 0.003 0.000 0.286 1431 G C -0.225 174.673 174.900 -0.004 0.000 0.975 1431 G CA 0.128 45.228 45.100 0.000 0.000 1.309 1431 G HN 0.473 nan 8.290 nan 0.000 0.491 1432 Q N -0.492 119.303 119.800 -0.007 0.000 2.456 1432 Q HA 0.503 4.845 4.340 0.003 0.000 0.284 1432 Q C 0.213 176.202 176.000 -0.019 0.000 1.061 1432 Q CA -1.090 54.706 55.803 -0.012 0.000 0.799 1432 Q CB 1.636 30.368 28.738 -0.011 0.000 1.445 1432 Q HN 0.423 nan 8.270 nan 0.000 0.411 1433 M N 2.298 121.882 119.600 -0.027 0.000 2.685 1433 M HA 0.265 4.747 4.480 0.003 0.000 0.316 1433 M C -0.860 175.412 176.300 -0.047 0.000 1.523 1433 M CA 0.048 55.324 55.300 -0.041 0.000 1.472 1433 M CB -0.260 32.309 32.600 -0.050 0.000 1.525 1433 M HN 0.681 nan 8.290 nan 0.000 0.471 1434 A N 7.001 129.796 122.820 -0.042 0.000 2.331 1434 A HA 0.537 4.858 4.320 0.003 0.000 0.283 1434 A C -2.152 175.404 177.584 -0.046 0.000 1.142 1434 A CA -1.492 50.524 52.037 -0.035 0.000 0.812 1434 A CB -0.193 18.793 19.000 -0.024 0.000 1.074 1434 A HN 0.621 nan 8.150 nan 0.000 0.497 1435 P HA -0.038 nan 4.420 nan 0.000 0.088 1435 P C -0.803 176.474 177.300 -0.038 0.000 0.712 1435 P CA 1.400 64.486 63.100 -0.022 0.000 1.102 1435 P CB -0.669 31.038 31.700 0.011 0.000 1.624 1436 I N -0.987 119.549 120.570 -0.057 0.000 3.195 1436 I HA 0.365 4.537 4.170 0.003 0.000 0.313 1436 I C 1.799 177.887 176.117 -0.049 0.000 1.237 1436 I CA -0.566 60.699 61.300 -0.058 0.000 0.963 1436 I CB 1.089 39.056 38.000 -0.055 0.000 1.278 1436 I HN 0.148 nan 8.210 nan 0.000 0.460 1437 G N 0.912 109.694 108.800 -0.030 0.000 3.135 1437 G HA2 -0.380 3.582 3.960 0.003 0.000 0.315 1437 G HA3 -0.380 3.582 3.960 0.003 0.000 0.315 1437 G C 1.178 176.125 174.900 0.078 0.000 1.187 1437 G CA 2.386 47.499 45.100 0.022 0.000 1.089 1437 G HN 0.609 nan 8.290 nan 0.000 0.972 1438 T N 0.498 115.043 114.554 -0.015 0.000 2.942 1438 T HA 0.203 4.555 4.350 0.003 0.000 0.265 1438 T C 2.059 176.438 174.700 -0.535 0.000 1.062 1438 T CA 1.414 63.448 62.100 -0.110 0.000 1.139 1438 T CB -0.123 68.714 68.868 -0.052 0.000 0.883 1438 T HN 0.558 nan 8.240 nan 0.000 0.468 1439 G N 0.054 108.650 108.800 -0.340 0.000 3.523 1439 G HA2 0.468 4.430 3.960 0.003 0.000 0.270 1439 G HA3 0.468 4.430 3.960 0.003 0.000 0.270 1439 G C 1.291 176.038 174.900 -0.255 0.000 1.134 1439 G CA 0.498 45.388 45.100 -0.350 0.000 0.825 1439 G HN 0.449 nan 8.290 nan 0.000 0.534 1440 A N 0.955 123.654 122.820 -0.201 0.000 1.854 1440 A HA 0.341 4.663 4.320 0.003 0.000 0.214 1440 A C 1.247 178.927 177.584 0.160 0.000 1.192 1440 A CA 0.781 52.875 52.037 0.095 0.000 0.611 1440 A CB -0.448 18.739 19.000 0.312 0.000 0.832 1440 A HN 0.494 nan 8.150 nan 0.000 0.442 1441 F N -1.565 118.489 119.950 0.175 0.000 2.190 1441 F HA 0.724 5.253 4.527 0.003 0.000 0.286 1441 F C -0.146 175.668 175.800 0.023 0.000 1.025 1441 F CA -1.202 56.828 58.000 0.050 0.000 1.135 1441 F CB 0.167 39.184 39.000 0.029 0.000 1.748 1441 F HN -0.001 nan 8.300 nan 0.000 0.542 1442 D N -0.318 120.219 120.400 0.228 0.000 2.931 1442 D HA 0.299 4.941 4.640 0.003 0.000 0.215 1442 D C -1.519 174.875 176.300 0.158 0.000 1.297 1442 D CA -0.241 53.813 54.000 0.091 0.000 0.892 1442 D CB 2.523 43.344 40.800 0.035 0.000 1.642 1442 D HN 0.415 nan 8.370 nan 0.000 0.560 1443 V N 4.473 124.466 119.914 0.133 0.000 2.546 1443 V HA 0.535 4.657 4.120 0.003 0.000 0.284 1443 V C 0.627 176.760 176.094 0.066 0.000 1.050 1443 V CA 0.113 62.486 62.300 0.123 0.000 0.981 1443 V CB 1.188 33.086 31.823 0.124 0.000 0.990 1443 V HN 0.562 nan 8.190 nan 0.000 0.474 1444 M N 4.074 123.706 119.600 0.054 0.000 2.716 1444 M HA 0.584 5.066 4.480 0.003 0.000 0.278 1444 M C -0.952 175.365 176.300 0.028 0.000 1.281 1444 M CA -0.725 54.595 55.300 0.035 0.000 0.814 1444 M CB 2.483 35.099 32.600 0.027 0.000 1.719 1444 M HN 0.591 nan 8.290 nan 0.000 0.457 1445 I N 0.000 120.584 120.570 0.023 0.000 2.984 1445 I HA 0.000 4.172 4.170 0.003 0.000 0.288 1445 I CA 0.000 61.312 61.300 0.019 0.000 1.566 1445 I CB 0.000 38.011 38.000 0.019 0.000 1.214 1445 I HN 0.000 nan 8.210 nan 0.000 0.494