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 2nvz_1_A DATA FIRST_RESID 2 DATA SEQUENCE VGQQYSSAPL RTVKEVQFGL FSPEEVRAIS VAKIRFPETM DETQTRAKIG DATA SEQUENCE GLNDPRLGSI DRNLKCQTcQ EGMNEcPGHF GHIDLAKPVF HVGFIAKIKK DATA SEQUENCE VCECVCMHCG KLLLDEHNEL MRQALAIKDS KKRFAAIWTL CKTKMVCETD DATA SEQUENCE VPSEXXXXXL VSRGGCGNTQ PTIRKDGLKL VGSWXXXXXX XXXXXXXLRV DATA SEQUENCE LSTEEILNIF KHISVKDFTS LGFNEVFSRP EWMILTCLPV PPPPVRPSIS DATA SEQUENCE FNESQRGEDD LTFKLADILK ANISLETLEH NGAPHHAIEE AESLLQFHVA DATA SEQUENCE TYMDNDIAGQ PQAXXXXGRP VKSIRARLKG KEGRIRGNLM GKRVDFSART DATA SEQUENCE VISGDPNLEL DQVGVPKSIA KTLTYPEVVT PYNIDRLTQL VRNGPNEHPG DATA SEQUENCE AKYVIRDSGD RIDLRYSKRA GDIQLQYGWK VERHIMDNDP VLFNRQPSLH DATA SEQUENCE KMSMMAHRVK VIPYSTFRLN LSVTSPYNAD FDGDEMNLHV PQSEETRAEL DATA SEQUENCE SQLCAVPLQI VSPQSNKPCM GIVQDTLCGI RKLTLRDTFI ELDQVLNMLY DATA SEQUENCE WVPDWDGVIP TPAIIKPKPL WSGKQILSVA IPNGIHLQRF DEGTTLLSPK DATA SEQUENCE DNGMLIIDGQ IIFGVVEKKT VGSSNGGLIH VVTREKGPQV CAKLFGNIQK DATA SEQUENCE VVNFWLLHNG FSTGIGDTIA DGPTMREITE TIAEAKKKVL DVTKEAQANL DATA SEQUENCE LTAKHGMTLR ESFEDNVVRF LNEARDKAGR LAEVNLKDLN NVKQMVMAGS DATA SEQUENCE KGSFINIAQM SACVGQQSVE GKRIAFGFVD RTLPHFSKDD YSPESKGFVE DATA SEQUENCE NSYLRGLTPQ EFFFHAMGGR EGLIDTAVKT AETGYIQRRL VKALEDIMVH DATA SEQUENCE YDNTTRNSLG NVIQFIYGED GMDAAHIEKQ SLDTIGGSDA AFEKRYRVDL DATA SEQUENCE LNTDHTLDPS LLESGSEILG DLKLQVLLDE EYKQLVKDRK FLREVFVDGE DATA SEQUENCE ANWPLPVNIR RIIQNAQQTF HIDHTKPSDL TIKDIVLGVK DLQENLLVLR DATA SEQUENCE GKNEIIQNAQ RDAVTLFCCL LRSRLATRRV LQEYRLTKQA FDWVLSNIEA DATA SEQUENCE QFLRSVVHPG EMVGVLAAQS IGEPATQMTL NTFHFAGVAS KKVTSGVPRL DATA SEQUENCE KEILNVAKNM KTPSLTVYLE PGHAADQEQA KLIRSAIEHT TLKSVTIASE DATA SEQUENCE IYYDPDPRST VIPEDEEIIQ LHFSLXXXXX XXXXXQQSPW LLRLELDRAA DATA SEQUENCE MNDKDLTMGQ VGERIKQTFK NDLFVIWSED XXXXLIIRCR VVXXXXXXXX DATA SEQUENCE XXAEEDHMLK KIENTMLENI TLRGVENIER VVMMKYDRKV PSPTGEYVKE DATA SEQUENCE PEWVLETDGV NLSEVMTVPG IDPTRIYTNS FIDIMEVLGI EAGRAALYKE DATA SEQUENCE VYNVIASDGS YVNYRHMALL VDVMTTQGGL TSVTRHGFNR SNTGALMRCS DATA SEQUENCE FEETVEILFE AGASAELDDC RGVSENVILG QMAPIGTGAF DVMI 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 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.073 176.094 -0.035 0.000 1.182 2 V CA 0.000 62.244 62.300 -0.093 0.000 1.235 2 V CB 0.000 31.756 31.823 -0.111 0.000 1.184 3 G N 4.037 112.843 108.800 0.009 0.000 2.880 3 G HA2 0.446 4.396 3.960 -0.017 0.000 0.303 3 G HA3 0.446 4.396 3.960 -0.017 0.000 0.303 3 G C -0.078 174.844 174.900 0.036 0.000 2.853 3 G CA 0.325 45.432 45.100 0.013 0.000 0.748 3 G HN 0.615 nan 8.290 nan 0.000 0.349 4 Q N 0.601 120.424 119.800 0.038 0.000 2.387 4 Q HA 0.158 4.488 4.340 -0.017 0.000 0.208 4 Q C 0.179 176.205 176.000 0.044 0.000 0.935 4 Q CA 0.575 56.395 55.803 0.027 0.000 0.891 4 Q CB 0.429 29.177 28.738 0.017 0.000 1.007 4 Q HN 0.540 nan 8.270 nan 0.000 0.548 5 Q N 0.445 120.285 119.800 0.067 0.000 2.330 5 Q HA 0.327 4.657 4.340 -0.017 0.000 0.269 5 Q C -1.658 174.433 176.000 0.152 0.000 1.022 5 Q CA -0.768 55.088 55.803 0.089 0.000 0.796 5 Q CB 1.820 30.592 28.738 0.057 0.000 1.271 5 Q HN 0.147 nan 8.270 nan 0.000 0.450 6 Y N 2.408 122.708 120.300 0.001 0.000 2.436 6 Y HA 0.077 4.618 4.550 -0.016 0.000 0.336 6 Y C 0.514 176.417 175.900 0.005 0.000 1.049 6 Y CA -0.020 58.082 58.100 0.003 0.000 1.294 6 Y CB 0.524 38.985 38.460 0.002 0.000 1.179 6 Y HN 0.640 nan 8.280 nan 0.000 0.520 7 S N 2.054 117.645 115.700 -0.181 0.000 2.786 7 S HA 0.346 4.806 4.470 -0.017 0.000 0.307 7 S C 0.002 174.446 174.600 -0.260 0.000 1.121 7 S CA -0.832 57.275 58.200 -0.155 0.000 0.975 7 S CB 1.246 64.392 63.200 -0.090 0.000 1.220 7 S HN 0.563 nan 8.310 nan 0.000 0.550 8 S N 0.811 116.421 115.700 -0.151 0.000 3.355 8 S HA 0.399 4.859 4.470 -0.017 0.000 0.293 8 S C 0.148 174.655 174.600 -0.156 0.000 1.197 8 S CA -0.377 57.740 58.200 -0.139 0.000 1.117 8 S CB -1.935 61.221 63.200 -0.074 0.000 1.587 8 S HN 1.008 nan 8.310 nan 0.000 0.536 9 A N 6.017 128.688 122.820 -0.249 0.000 2.279 9 A HA 0.588 4.898 4.320 -0.017 0.000 0.306 9 A C -2.089 175.417 177.584 -0.130 0.000 1.300 9 A CA -1.271 50.629 52.037 -0.228 0.000 0.925 9 A CB 0.163 18.919 19.000 -0.407 0.000 1.152 9 A HN 0.668 nan 8.150 nan 0.000 0.544 10 P HA 0.325 nan 4.420 nan 0.000 0.231 10 P C -0.782 176.501 177.300 -0.027 0.000 1.772 10 P CA -0.486 62.589 63.100 -0.042 0.000 1.167 10 P CB 0.546 32.227 31.700 -0.032 0.000 1.691 11 L N 4.119 125.332 121.223 -0.017 0.000 2.565 11 L HA 0.245 4.575 4.340 -0.017 0.000 0.275 11 L C -0.232 176.640 176.870 0.003 0.000 1.137 11 L CA 0.807 55.647 54.840 0.001 0.000 0.915 11 L CB -0.364 41.708 42.059 0.021 0.000 1.232 11 L HN 0.166 nan 8.230 nan 0.000 0.473 12 R N 2.981 123.481 120.500 -0.000 0.000 2.744 12 R HA 0.547 4.877 4.340 -0.017 0.000 0.279 12 R C -0.230 176.068 176.300 -0.002 0.000 0.977 12 R CA -0.653 55.446 56.100 -0.001 0.000 0.906 12 R CB 1.398 31.695 30.300 -0.005 0.000 1.197 12 R HN 0.624 nan 8.270 nan 0.000 0.463 13 T N -0.278 114.274 114.554 -0.003 0.000 2.754 13 T HA 0.289 4.629 4.350 -0.017 0.000 0.286 13 T C 0.517 175.210 174.700 -0.012 0.000 0.997 13 T CA -0.648 61.449 62.100 -0.005 0.000 0.982 13 T CB 0.755 69.620 68.868 -0.005 0.000 1.027 13 T HN 0.204 nan 8.240 nan 0.000 0.529 14 V N 2.146 122.051 119.914 -0.016 0.000 2.432 14 V HA 0.301 4.411 4.120 -0.017 0.000 0.275 14 V C 0.879 176.956 176.094 -0.028 0.000 1.043 14 V CA -0.362 61.922 62.300 -0.027 0.000 0.925 14 V CB 1.105 32.908 31.823 -0.032 0.000 0.985 14 V HN 0.787 nan 8.190 nan 0.000 0.466 15 K N 2.318 122.698 120.400 -0.034 0.000 2.435 15 K HA 0.351 4.661 4.320 -0.017 0.000 0.199 15 K C 0.151 176.726 176.600 -0.041 0.000 1.153 15 K CA 0.212 56.482 56.287 -0.029 0.000 0.974 15 K CB 1.315 33.803 32.500 -0.019 0.000 0.997 15 K HN 0.676 nan 8.250 nan 0.000 0.547 16 E N 1.178 121.340 120.200 -0.064 0.000 2.274 16 E HA 0.253 4.593 4.350 -0.017 0.000 0.269 16 E C -1.419 175.089 176.600 -0.154 0.000 0.891 16 E CA -0.383 55.961 56.400 -0.093 0.000 0.784 16 E CB 2.799 32.451 29.700 -0.081 0.000 1.225 16 E HN -0.233 nan 8.360 nan 0.000 0.412 17 V N 3.350 123.139 119.914 -0.208 0.000 2.427 17 V HA 0.307 4.417 4.120 -0.017 0.000 0.286 17 V C -0.099 175.690 176.094 -0.508 0.000 1.034 17 V CA -0.499 61.579 62.300 -0.371 0.000 0.893 17 V CB 1.583 33.168 31.823 -0.397 0.000 0.982 17 V HN 0.583 nan 8.190 nan 0.000 0.452 18 Q N 4.014 123.437 119.800 -0.628 0.000 2.337 18 Q HA 0.439 4.769 4.340 -0.017 0.000 0.260 18 Q C -1.324 174.271 176.000 -0.674 0.000 0.982 18 Q CA -0.315 55.111 55.803 -0.629 0.000 0.734 18 Q CB 1.623 30.000 28.738 -0.602 0.000 1.272 18 Q HN 0.617 nan 8.270 nan 0.000 0.461 19 F N 0.518 120.320 119.950 -0.247 0.000 2.399 19 F HA 0.751 5.268 4.527 -0.017 0.000 0.313 19 F C 1.486 177.152 175.800 -0.224 0.000 1.202 19 F CA 0.513 58.400 58.000 -0.188 0.000 1.192 19 F CB 0.994 39.935 39.000 -0.099 0.000 1.256 19 F HN 0.604 nan 8.300 nan 0.000 0.558 20 G N -0.314 108.532 108.800 0.076 0.000 2.435 20 G HA2 0.475 4.425 3.960 -0.017 0.000 0.228 20 G HA3 0.475 4.425 3.960 -0.017 0.000 0.228 20 G C -2.012 172.939 174.900 0.087 0.000 1.198 20 G CA -0.925 44.208 45.100 0.055 0.000 0.948 20 G HN 0.518 nan 8.290 nan 0.000 0.487 21 L N -0.327 120.965 121.223 0.114 0.000 2.350 21 L HA 0.595 4.925 4.340 -0.017 0.000 0.260 21 L C -1.159 175.721 176.870 0.017 0.000 1.015 21 L CA -0.757 54.180 54.840 0.161 0.000 0.821 21 L CB 2.684 44.918 42.059 0.291 0.000 1.370 21 L HN 0.451 nan 8.230 nan 0.000 0.416 22 F N 1.114 121.104 119.950 0.067 0.000 2.375 22 F HA 0.181 4.698 4.527 -0.017 0.000 0.362 22 F C 0.911 176.551 175.800 -0.267 0.000 1.129 22 F CA -0.302 57.644 58.000 -0.089 0.000 1.154 22 F CB 1.380 40.361 39.000 -0.032 0.000 1.205 22 F HN 0.412 nan 8.300 nan 0.000 0.513 23 S N 4.807 120.197 115.700 -0.518 0.000 2.580 23 S HA 0.261 4.721 4.470 -0.017 0.000 0.274 23 S C -1.657 172.690 174.600 -0.422 0.000 1.329 23 S CA -1.265 56.315 58.200 -1.034 0.000 1.036 23 S CB 1.313 63.400 63.200 -1.854 0.000 0.919 23 S HN 0.420 nan 8.310 nan 0.000 0.515 24 P HA -0.113 nan 4.420 nan 0.000 0.225 24 P C 1.054 178.260 177.300 -0.155 0.000 1.148 24 P CA 0.972 63.990 63.100 -0.136 0.000 0.779 24 P CB 0.123 31.794 31.700 -0.049 0.000 0.780 25 E N 0.340 120.401 120.200 -0.233 0.000 2.107 25 E HA -0.155 4.185 4.350 -0.017 0.000 0.191 25 E C 1.807 178.306 176.600 -0.169 0.000 0.982 25 E CA 0.862 57.159 56.400 -0.173 0.000 0.809 25 E CB 0.070 29.670 29.700 -0.165 0.000 0.756 25 E HN 0.291 nan 8.360 nan 0.000 0.459 26 E N -0.325 119.746 120.200 -0.216 0.000 2.038 26 E HA -0.089 4.251 4.350 -0.017 0.000 0.190 26 E C 2.220 178.786 176.600 -0.056 0.000 0.967 26 E CA 0.793 57.117 56.400 -0.126 0.000 0.816 26 E CB 0.138 29.754 29.700 -0.139 0.000 0.784 26 E HN 0.049 nan 8.360 nan 0.000 0.456 27 V N 1.825 121.726 119.914 -0.022 0.000 2.277 27 V HA -0.354 3.756 4.120 -0.017 0.000 0.253 27 V C 2.339 178.376 176.094 -0.094 0.000 1.067 27 V CA 2.032 64.323 62.300 -0.016 0.000 1.047 27 V CB -0.560 31.251 31.823 -0.019 0.000 0.649 27 V HN 0.238 nan 8.190 nan 0.000 0.447 28 R N -0.605 119.795 120.500 -0.168 0.000 2.090 28 R HA -0.023 4.307 4.340 -0.017 0.000 0.228 28 R C 2.364 178.515 176.300 -0.247 0.000 1.110 28 R CA 1.325 57.225 56.100 -0.332 0.000 0.973 28 R CB -0.438 29.700 30.300 -0.270 0.000 0.869 28 R HN 0.565 nan 8.270 nan 0.000 0.440 29 A N 0.518 123.254 122.820 -0.139 0.000 1.968 29 A HA -0.054 4.256 4.320 -0.017 0.000 0.217 29 A C 1.904 179.454 177.584 -0.057 0.000 1.169 29 A CA 0.799 52.782 52.037 -0.091 0.000 0.638 29 A CB -0.101 18.857 19.000 -0.070 0.000 0.812 29 A HN 0.250 nan 8.150 nan 0.000 0.446 30 I N 0.373 120.921 120.570 -0.036 0.000 3.793 30 I HA 0.008 4.169 4.170 -0.017 0.000 0.315 30 I C 1.030 177.178 176.117 0.051 0.000 1.275 30 I CA 0.289 61.600 61.300 0.018 0.000 1.214 30 I CB 0.092 38.122 38.000 0.050 0.000 1.018 30 I HN 0.373 nan 8.210 nan 0.000 0.439 31 S N -0.477 115.232 115.700 0.016 0.000 2.603 31 S HA 0.187 4.647 4.470 -0.017 0.000 0.268 31 S C 0.985 175.634 174.600 0.083 0.000 1.317 31 S CA -0.089 58.162 58.200 0.084 0.000 1.012 31 S CB 1.737 64.981 63.200 0.075 0.000 0.926 31 S HN 0.150 nan 8.310 nan 0.000 0.539 32 V N -1.940 118.045 119.914 0.118 0.000 3.090 32 V HA 0.578 4.688 4.120 -0.017 0.000 0.237 32 V C 0.948 177.089 176.094 0.077 0.000 1.209 32 V CA 0.312 62.652 62.300 0.067 0.000 1.209 32 V CB -1.255 30.585 31.823 0.029 0.000 0.971 32 V HN 1.077 nan 8.190 nan 0.000 0.477 33 A N 0.671 123.550 122.820 0.099 0.000 2.279 33 A HA 0.610 4.920 4.320 -0.017 0.000 0.303 33 A C 0.903 178.503 177.584 0.028 0.000 1.108 33 A CA -0.174 51.889 52.037 0.044 0.000 0.830 33 A CB 1.025 20.027 19.000 0.004 0.000 1.106 33 A HN 0.430 nan 8.150 nan 0.000 0.493 34 K N 0.506 120.867 120.400 -0.065 0.000 2.276 34 K HA 0.210 4.520 4.320 -0.017 0.000 0.198 34 K C -0.373 176.037 176.600 -0.317 0.000 1.052 34 K CA 0.209 56.401 56.287 -0.158 0.000 0.984 34 K CB -0.020 32.419 32.500 -0.102 0.000 0.836 34 K HN 0.591 nan 8.250 nan 0.000 0.490 35 I N 2.560 122.984 120.570 -0.243 0.000 7.369 35 I HA -0.327 3.833 4.170 -0.017 0.000 0.126 35 I C 0.617 176.533 176.117 -0.334 0.000 1.710 35 I CA 0.730 61.879 61.300 -0.251 0.000 2.273 35 I CB -1.386 36.469 38.000 -0.242 0.000 3.400 35 I HN 0.383 nan 8.210 nan 0.000 0.235 36 R N 2.012 122.242 120.500 -0.450 0.000 2.146 36 R HA 0.271 4.601 4.340 -0.017 0.000 0.206 36 R C 0.218 175.970 176.300 -0.912 0.000 1.049 36 R CA 1.060 56.652 56.100 -0.846 0.000 1.029 36 R CB 0.452 29.936 30.300 -1.361 0.000 0.949 36 R HN 0.367 nan 8.270 nan 0.000 0.471 37 F N 0.412 120.316 119.950 -0.078 0.000 2.576 37 F HA 0.461 4.978 4.527 -0.017 0.000 0.313 37 F C -2.294 173.456 175.800 -0.083 0.000 1.078 37 F CA -2.968 54.987 58.000 -0.075 0.000 0.921 37 F CB 1.652 40.614 39.000 -0.063 0.000 1.232 37 F HN -0.170 nan 8.300 nan 0.000 0.459 38 P HA 0.349 nan 4.420 nan 0.000 0.281 38 P C -0.182 177.125 177.300 0.013 0.000 1.281 38 P CA -0.343 62.763 63.100 0.010 0.000 0.811 38 P CB 1.796 33.470 31.700 -0.043 0.000 1.154 39 E N -0.707 119.470 120.200 -0.039 0.000 2.068 39 E HA 0.007 4.347 4.350 -0.017 0.000 0.201 39 E C 0.695 177.249 176.600 -0.078 0.000 0.947 39 E CA 1.346 57.694 56.400 -0.086 0.000 0.909 39 E CB 0.163 29.787 29.700 -0.126 0.000 1.015 39 E HN 0.633 nan 8.360 nan 0.000 0.484 40 T N -2.521 111.992 114.554 -0.068 0.000 3.631 40 T HA 0.179 4.519 4.350 -0.017 0.000 0.264 40 T C 1.323 176.003 174.700 -0.034 0.000 0.974 40 T CA -0.215 61.854 62.100 -0.052 0.000 1.143 40 T CB -0.097 68.735 68.868 -0.061 0.000 1.149 40 T HN -0.003 nan 8.240 nan 0.000 0.410 41 M N 1.468 121.047 119.600 -0.035 0.000 2.562 41 M HA 0.457 4.927 4.480 -0.017 0.000 0.194 41 M C -0.885 175.398 176.300 -0.029 0.000 1.354 41 M CA 0.457 55.741 55.300 -0.026 0.000 1.305 41 M CB 0.387 32.973 32.600 -0.023 0.000 0.985 41 M HN 0.041 nan 8.290 nan 0.000 0.488 42 D N 1.983 122.363 120.400 -0.032 0.000 2.389 42 D HA 0.057 4.687 4.640 -0.017 0.000 0.247 42 D C 0.008 176.283 176.300 -0.042 0.000 1.128 42 D CA 0.273 54.253 54.000 -0.034 0.000 0.884 42 D CB 0.518 41.299 40.800 -0.032 0.000 1.194 42 D HN 0.352 nan 8.370 nan 0.000 0.441 43 E N 0.454 120.627 120.200 -0.046 0.000 2.609 43 E HA 0.070 4.411 4.350 -0.017 0.000 0.208 43 E C -0.794 175.771 176.600 -0.059 0.000 1.013 43 E CA -0.665 55.698 56.400 -0.061 0.000 1.093 43 E CB -0.497 29.160 29.700 -0.072 0.000 1.129 43 E HN 0.300 nan 8.360 nan 0.000 0.450 44 T N 1.712 116.237 114.554 -0.048 0.000 2.923 44 T HA -0.163 4.177 4.350 -0.017 0.000 0.463 44 T C 0.133 174.810 174.700 -0.038 0.000 0.780 44 T CA 0.978 63.053 62.100 -0.042 0.000 2.436 44 T CB -1.479 67.362 68.868 -0.044 0.000 1.675 44 T HN 0.530 nan 8.240 nan 0.000 0.598 45 Q N -0.922 118.858 119.800 -0.033 0.000 2.089 45 Q HA 0.137 4.467 4.340 -0.017 0.000 0.248 45 Q C 0.028 176.011 176.000 -0.028 0.000 0.828 45 Q CA -0.456 55.329 55.803 -0.030 0.000 1.102 45 Q CB 0.827 29.550 28.738 -0.026 0.000 1.221 45 Q HN 0.575 nan 8.270 nan 0.000 0.455 46 T N 2.415 116.951 114.554 -0.030 0.000 2.734 46 T HA 0.029 4.369 4.350 -0.017 0.000 0.269 46 T C 0.304 174.989 174.700 -0.024 0.000 0.964 46 T CA 0.367 62.451 62.100 -0.026 0.000 1.226 46 T CB -0.161 68.691 68.868 -0.026 0.000 0.910 46 T HN 0.119 nan 8.240 nan 0.000 0.534 47 R N 2.862 123.349 120.500 -0.022 0.000 2.609 47 R HA 0.455 4.785 4.340 -0.017 0.000 0.271 47 R C 0.768 177.057 176.300 -0.018 0.000 1.403 47 R CA -0.126 55.961 56.100 -0.022 0.000 1.138 47 R CB -0.069 30.218 30.300 -0.022 0.000 1.142 47 R HN 0.765 nan 8.270 nan 0.000 0.559 48 A N 2.113 124.922 122.820 -0.018 0.000 1.936 48 A HA 0.400 4.710 4.320 -0.017 0.000 0.162 48 A C -1.084 176.492 177.584 -0.012 0.000 1.462 48 A CA -0.545 51.484 52.037 -0.014 0.000 2.725 48 A CB 0.818 19.811 19.000 -0.012 0.000 3.017 48 A HN 0.347 nan 8.150 nan 0.000 1.262 49 K N 0.405 120.799 120.400 -0.010 0.000 2.512 49 K HA 0.669 4.979 4.320 -0.017 0.000 0.263 49 K C -1.310 175.288 176.600 -0.004 0.000 0.966 49 K CA -0.666 55.617 56.287 -0.007 0.000 0.851 49 K CB 2.488 34.986 32.500 -0.002 0.000 1.395 49 K HN 0.805 nan 8.250 nan 0.000 0.440 50 I N -2.314 118.257 120.570 0.003 0.000 2.846 50 I HA 0.470 4.630 4.170 -0.017 0.000 0.307 50 I C 0.251 176.391 176.117 0.039 0.000 1.053 50 I CA -0.445 60.865 61.300 0.016 0.000 1.050 50 I CB 1.411 39.422 38.000 0.018 0.000 1.239 50 I HN 0.761 nan 8.210 nan 0.000 0.439 51 G N 1.928 110.767 108.800 0.065 0.000 3.452 51 G HA2 0.424 4.374 3.960 -0.017 0.000 0.258 51 G HA3 0.424 4.374 3.960 -0.017 0.000 0.258 51 G C 0.592 175.570 174.900 0.129 0.000 1.305 51 G CA 0.299 45.447 45.100 0.081 0.000 1.514 51 G HN 1.168 nan 8.290 nan 0.000 0.593 52 G N -0.752 108.115 108.800 0.112 0.000 2.529 52 G HA2 0.367 4.317 3.960 -0.017 0.000 0.174 52 G HA3 0.367 4.317 3.960 -0.017 0.000 0.174 52 G C -0.263 174.633 174.900 -0.007 0.000 1.373 52 G CA -0.083 45.068 45.100 0.084 0.000 0.820 52 G HN 0.367 nan 8.290 nan 0.000 0.962 53 L N 1.041 122.266 121.223 0.003 0.000 2.466 53 L HA 0.341 4.671 4.340 -0.017 0.000 0.258 53 L C -0.932 175.923 176.870 -0.025 0.000 0.973 53 L CA -0.815 54.007 54.840 -0.031 0.000 0.826 53 L CB 1.900 43.935 42.059 -0.040 0.000 1.372 53 L HN 0.278 nan 8.230 nan 0.000 0.409 54 N N 1.287 119.965 118.700 -0.036 0.000 2.759 54 N HA -0.270 4.460 4.740 -0.017 0.000 0.277 54 N C -0.499 175.005 175.510 -0.010 0.000 0.982 54 N CA 1.586 54.620 53.050 -0.028 0.000 0.833 54 N CB -0.842 37.624 38.487 -0.034 0.000 0.927 54 N HN 0.887 nan 8.380 nan 0.000 0.573 55 D N -1.910 118.489 120.400 -0.001 0.000 1.948 55 D HA 0.120 4.750 4.640 -0.017 0.000 0.376 55 D C -2.760 173.548 176.300 0.013 0.000 1.209 55 D CA 0.293 54.299 54.000 0.009 0.000 1.207 55 D CB -0.050 40.755 40.800 0.007 0.000 1.980 55 D HN 0.381 nan 8.370 nan 0.000 0.471 56 P HA 0.444 nan 4.420 nan 0.000 0.285 56 P C -0.685 176.616 177.300 0.001 0.000 1.448 56 P CA -0.002 63.100 63.100 0.004 0.000 0.953 56 P CB 0.743 32.447 31.700 0.007 0.000 1.175 57 R N 2.314 122.811 120.500 -0.005 0.000 2.633 57 R HA 0.323 4.653 4.340 -0.017 0.000 0.348 57 R C 0.985 177.279 176.300 -0.010 0.000 1.100 57 R CA -0.510 55.576 56.100 -0.024 0.000 1.068 57 R CB 0.037 30.301 30.300 -0.061 0.000 1.351 57 R HN 0.372 nan 8.270 nan 0.000 0.575 58 L N -0.002 121.253 121.223 0.053 0.000 2.367 58 L HA 0.116 4.446 4.340 -0.017 0.000 0.215 58 L C 1.415 178.370 176.870 0.142 0.000 1.197 58 L CA 0.182 55.116 54.840 0.156 0.000 0.836 58 L CB 0.141 42.252 42.059 0.086 0.000 1.242 58 L HN 0.299 nan 8.230 nan 0.000 0.553 59 G N -0.543 108.331 108.800 0.124 0.000 2.486 59 G HA2 0.331 4.281 3.960 -0.017 0.000 0.272 59 G HA3 0.331 4.281 3.960 -0.017 0.000 0.272 59 G C -0.835 174.085 174.900 0.033 0.000 1.426 59 G CA 0.188 45.333 45.100 0.074 0.000 1.058 59 G HN 0.665 nan 8.290 nan 0.000 0.531 60 S N -1.656 114.054 115.700 0.017 0.000 2.549 60 S HA 0.474 4.934 4.470 -0.017 0.000 0.280 60 S C 0.657 175.257 174.600 0.000 0.000 1.109 60 S CA -0.247 57.958 58.200 0.009 0.000 0.905 60 S CB 1.825 65.032 63.200 0.013 0.000 1.081 60 S HN 0.860 nan 8.310 nan 0.000 0.477 61 I N -1.754 118.816 120.570 -0.001 0.000 2.556 61 I HA 0.325 4.485 4.170 -0.017 0.000 0.251 61 I C 0.642 176.758 176.117 -0.001 0.000 1.105 61 I CA 0.347 61.645 61.300 -0.002 0.000 1.436 61 I CB -0.119 37.879 38.000 -0.002 0.000 1.139 61 I HN 0.504 nan 8.210 nan 0.000 0.438 62 D N 3.706 124.105 120.400 -0.001 0.000 2.608 62 D HA 0.061 4.691 4.640 -0.017 0.000 0.224 62 D C 0.107 176.407 176.300 -0.001 0.000 1.123 62 D CA -0.203 53.796 54.000 -0.002 0.000 1.030 62 D CB 0.036 40.834 40.800 -0.004 0.000 1.093 62 D HN 0.360 nan 8.370 nan 0.000 0.497 63 R N 0.424 120.924 120.500 -0.000 0.000 2.569 63 R HA -0.257 4.073 4.340 -0.017 0.000 0.212 63 R C -0.481 175.819 176.300 0.001 0.000 0.741 63 R CA 0.545 56.645 56.100 -0.000 0.000 0.499 63 R CB -1.680 28.619 30.300 -0.001 0.000 1.224 63 R HN 0.132 nan 8.270 nan 0.000 0.522 64 N N -0.120 118.582 118.700 0.003 0.000 2.741 64 N HA 0.430 5.160 4.740 -0.017 0.000 0.310 64 N C 0.880 176.395 175.510 0.009 0.000 1.295 64 N CA -0.706 52.346 53.050 0.004 0.000 0.893 64 N CB 0.645 39.135 38.487 0.004 0.000 1.247 64 N HN 0.151 nan 8.380 nan 0.000 0.596 65 L N -1.510 119.719 121.223 0.010 0.000 2.408 65 L HA 0.469 4.799 4.340 -0.017 0.000 0.215 65 L C 0.394 177.277 176.870 0.021 0.000 1.081 65 L CA 0.531 55.380 54.840 0.015 0.000 0.840 65 L CB -1.032 41.034 42.059 0.012 0.000 1.002 65 L HN 0.150 nan 8.230 nan 0.000 0.468 66 K N 0.828 121.238 120.400 0.017 0.000 2.404 66 K HA 0.094 4.404 4.320 -0.017 0.000 0.271 66 K C -0.388 176.231 176.600 0.031 0.000 1.130 66 K CA 0.466 56.764 56.287 0.018 0.000 1.181 66 K CB -0.345 32.162 32.500 0.012 0.000 0.840 66 K HN 0.403 nan 8.250 nan 0.000 0.483 67 C N 1.545 120.862 119.300 0.029 0.000 3.258 67 C HA 0.279 4.729 4.460 -0.017 0.000 0.376 67 C C -1.160 173.820 174.990 -0.017 0.000 1.869 67 C CA -0.965 58.073 59.018 0.034 0.000 1.189 67 C CB 1.796 29.589 27.740 0.089 0.000 2.230 67 C HN 0.816 nan 8.230 nan 0.000 0.432 68 Q N 0.997 120.748 119.800 -0.081 0.000 2.534 68 Q HA 0.194 4.524 4.340 -0.017 0.000 0.223 68 Q C 0.222 176.181 176.000 -0.069 0.000 1.239 68 Q CA 0.845 56.590 55.803 -0.097 0.000 0.936 68 Q CB -0.528 28.112 28.738 -0.164 0.000 1.457 68 Q HN 0.976 nan 8.270 nan 0.000 0.547 69 T N -0.568 113.967 114.554 -0.030 0.000 4.700 69 T HA -0.225 4.115 4.350 -0.017 0.000 0.326 69 T C 0.338 175.040 174.700 0.003 0.000 0.923 69 T CA 0.967 63.060 62.100 -0.012 0.000 2.025 69 T CB -2.619 66.240 68.868 -0.014 0.000 2.058 69 T HN 0.753 nan 8.240 nan 0.000 0.896 70 c N 2.148 120.757 118.600 0.015 0.000 2.610 70 c HA 0.281 4.842 4.570 -0.017 0.000 0.382 70 c C 1.830 175.943 174.090 0.038 0.000 1.287 70 c CA -0.402 55.959 56.329 0.054 0.000 1.640 70 c CB -0.257 42.324 42.510 0.117 0.000 2.335 70 c HN 0.557 nan 8.230 nan 0.000 0.577 71 Q N 1.661 121.479 119.800 0.030 0.000 1.982 71 Q HA 0.064 4.394 4.340 -0.017 0.000 0.705 71 Q C 1.587 177.602 176.000 0.025 0.000 0.979 71 Q CA 0.557 56.373 55.803 0.023 0.000 0.728 71 Q CB 0.047 28.796 28.738 0.018 0.000 3.346 71 Q HN 0.704 nan 8.270 nan 0.000 0.253 72 E N -1.425 118.787 120.200 0.021 0.000 4.201 72 E HA -0.317 4.023 4.350 -0.017 0.000 0.197 72 E C 0.534 177.144 176.600 0.015 0.000 1.283 72 E CA 1.946 58.358 56.400 0.020 0.000 2.240 72 E CB -1.685 28.030 29.700 0.025 0.000 1.878 72 E HN 0.666 nan 8.360 nan 0.000 0.315 73 G N -0.479 108.331 108.800 0.018 0.000 2.353 73 G HA2 0.074 4.024 3.960 -0.017 0.000 0.615 73 G HA3 0.074 4.024 3.960 -0.017 0.000 0.615 73 G C 0.442 175.350 174.900 0.013 0.000 1.280 73 G CA 0.416 45.524 45.100 0.013 0.000 1.000 73 G HN 0.443 nan 8.290 nan 0.000 0.516 74 M N 0.102 119.706 119.600 0.006 0.000 2.633 74 M HA 0.281 4.751 4.480 -0.017 0.000 0.226 74 M C 1.112 177.410 176.300 -0.004 0.000 1.137 74 M CA 1.195 56.495 55.300 -0.001 0.000 1.020 74 M CB -0.245 32.352 32.600 -0.005 0.000 1.675 74 M HN 0.482 nan 8.290 nan 0.000 0.500 75 N N 0.829 119.530 118.700 0.000 0.000 2.376 75 N HA -0.130 4.600 4.740 -0.017 0.000 0.177 75 N C 1.524 177.036 175.510 0.002 0.000 1.024 75 N CA 1.177 54.227 53.050 -0.000 0.000 0.893 75 N CB 0.394 38.881 38.487 0.001 0.000 0.980 75 N HN 0.526 nan 8.380 nan 0.000 0.439 76 E N 0.128 120.332 120.200 0.007 0.000 2.357 76 E HA 0.092 4.432 4.350 -0.017 0.000 0.202 76 E C -0.063 176.543 176.600 0.008 0.000 0.855 76 E CA -0.078 56.329 56.400 0.011 0.000 1.048 76 E CB -0.334 29.377 29.700 0.019 0.000 1.037 76 E HN 0.155 nan 8.360 nan 0.000 0.499 77 c N 4.217 122.826 118.600 0.015 0.000 2.677 77 c HA 0.236 4.796 4.570 -0.017 0.000 0.398 77 c C -1.379 172.669 174.090 -0.070 0.000 1.378 77 c CA -0.865 55.472 56.329 0.013 0.000 1.543 77 c CB 0.146 42.700 42.510 0.073 0.000 2.356 77 c HN 0.404 nan 8.230 nan 0.000 0.609 78 P HA 0.275 nan 4.420 nan 0.000 0.261 78 P C 0.342 177.512 177.300 -0.217 0.000 1.268 78 P CA 0.864 63.892 63.100 -0.119 0.000 0.833 78 P CB 0.066 31.732 31.700 -0.056 0.000 1.231 79 G N 0.698 109.215 108.800 -0.471 0.000 2.770 79 G HA2 0.035 3.986 3.960 -0.017 0.000 0.686 79 G HA3 0.035 3.986 3.960 -0.017 0.000 0.686 79 G C -1.679 172.848 174.900 -0.622 0.000 1.180 79 G CA -1.007 43.744 45.100 -0.582 0.000 0.767 79 G HN 0.427 nan 8.290 nan 0.000 0.646 80 H N -0.058 118.999 119.070 -0.021 0.000 2.840 80 H HA 0.601 5.147 4.556 -0.017 0.000 0.340 80 H C -0.315 175.041 175.328 0.047 0.000 1.004 80 H CA -1.227 54.863 56.048 0.069 0.000 1.288 80 H CB 0.713 30.515 29.762 0.066 0.000 1.607 80 H HN 0.482 nan 8.280 nan 0.000 0.522 81 F N 1.802 121.823 119.950 0.117 0.000 2.607 81 F HA 0.334 4.851 4.527 -0.016 0.000 0.374 81 F C 1.514 177.358 175.800 0.074 0.000 1.104 81 F CA 1.187 59.225 58.000 0.063 0.000 1.296 81 F CB 0.629 39.642 39.000 0.021 0.000 1.085 81 F HN 0.782 nan 8.300 nan 0.000 0.584 82 G N 1.615 110.516 108.800 0.168 0.000 2.552 82 G HA2 0.542 4.492 3.960 -0.017 0.000 0.324 82 G HA3 0.542 4.492 3.960 -0.017 0.000 0.324 82 G C -1.677 173.339 174.900 0.193 0.000 1.217 82 G CA -0.746 44.448 45.100 0.156 0.000 0.989 82 G HN 0.821 nan 8.290 nan 0.000 0.490 83 H N -1.507 117.575 119.070 0.021 0.000 2.569 83 H HA 0.730 5.276 4.556 -0.017 0.000 0.357 83 H C -1.133 174.178 175.328 -0.028 0.000 1.153 83 H CA -1.200 54.849 56.048 0.002 0.000 1.193 83 H CB 2.270 32.030 29.762 -0.003 0.000 1.602 83 H HN 0.396 nan 8.280 nan 0.000 0.523 84 I N 2.759 123.257 120.570 -0.121 0.000 2.406 84 I HA 0.219 4.379 4.170 -0.017 0.000 0.290 84 I C -0.837 175.221 176.117 -0.098 0.000 0.999 84 I CA -0.573 60.612 61.300 -0.191 0.000 1.124 84 I CB 1.532 39.448 38.000 -0.139 0.000 1.289 84 I HN 0.844 nan 8.210 nan 0.000 0.441 85 D N 7.638 127.960 120.400 -0.130 0.000 2.308 85 D HA 0.372 5.002 4.640 -0.017 0.000 0.251 85 D C -0.465 175.819 176.300 -0.026 0.000 1.127 85 D CA 0.082 54.060 54.000 -0.036 0.000 0.876 85 D CB 1.420 42.193 40.800 -0.044 0.000 1.176 85 D HN 0.360 nan 8.370 nan 0.000 0.446 86 L N 2.187 123.414 121.223 0.007 0.000 2.313 86 L HA 0.406 4.736 4.340 -0.017 0.000 0.283 86 L C 1.283 178.160 176.870 0.013 0.000 1.013 86 L CA -0.655 54.191 54.840 0.011 0.000 0.816 86 L CB 1.883 43.959 42.059 0.027 0.000 1.236 86 L HN 0.412 nan 8.230 nan 0.000 0.419 87 A N 3.823 126.647 122.820 0.008 0.000 1.832 87 A HA 0.029 4.339 4.320 -0.017 0.000 0.214 87 A C 0.866 178.458 177.584 0.013 0.000 1.200 87 A CA 1.098 53.141 52.037 0.009 0.000 0.610 87 A CB 0.007 19.011 19.000 0.007 0.000 0.842 87 A HN 0.619 nan 8.150 nan 0.000 0.444 88 K N 0.723 121.132 120.400 0.015 0.000 2.265 88 K HA 0.406 4.716 4.320 -0.017 0.000 0.267 88 K C -2.750 173.857 176.600 0.012 0.000 0.994 88 K CA -2.094 54.199 56.287 0.011 0.000 0.860 88 K CB 1.179 33.686 32.500 0.011 0.000 1.099 88 K HN 0.118 nan 8.250 nan 0.000 0.448 89 P HA -0.034 nan 4.420 nan 0.000 0.269 89 P C -0.755 176.524 177.300 -0.036 0.000 1.211 89 P CA -0.231 62.865 63.100 -0.008 0.000 0.781 89 P CB 0.561 32.247 31.700 -0.023 0.000 0.877 90 V N 1.795 121.696 119.914 -0.022 0.000 2.971 90 V HA 0.333 4.443 4.120 -0.017 0.000 0.309 90 V C -0.135 175.972 176.094 0.022 0.000 1.130 90 V CA -0.635 61.668 62.300 0.005 0.000 0.964 90 V CB 1.565 33.445 31.823 0.095 0.000 1.029 90 V HN 0.358 nan 8.190 nan 0.000 0.427 91 F N 2.930 122.946 119.950 0.109 0.000 2.535 91 F HA 0.228 4.745 4.527 -0.017 0.000 0.332 91 F C 0.773 176.657 175.800 0.140 0.000 1.208 91 F CA 0.484 58.565 58.000 0.134 0.000 1.330 91 F CB 0.201 39.260 39.000 0.097 0.000 1.167 91 F HN 0.462 nan 8.300 nan 0.000 0.597 92 H N 0.464 119.716 119.070 0.303 0.000 2.492 92 H HA 0.309 4.855 4.556 -0.017 0.000 0.345 92 H C 0.510 175.819 175.328 -0.032 0.000 1.136 92 H CA -0.561 55.561 56.048 0.122 0.000 1.202 92 H CB 1.850 31.729 29.762 0.196 0.000 1.524 92 H HN 0.425 nan 8.280 nan 0.000 0.506 93 V N 3.621 123.398 119.914 -0.229 0.000 2.270 93 V HA -0.124 3.986 4.120 -0.017 0.000 0.245 93 V C 2.385 178.322 176.094 -0.261 0.000 1.043 93 V CA 1.997 64.175 62.300 -0.203 0.000 1.014 93 V CB -0.810 30.863 31.823 -0.249 0.000 0.645 93 V HN 0.909 nan 8.190 nan 0.000 0.447 94 G N -1.581 106.850 108.800 -0.615 0.000 2.776 94 G HA2 -0.067 3.883 3.960 -0.017 0.000 0.209 94 G HA3 -0.067 3.883 3.960 -0.017 0.000 0.209 94 G C 1.062 175.493 174.900 -0.783 0.000 1.145 94 G CA 0.182 44.629 45.100 -1.088 0.000 0.791 94 G HN 0.566 nan 8.290 nan 0.000 0.530 95 F N -0.664 119.178 119.950 -0.179 0.000 2.706 95 F HA 0.321 4.838 4.527 -0.016 0.000 0.313 95 F C 1.968 177.759 175.800 -0.014 0.000 1.096 95 F CA -0.897 57.040 58.000 -0.106 0.000 1.219 95 F CB 0.442 39.382 39.000 -0.100 0.000 1.051 95 F HN -0.043 nan 8.300 nan 0.000 0.568 96 I N 1.275 121.913 120.570 0.113 0.000 2.113 96 I HA -0.371 3.789 4.170 -0.017 0.000 0.242 96 I C 2.754 178.906 176.117 0.059 0.000 1.064 96 I CA 1.865 63.203 61.300 0.064 0.000 1.320 96 I CB -1.316 36.670 38.000 -0.024 0.000 1.028 96 I HN 0.155 nan 8.210 nan 0.000 0.406 97 A N 0.251 123.093 122.820 0.037 0.000 1.883 97 A HA -0.251 4.059 4.320 -0.017 0.000 0.217 97 A C 2.426 180.028 177.584 0.030 0.000 1.186 97 A CA 1.888 53.935 52.037 0.018 0.000 0.624 97 A CB -0.530 18.470 19.000 -0.000 0.000 0.822 97 A HN 0.380 nan 8.150 nan 0.000 0.444 98 K N -0.762 119.678 120.400 0.067 0.000 2.062 98 K HA 0.019 4.329 4.320 -0.017 0.000 0.205 98 K C 1.884 178.550 176.600 0.110 0.000 1.051 98 K CA 1.222 57.545 56.287 0.060 0.000 0.941 98 K CB -0.349 32.154 32.500 0.005 0.000 0.719 98 K HN 0.560 nan 8.250 nan 0.000 0.440 99 I N 1.510 122.169 120.570 0.149 0.000 2.151 99 I HA -0.360 3.800 4.170 -0.017 0.000 0.243 99 I C 2.572 178.826 176.117 0.228 0.000 1.080 99 I CA 1.289 62.719 61.300 0.216 0.000 1.339 99 I CB -0.351 37.826 38.000 0.295 0.000 1.039 99 I HN 0.093 nan 8.210 nan 0.000 0.409 100 K N 1.517 122.017 120.400 0.166 0.000 2.020 100 K HA -0.215 4.096 4.320 -0.017 0.000 0.212 100 K C 2.094 178.815 176.600 0.201 0.000 1.050 100 K CA 1.804 58.184 56.287 0.154 0.000 0.929 100 K CB -0.249 32.310 32.500 0.098 0.000 0.714 100 K HN 0.328 nan 8.250 nan 0.000 0.443 101 K N 0.243 120.726 120.400 0.138 0.000 2.147 101 K HA -0.098 4.212 4.320 -0.017 0.000 0.205 101 K C 2.057 178.865 176.600 0.347 0.000 1.049 101 K CA 1.137 57.485 56.287 0.103 0.000 0.936 101 K CB 0.013 32.416 32.500 -0.162 0.000 0.722 101 K HN -0.024 nan 8.250 nan 0.000 0.446 102 V N 0.478 120.592 119.914 0.332 0.000 2.407 102 V HA -0.216 3.894 4.120 -0.017 0.000 0.245 102 V C 2.117 178.436 176.094 0.374 0.000 1.041 102 V CA 1.315 63.829 62.300 0.356 0.000 1.040 102 V CB -0.278 31.666 31.823 0.201 0.000 0.671 102 V HN 0.374 nan 8.190 nan 0.000 0.455 103 C N 0.114 119.626 119.300 0.354 0.000 2.539 103 C HA 0.034 4.484 4.460 -0.017 0.000 0.271 103 C C 2.167 177.281 174.990 0.208 0.000 1.412 103 C CA 0.202 59.381 59.018 0.269 0.000 1.729 103 C CB -1.462 26.410 27.740 0.219 0.000 1.739 103 C HN 0.590 nan 8.230 nan 0.000 0.570 104 E N -1.466 118.890 120.200 0.260 0.000 2.474 104 E HA -0.020 4.320 4.350 -0.017 0.000 0.195 104 E C 1.681 178.403 176.600 0.204 0.000 1.039 104 E CA 0.135 56.675 56.400 0.232 0.000 0.881 104 E CB 0.185 30.090 29.700 0.342 0.000 0.970 104 E HN 0.668 nan 8.360 nan 0.000 0.486 105 C N 0.044 119.488 119.300 0.239 0.000 3.123 105 C HA 0.289 4.739 4.460 -0.017 0.000 0.399 105 C C 0.336 175.414 174.990 0.146 0.000 1.320 105 C CA -0.162 58.970 59.018 0.190 0.000 1.949 105 C CB 0.363 28.255 27.740 0.252 0.000 2.692 105 C HN -0.070 nan 8.230 nan 0.000 0.623 106 V N 1.966 121.981 119.914 0.168 0.000 2.638 106 V HA 0.577 4.687 4.120 -0.017 0.000 0.306 106 V C 0.061 176.206 176.094 0.084 0.000 1.052 106 V CA -0.399 61.974 62.300 0.123 0.000 0.885 106 V CB 1.056 32.978 31.823 0.165 0.000 0.999 106 V HN 0.604 nan 8.190 nan 0.000 0.424 107 C N 3.797 123.123 119.300 0.044 0.000 3.277 107 C HA 0.947 5.398 4.460 -0.017 0.000 0.367 107 C C 0.000 174.993 174.990 0.004 0.000 1.949 107 C CA -0.788 58.253 59.018 0.038 0.000 1.428 107 C CB 1.674 29.457 27.740 0.072 0.000 2.409 107 C HN 1.171 nan 8.230 nan 0.000 0.460 108 M N 1.226 120.845 119.600 0.032 0.000 7.319 108 M HA -0.161 4.309 4.480 -0.017 0.000 0.157 108 M C 0.250 176.544 176.300 -0.009 0.000 0.480 108 M CA 1.534 56.825 55.300 -0.016 0.000 1.311 108 M CB -0.867 31.663 32.600 -0.116 0.000 0.421 108 M HN 1.241 nan 8.290 nan 0.000 0.200 109 H N 0.588 119.650 119.070 -0.014 0.000 2.505 109 H HA 0.303 4.850 4.556 -0.017 0.000 0.289 109 H C 1.476 176.764 175.328 -0.065 0.000 1.052 109 H CA 0.461 56.494 56.048 -0.026 0.000 1.156 109 H CB -0.338 29.415 29.762 -0.015 0.000 1.507 109 H HN 0.773 nan 8.280 nan 0.000 0.548 110 C N -0.874 118.308 119.300 -0.195 0.000 2.628 110 C HA 0.584 5.035 4.460 -0.017 0.000 0.393 110 C C 1.325 176.235 174.990 -0.132 0.000 1.328 110 C CA 0.426 59.329 59.018 -0.191 0.000 2.079 110 C CB -0.205 27.403 27.740 -0.221 0.000 2.663 110 C HN 0.734 nan 8.230 nan 0.000 0.557 111 G N 1.787 110.535 108.800 -0.086 0.000 2.788 111 G HA2 -0.002 3.948 3.960 -0.017 0.000 0.249 111 G HA3 -0.002 3.948 3.960 -0.017 0.000 0.249 111 G C -0.766 174.111 174.900 -0.039 0.000 1.008 111 G CA 0.494 45.570 45.100 -0.039 0.000 1.220 111 G HN 1.023 nan 8.290 nan 0.000 0.506 112 K N 0.642 121.023 120.400 -0.033 0.000 2.571 112 K HA 0.630 4.940 4.320 -0.017 0.000 0.289 112 K C 0.109 176.703 176.600 -0.010 0.000 1.028 112 K CA -1.175 55.090 56.287 -0.037 0.000 0.895 112 K CB 1.343 33.815 32.500 -0.046 0.000 1.534 112 K HN 0.304 nan 8.250 nan 0.000 0.421 113 L N 3.349 124.566 121.223 -0.009 0.000 2.456 113 L HA 0.078 4.408 4.340 -0.017 0.000 0.272 113 L C 1.282 178.160 176.870 0.014 0.000 1.189 113 L CA 0.067 54.915 54.840 0.013 0.000 0.846 113 L CB 0.482 42.549 42.059 0.013 0.000 1.111 113 L HN 0.659 nan 8.230 nan 0.000 0.475 114 L N 3.884 125.120 121.223 0.022 0.000 2.056 114 L HA -0.052 4.278 4.340 -0.017 0.000 0.207 114 L C 0.225 177.106 176.870 0.018 0.000 1.078 114 L CA 1.083 55.932 54.840 0.015 0.000 0.749 114 L CB -0.256 41.812 42.059 0.015 0.000 0.901 114 L HN 0.450 nan 8.230 nan 0.000 0.433 115 L N -0.814 120.423 121.223 0.023 0.000 2.386 115 L HA 0.365 4.695 4.340 -0.017 0.000 0.271 115 L C -0.958 175.936 176.870 0.039 0.000 0.993 115 L CA -0.730 54.130 54.840 0.034 0.000 0.819 115 L CB 2.141 44.215 42.059 0.024 0.000 1.294 115 L HN -0.128 nan 8.230 nan 0.000 0.414 116 D N 0.387 120.829 120.400 0.070 0.000 2.507 116 D HA 0.155 4.785 4.640 -0.017 0.000 0.280 116 D C 0.636 176.921 176.300 -0.024 0.000 1.219 116 D CA -0.389 53.631 54.000 0.033 0.000 1.085 116 D CB 0.668 41.526 40.800 0.097 0.000 1.134 116 D HN 0.446 nan 8.370 nan 0.000 0.583 117 E N -0.684 119.433 120.200 -0.138 0.000 2.515 117 E HA -0.104 4.236 4.350 -0.017 0.000 0.201 117 E C 1.358 177.868 176.600 -0.151 0.000 1.071 117 E CA 0.579 56.892 56.400 -0.145 0.000 0.880 117 E CB -0.051 29.547 29.700 -0.171 0.000 0.828 117 E HN 0.341 nan 8.360 nan 0.000 0.540 118 H N 0.328 119.397 119.070 -0.001 0.000 2.293 118 H HA -0.041 4.505 4.556 -0.017 0.000 0.300 118 H C 1.141 176.468 175.328 -0.003 0.000 1.082 118 H CA 0.828 56.874 56.048 -0.002 0.000 1.308 118 H CB -0.359 29.400 29.762 -0.005 0.000 1.375 118 H HN 0.147 nan 8.280 nan 0.000 0.495 119 N N 1.999 120.770 118.700 0.118 0.000 2.407 119 N HA -0.105 4.625 4.740 -0.017 0.000 0.250 119 N C 0.892 176.422 175.510 0.033 0.000 1.236 119 N CA 0.172 53.257 53.050 0.059 0.000 0.879 119 N CB 0.932 39.443 38.487 0.040 0.000 1.088 119 N HN 0.282 nan 8.380 nan 0.000 0.450 120 E N 3.014 123.228 120.200 0.024 0.000 2.358 120 E HA -0.057 4.283 4.350 -0.017 0.000 0.195 120 E C 1.288 177.893 176.600 0.009 0.000 1.010 120 E CA 0.376 56.785 56.400 0.015 0.000 0.856 120 E CB 0.238 29.945 29.700 0.013 0.000 0.795 120 E HN 0.602 nan 8.360 nan 0.000 0.504 121 L N -0.418 120.809 121.223 0.007 0.000 2.529 121 L HA 0.105 4.435 4.340 -0.017 0.000 0.223 121 L C 1.771 178.644 176.870 0.004 0.000 1.113 121 L CA 0.099 54.941 54.840 0.002 0.000 0.861 121 L CB 0.132 42.188 42.059 -0.005 0.000 1.012 121 L HN 0.019 nan 8.230 nan 0.000 0.461 122 M N -1.288 118.316 119.600 0.007 0.000 2.495 122 M HA 0.069 4.539 4.480 -0.017 0.000 0.237 122 M C 1.739 178.042 176.300 0.005 0.000 1.131 122 M CA 0.808 56.113 55.300 0.008 0.000 1.032 122 M CB -0.016 32.590 32.600 0.009 0.000 1.513 122 M HN -0.046 nan 8.290 nan 0.000 0.488 123 R N -1.250 119.252 120.500 0.004 0.000 2.254 123 R HA 0.090 4.420 4.340 -0.017 0.000 0.195 123 R C 1.279 177.584 176.300 0.008 0.000 0.957 123 R CA 0.622 56.723 56.100 0.002 0.000 1.024 123 R CB 0.227 30.527 30.300 -0.000 0.000 0.952 123 R HN 0.420 nan 8.270 nan 0.000 0.484 124 Q N -0.943 118.863 119.800 0.011 0.000 2.360 124 Q HA 0.184 4.515 4.340 -0.017 0.000 0.202 124 Q C 1.157 177.169 176.000 0.020 0.000 0.915 124 Q CA 0.530 56.341 55.803 0.014 0.000 0.943 124 Q CB 1.092 29.837 28.738 0.012 0.000 1.064 124 Q HN 0.236 nan 8.270 nan 0.000 0.511 125 A N -0.161 122.672 122.820 0.022 0.000 1.988 125 A HA 0.152 4.462 4.320 -0.017 0.000 0.201 125 A C 1.509 179.117 177.584 0.040 0.000 1.410 125 A CA -0.081 51.975 52.037 0.032 0.000 0.832 125 A CB -0.167 18.851 19.000 0.030 0.000 0.981 125 A HN 0.245 nan 8.150 nan 0.000 0.492 126 L N -0.024 121.219 121.223 0.033 0.000 2.642 126 L HA -0.056 4.274 4.340 -0.017 0.000 0.236 126 L C 2.089 178.980 176.870 0.035 0.000 1.169 126 L CA 0.820 55.682 54.840 0.036 0.000 0.851 126 L CB -0.019 42.053 42.059 0.021 0.000 0.968 126 L HN 0.514 nan 8.230 nan 0.000 0.453 127 A N -1.128 121.711 122.820 0.032 0.000 2.340 127 A HA 0.239 4.549 4.320 -0.017 0.000 0.213 127 A C 0.806 178.410 177.584 0.034 0.000 1.299 127 A CA -0.401 51.654 52.037 0.030 0.000 0.994 127 A CB 0.248 19.261 19.000 0.021 0.000 1.132 127 A HN 0.151 nan 8.150 nan 0.000 0.519 128 I N 1.340 121.933 120.570 0.037 0.000 2.815 128 I HA 0.006 4.166 4.170 -0.017 0.000 0.291 128 I C 0.600 176.743 176.117 0.043 0.000 1.209 128 I CA 0.216 61.539 61.300 0.039 0.000 1.431 128 I CB 0.553 38.578 38.000 0.041 0.000 1.351 128 I HN 0.220 nan 8.210 nan 0.000 0.585 129 K N 4.684 125.107 120.400 0.039 0.000 2.149 129 K HA 0.154 4.464 4.320 -0.017 0.000 0.245 129 K C -0.534 176.091 176.600 0.042 0.000 1.024 129 K CA -0.039 56.271 56.287 0.038 0.000 0.899 129 K CB 0.399 32.919 32.500 0.033 0.000 1.038 129 K HN 0.734 nan 8.250 nan 0.000 0.496 130 D N -0.818 119.605 120.400 0.039 0.000 10.822 130 D HA -0.135 4.495 4.640 -0.017 0.000 0.356 130 D C -0.633 175.694 176.300 0.045 0.000 3.123 130 D CA 0.708 54.731 54.000 0.039 0.000 2.621 130 D CB -0.465 40.359 40.800 0.040 0.000 1.197 130 D HN 0.411 nan 8.370 nan 0.000 0.942 131 S N -0.121 115.599 115.700 0.034 0.000 2.629 131 S HA 0.148 4.608 4.470 -0.017 0.000 0.236 131 S C 1.206 175.830 174.600 0.039 0.000 1.010 131 S CA -0.201 58.019 58.200 0.033 0.000 0.981 131 S CB 0.515 63.708 63.200 -0.011 0.000 0.919 131 S HN 0.271 nan 8.310 nan 0.000 0.514 132 K N 1.377 121.808 120.400 0.051 0.000 2.216 132 K HA 0.177 4.487 4.320 -0.017 0.000 0.207 132 K C 1.361 178.034 176.600 0.121 0.000 1.041 132 K CA 0.545 56.874 56.287 0.070 0.000 0.966 132 K CB -0.033 32.489 32.500 0.038 0.000 0.955 132 K HN -0.030 nan 8.250 nan 0.000 0.468 133 K N 1.333 121.788 120.400 0.091 0.000 2.288 133 K HA -0.046 4.264 4.320 -0.017 0.000 0.201 133 K C 1.954 178.614 176.600 0.100 0.000 1.048 133 K CA 0.739 57.079 56.287 0.089 0.000 0.956 133 K CB -0.012 32.528 32.500 0.065 0.000 0.746 133 K HN 0.077 nan 8.250 nan 0.000 0.461 134 R N 0.230 120.800 120.500 0.115 0.000 2.062 134 R HA -0.119 4.211 4.340 -0.017 0.000 0.231 134 R C 1.981 178.382 176.300 0.168 0.000 1.136 134 R CA 1.428 57.602 56.100 0.123 0.000 0.948 134 R CB -0.366 30.005 30.300 0.119 0.000 0.845 134 R HN 0.252 nan 8.270 nan 0.000 0.430 135 F N 1.288 121.275 119.950 0.061 0.000 2.186 135 F HA 0.067 4.584 4.527 -0.016 0.000 0.299 135 F C 1.805 177.673 175.800 0.113 0.000 1.090 135 F CA 1.238 59.287 58.000 0.083 0.000 1.307 135 F CB -0.275 38.756 39.000 0.052 0.000 1.019 135 F HN 0.130 nan 8.300 nan 0.000 0.489 136 A N -0.516 122.349 122.820 0.075 0.000 2.258 136 A HA 0.389 4.699 4.320 -0.017 0.000 0.206 136 A C 1.815 179.425 177.584 0.044 0.000 1.222 136 A CA 0.960 53.011 52.037 0.024 0.000 0.822 136 A CB -1.231 17.826 19.000 0.095 0.000 0.804 136 A HN 0.477 nan 8.150 nan 0.000 0.483 137 A N -0.863 121.966 122.820 0.016 0.000 2.066 137 A HA 0.348 4.658 4.320 -0.017 0.000 0.198 137 A C 1.682 179.264 177.584 -0.004 0.000 1.405 137 A CA 0.428 52.479 52.037 0.023 0.000 0.973 137 A CB -0.109 18.910 19.000 0.031 0.000 1.026 137 A HN 0.342 nan 8.150 nan 0.000 0.474 138 I N -1.639 118.916 120.570 -0.025 0.000 2.202 138 I HA -0.221 3.939 4.170 -0.017 0.000 0.242 138 I C 2.365 178.461 176.117 -0.034 0.000 1.091 138 I CA 1.626 62.913 61.300 -0.023 0.000 1.368 138 I CB -0.323 37.682 38.000 0.008 0.000 1.058 138 I HN 0.685 nan 8.210 nan 0.000 0.410 139 W N 2.107 123.217 121.300 -0.317 0.000 2.354 139 W HA -0.229 4.422 4.660 -0.016 0.000 0.315 139 W C 2.503 178.931 176.519 -0.151 0.000 1.206 139 W CA 2.283 59.462 57.345 -0.276 0.000 1.290 139 W CB -0.642 28.539 29.460 -0.465 0.000 1.152 139 W HN -0.020 nan 8.180 nan 0.000 0.489 140 T N 1.299 115.770 114.554 -0.137 0.000 2.946 140 T HA -0.138 4.202 4.350 -0.017 0.000 0.271 140 T C 1.253 175.777 174.700 -0.295 0.000 1.104 140 T CA 1.277 63.170 62.100 -0.346 0.000 1.114 140 T CB -0.329 68.513 68.868 -0.043 0.000 0.867 140 T HN 0.161 nan 8.240 nan 0.000 0.513 141 L N 0.774 121.876 121.223 -0.200 0.000 3.202 141 L HA 0.346 4.676 4.340 -0.017 0.000 0.278 141 L C 1.060 177.852 176.870 -0.130 0.000 1.268 141 L CA -0.338 54.417 54.840 -0.142 0.000 1.034 141 L CB 0.671 42.685 42.059 -0.076 0.000 1.407 141 L HN 0.456 nan 8.230 nan 0.000 0.581 142 C N -4.202 114.986 119.300 -0.185 0.000 4.095 142 C HA 0.135 4.585 4.460 -0.017 0.000 0.327 142 C C 2.012 176.898 174.990 -0.173 0.000 1.811 142 C CA -0.279 58.662 59.018 -0.129 0.000 1.785 142 C CB -0.558 27.147 27.740 -0.059 0.000 3.120 142 C HN 0.517 nan 8.230 nan 0.000 0.621 143 K N 1.731 121.929 120.400 -0.336 0.000 2.155 143 K HA 0.006 4.316 4.320 -0.017 0.000 0.203 143 K C 1.494 177.966 176.600 -0.213 0.000 1.052 143 K CA 2.183 58.252 56.287 -0.363 0.000 0.948 143 K CB -0.707 31.352 32.500 -0.736 0.000 0.728 143 K HN 0.375 nan 8.250 nan 0.000 0.448 144 T N 1.158 115.595 114.554 -0.195 0.000 2.985 144 T HA 0.010 4.350 4.350 -0.017 0.000 0.266 144 T C 0.565 175.220 174.700 -0.075 0.000 1.076 144 T CA 0.646 62.673 62.100 -0.122 0.000 1.135 144 T CB 0.025 68.824 68.868 -0.115 0.000 0.890 144 T HN 0.190 nan 8.240 nan 0.000 0.480 145 K N 1.920 122.277 120.400 -0.073 0.000 2.121 145 K HA 0.277 4.587 4.320 -0.017 0.000 0.235 145 K C 0.681 177.271 176.600 -0.018 0.000 1.200 145 K CA -0.143 56.120 56.287 -0.039 0.000 1.115 145 K CB 0.018 32.497 32.500 -0.035 0.000 1.474 145 K HN 0.385 nan 8.250 nan 0.000 0.295 146 M N 0.862 120.459 119.600 -0.005 0.000 2.447 146 M HA -0.055 4.415 4.480 -0.017 0.000 0.264 146 M C 0.885 177.213 176.300 0.047 0.000 1.095 146 M CA 0.356 55.672 55.300 0.027 0.000 1.125 146 M CB 0.024 32.644 32.600 0.034 0.000 1.389 146 M HN 0.153 nan 8.290 nan 0.000 0.459 147 V N -1.443 118.487 119.914 0.027 0.000 2.963 147 V HA 0.056 4.166 4.120 -0.017 0.000 0.306 147 V C -0.106 175.998 176.094 0.016 0.000 1.077 147 V CA -1.347 60.966 62.300 0.023 0.000 1.124 147 V CB 0.964 32.792 31.823 0.008 0.000 0.987 147 V HN 0.279 nan 8.190 nan 0.000 0.487 148 C N 4.170 123.475 119.300 0.009 0.000 2.298 148 C HA 0.480 4.930 4.460 -0.017 0.000 0.323 148 C C 0.286 175.267 174.990 -0.015 0.000 1.284 148 C CA -0.399 58.616 59.018 -0.004 0.000 1.577 148 C CB -0.212 27.521 27.740 -0.011 0.000 2.249 148 C HN 1.064 nan 8.230 nan 0.000 0.497 149 E N 3.172 123.361 120.200 -0.017 0.000 2.283 149 E HA 0.177 4.517 4.350 -0.017 0.000 0.278 149 E C 0.620 177.202 176.600 -0.030 0.000 1.027 149 E CA -0.087 56.300 56.400 -0.022 0.000 0.843 149 E CB 1.474 31.162 29.700 -0.020 0.000 1.062 149 E HN 0.724 nan 8.360 nan 0.000 0.401 150 T N 1.908 116.443 114.554 -0.032 0.000 2.770 150 T HA -0.029 4.311 4.350 -0.017 0.000 0.258 150 T C 0.133 174.808 174.700 -0.041 0.000 1.039 150 T CA 0.769 62.847 62.100 -0.035 0.000 1.143 150 T CB 0.144 68.993 68.868 -0.032 0.000 0.866 150 T HN 0.432 nan 8.240 nan 0.000 0.428 151 D N -0.459 119.915 120.400 -0.044 0.000 2.602 151 D HA 0.479 5.109 4.640 -0.017 0.000 0.236 151 D C -1.525 174.736 176.300 -0.066 0.000 1.209 151 D CA -0.458 53.507 54.000 -0.059 0.000 0.831 151 D CB 3.130 43.896 40.800 -0.056 0.000 1.478 151 D HN -0.000 nan 8.370 nan 0.000 0.438 152 V N 1.745 121.599 119.914 -0.100 0.000 2.483 152 V HA 0.412 4.522 4.120 -0.017 0.000 0.295 152 V C -2.221 173.813 176.094 -0.101 0.000 1.035 152 V CA -1.820 60.419 62.300 -0.102 0.000 0.896 152 V CB 1.723 33.461 31.823 -0.141 0.000 0.986 152 V HN 0.390 nan 8.190 nan 0.000 0.447 153 P HA 0.005 nan 4.420 nan 0.000 0.268 153 P C -0.281 176.989 177.300 -0.051 0.000 1.189 153 P CA 0.444 63.517 63.100 -0.046 0.000 0.771 153 P CB 0.270 31.954 31.700 -0.025 0.000 0.822 154 S N 0.787 116.465 115.700 -0.036 0.000 2.552 154 S HA -0.028 4.432 4.470 -0.017 0.000 0.289 154 S C 0.297 174.896 174.600 -0.002 0.000 1.304 154 S CA -0.152 58.032 58.200 -0.026 0.000 1.063 154 S CB -0.109 63.082 63.200 -0.015 0.000 0.848 154 S HN 0.440 nan 8.310 nan 0.000 0.499 162 V N -1.953 117.928 119.914 -0.055 0.000 3.093 162 V HA 1.026 5.136 4.120 -0.017 0.000 0.320 162 V C 0.498 176.540 176.094 -0.087 0.000 1.093 162 V CA 0.228 62.487 62.300 -0.068 0.000 1.016 162 V CB 1.544 33.318 31.823 -0.082 0.000 1.096 162 V HN 0.468 nan 8.190 nan 0.000 0.452 163 S N 1.425 117.076 115.700 -0.082 0.000 2.667 163 S HA 0.951 5.411 4.470 -0.017 0.000 0.292 163 S C -0.582 173.976 174.600 -0.071 0.000 1.126 163 S CA -0.811 57.346 58.200 -0.073 0.000 0.881 163 S CB 2.500 65.674 63.200 -0.044 0.000 1.132 163 S HN 1.414 nan 8.310 nan 0.000 0.492 164 R N -0.460 120.009 120.500 -0.053 0.000 2.902 164 R HA 0.697 5.027 4.340 -0.017 0.000 0.264 164 R C -0.162 176.125 176.300 -0.022 0.000 1.059 164 R CA -0.988 55.098 56.100 -0.023 0.000 0.935 164 R CB 0.162 30.458 30.300 -0.006 0.000 1.325 164 R HN 0.869 nan 8.270 nan 0.000 0.438 165 G N -0.160 108.631 108.800 -0.014 0.000 2.356 165 G HA2 0.450 4.400 3.960 -0.017 0.000 0.273 165 G HA3 0.450 4.400 3.960 -0.017 0.000 0.273 165 G C -0.267 174.611 174.900 -0.036 0.000 1.213 165 G CA 0.114 45.198 45.100 -0.026 0.000 0.955 165 G HN 0.717 nan 8.290 nan 0.000 0.454 166 G N -0.161 108.613 108.800 -0.043 0.000 2.569 166 G HA2 0.680 4.630 3.960 -0.017 0.000 0.300 166 G HA3 0.680 4.630 3.960 -0.017 0.000 0.300 166 G C -0.581 174.281 174.900 -0.064 0.000 1.269 166 G CA -0.221 44.850 45.100 -0.049 0.000 0.959 166 G HN 1.452 nan 8.290 nan 0.000 0.478 167 C N -0.898 118.360 119.300 -0.071 0.000 3.170 167 C HA 0.891 5.341 4.460 -0.017 0.000 0.319 167 C C 1.268 176.211 174.990 -0.078 0.000 1.260 167 C CA 0.064 59.025 59.018 -0.095 0.000 1.374 167 C CB 1.400 29.048 27.740 -0.152 0.000 1.739 167 C HN 1.065 nan 8.230 nan 0.000 0.479 168 G N 1.737 110.490 108.800 -0.079 0.000 2.654 168 G HA2 0.097 4.047 3.960 -0.017 0.000 0.215 168 G HA3 0.097 4.047 3.960 -0.017 0.000 0.215 168 G C 0.471 175.325 174.900 -0.077 0.000 1.310 168 G CA 0.408 45.468 45.100 -0.066 0.000 0.866 168 G HN 1.141 nan 8.290 nan 0.000 0.558 169 N N 1.853 120.497 118.700 -0.094 0.000 2.293 169 N HA 0.021 4.751 4.740 -0.017 0.000 0.253 169 N C 0.426 175.892 175.510 -0.074 0.000 1.248 169 N CA 1.001 53.970 53.050 -0.135 0.000 0.845 169 N CB 0.296 38.681 38.487 -0.169 0.000 1.073 169 N HN 0.434 nan 8.380 nan 0.000 0.464 170 T N -1.011 113.506 114.554 -0.061 0.000 2.902 170 T HA 0.224 4.564 4.350 -0.017 0.000 0.287 170 T C 0.047 174.918 174.700 0.286 0.000 1.048 170 T CA -0.721 61.427 62.100 0.080 0.000 0.941 170 T CB 0.879 69.799 68.868 0.087 0.000 1.432 170 T HN 0.620 nan 8.240 nan 0.000 0.586 171 Q N 1.274 121.255 119.800 0.302 0.000 2.282 171 Q HA 0.489 4.819 4.340 -0.017 0.000 0.260 171 Q C -2.573 173.600 176.000 0.288 0.000 0.964 171 Q CA -2.442 53.545 55.803 0.306 0.000 0.880 171 Q CB 1.727 30.550 28.738 0.142 0.000 1.286 171 Q HN 0.469 nan 8.270 nan 0.000 0.445 172 P HA 0.176 nan 4.420 nan 0.000 0.280 172 P C -0.985 176.210 177.300 -0.175 0.000 1.272 172 P CA -0.462 62.429 63.100 -0.348 0.000 0.819 172 P CB 0.856 31.872 31.700 -1.141 0.000 1.122 173 T N 1.610 116.072 114.554 -0.153 0.000 2.855 173 T HA 0.301 4.641 4.350 -0.017 0.000 0.290 173 T C 0.675 175.321 174.700 -0.089 0.000 0.941 173 T CA -0.070 61.982 62.100 -0.081 0.000 1.030 173 T CB -1.105 67.733 68.868 -0.050 0.000 0.935 173 T HN 0.173 nan 8.240 nan 0.000 0.564 174 I N 3.233 123.769 120.570 -0.056 0.000 2.634 174 I HA 0.376 4.537 4.170 -0.017 0.000 0.284 174 I C 0.849 176.963 176.117 -0.004 0.000 1.124 174 I CA -0.253 61.024 61.300 -0.039 0.000 1.417 174 I CB 0.581 38.582 38.000 0.001 0.000 1.396 174 I HN 0.343 nan 8.210 nan 0.000 0.571 175 R N 4.161 124.652 120.500 -0.015 0.000 2.808 175 R HA 0.390 4.720 4.340 -0.017 0.000 0.272 175 R C -1.045 175.248 176.300 -0.012 0.000 0.995 175 R CA -0.995 55.103 56.100 -0.003 0.000 0.917 175 R CB 2.072 32.364 30.300 -0.013 0.000 1.217 175 R HN 0.527 nan 8.270 nan 0.000 0.471 176 K N 1.808 122.204 120.400 -0.007 0.000 2.258 176 K HA 0.140 4.450 4.320 -0.017 0.000 0.284 176 K C -1.457 175.125 176.600 -0.030 0.000 1.051 176 K CA -0.160 56.112 56.287 -0.025 0.000 0.923 176 K CB 0.875 33.365 32.500 -0.016 0.000 1.046 176 K HN 0.425 nan 8.250 nan 0.000 0.474 177 D N 2.824 123.195 120.400 -0.047 0.000 2.891 177 D HA 0.311 4.941 4.640 -0.017 0.000 0.224 177 D C 0.529 176.799 176.300 -0.049 0.000 1.321 177 D CA 0.781 54.759 54.000 -0.037 0.000 0.929 177 D CB 1.444 42.229 40.800 -0.025 0.000 1.551 177 D HN 0.716 nan 8.370 nan 0.000 0.574 178 G N 3.067 111.848 108.800 -0.033 0.000 3.024 178 G HA2 -0.338 3.612 3.960 -0.017 0.000 0.339 178 G HA3 -0.338 3.612 3.960 -0.017 0.000 0.339 178 G C 0.800 175.653 174.900 -0.078 0.000 1.200 178 G CA 1.176 46.260 45.100 -0.027 0.000 0.968 178 G HN 0.575 nan 8.290 nan 0.000 0.593 179 L N -0.940 120.216 121.223 -0.112 0.000 2.860 179 L HA 0.376 4.706 4.340 -0.017 0.000 0.251 179 L C 1.268 177.888 176.870 -0.418 0.000 1.041 179 L CA -0.033 54.680 54.840 -0.213 0.000 0.985 179 L CB 0.167 42.138 42.059 -0.146 0.000 1.656 179 L HN 0.215 nan 8.230 nan 0.000 0.526 180 K N 0.970 121.188 120.400 -0.304 0.000 2.136 180 K HA 0.518 4.829 4.320 -0.017 0.000 0.237 180 K C -0.759 175.686 176.600 -0.258 0.000 1.048 180 K CA 0.253 56.331 56.287 -0.348 0.000 0.880 180 K CB 0.485 32.941 32.500 -0.074 0.000 1.105 180 K HN -0.074 nan 8.250 nan 0.000 0.507 181 L N 0.743 121.875 121.223 -0.150 0.000 2.409 181 L HA 0.440 4.770 4.340 -0.017 0.000 0.272 181 L C -1.206 175.643 176.870 -0.034 0.000 0.980 181 L CA -1.076 53.718 54.840 -0.075 0.000 0.826 181 L CB 1.880 43.915 42.059 -0.040 0.000 1.268 181 L HN 0.216 nan 8.230 nan 0.000 0.407 182 V N 0.939 120.822 119.914 -0.051 0.000 2.732 182 V HA 0.854 4.964 4.120 -0.017 0.000 0.310 182 V C 0.373 176.391 176.094 -0.128 0.000 1.053 182 V CA -0.551 61.707 62.300 -0.070 0.000 0.957 182 V CB 1.834 33.625 31.823 -0.054 0.000 1.018 182 V HN 0.860 nan 8.190 nan 0.000 0.452 183 G N 0.761 109.431 108.800 -0.216 0.000 2.760 183 G HA2 0.482 4.432 3.960 -0.017 0.000 0.285 183 G HA3 0.482 4.432 3.960 -0.017 0.000 0.285 183 G C -0.751 173.849 174.900 -0.500 0.000 1.496 183 G CA -0.313 44.554 45.100 -0.389 0.000 1.026 183 G HN 0.673 nan 8.290 nan 0.000 0.536 184 S N 1.914 117.402 115.700 -0.354 0.000 2.513 184 S HA 0.666 5.126 4.470 -0.017 0.000 0.276 184 S C -0.246 174.208 174.600 -0.243 0.000 1.254 184 S CA -0.548 57.519 58.200 -0.221 0.000 1.053 184 S CB 0.516 63.661 63.200 -0.091 0.000 0.958 184 S HN 0.476 nan 8.310 nan 0.000 0.491 200 R N 1.066 121.602 120.500 0.060 0.000 2.523 200 R HA 0.280 4.610 4.340 -0.017 0.000 0.281 200 R C -1.373 174.913 176.300 -0.023 0.000 0.969 200 R CA 0.372 56.507 56.100 0.059 0.000 1.093 200 R CB 0.193 30.579 30.300 0.143 0.000 0.917 200 R HN 0.227 nan 8.270 nan 0.000 0.408 201 V N 7.356 127.283 119.914 0.022 0.000 2.326 201 V HA 0.233 4.343 4.120 -0.017 0.000 0.281 201 V C -0.278 175.846 176.094 0.050 0.000 1.015 201 V CA -0.888 61.423 62.300 0.019 0.000 0.823 201 V CB 1.233 33.078 31.823 0.036 0.000 1.009 201 V HN 0.604 nan 8.190 nan 0.000 0.436 202 L N 4.378 125.628 121.223 0.045 0.000 2.638 202 L HA 0.132 4.462 4.340 -0.017 0.000 0.273 202 L C 1.018 177.992 176.870 0.173 0.000 1.147 202 L CA 1.200 56.095 54.840 0.092 0.000 0.941 202 L CB 0.696 42.804 42.059 0.081 0.000 1.251 202 L HN 0.732 nan 8.230 nan 0.000 0.479 203 S N 1.538 117.322 115.700 0.139 0.000 2.593 203 S HA 0.040 4.500 4.470 -0.017 0.000 0.269 203 S C 1.522 176.193 174.600 0.118 0.000 1.334 203 S CA 0.169 58.455 58.200 0.144 0.000 1.015 203 S CB 1.186 64.432 63.200 0.076 0.000 0.912 203 S HN 0.824 nan 8.310 nan 0.000 0.541 204 T N 1.626 116.206 114.554 0.044 0.000 2.684 204 T HA -0.157 4.183 4.350 -0.017 0.000 0.267 204 T C 1.551 176.118 174.700 -0.221 0.000 1.036 204 T CA 2.177 64.071 62.100 -0.344 0.000 1.148 204 T CB -0.559 68.084 68.868 -0.374 0.000 0.863 204 T HN 0.777 nan 8.240 nan 0.000 0.436 205 E N -0.376 119.768 120.200 -0.094 0.000 2.274 205 E HA -0.103 4.237 4.350 -0.017 0.000 0.194 205 E C 2.290 178.867 176.600 -0.039 0.000 0.996 205 E CA 0.650 57.016 56.400 -0.057 0.000 0.840 205 E CB 0.051 29.734 29.700 -0.028 0.000 0.772 205 E HN 0.537 nan 8.360 nan 0.000 0.491 206 E N 0.439 120.625 120.200 -0.025 0.000 2.031 206 E HA -0.198 4.142 4.350 -0.017 0.000 0.193 206 E C 2.139 178.708 176.600 -0.052 0.000 0.994 206 E CA 1.170 57.562 56.400 -0.013 0.000 0.800 206 E CB -0.182 29.530 29.700 0.020 0.000 0.752 206 E HN 0.428 nan 8.360 nan 0.000 0.447 207 I N 1.490 122.017 120.570 -0.072 0.000 2.614 207 I HA -0.205 3.955 4.170 -0.017 0.000 0.258 207 I C 2.589 178.624 176.117 -0.136 0.000 1.189 207 I CA 0.308 61.514 61.300 -0.156 0.000 1.462 207 I CB -0.256 37.720 38.000 -0.041 0.000 1.092 207 I HN 0.096 nan 8.210 nan 0.000 0.442 208 L N 1.365 122.562 121.223 -0.042 0.000 1.955 208 L HA -0.297 4.033 4.340 -0.017 0.000 0.213 208 L C 2.372 179.243 176.870 0.003 0.000 1.072 208 L CA 2.443 57.297 54.840 0.022 0.000 0.755 208 L CB -0.549 41.515 42.059 0.007 0.000 0.888 208 L HN 0.353 nan 8.230 nan 0.000 0.432 209 N N 0.088 118.773 118.700 -0.024 0.000 2.149 209 N HA -0.221 4.509 4.740 -0.017 0.000 0.188 209 N C 1.592 177.109 175.510 0.012 0.000 1.019 209 N CA 1.475 54.517 53.050 -0.014 0.000 0.857 209 N CB -0.137 38.363 38.487 0.021 0.000 0.997 209 N HN 0.333 nan 8.380 nan 0.000 0.426 210 I N -0.526 119.981 120.570 -0.104 0.000 2.756 210 I HA -0.126 4.034 4.170 -0.017 0.000 0.262 210 I C 0.585 176.523 176.117 -0.298 0.000 1.225 210 I CA 0.904 62.061 61.300 -0.238 0.000 1.472 210 I CB -0.993 36.733 38.000 -0.456 0.000 1.094 210 I HN 0.118 nan 8.210 nan 0.000 0.454 211 F N 0.256 120.212 119.950 0.011 0.000 2.728 211 F HA 0.227 4.744 4.527 -0.017 0.000 0.314 211 F C 2.144 177.914 175.800 -0.050 0.000 1.094 211 F CA -0.445 57.535 58.000 -0.032 0.000 1.217 211 F CB -0.418 38.542 39.000 -0.065 0.000 1.056 211 F HN -0.080 nan 8.300 nan 0.000 0.577 212 K N -0.421 120.019 120.400 0.067 0.000 2.147 212 K HA -0.110 4.200 4.320 -0.017 0.000 0.205 212 K C 1.561 178.070 176.600 -0.152 0.000 1.049 212 K CA 1.126 57.370 56.287 -0.073 0.000 0.936 212 K CB 0.110 32.506 32.500 -0.173 0.000 0.722 212 K HN 0.243 nan 8.250 nan 0.000 0.446 213 H N 0.076 119.184 119.070 0.064 0.000 3.109 213 H HA 0.092 4.638 4.556 -0.016 0.000 0.299 213 H C 0.566 175.912 175.328 0.030 0.000 1.335 213 H CA 0.620 56.693 56.048 0.042 0.000 1.890 213 H CB 0.011 29.782 29.762 0.014 0.000 1.595 213 H HN -0.088 nan 8.280 nan 0.000 0.756 214 I N 0.972 121.615 120.570 0.122 0.000 8.714 214 I HA -0.229 3.931 4.170 -0.017 0.000 0.126 214 I C 0.648 176.602 176.117 -0.271 0.000 1.854 214 I CA -0.028 61.193 61.300 -0.131 0.000 2.050 214 I CB -1.400 36.448 38.000 -0.254 0.000 3.870 214 I HN 0.420 nan 8.210 nan 0.000 0.173 215 S N 4.368 119.903 115.700 -0.275 0.000 2.558 215 S HA 0.240 4.700 4.470 -0.017 0.000 0.288 215 S C 1.487 175.913 174.600 -0.290 0.000 1.318 215 S CA 0.013 58.093 58.200 -0.200 0.000 1.056 215 S CB 1.047 64.165 63.200 -0.137 0.000 0.853 215 S HN 0.373 nan 8.310 nan 0.000 0.505 216 V N 5.510 125.418 119.914 -0.009 0.000 2.392 216 V HA -0.144 3.966 4.120 -0.017 0.000 0.249 216 V C 2.340 178.534 176.094 0.166 0.000 1.059 216 V CA 2.026 64.446 62.300 0.200 0.000 1.051 216 V CB -0.660 31.251 31.823 0.146 0.000 0.658 216 V HN 0.851 nan 8.190 nan 0.000 0.455 217 K N -0.580 119.837 120.400 0.028 0.000 2.418 217 K HA -0.060 4.250 4.320 -0.017 0.000 0.195 217 K C 1.197 177.781 176.600 -0.026 0.000 1.035 217 K CA 0.539 56.842 56.287 0.025 0.000 1.003 217 K CB 0.031 32.536 32.500 0.009 0.000 0.793 217 K HN 0.402 nan 8.250 nan 0.000 0.494 218 D N -0.512 119.784 120.400 -0.174 0.000 2.340 218 D HA 0.004 4.634 4.640 -0.017 0.000 0.220 218 D C 0.855 176.976 176.300 -0.298 0.000 1.039 218 D CA 0.400 54.261 54.000 -0.231 0.000 0.866 218 D CB 0.178 40.812 40.800 -0.277 0.000 0.913 218 D HN 0.143 nan 8.370 nan 0.000 0.523 219 F N 0.793 120.727 119.950 -0.027 0.000 2.147 219 F HA -0.086 4.431 4.527 -0.016 0.000 0.291 219 F C 2.542 178.387 175.800 0.075 0.000 1.093 219 F CA 0.770 58.753 58.000 -0.029 0.000 1.263 219 F CB -0.941 38.023 39.000 -0.059 0.000 1.036 219 F HN -0.134 nan 8.300 nan 0.000 0.481 220 T N 0.318 115.026 114.554 0.256 0.000 2.624 220 T HA -0.332 4.008 4.350 -0.017 0.000 0.266 220 T C 2.173 176.966 174.700 0.154 0.000 1.050 220 T CA 2.142 64.347 62.100 0.174 0.000 1.163 220 T CB -0.998 67.941 68.868 0.118 0.000 0.861 220 T HN 0.436 nan 8.240 nan 0.000 0.443 221 S N 2.896 118.675 115.700 0.133 0.000 2.365 221 S HA -0.126 4.334 4.470 -0.017 0.000 0.221 221 S C 0.888 175.614 174.600 0.210 0.000 1.037 221 S CA 0.858 59.141 58.200 0.139 0.000 1.060 221 S CB -1.275 61.992 63.200 0.111 0.000 0.974 221 S HN 0.527 nan 8.310 nan 0.000 0.427 222 L N 1.738 123.125 121.223 0.274 0.000 2.319 222 L HA 0.675 5.005 4.340 -0.017 0.000 0.280 222 L C 0.897 177.955 176.870 0.313 0.000 1.099 222 L CA -0.261 54.802 54.840 0.372 0.000 0.828 222 L CB -0.677 41.647 42.059 0.441 0.000 1.150 222 L HN 0.202 nan 8.230 nan 0.000 0.442 223 G N 3.102 111.923 108.800 0.035 0.000 2.459 223 G HA2 0.142 4.092 3.960 -0.017 0.000 0.290 223 G HA3 0.142 4.092 3.960 -0.017 0.000 0.290 223 G C -0.528 174.108 174.900 -0.440 0.000 0.646 223 G CA 0.260 45.261 45.100 -0.164 0.000 2.078 223 G HN 0.438 nan 8.290 nan 0.000 0.508 224 F N -0.311 119.618 119.950 -0.035 0.000 2.613 224 F HA 0.397 4.914 4.527 -0.017 0.000 0.310 224 F C 0.012 175.792 175.800 -0.035 0.000 1.085 224 F CA -1.156 56.809 58.000 -0.058 0.000 0.945 224 F CB 2.330 41.301 39.000 -0.049 0.000 1.298 224 F HN 0.268 nan 8.300 nan 0.000 0.455 225 N N 0.494 119.261 118.700 0.111 0.000 2.404 225 N HA 0.213 4.943 4.740 -0.017 0.000 0.297 225 N C 0.681 176.106 175.510 -0.142 0.000 1.163 225 N CA -0.434 52.639 53.050 0.038 0.000 0.864 225 N CB 1.682 40.250 38.487 0.135 0.000 1.247 225 N HN 0.776 nan 8.380 nan 0.000 0.510 226 E N 0.653 120.758 120.200 -0.158 0.000 2.038 226 E HA -0.173 4.167 4.350 -0.017 0.000 0.195 226 E C 0.695 177.122 176.600 -0.288 0.000 1.000 226 E CA 1.625 57.865 56.400 -0.266 0.000 0.803 226 E CB 0.184 29.796 29.700 -0.147 0.000 0.750 226 E HN 0.451 nan 8.360 nan 0.000 0.448 227 V N -0.687 119.086 119.914 -0.236 0.000 3.212 227 V HA 0.016 4.126 4.120 -0.017 0.000 0.244 227 V C 1.682 177.756 176.094 -0.034 0.000 1.151 227 V CA 0.395 62.583 62.300 -0.187 0.000 1.119 227 V CB -0.256 31.355 31.823 -0.353 0.000 0.838 227 V HN 0.230 nan 8.190 nan 0.000 0.470 228 F N 0.342 120.325 119.950 0.055 0.000 2.149 228 F HA 0.127 4.644 4.527 -0.016 0.000 0.294 228 F C 1.462 177.352 175.800 0.149 0.000 1.095 228 F CA 1.332 59.374 58.000 0.071 0.000 1.276 228 F CB 0.257 39.259 39.000 0.005 0.000 1.023 228 F HN 0.125 nan 8.300 nan 0.000 0.480 229 S N 0.305 116.152 115.700 0.245 0.000 2.789 229 S HA 0.486 4.947 4.470 -0.017 0.000 0.286 229 S C -0.869 173.714 174.600 -0.028 0.000 1.153 229 S CA -0.613 57.687 58.200 0.167 0.000 1.084 229 S CB 0.513 63.779 63.200 0.111 0.000 1.036 229 S HN 0.083 nan 8.310 nan 0.000 0.484 230 R N 4.172 124.451 120.500 -0.369 0.000 2.534 230 R HA 0.372 4.703 4.340 -0.017 0.000 0.301 230 R C -2.093 173.818 176.300 -0.650 0.000 0.961 230 R CA -2.270 53.338 56.100 -0.819 0.000 0.871 230 R CB 1.613 30.967 30.300 -1.577 0.000 1.170 230 R HN 0.313 nan 8.270 nan 0.000 0.446 231 P HA -0.281 nan 4.420 nan 0.000 0.217 231 P C 0.708 177.759 177.300 -0.415 0.000 1.151 231 P CA 1.465 64.120 63.100 -0.743 0.000 0.849 231 P CB 0.208 31.201 31.700 -1.177 0.000 0.787 232 E N -1.632 118.373 120.200 -0.326 0.000 2.209 232 E HA -0.202 4.138 4.350 -0.017 0.000 0.196 232 E C 1.201 177.859 176.600 0.097 0.000 0.993 232 E CA 1.019 57.374 56.400 -0.076 0.000 0.819 232 E CB -0.955 28.662 29.700 -0.138 0.000 0.745 232 E HN 0.338 nan 8.360 nan 0.000 0.477 233 W N 0.531 121.821 121.300 -0.017 0.000 2.812 233 W HA 0.314 4.964 4.660 -0.016 0.000 0.263 233 W C 1.999 178.533 176.519 0.024 0.000 1.284 233 W CA -0.534 56.822 57.345 0.019 0.000 1.430 233 W CB -0.686 28.785 29.460 0.018 0.000 1.088 233 W HN 0.099 nan 8.180 nan 0.000 0.623 234 M N 0.260 119.920 119.600 0.099 0.000 2.337 234 M HA -0.157 4.313 4.480 -0.017 0.000 0.261 234 M C -0.321 176.091 176.300 0.188 0.000 1.067 234 M CA 1.373 56.648 55.300 -0.041 0.000 1.074 234 M CB -0.141 32.296 32.600 -0.272 0.000 1.395 234 M HN -0.307 nan 8.290 nan 0.000 0.431 235 I N 0.494 121.187 120.570 0.206 0.000 2.377 235 I HA 0.203 4.363 4.170 -0.017 0.000 0.293 235 I C -0.487 175.758 176.117 0.212 0.000 0.987 235 I CA -0.398 61.030 61.300 0.214 0.000 1.185 235 I CB 1.677 39.731 38.000 0.089 0.000 1.341 235 I HN 0.007 nan 8.210 nan 0.000 0.455 236 L N 6.547 127.904 121.223 0.224 0.000 2.536 236 L HA 0.117 4.447 4.340 -0.017 0.000 0.282 236 L C 1.339 178.284 176.870 0.126 0.000 1.147 236 L CA -0.071 54.891 54.840 0.204 0.000 0.936 236 L CB -0.240 41.949 42.059 0.218 0.000 1.279 236 L HN 0.827 nan 8.230 nan 0.000 0.461 237 T N -1.567 113.062 114.554 0.124 0.000 2.852 237 T HA -0.041 4.299 4.350 -0.017 0.000 0.256 237 T C 0.673 175.418 174.700 0.075 0.000 1.038 237 T CA 0.053 62.206 62.100 0.088 0.000 1.141 237 T CB 0.170 69.096 68.868 0.096 0.000 0.869 237 T HN 0.512 nan 8.240 nan 0.000 0.439 238 C N 1.329 120.677 119.300 0.081 0.000 2.481 238 C HA 0.783 5.233 4.460 -0.017 0.000 0.324 238 C C -0.960 174.077 174.990 0.077 0.000 1.170 238 C CA -1.458 57.606 59.018 0.076 0.000 1.361 238 C CB 0.497 28.279 27.740 0.068 0.000 1.977 238 C HN 0.657 nan 8.230 nan 0.000 0.459 239 L N 8.888 130.153 121.223 0.070 0.000 2.295 239 L HA 0.724 5.054 4.340 -0.017 0.000 0.285 239 L C -2.173 174.729 176.870 0.053 0.000 1.035 239 L CA -1.378 53.500 54.840 0.064 0.000 0.806 239 L CB 1.681 43.772 42.059 0.053 0.000 1.214 239 L HN 0.505 nan 8.230 nan 0.000 0.426 240 P HA 0.209 nan 4.420 nan 0.000 0.284 240 P C -1.154 176.252 177.300 0.177 0.000 1.253 240 P CA -0.359 62.803 63.100 0.102 0.000 0.800 240 P CB 1.468 33.120 31.700 -0.081 0.000 0.961 241 V N 0.477 120.483 119.914 0.153 0.000 2.370 241 V HA 0.480 4.590 4.120 -0.017 0.000 0.279 241 V C -2.416 173.578 176.094 -0.167 0.000 1.029 241 V CA -2.856 59.450 62.300 0.009 0.000 0.870 241 V CB 0.896 32.680 31.823 -0.064 0.000 0.984 241 V HN 0.395 nan 8.190 nan 0.000 0.451 242 P HA 0.334 nan 4.420 nan 0.000 0.276 242 P C -2.498 174.598 177.300 -0.339 0.000 1.235 242 P CA -1.178 61.683 63.100 -0.399 0.000 0.772 242 P CB 0.567 32.234 31.700 -0.054 0.000 0.871 243 P HA 0.126 nan 4.420 nan 0.000 0.274 243 P C -1.768 175.437 177.300 -0.157 0.000 1.260 243 P CA -1.446 61.489 63.100 -0.275 0.000 0.793 243 P CB -0.582 30.925 31.700 -0.323 0.000 1.048 244 P HA -0.154 nan 4.420 nan 0.000 0.217 244 P C -1.258 176.008 177.300 -0.056 0.000 1.158 244 P CA 2.838 65.899 63.100 -0.065 0.000 0.887 244 P CB -2.129 29.541 31.700 -0.050 0.000 0.792 245 P HA -0.060 nan 4.420 nan 0.000 0.220 245 P C 1.659 178.938 177.300 -0.035 0.000 1.148 245 P CA 0.853 63.924 63.100 -0.049 0.000 0.803 245 P CB -0.486 31.178 31.700 -0.059 0.000 0.782 246 V N -0.154 119.732 119.914 -0.048 0.000 2.871 246 V HA -0.084 4.026 4.120 -0.017 0.000 0.256 246 V C 1.170 177.262 176.094 -0.004 0.000 1.082 246 V CA 1.239 63.526 62.300 -0.022 0.000 1.105 246 V CB -1.122 30.682 31.823 -0.031 0.000 0.713 246 V HN 0.277 nan 8.190 nan 0.000 0.473 247 R N -0.532 119.961 120.500 -0.011 0.000 2.984 247 R HA 0.424 4.754 4.340 -0.017 0.000 0.252 247 R C -3.264 173.040 176.300 0.006 0.000 1.842 247 R CA -1.316 54.790 56.100 0.010 0.000 1.389 247 R CB 0.648 30.963 30.300 0.026 0.000 1.454 247 R HN 0.141 nan 8.270 nan 0.000 0.578 248 P HA 0.283 nan 4.420 nan 0.000 0.329 248 P C -0.027 177.287 177.300 0.023 0.000 1.319 248 P CA -0.218 62.887 63.100 0.009 0.000 0.742 248 P CB 0.665 32.370 31.700 0.007 0.000 1.564 249 S N -2.300 113.415 115.700 0.024 0.000 3.865 249 S HA 0.364 4.824 4.470 -0.017 0.000 0.182 249 S C -0.253 174.370 174.600 0.039 0.000 1.141 249 S CA -0.306 57.915 58.200 0.035 0.000 1.257 249 S CB -0.348 62.867 63.200 0.025 0.000 1.779 249 S HN 0.282 nan 8.310 nan 0.000 0.816 250 I N 1.763 122.350 120.570 0.028 0.000 8.511 250 I HA -0.125 4.035 4.170 -0.017 0.000 0.126 250 I C 0.137 176.287 176.117 0.054 0.000 1.779 250 I CA 0.312 61.630 61.300 0.030 0.000 2.154 250 I CB -1.512 36.505 38.000 0.029 0.000 3.703 250 I HN 0.753 nan 8.210 nan 0.000 0.204 251 S N 5.288 121.004 115.700 0.027 0.000 2.798 251 S HA 0.800 5.260 4.470 -0.017 0.000 0.312 251 S C 0.384 175.017 174.600 0.055 0.000 1.122 251 S CA -0.481 57.738 58.200 0.032 0.000 0.949 251 S CB 1.259 64.368 63.200 -0.153 0.000 1.235 251 S HN 0.442 nan 8.310 nan 0.000 0.552 252 F N 0.566 120.517 119.950 0.003 0.000 2.684 252 F HA 0.594 5.111 4.527 -0.017 0.000 0.298 252 F C 0.699 176.500 175.800 0.001 0.000 1.120 252 F CA -0.518 57.482 58.000 0.001 0.000 1.332 252 F CB -0.275 38.724 39.000 -0.001 0.000 0.986 252 F HN 0.246 nan 8.300 nan 0.000 0.524 253 N N 0.173 118.726 118.700 -0.245 0.000 2.979 253 N HA 0.039 4.769 4.740 -0.017 0.000 0.247 253 N C -0.679 174.772 175.510 -0.098 0.000 1.012 253 N CA 0.186 53.126 53.050 -0.183 0.000 1.061 253 N CB 0.251 38.556 38.487 -0.302 0.000 1.677 253 N HN 0.097 nan 8.380 nan 0.000 0.558 254 E N 0.433 120.566 120.200 -0.111 0.000 7.494 254 E HA -0.103 4.237 4.350 -0.017 0.000 0.356 254 E C -0.852 175.712 176.600 -0.060 0.000 0.670 254 E CA 0.181 56.541 56.400 -0.067 0.000 1.219 254 E CB -0.776 28.902 29.700 -0.037 0.000 0.933 254 E HN 0.252 nan 8.360 nan 0.000 0.264 255 S N 3.637 119.303 115.700 -0.056 0.000 2.572 255 S HA 0.041 4.501 4.470 -0.017 0.000 0.228 255 S C -0.058 174.503 174.600 -0.065 0.000 0.963 255 S CA 0.058 58.227 58.200 -0.052 0.000 0.939 255 S CB -0.007 63.171 63.200 -0.036 0.000 0.804 255 S HN 0.467 nan 8.310 nan 0.000 0.480 256 Q N 1.607 121.350 119.800 -0.094 0.000 2.333 256 Q HA 0.574 4.904 4.340 -0.017 0.000 0.267 256 Q C -0.007 175.888 176.000 -0.175 0.000 1.012 256 Q CA -0.812 54.927 55.803 -0.106 0.000 0.824 256 Q CB 1.488 30.172 28.738 -0.089 0.000 1.290 256 Q HN 0.460 nan 8.270 nan 0.000 0.449 257 R N 0.449 120.866 120.500 -0.139 0.000 2.243 257 R HA 0.169 4.499 4.340 -0.017 0.000 0.168 257 R C 0.371 176.661 176.300 -0.016 0.000 0.848 257 R CA 0.148 56.212 56.100 -0.060 0.000 1.662 257 R CB -0.589 29.687 30.300 -0.039 0.000 1.566 257 R HN 0.577 nan 8.270 nan 0.000 0.460 258 G N 1.241 110.035 108.800 -0.010 0.000 2.670 258 G HA2 0.182 4.132 3.960 -0.017 0.000 0.233 258 G HA3 0.182 4.132 3.960 -0.017 0.000 0.233 258 G C -0.695 174.255 174.900 0.083 0.000 1.251 258 G CA 0.121 45.260 45.100 0.065 0.000 0.849 258 G HN 0.336 nan 8.290 nan 0.000 0.588 259 E N -0.692 119.587 120.200 0.132 0.000 2.445 259 E HA 0.247 4.587 4.350 -0.017 0.000 0.273 259 E C -0.819 175.865 176.600 0.140 0.000 0.961 259 E CA -0.853 55.622 56.400 0.126 0.000 0.807 259 E CB 1.743 31.517 29.700 0.123 0.000 1.362 259 E HN 0.481 nan 8.360 nan 0.000 0.453 260 D N 0.227 120.695 120.400 0.113 0.000 2.352 260 D HA -0.026 4.604 4.640 -0.017 0.000 0.238 260 D C 0.533 176.909 176.300 0.127 0.000 1.286 260 D CA 0.291 54.348 54.000 0.094 0.000 0.923 260 D CB 0.516 41.358 40.800 0.069 0.000 1.146 260 D HN 0.311 nan 8.370 nan 0.000 0.471 261 D N -0.324 120.127 120.400 0.085 0.000 2.103 261 D HA -0.062 4.568 4.640 -0.017 0.000 0.199 261 D C 2.184 178.571 176.300 0.145 0.000 0.978 261 D CA 0.704 54.754 54.000 0.083 0.000 0.829 261 D CB -0.014 40.810 40.800 0.041 0.000 0.981 261 D HN 0.264 nan 8.370 nan 0.000 0.464 262 L N 0.889 122.190 121.223 0.131 0.000 2.083 262 L HA -0.142 4.188 4.340 -0.017 0.000 0.209 262 L C 2.461 179.422 176.870 0.151 0.000 1.083 262 L CA 1.056 55.993 54.840 0.162 0.000 0.752 262 L CB -0.645 41.509 42.059 0.158 0.000 0.899 262 L HN 0.027 nan 8.230 nan 0.000 0.433 263 T N -0.474 114.157 114.554 0.127 0.000 2.803 263 T HA -0.231 4.109 4.350 -0.017 0.000 0.269 263 T C 1.583 176.323 174.700 0.065 0.000 1.052 263 T CA 1.373 63.517 62.100 0.073 0.000 1.136 263 T CB -0.415 68.492 68.868 0.065 0.000 0.864 263 T HN 0.156 nan 8.240 nan 0.000 0.467 264 F N 1.132 121.086 119.950 0.006 0.000 2.451 264 F HA 0.053 4.570 4.527 -0.017 0.000 0.299 264 F C 2.332 178.126 175.800 -0.010 0.000 1.101 264 F CA 0.900 58.900 58.000 -0.000 0.000 1.436 264 F CB -0.025 38.984 39.000 0.014 0.000 1.074 264 F HN 0.047 nan 8.300 nan 0.000 0.553 265 K N -0.587 119.900 120.400 0.145 0.000 2.202 265 K HA 0.021 4.331 4.320 -0.017 0.000 0.201 265 K C 1.971 178.536 176.600 -0.059 0.000 1.051 265 K CA 0.170 56.499 56.287 0.070 0.000 0.977 265 K CB 0.061 32.661 32.500 0.167 0.000 0.792 265 K HN 0.113 nan 8.250 nan 0.000 0.469 266 L N 0.853 122.018 121.223 -0.098 0.000 2.079 266 L HA -0.173 4.157 4.340 -0.017 0.000 0.210 266 L C 2.350 179.125 176.870 -0.157 0.000 1.081 266 L CA 1.787 56.518 54.840 -0.182 0.000 0.752 266 L CB -1.033 40.931 42.059 -0.159 0.000 0.896 266 L HN 0.187 nan 8.230 nan 0.000 0.433 267 A N -1.105 121.622 122.820 -0.155 0.000 1.970 267 A HA -0.192 4.118 4.320 -0.017 0.000 0.216 267 A C 2.130 179.617 177.584 -0.161 0.000 1.170 267 A CA 1.309 53.243 52.037 -0.172 0.000 0.645 267 A CB -0.371 18.480 19.000 -0.248 0.000 0.816 267 A HN 0.380 nan 8.150 nan 0.000 0.447 268 D N -0.371 119.931 120.400 -0.164 0.000 2.183 268 D HA -0.101 4.529 4.640 -0.017 0.000 0.203 268 D C 1.648 177.840 176.300 -0.182 0.000 0.969 268 D CA 0.892 54.775 54.000 -0.196 0.000 0.842 268 D CB 0.005 40.651 40.800 -0.256 0.000 0.957 268 D HN 0.303 nan 8.370 nan 0.000 0.484 269 I N 0.860 121.351 120.570 -0.132 0.000 2.439 269 I HA -0.128 4.032 4.170 -0.017 0.000 0.251 269 I C 2.328 178.402 176.117 -0.071 0.000 1.139 269 I CA 0.596 61.851 61.300 -0.075 0.000 1.438 269 I CB -0.197 37.745 38.000 -0.096 0.000 1.085 269 I HN 0.024 nan 8.210 nan 0.000 0.427 270 L N -0.243 120.923 121.223 -0.096 0.000 2.156 270 L HA -0.193 4.137 4.340 -0.017 0.000 0.208 270 L C 2.442 179.275 176.870 -0.061 0.000 1.095 270 L CA 1.224 56.012 54.840 -0.086 0.000 0.770 270 L CB -0.323 41.677 42.059 -0.097 0.000 0.914 270 L HN 0.183 nan 8.230 nan 0.000 0.439 271 K N -0.355 120.007 120.400 -0.063 0.000 2.103 271 K HA -0.093 4.217 4.320 -0.017 0.000 0.204 271 K C 1.940 178.527 176.600 -0.022 0.000 1.052 271 K CA 0.996 57.257 56.287 -0.043 0.000 0.945 271 K CB 0.041 32.507 32.500 -0.057 0.000 0.722 271 K HN 0.300 nan 8.250 nan 0.000 0.443 272 A N 1.176 123.986 122.820 -0.016 0.000 2.066 272 A HA -0.113 4.197 4.320 -0.017 0.000 0.218 272 A C 1.780 179.380 177.584 0.028 0.000 1.157 272 A CA 1.160 53.214 52.037 0.029 0.000 0.670 272 A CB -0.401 18.648 19.000 0.082 0.000 0.804 272 A HN 0.348 nan 8.150 nan 0.000 0.453 273 N N -0.359 118.342 118.700 0.002 0.000 2.415 273 N HA 0.083 4.814 4.740 -0.017 0.000 0.176 273 N C 1.384 176.886 175.510 -0.014 0.000 1.042 273 N CA 0.513 53.560 53.050 -0.006 0.000 0.902 273 N CB 0.036 38.506 38.487 -0.028 0.000 0.986 273 N HN 0.494 nan 8.380 nan 0.000 0.447 274 I N -0.139 120.421 120.570 -0.016 0.000 3.226 274 I HA -0.039 4.121 4.170 -0.017 0.000 0.277 274 I C 1.742 177.860 176.117 0.002 0.000 1.243 274 I CA 0.293 61.585 61.300 -0.014 0.000 1.459 274 I CB 0.125 38.119 38.000 -0.011 0.000 1.093 274 I HN -0.003 nan 8.210 nan 0.000 0.453 275 S N 0.201 115.908 115.700 0.012 0.000 2.593 275 S HA 0.127 4.587 4.470 -0.017 0.000 0.217 275 S C 1.280 175.899 174.600 0.032 0.000 0.966 275 S CA 0.423 58.638 58.200 0.024 0.000 0.914 275 S CB 0.075 63.292 63.200 0.029 0.000 0.776 275 S HN 0.278 nan 8.310 nan 0.000 0.523 276 L N 0.499 121.737 121.223 0.025 0.000 3.016 276 L HA 0.457 4.787 4.340 -0.017 0.000 0.267 276 L C 1.722 178.603 176.870 0.018 0.000 1.182 276 L CA 0.203 55.060 54.840 0.028 0.000 0.997 276 L CB 0.460 42.538 42.059 0.031 0.000 1.354 276 L HN 0.075 nan 8.230 nan 0.000 0.569 277 E N -0.844 119.360 120.200 0.006 0.000 2.201 277 E HA 0.169 4.509 4.350 -0.017 0.000 0.193 277 E C 0.244 176.854 176.600 0.017 0.000 0.957 277 E CA 0.400 56.794 56.400 -0.009 0.000 0.858 277 E CB 0.433 30.100 29.700 -0.054 0.000 0.816 277 E HN 0.206 nan 8.360 nan 0.000 0.475 278 T N 2.235 116.805 114.554 0.027 0.000 2.832 278 T HA 0.280 4.620 4.350 -0.017 0.000 0.296 278 T C 0.999 175.738 174.700 0.065 0.000 0.968 278 T CA 0.027 62.166 62.100 0.065 0.000 1.107 278 T CB 1.312 70.211 68.868 0.052 0.000 0.916 278 T HN 0.097 nan 8.240 nan 0.000 0.517 279 L N 1.033 122.303 121.223 0.079 0.000 1.589 279 L HA -0.089 4.241 4.340 -0.017 0.000 0.498 279 L C 0.798 177.708 176.870 0.066 0.000 0.759 279 L CA 0.849 55.730 54.840 0.068 0.000 2.575 279 L CB -0.623 41.472 42.059 0.060 0.000 1.068 279 L HN 0.752 nan 8.230 nan 0.000 0.591 280 E N -1.572 118.678 120.200 0.082 0.000 2.921 280 E HA 0.194 4.535 4.350 -0.017 0.000 0.203 280 E C 0.594 177.267 176.600 0.123 0.000 0.975 280 E CA -0.039 56.407 56.400 0.077 0.000 1.225 280 E CB 0.101 29.836 29.700 0.058 0.000 1.048 280 E HN 0.643 nan 8.360 nan 0.000 0.477 281 H N -0.797 118.283 119.070 0.017 0.000 3.650 281 H HA 0.312 4.858 4.556 -0.016 0.000 0.260 281 H C 0.804 176.143 175.328 0.018 0.000 1.194 281 H CA 0.314 56.372 56.048 0.016 0.000 1.135 281 H CB 0.630 30.402 29.762 0.017 0.000 1.612 281 H HN 0.053 nan 8.280 nan 0.000 0.703 282 N N -0.061 118.688 118.700 0.081 0.000 2.531 282 N HA 0.360 5.090 4.740 -0.017 0.000 0.223 282 N C -0.219 175.301 175.510 0.017 0.000 1.023 282 N CA 1.428 54.510 53.050 0.053 0.000 1.124 282 N CB 1.005 39.532 38.487 0.066 0.000 1.427 282 N HN 0.332 nan 8.380 nan 0.000 0.558 283 G N -1.775 107.038 108.800 0.023 0.000 2.249 283 G HA2 0.513 4.463 3.960 -0.017 0.000 0.252 283 G HA3 0.513 4.463 3.960 -0.017 0.000 0.252 283 G C -0.812 174.113 174.900 0.041 0.000 1.697 283 G CA 0.059 45.184 45.100 0.041 0.000 0.916 283 G HN 0.639 nan 8.290 nan 0.000 0.725 284 A N 1.673 124.525 122.820 0.053 0.000 2.487 284 A HA 0.526 4.836 4.320 -0.017 0.000 0.192 284 A C -1.867 175.775 177.584 0.096 0.000 1.709 284 A CA 0.705 52.779 52.037 0.062 0.000 1.105 284 A CB -0.130 18.901 19.000 0.052 0.000 1.081 284 A HN 1.030 nan 8.150 nan 0.000 0.445 285 P HA 0.558 nan 4.420 nan 0.000 0.280 285 P C -0.881 176.530 177.300 0.185 0.000 1.244 285 P CA 0.667 63.837 63.100 0.117 0.000 0.784 285 P CB 0.585 32.332 31.700 0.079 0.000 0.913 286 H N -0.633 118.477 119.070 0.068 0.000 3.094 286 H HA 0.504 5.050 4.556 -0.017 0.000 0.346 286 H C -0.950 174.453 175.328 0.125 0.000 1.238 286 H CA -0.572 55.520 56.048 0.073 0.000 1.209 286 H CB 1.300 31.085 29.762 0.039 0.000 1.911 286 H HN 0.476 nan 8.280 nan 0.000 0.540 287 H N 2.810 121.692 119.070 -0.314 0.000 1.829 287 H HA 0.367 4.914 4.556 -0.017 0.000 0.124 287 H C -0.742 174.530 175.328 -0.093 0.000 1.194 287 H CA 0.871 56.707 56.048 -0.353 0.000 0.992 287 H CB 0.608 30.241 29.762 -0.214 0.000 0.533 287 H HN 0.970 nan 8.280 nan 0.000 0.242 288 A N 0.899 123.811 122.820 0.152 0.000 2.942 288 A HA 0.340 4.650 4.320 -0.017 0.000 0.229 288 A C 0.618 178.249 177.584 0.078 0.000 1.326 288 A CA 0.259 52.363 52.037 0.113 0.000 1.355 288 A CB -1.320 17.749 19.000 0.115 0.000 1.231 288 A HN 0.400 nan 8.150 nan 0.000 0.851 289 I N -1.286 119.325 120.570 0.068 0.000 3.751 289 I HA -0.301 3.859 4.170 -0.017 0.000 0.238 289 I C 0.714 176.902 176.117 0.119 0.000 0.999 289 I CA 1.776 63.127 61.300 0.085 0.000 1.408 289 I CB -0.964 37.085 38.000 0.081 0.000 1.581 289 I HN 0.529 nan 8.210 nan 0.000 0.352 290 E N 0.361 120.631 120.200 0.116 0.000 3.586 290 E HA 0.198 4.538 4.350 -0.017 0.000 0.175 290 E C 0.604 177.263 176.600 0.099 0.000 0.980 290 E CA -0.008 56.470 56.400 0.130 0.000 1.391 290 E CB 0.319 30.135 29.700 0.195 0.000 1.101 290 E HN 0.379 nan 8.360 nan 0.000 0.440 291 E N -0.290 119.955 120.200 0.077 0.000 2.511 291 E HA 0.023 4.363 4.350 -0.017 0.000 0.196 291 E C 1.518 178.158 176.600 0.067 0.000 1.066 291 E CA 0.568 57.004 56.400 0.060 0.000 0.871 291 E CB 0.272 29.991 29.700 0.032 0.000 0.863 291 E HN 0.373 nan 8.360 nan 0.000 0.520 292 A N 1.168 124.034 122.820 0.078 0.000 1.968 292 A HA -0.183 4.127 4.320 -0.017 0.000 0.217 292 A C 1.898 179.537 177.584 0.091 0.000 1.169 292 A CA 0.989 53.074 52.037 0.081 0.000 0.638 292 A CB -0.088 18.957 19.000 0.075 0.000 0.812 292 A HN 0.147 nan 8.150 nan 0.000 0.446 293 E N 0.135 120.392 120.200 0.094 0.000 2.106 293 E HA -0.108 4.232 4.350 -0.017 0.000 0.192 293 E C 1.661 178.339 176.600 0.130 0.000 0.984 293 E CA 1.309 57.772 56.400 0.105 0.000 0.806 293 E CB -0.100 29.662 29.700 0.103 0.000 0.750 293 E HN 0.697 nan 8.360 nan 0.000 0.458 294 S N -0.280 115.493 115.700 0.123 0.000 2.622 294 S HA 0.130 4.590 4.470 -0.017 0.000 0.236 294 S C 1.032 175.714 174.600 0.137 0.000 0.956 294 S CA -0.194 58.091 58.200 0.141 0.000 0.971 294 S CB 0.422 63.693 63.200 0.117 0.000 0.782 294 S HN 0.068 nan 8.310 nan 0.000 0.468 295 L N -0.361 120.942 121.223 0.133 0.000 2.948 295 L HA 0.544 4.875 4.340 -0.017 0.000 0.259 295 L C 1.298 178.324 176.870 0.259 0.000 1.136 295 L CA 0.298 55.224 54.840 0.142 0.000 0.959 295 L CB 0.346 42.470 42.059 0.109 0.000 1.370 295 L HN 0.403 nan 8.230 nan 0.000 0.552 296 L N -0.332 121.010 121.223 0.199 0.000 2.127 296 L HA -0.031 4.299 4.340 -0.017 0.000 0.203 296 L C 2.362 179.344 176.870 0.187 0.000 1.080 296 L CA 1.755 56.709 54.840 0.189 0.000 0.768 296 L CB -0.355 41.779 42.059 0.124 0.000 0.924 296 L HN 0.373 nan 8.230 nan 0.000 0.444 297 Q N -0.658 119.249 119.800 0.179 0.000 2.084 297 Q HA -0.271 4.059 4.340 -0.017 0.000 0.202 297 Q C 2.064 178.147 176.000 0.139 0.000 0.978 297 Q CA 2.301 58.209 55.803 0.176 0.000 0.844 297 Q CB -0.761 28.105 28.738 0.213 0.000 0.898 297 Q HN 0.534 nan 8.270 nan 0.000 0.426 298 F N -0.152 119.785 119.950 -0.022 0.000 2.102 298 F HA -0.179 4.338 4.527 -0.017 0.000 0.298 298 F C 1.738 177.430 175.800 -0.179 0.000 1.105 298 F CA 2.228 60.136 58.000 -0.154 0.000 1.239 298 F CB -0.123 38.696 39.000 -0.301 0.000 0.991 298 F HN 0.297 nan 8.300 nan 0.000 0.474 299 H N -1.756 117.491 119.070 0.295 0.000 2.482 299 H HA -0.025 4.521 4.556 -0.017 0.000 0.286 299 H C 2.193 177.612 175.328 0.152 0.000 1.017 299 H CA 1.150 57.327 56.048 0.215 0.000 1.322 299 H CB -0.291 29.585 29.762 0.190 0.000 1.426 299 H HN 0.101 nan 8.280 nan 0.000 0.546 300 V N 0.858 120.903 119.914 0.218 0.000 2.407 300 V HA -0.274 3.836 4.120 -0.017 0.000 0.248 300 V C 2.507 178.686 176.094 0.141 0.000 1.055 300 V CA 1.718 64.136 62.300 0.196 0.000 1.049 300 V CB -0.835 31.068 31.823 0.133 0.000 0.662 300 V HN 0.585 nan 8.190 nan 0.000 0.455 301 A N 0.301 123.130 122.820 0.015 0.000 1.872 301 A HA -0.163 4.147 4.320 -0.017 0.000 0.214 301 A C 2.420 179.926 177.584 -0.129 0.000 1.187 301 A CA 2.200 54.166 52.037 -0.119 0.000 0.614 301 A CB -0.939 17.927 19.000 -0.223 0.000 0.826 301 A HN 0.521 nan 8.150 nan 0.000 0.442 302 T N -1.101 113.385 114.554 -0.112 0.000 2.821 302 T HA -0.192 4.148 4.350 -0.017 0.000 0.267 302 T C 1.763 176.505 174.700 0.071 0.000 1.046 302 T CA 1.505 63.572 62.100 -0.055 0.000 1.139 302 T CB -0.549 68.348 68.868 0.048 0.000 0.871 302 T HN 0.639 nan 8.240 nan 0.000 0.454 303 Y N 0.804 121.120 120.300 0.027 0.000 2.483 303 Y HA 0.106 4.646 4.550 -0.017 0.000 0.291 303 Y C 1.991 177.897 175.900 0.010 0.000 1.143 303 Y CA 0.637 58.760 58.100 0.038 0.000 1.289 303 Y CB -0.226 38.267 38.460 0.055 0.000 0.983 303 Y HN 0.076 nan 8.280 nan 0.000 0.556 304 M N -0.262 119.178 119.600 -0.266 0.000 2.514 304 M HA 0.212 4.682 4.480 -0.017 0.000 0.258 304 M C -0.877 175.330 176.300 -0.156 0.000 1.159 304 M CA 0.478 55.577 55.300 -0.334 0.000 1.116 304 M CB 0.551 32.965 32.600 -0.310 0.000 1.333 304 M HN 0.262 nan 8.290 nan 0.000 0.487 305 D N -0.824 119.506 120.400 -0.116 0.000 2.807 305 D HA 0.261 4.891 4.640 -0.017 0.000 0.279 305 D C -1.788 174.462 176.300 -0.083 0.000 1.247 305 D CA -0.293 53.661 54.000 -0.077 0.000 0.749 305 D CB 0.701 41.472 40.800 -0.049 0.000 1.264 305 D HN 0.309 nan 8.370 nan 0.000 0.421 306 N N 0.976 119.639 118.700 -0.062 0.000 2.820 306 N HA 0.136 4.866 4.740 -0.017 0.000 0.209 306 N C -1.234 174.255 175.510 -0.037 0.000 1.406 306 N CA -0.383 52.631 53.050 -0.061 0.000 0.916 306 N CB 0.524 38.992 38.487 -0.032 0.000 1.532 306 N HN 0.086 nan 8.380 nan 0.000 0.559 307 D N 0.784 121.160 120.400 -0.041 0.000 2.500 307 D HA 0.200 4.830 4.640 -0.017 0.000 0.217 307 D C 0.851 177.132 176.300 -0.031 0.000 1.159 307 D CA -0.046 53.936 54.000 -0.030 0.000 0.828 307 D CB 1.058 41.840 40.800 -0.031 0.000 1.039 307 D HN 0.450 nan 8.370 nan 0.000 0.512 308 I N 0.357 120.901 120.570 -0.043 0.000 3.269 308 I HA 0.332 4.493 4.170 -0.017 0.000 0.287 308 I C 0.877 176.976 176.117 -0.029 0.000 1.152 308 I CA -1.272 60.003 61.300 -0.043 0.000 1.263 308 I CB 0.117 38.078 38.000 -0.065 0.000 1.439 308 I HN -0.201 nan 8.210 nan 0.000 0.637 309 A N 1.608 124.414 122.820 -0.024 0.000 2.454 309 A HA 0.611 4.921 4.320 -0.017 0.000 0.260 309 A C 0.802 178.386 177.584 0.000 0.000 1.106 309 A CA 0.591 52.623 52.037 -0.009 0.000 0.780 309 A CB -0.907 18.088 19.000 -0.007 0.000 1.044 309 A HN 1.394 nan 8.150 nan 0.000 0.498 310 G N 1.745 110.556 108.800 0.019 0.000 1.781 310 G HA2 0.040 3.990 3.960 -0.017 0.000 0.082 310 G HA3 0.040 3.990 3.960 -0.017 0.000 0.082 310 G C -0.502 174.439 174.900 0.069 0.000 0.919 310 G CA -0.197 44.931 45.100 0.047 0.000 1.202 310 G HN 0.869 nan 8.290 nan 0.000 0.393 311 Q N 1.200 121.070 119.800 0.116 0.000 2.292 311 Q HA 0.507 4.837 4.340 -0.017 0.000 0.270 311 Q C -1.922 174.171 176.000 0.155 0.000 1.024 311 Q CA -1.702 54.190 55.803 0.149 0.000 0.768 311 Q CB 3.136 31.995 28.738 0.201 0.000 1.250 311 Q HN 0.320 nan 8.270 nan 0.000 0.447 312 P HA -0.022 nan 4.420 nan 0.000 0.206 312 P C -0.182 177.189 177.300 0.118 0.000 1.212 312 P CA 0.596 63.741 63.100 0.076 0.000 0.919 312 P CB 0.491 32.219 31.700 0.047 0.000 0.755 313 Q N -3.738 116.129 119.800 0.112 0.000 2.850 313 Q HA 0.506 4.836 4.340 -0.017 0.000 0.325 313 Q C -1.837 174.215 176.000 0.087 0.000 0.743 313 Q CA -0.237 55.647 55.803 0.134 0.000 1.032 313 Q CB -0.277 28.564 28.738 0.171 0.000 1.280 313 Q HN 0.177 nan 8.270 nan 0.000 0.480 320 R N 0.623 121.115 120.500 -0.013 0.000 2.652 320 R HA 0.572 4.902 4.340 -0.017 0.000 0.271 320 R C -1.608 174.682 176.300 -0.016 0.000 1.129 320 R CA -0.442 55.655 56.100 -0.006 0.000 1.200 320 R CB 0.083 30.385 30.300 0.005 0.000 1.146 320 R HN 0.425 nan 8.270 nan 0.000 0.581 321 P HA 0.309 nan 4.420 nan 0.000 0.318 321 P C -0.428 176.879 177.300 0.012 0.000 1.387 321 P CA -0.190 62.911 63.100 0.002 0.000 0.865 321 P CB 0.084 31.782 31.700 -0.003 0.000 2.164 322 V N -3.333 116.591 119.914 0.016 0.000 3.206 322 V HA 0.544 4.654 4.120 -0.017 0.000 0.305 322 V C 0.347 176.453 176.094 0.020 0.000 1.257 322 V CA -0.836 61.483 62.300 0.031 0.000 1.057 322 V CB 1.856 33.711 31.823 0.054 0.000 1.075 322 V HN 0.558 nan 8.190 nan 0.000 0.443 323 K N 0.760 121.180 120.400 0.033 0.000 2.557 323 K HA 0.328 4.638 4.320 -0.017 0.000 0.246 323 K C 0.986 177.589 176.600 0.006 0.000 1.206 323 K CA 1.340 57.641 56.287 0.023 0.000 0.820 323 K CB -0.741 31.785 32.500 0.044 0.000 1.588 323 K HN 1.994 nan 8.250 nan 0.000 0.409 324 S N 1.071 116.780 115.700 0.016 0.000 3.593 324 S HA -0.191 4.269 4.470 -0.017 0.000 0.301 324 S C 0.797 175.322 174.600 -0.125 0.000 1.209 324 S CA 0.933 59.106 58.200 -0.046 0.000 0.878 324 S CB -2.525 60.651 63.200 -0.040 0.000 1.000 324 S HN 0.580 nan 8.310 nan 0.000 0.578 325 I N -2.190 118.326 120.570 -0.090 0.000 4.237 325 I HA -0.464 3.696 4.170 -0.017 0.000 0.089 325 I C 2.215 178.276 176.117 -0.093 0.000 0.547 325 I CA 2.178 63.418 61.300 -0.100 0.000 1.130 325 I CB -1.724 36.172 38.000 -0.173 0.000 1.005 325 I HN 0.598 nan 8.210 nan 0.000 0.181 326 R N 1.486 121.925 120.500 -0.102 0.000 2.105 326 R HA -0.118 4.212 4.340 -0.017 0.000 0.239 326 R C 2.132 178.381 176.300 -0.086 0.000 1.135 326 R CA 2.181 58.219 56.100 -0.103 0.000 0.967 326 R CB -0.260 29.998 30.300 -0.070 0.000 0.861 326 R HN 0.620 nan 8.270 nan 0.000 0.442 327 A N 0.474 123.256 122.820 -0.063 0.000 2.066 327 A HA -0.056 4.254 4.320 -0.017 0.000 0.218 327 A C 2.152 179.708 177.584 -0.047 0.000 1.157 327 A CA 0.700 52.706 52.037 -0.051 0.000 0.670 327 A CB -0.252 18.726 19.000 -0.037 0.000 0.804 327 A HN 0.286 nan 8.150 nan 0.000 0.453 328 R N -0.701 119.772 120.500 -0.045 0.000 2.093 328 R HA 0.114 4.444 4.340 -0.017 0.000 0.224 328 R C 1.755 178.029 176.300 -0.043 0.000 1.101 328 R CA 1.057 57.136 56.100 -0.035 0.000 0.979 328 R CB -0.263 30.023 30.300 -0.024 0.000 0.877 328 R HN 0.484 nan 8.270 nan 0.000 0.441 329 L N 0.644 121.829 121.223 -0.063 0.000 2.162 329 L HA 0.007 4.337 4.340 -0.017 0.000 0.205 329 L C 1.147 177.971 176.870 -0.077 0.000 1.086 329 L CA 0.379 55.175 54.840 -0.074 0.000 0.778 329 L CB -0.308 41.684 42.059 -0.112 0.000 0.928 329 L HN 0.082 nan 8.230 nan 0.000 0.446 330 K N 1.498 121.847 120.400 -0.084 0.000 2.586 330 K HA -0.035 4.275 4.320 -0.017 0.000 0.280 330 K C 0.478 177.037 176.600 -0.069 0.000 0.972 330 K CA 0.245 56.482 56.287 -0.083 0.000 1.040 330 K CB 0.405 32.858 32.500 -0.078 0.000 0.870 330 K HN 0.122 nan 8.250 nan 0.000 0.497 331 G N 2.703 111.458 108.800 -0.075 0.000 2.474 331 G HA2 0.032 3.982 3.960 -0.017 0.000 0.233 331 G HA3 0.032 3.982 3.960 -0.017 0.000 0.233 331 G C -0.722 174.142 174.900 -0.060 0.000 1.278 331 G CA -0.021 45.040 45.100 -0.065 0.000 0.861 331 G HN 0.784 nan 8.290 nan 0.000 0.567 332 K N 0.435 120.809 120.400 -0.044 0.000 6.806 332 K HA -0.166 4.144 4.320 -0.017 0.000 0.764 332 K C 0.815 177.395 176.600 -0.033 0.000 2.469 332 K CA 0.933 57.197 56.287 -0.038 0.000 1.793 332 K CB -0.292 32.177 32.500 -0.051 0.000 2.301 332 K HN 0.839 nan 8.250 nan 0.000 0.246 333 E N -1.985 118.202 120.200 -0.023 0.000 3.562 333 E HA -0.252 4.088 4.350 -0.017 0.000 0.298 333 E C 0.702 177.290 176.600 -0.020 0.000 0.830 333 E CA 1.991 58.379 56.400 -0.019 0.000 1.013 333 E CB -1.697 27.990 29.700 -0.022 0.000 1.510 333 E HN 0.755 nan 8.360 nan 0.000 0.463 334 G N -0.096 108.689 108.800 -0.024 0.000 2.580 334 G HA2 0.262 4.212 3.960 -0.017 0.000 0.278 334 G HA3 0.262 4.212 3.960 -0.017 0.000 0.278 334 G C 1.027 175.916 174.900 -0.017 0.000 1.212 334 G CA -0.265 44.819 45.100 -0.027 0.000 0.939 334 G HN -0.091 nan 8.290 nan 0.000 0.513 335 R N -0.572 119.918 120.500 -0.017 0.000 2.133 335 R HA -0.081 4.249 4.340 -0.017 0.000 0.247 335 R C 2.220 178.518 176.300 -0.002 0.000 1.151 335 R CA 1.135 57.231 56.100 -0.007 0.000 0.971 335 R CB -0.515 29.781 30.300 -0.007 0.000 0.866 335 R HN 0.631 nan 8.270 nan 0.000 0.447 336 I N -0.533 120.032 120.570 -0.008 0.000 2.729 336 I HA -0.065 4.095 4.170 -0.017 0.000 0.256 336 I C 2.042 178.164 176.117 0.008 0.000 1.115 336 I CA 0.283 61.584 61.300 0.001 0.000 1.446 336 I CB -0.116 37.880 38.000 -0.006 0.000 1.176 336 I HN 0.021 nan 8.210 nan 0.000 0.446 337 R N 0.727 121.228 120.500 0.001 0.000 2.275 337 R HA 0.066 4.396 4.340 -0.017 0.000 0.199 337 R C 1.601 177.906 176.300 0.008 0.000 0.989 337 R CA 1.007 57.113 56.100 0.009 0.000 1.016 337 R CB 0.084 30.384 30.300 -0.001 0.000 0.918 337 R HN 0.374 nan 8.270 nan 0.000 0.473 338 G N -0.738 108.064 108.800 0.003 0.000 2.945 338 G HA2 -0.004 3.946 3.960 -0.017 0.000 0.225 338 G HA3 -0.004 3.946 3.960 -0.017 0.000 0.225 338 G C 0.660 175.565 174.900 0.008 0.000 1.046 338 G CA -0.181 44.921 45.100 0.004 0.000 0.842 338 G HN 0.133 nan 8.290 nan 0.000 0.543 339 N N -0.182 118.523 118.700 0.009 0.000 2.142 339 N HA 0.301 5.031 4.740 -0.017 0.000 0.233 339 N C 0.694 176.214 175.510 0.016 0.000 1.335 339 N CA -0.001 53.056 53.050 0.012 0.000 0.837 339 N CB 1.302 39.794 38.487 0.008 0.000 1.238 339 N HN 0.215 nan 8.380 nan 0.000 0.501 340 L N -0.644 120.589 121.223 0.018 0.000 2.966 340 L HA 0.360 4.690 4.340 -0.017 0.000 0.262 340 L C 1.267 178.151 176.870 0.022 0.000 1.068 340 L CA 0.303 55.156 54.840 0.021 0.000 1.004 340 L CB 0.418 42.490 42.059 0.022 0.000 1.629 340 L HN -0.043 nan 8.230 nan 0.000 0.542 341 M N -0.639 118.975 119.600 0.023 0.000 2.333 341 M HA 0.344 4.814 4.480 -0.017 0.000 0.257 341 M C 0.565 176.878 176.300 0.022 0.000 1.078 341 M CA 0.250 55.564 55.300 0.023 0.000 1.005 341 M CB 0.903 33.520 32.600 0.028 0.000 1.444 341 M HN 0.178 nan 8.290 nan 0.000 0.496 342 G N 1.634 110.448 108.800 0.022 0.000 4.184 342 G HA2 0.318 4.268 3.960 -0.017 0.000 0.282 342 G HA3 0.318 4.268 3.960 -0.017 0.000 0.282 342 G C -0.537 174.379 174.900 0.026 0.000 1.223 342 G CA -0.526 44.588 45.100 0.023 0.000 0.773 342 G HN 0.087 nan 8.290 nan 0.000 0.519 343 K N 0.327 120.746 120.400 0.032 0.000 2.168 343 K HA 0.415 4.725 4.320 -0.017 0.000 0.258 343 K C 0.271 176.897 176.600 0.042 0.000 1.010 343 K CA -0.604 55.704 56.287 0.035 0.000 0.929 343 K CB 1.263 33.787 32.500 0.040 0.000 0.998 343 K HN 0.203 nan 8.250 nan 0.000 0.479 344 R N 0.948 121.468 120.500 0.034 0.000 2.441 344 R HA 0.215 4.545 4.340 -0.017 0.000 0.284 344 R C -0.971 175.355 176.300 0.043 0.000 1.070 344 R CA -0.320 55.799 56.100 0.033 0.000 1.047 344 R CB 0.797 31.106 30.300 0.015 0.000 1.016 344 R HN 0.456 nan 8.270 nan 0.000 0.477 345 V N -0.212 119.733 119.914 0.052 0.000 2.876 345 V HA 0.530 4.640 4.120 -0.017 0.000 0.312 345 V C -0.348 175.764 176.094 0.031 0.000 1.085 345 V CA -1.188 61.157 62.300 0.076 0.000 0.945 345 V CB 2.152 34.068 31.823 0.154 0.000 1.017 345 V HN 0.635 nan 8.190 nan 0.000 0.428 346 D N 1.535 121.948 120.400 0.021 0.000 2.356 346 D HA 0.335 4.965 4.640 -0.017 0.000 0.258 346 D C 0.169 176.463 176.300 -0.011 0.000 1.279 346 D CA 0.266 54.167 54.000 -0.165 0.000 1.016 346 D CB 0.053 40.551 40.800 -0.503 0.000 1.107 346 D HN 0.715 nan 8.370 nan 0.000 0.544 347 F N -0.567 119.393 119.950 0.018 0.000 2.635 347 F HA -0.247 4.269 4.527 -0.017 0.000 0.228 347 F C 0.101 175.889 175.800 -0.020 0.000 1.029 347 F CA 0.032 58.051 58.000 0.031 0.000 0.907 347 F CB -1.953 37.089 39.000 0.070 0.000 0.893 347 F HN 0.067 nan 8.300 nan 0.000 0.845 348 S N -0.979 114.748 115.700 0.045 0.000 2.537 348 S HA 0.981 5.441 4.470 -0.017 0.000 0.271 348 S C -0.521 174.074 174.600 -0.009 0.000 1.148 348 S CA -0.533 57.617 58.200 -0.083 0.000 0.868 348 S CB 2.142 65.174 63.200 -0.281 0.000 1.115 348 S HN 1.116 nan 8.310 nan 0.000 0.461 349 A N 0.972 123.815 122.820 0.038 0.000 2.486 349 A HA 1.011 5.321 4.320 -0.017 0.000 0.289 349 A C -0.698 177.020 177.584 0.223 0.000 1.176 349 A CA -1.006 51.139 52.037 0.180 0.000 0.757 349 A CB 1.831 21.051 19.000 0.366 0.000 1.337 349 A HN 1.085 nan 8.150 nan 0.000 0.423 350 R N -0.598 120.113 120.500 0.351 0.000 2.633 350 R HA 0.644 4.974 4.340 -0.017 0.000 0.256 350 R C -1.500 175.002 176.300 0.337 0.000 1.131 350 R CA 0.522 56.786 56.100 0.274 0.000 0.994 350 R CB 1.236 31.598 30.300 0.103 0.000 1.261 350 R HN 1.011 nan 8.270 nan 0.000 0.446 351 T N 1.302 116.104 114.554 0.414 0.000 2.722 351 T HA 0.261 4.601 4.350 -0.017 0.000 0.314 351 T C -1.170 173.695 174.700 0.274 0.000 1.675 351 T CA -0.599 61.672 62.100 0.284 0.000 1.003 351 T CB 1.171 70.123 68.868 0.140 0.000 1.602 351 T HN 0.304 nan 8.240 nan 0.000 0.496 352 V N 2.054 122.067 119.914 0.164 0.000 2.872 352 V HA 0.284 4.395 4.120 -0.017 0.000 0.307 352 V C 0.270 176.488 176.094 0.207 0.000 1.072 352 V CA 0.154 62.545 62.300 0.152 0.000 1.148 352 V CB 0.071 31.950 31.823 0.093 0.000 0.954 352 V HN 0.657 nan 8.190 nan 0.000 0.490 353 I N 2.497 123.205 120.570 0.229 0.000 2.493 353 I HA 0.855 5.015 4.170 -0.017 0.000 0.298 353 I C -0.020 176.151 176.117 0.090 0.000 0.998 353 I CA -0.242 61.206 61.300 0.246 0.000 1.137 353 I CB 2.106 40.322 38.000 0.361 0.000 1.310 353 I HN 0.587 nan 8.210 nan 0.000 0.445 354 S N 2.765 118.304 115.700 -0.267 0.000 2.599 354 S HA 0.813 5.273 4.470 -0.017 0.000 0.287 354 S C -0.083 173.769 174.600 -1.246 0.000 1.105 354 S CA -0.753 56.964 58.200 -0.806 0.000 0.899 354 S CB 1.394 64.365 63.200 -0.381 0.000 1.100 354 S HN 1.071 nan 8.310 nan 0.000 0.482 355 G N 0.286 108.138 108.800 -1.580 0.000 2.403 355 G HA2 0.452 4.402 3.960 -0.017 0.000 0.259 355 G HA3 0.452 4.402 3.960 -0.017 0.000 0.259 355 G C -1.069 173.637 174.900 -0.323 0.000 1.244 355 G CA -0.206 44.403 45.100 -0.819 0.000 0.849 355 G HN 0.696 nan 8.290 nan 0.000 0.532 356 D N 2.683 122.991 120.400 -0.153 0.000 2.542 356 D HA 0.272 4.902 4.640 -0.017 0.000 0.252 356 D C -1.733 174.567 176.300 -0.000 0.000 1.222 356 D CA -1.643 52.315 54.000 -0.071 0.000 0.895 356 D CB 2.954 43.715 40.800 -0.067 0.000 1.207 356 D HN 0.141 nan 8.370 nan 0.000 0.558 357 P HA 0.028 nan 4.420 nan 0.000 0.229 357 P C 0.387 177.726 177.300 0.065 0.000 1.160 357 P CA 0.396 63.521 63.100 0.041 0.000 0.777 357 P CB 0.664 32.382 31.700 0.030 0.000 0.814 358 N N -0.586 118.158 118.700 0.074 0.000 2.214 358 N HA 0.186 4.916 4.740 -0.017 0.000 0.214 358 N C 0.527 176.083 175.510 0.077 0.000 1.132 358 N CA -0.032 53.086 53.050 0.113 0.000 0.856 358 N CB 0.350 38.932 38.487 0.158 0.000 1.020 358 N HN 0.230 nan 8.380 nan 0.000 0.509 359 L N 0.489 121.744 121.223 0.053 0.000 2.454 359 L HA 0.273 4.603 4.340 -0.017 0.000 0.256 359 L C 0.756 177.663 176.870 0.061 0.000 1.136 359 L CA -0.471 54.397 54.840 0.046 0.000 0.804 359 L CB 0.794 42.869 42.059 0.027 0.000 1.181 359 L HN -0.081 nan 8.230 nan 0.000 0.469 360 E N 0.558 120.794 120.200 0.060 0.000 2.222 360 E HA 0.118 4.458 4.350 -0.017 0.000 0.272 360 E C 0.573 177.214 176.600 0.070 0.000 0.982 360 E CA -0.612 55.829 56.400 0.069 0.000 0.842 360 E CB 2.124 31.862 29.700 0.063 0.000 1.144 360 E HN 0.407 nan 8.360 nan 0.000 0.397 361 L N 2.582 123.844 121.223 0.066 0.000 2.010 361 L HA -0.256 4.074 4.340 -0.017 0.000 0.219 361 L C 1.479 178.374 176.870 0.043 0.000 1.077 361 L CA 2.450 57.312 54.840 0.036 0.000 0.773 361 L CB -0.320 41.750 42.059 0.019 0.000 0.892 361 L HN 0.582 nan 8.230 nan 0.000 0.436 362 D N -1.256 119.152 120.400 0.012 0.000 2.332 362 D HA -0.062 4.568 4.640 -0.017 0.000 0.244 362 D C 0.358 176.689 176.300 0.051 0.000 1.136 362 D CA 0.134 54.095 54.000 -0.065 0.000 0.884 362 D CB -0.273 40.488 40.800 -0.065 0.000 0.906 362 D HN 0.544 nan 8.370 nan 0.000 0.520 363 Q N -0.483 119.415 119.800 0.163 0.000 2.241 363 Q HA 0.588 4.918 4.340 -0.017 0.000 0.262 363 Q C -1.202 174.885 176.000 0.144 0.000 1.014 363 Q CA -1.122 54.772 55.803 0.151 0.000 0.885 363 Q CB 3.177 31.956 28.738 0.068 0.000 1.311 363 Q HN 0.028 nan 8.270 nan 0.000 0.461 364 V N 0.088 119.981 119.914 -0.035 0.000 2.623 364 V HA 0.588 4.698 4.120 -0.017 0.000 0.304 364 V C -0.443 175.564 176.094 -0.144 0.000 1.054 364 V CA -0.330 61.796 62.300 -0.291 0.000 0.882 364 V CB 1.760 33.277 31.823 -0.510 0.000 1.002 364 V HN 0.875 nan 8.190 nan 0.000 0.424 365 G N 6.070 114.797 108.800 -0.122 0.000 3.209 365 G HA2 0.386 4.336 3.960 -0.017 0.000 0.274 365 G HA3 0.386 4.336 3.960 -0.017 0.000 0.274 365 G C -0.098 174.832 174.900 0.049 0.000 0.850 365 G CA -0.173 44.911 45.100 -0.026 0.000 1.907 365 G HN 0.763 nan 8.290 nan 0.000 0.591 366 V N 3.330 123.275 119.914 0.052 0.000 2.485 366 V HA 0.085 4.195 4.120 -0.017 0.000 0.287 366 V C -1.633 174.389 176.094 -0.121 0.000 1.022 366 V CA -1.075 61.249 62.300 0.039 0.000 1.067 366 V CB 1.173 33.052 31.823 0.094 0.000 0.967 366 V HN 0.412 nan 8.190 nan 0.000 0.479 367 P HA 0.201 nan 4.420 nan 0.000 0.275 367 P C 0.689 177.876 177.300 -0.188 0.000 1.228 367 P CA -0.468 62.495 63.100 -0.228 0.000 0.786 367 P CB 0.890 32.409 31.700 -0.303 0.000 0.927 368 K N 1.547 121.839 120.400 -0.180 0.000 2.000 368 K HA -0.208 4.102 4.320 -0.017 0.000 0.218 368 K C 1.960 178.467 176.600 -0.154 0.000 1.053 368 K CA 2.684 58.847 56.287 -0.206 0.000 0.946 368 K CB -0.703 31.678 32.500 -0.198 0.000 0.723 368 K HN 0.589 nan 8.250 nan 0.000 0.446 369 S N 0.409 116.028 115.700 -0.136 0.000 2.493 369 S HA -0.117 4.344 4.470 -0.017 0.000 0.243 369 S C 1.822 176.363 174.600 -0.098 0.000 0.991 369 S CA 1.028 59.162 58.200 -0.111 0.000 0.957 369 S CB -0.598 62.544 63.200 -0.097 0.000 0.756 369 S HN 0.295 nan 8.310 nan 0.000 0.521 370 I N 1.398 121.904 120.570 -0.105 0.000 2.339 370 I HA 0.072 4.232 4.170 -0.017 0.000 0.245 370 I C 2.921 179.027 176.117 -0.018 0.000 1.096 370 I CA 0.941 62.205 61.300 -0.060 0.000 1.408 370 I CB -0.737 37.215 38.000 -0.080 0.000 1.092 370 I HN 0.403 nan 8.210 nan 0.000 0.423 371 A N 0.639 123.444 122.820 -0.025 0.000 2.168 371 A HA -0.111 4.199 4.320 -0.017 0.000 0.215 371 A C 2.189 179.735 177.584 -0.063 0.000 1.152 371 A CA 0.984 53.043 52.037 0.037 0.000 0.716 371 A CB -0.415 18.640 19.000 0.093 0.000 0.794 371 A HN 0.278 nan 8.150 nan 0.000 0.465 372 K N -0.814 119.479 120.400 -0.179 0.000 2.288 372 K HA -0.052 4.258 4.320 -0.017 0.000 0.201 372 K C 1.086 177.448 176.600 -0.396 0.000 1.048 372 K CA 1.568 57.586 56.287 -0.448 0.000 0.956 372 K CB 0.069 32.433 32.500 -0.227 0.000 0.746 372 K HN 0.562 nan 8.250 nan 0.000 0.461 373 T N -0.173 114.314 114.554 -0.111 0.000 2.987 373 T HA 0.194 4.534 4.350 -0.017 0.000 0.248 373 T C 0.547 175.328 174.700 0.134 0.000 0.997 373 T CA -0.218 61.899 62.100 0.028 0.000 1.013 373 T CB 0.424 69.306 68.868 0.024 0.000 1.077 373 T HN -0.046 nan 8.240 nan 0.000 0.483 374 L N 2.882 124.194 121.223 0.148 0.000 2.325 374 L HA 0.382 4.712 4.340 -0.017 0.000 0.284 374 L C 0.647 177.694 176.870 0.296 0.000 1.089 374 L CA -0.312 54.668 54.840 0.235 0.000 0.836 374 L CB 0.864 43.049 42.059 0.211 0.000 1.184 374 L HN 0.109 nan 8.230 nan 0.000 0.444 375 T N 2.288 117.060 114.554 0.363 0.000 2.881 375 T HA 0.343 4.683 4.350 -0.017 0.000 0.278 375 T C -1.126 173.751 174.700 0.295 0.000 0.982 375 T CA -0.157 62.144 62.100 0.334 0.000 0.989 375 T CB 0.741 69.806 68.868 0.329 0.000 1.058 375 T HN 0.394 nan 8.240 nan 0.000 0.529 376 Y N 3.171 123.524 120.300 0.088 0.000 2.344 376 Y HA 0.431 4.971 4.550 -0.017 0.000 0.328 376 Y C -2.692 173.214 175.900 0.010 0.000 1.067 376 Y CA -2.618 55.484 58.100 0.004 0.000 1.247 376 Y CB 1.270 39.739 38.460 0.015 0.000 1.113 376 Y HN 0.516 nan 8.280 nan 0.000 0.465 377 P HA -0.060 nan 4.420 nan 0.000 0.253 377 P C -0.767 176.108 177.300 -0.707 0.000 1.159 377 P CA 0.907 63.731 63.100 -0.459 0.000 0.779 377 P CB 0.317 31.799 31.700 -0.363 0.000 0.745 378 E N 2.766 122.767 120.200 -0.331 0.000 2.272 378 E HA 0.366 4.706 4.350 -0.017 0.000 0.269 378 E C -0.988 175.588 176.600 -0.041 0.000 0.877 378 E CA -0.944 55.350 56.400 -0.176 0.000 0.755 378 E CB 1.475 31.169 29.700 -0.010 0.000 1.192 378 E HN 0.023 nan 8.360 nan 0.000 0.422 379 V N 2.992 122.909 119.914 0.005 0.000 2.785 379 V HA 0.253 4.363 4.120 -0.017 0.000 0.300 379 V C 0.347 176.493 176.094 0.087 0.000 1.062 379 V CA -0.850 61.487 62.300 0.061 0.000 1.029 379 V CB 1.135 33.001 31.823 0.070 0.000 1.024 379 V HN 0.554 nan 8.190 nan 0.000 0.477 380 V N 0.941 120.912 119.914 0.095 0.000 2.461 380 V HA 0.678 4.788 4.120 -0.017 0.000 0.275 380 V C 0.111 176.261 176.094 0.093 0.000 1.047 380 V CA -0.074 62.261 62.300 0.059 0.000 0.955 380 V CB 0.380 32.189 31.823 -0.023 0.000 0.988 380 V HN 0.974 nan 8.190 nan 0.000 0.471 381 T N 4.520 119.138 114.554 0.107 0.000 2.932 381 T HA 0.537 4.877 4.350 -0.017 0.000 0.289 381 T C -1.981 172.755 174.700 0.060 0.000 1.039 381 T CA -1.679 60.498 62.100 0.128 0.000 1.024 381 T CB 1.847 70.843 68.868 0.213 0.000 1.090 381 T HN 0.463 nan 8.240 nan 0.000 0.496 382 P HA -0.114 nan 4.420 nan 0.000 0.226 382 P C 0.623 177.864 177.300 -0.099 0.000 1.146 382 P CA 1.185 64.284 63.100 -0.001 0.000 0.773 382 P CB -0.159 31.510 31.700 -0.052 0.000 0.772 383 Y N 1.698 122.044 120.300 0.077 0.000 2.184 383 Y HA -0.165 4.375 4.550 -0.017 0.000 0.290 383 Y C 2.320 178.239 175.900 0.032 0.000 1.129 383 Y CA 1.460 59.588 58.100 0.048 0.000 1.144 383 Y CB -1.000 37.488 38.460 0.046 0.000 0.995 383 Y HN 0.160 nan 8.280 nan 0.000 0.513 384 N N -0.486 118.323 118.700 0.181 0.000 2.322 384 N HA 0.019 4.750 4.740 -0.017 0.000 0.181 384 N C 1.167 176.701 175.510 0.039 0.000 1.088 384 N CA 0.404 53.518 53.050 0.108 0.000 0.885 384 N CB -0.876 37.682 38.487 0.118 0.000 1.013 384 N HN 0.273 nan 8.380 nan 0.000 0.472 385 I N 1.289 121.858 120.570 -0.002 0.000 2.248 385 I HA -0.296 3.864 4.170 -0.017 0.000 0.248 385 I C 1.293 177.383 176.117 -0.047 0.000 1.107 385 I CA 1.406 62.670 61.300 -0.060 0.000 1.373 385 I CB -0.307 37.603 38.000 -0.151 0.000 1.055 385 I HN 0.155 nan 8.210 nan 0.000 0.418 386 D N 0.499 120.885 120.400 -0.024 0.000 2.123 386 D HA -0.231 4.399 4.640 -0.017 0.000 0.196 386 D C 2.221 178.515 176.300 -0.010 0.000 0.992 386 D CA 1.365 55.355 54.000 -0.017 0.000 0.833 386 D CB -0.271 40.529 40.800 0.000 0.000 0.954 386 D HN 0.430 nan 8.370 nan 0.000 0.455 387 R N 0.415 120.916 120.500 0.002 0.000 2.200 387 R HA 0.031 4.361 4.340 -0.017 0.000 0.208 387 R C 2.242 178.537 176.300 -0.008 0.000 1.033 387 R CA 0.345 56.446 56.100 0.001 0.000 1.000 387 R CB -0.068 30.242 30.300 0.015 0.000 0.906 387 R HN 0.152 nan 8.270 nan 0.000 0.462 388 L N 0.044 121.260 121.223 -0.010 0.000 2.168 388 L HA 0.013 4.343 4.340 -0.017 0.000 0.203 388 L C 2.040 178.893 176.870 -0.028 0.000 1.078 388 L CA 1.169 56.001 54.840 -0.014 0.000 0.780 388 L CB -0.080 41.977 42.059 -0.004 0.000 0.939 388 L HN 0.213 nan 8.230 nan 0.000 0.451 389 T N -1.225 113.303 114.554 -0.043 0.000 2.788 389 T HA -0.277 4.063 4.350 -0.017 0.000 0.268 389 T C 1.687 176.365 174.700 -0.036 0.000 1.044 389 T CA 1.456 63.528 62.100 -0.047 0.000 1.139 389 T CB -0.200 68.628 68.868 -0.066 0.000 0.867 389 T HN 0.197 nan 8.240 nan 0.000 0.454 390 Q N 0.541 120.321 119.800 -0.032 0.000 2.234 390 Q HA -0.037 4.293 4.340 -0.017 0.000 0.206 390 Q C 2.023 178.004 176.000 -0.031 0.000 0.980 390 Q CA 1.180 56.966 55.803 -0.027 0.000 0.869 390 Q CB -0.518 28.207 28.738 -0.022 0.000 0.912 390 Q HN 0.425 nan 8.270 nan 0.000 0.436 391 L N -0.814 120.387 121.223 -0.037 0.000 2.023 391 L HA -0.114 4.217 4.340 -0.017 0.000 0.205 391 L C 2.286 179.119 176.870 -0.061 0.000 1.073 391 L CA 1.207 56.014 54.840 -0.057 0.000 0.745 391 L CB -0.950 41.071 42.059 -0.063 0.000 0.900 391 L HN 0.207 nan 8.230 nan 0.000 0.435 392 V N 0.144 120.031 119.914 -0.045 0.000 2.278 392 V HA -0.358 3.752 4.120 -0.017 0.000 0.251 392 V C 2.673 178.748 176.094 -0.031 0.000 1.062 392 V CA 2.214 64.493 62.300 -0.034 0.000 1.038 392 V CB -0.919 30.898 31.823 -0.010 0.000 0.646 392 V HN 0.490 nan 8.190 nan 0.000 0.447 393 R N 0.409 120.893 120.500 -0.026 0.000 2.105 393 R HA -0.201 4.129 4.340 -0.017 0.000 0.239 393 R C 2.045 178.334 176.300 -0.018 0.000 1.135 393 R CA 2.045 58.133 56.100 -0.020 0.000 0.967 393 R CB -0.290 29.998 30.300 -0.019 0.000 0.861 393 R HN 0.546 nan 8.270 nan 0.000 0.442 394 N N -0.188 118.498 118.700 -0.023 0.000 2.459 394 N HA 0.032 4.762 4.740 -0.017 0.000 0.181 394 N C 0.400 175.910 175.510 -0.000 0.000 1.046 394 N CA 1.088 54.131 53.050 -0.011 0.000 0.904 394 N CB 0.136 38.614 38.487 -0.015 0.000 0.964 394 N HN 0.470 nan 8.380 nan 0.000 0.444 395 G N 0.349 109.137 108.800 -0.019 0.000 2.915 395 G HA2 -0.202 3.748 3.960 -0.017 0.000 0.337 395 G HA3 -0.202 3.748 3.960 -0.017 0.000 0.337 395 G C -2.169 172.765 174.900 0.057 0.000 1.477 395 G CA -0.566 44.531 45.100 -0.004 0.000 0.916 395 G HN 0.097 nan 8.290 nan 0.000 0.550 396 P HA 0.074 nan 4.420 nan 0.000 0.269 396 P C 0.785 178.226 177.300 0.235 0.000 1.376 396 P CA 1.127 64.379 63.100 0.255 0.000 0.775 396 P CB -0.363 31.420 31.700 0.139 0.000 1.345 397 N N -1.014 117.795 118.700 0.182 0.000 2.909 397 N HA 0.009 4.739 4.740 -0.017 0.000 0.243 397 N C 0.293 175.875 175.510 0.121 0.000 1.018 397 N CA -0.365 52.747 53.050 0.104 0.000 1.068 397 N CB 0.140 38.654 38.487 0.046 0.000 1.651 397 N HN 0.009 nan 8.380 nan 0.000 0.509 398 E N 1.470 121.736 120.200 0.111 0.000 2.498 398 E HA -0.140 4.200 4.350 -0.017 0.000 0.252 398 E C 0.732 177.438 176.600 0.177 0.000 1.025 398 E CA -0.065 56.400 56.400 0.109 0.000 0.938 398 E CB 0.397 30.134 29.700 0.063 0.000 0.947 398 E HN 0.257 nan 8.360 nan 0.000 0.478 399 H N 5.411 124.532 119.070 0.085 0.000 2.266 399 H HA -0.171 4.374 4.556 -0.018 0.000 0.286 399 H C -1.346 174.111 175.328 0.216 0.000 1.102 399 H CA 2.344 58.458 56.048 0.110 0.000 1.182 399 H CB -1.017 28.775 29.762 0.050 0.000 1.345 399 H HN 0.488 nan 8.280 nan 0.000 0.485 400 P HA 0.189 nan 4.420 nan 0.000 0.225 400 P C -0.103 177.137 177.300 -0.099 0.000 1.768 400 P CA 0.591 63.524 63.100 -0.278 0.000 0.943 400 P CB 0.152 31.727 31.700 -0.207 0.000 1.936 401 G N 0.093 108.885 108.800 -0.013 0.000 2.857 401 G HA2 0.803 4.753 3.960 -0.017 0.000 0.217 401 G HA3 0.803 4.753 3.960 -0.017 0.000 0.217 401 G C -1.109 173.298 174.900 -0.822 0.000 1.357 401 G CA -0.606 44.351 45.100 -0.239 0.000 1.033 401 G HN 0.383 nan 8.290 nan 0.000 0.571 402 A N -1.336 121.005 122.820 -0.798 0.000 2.608 402 A HA 0.710 5.020 4.320 -0.017 0.000 0.292 402 A C -0.988 176.464 177.584 -0.220 0.000 1.066 402 A CA -0.701 50.983 52.037 -0.588 0.000 0.676 402 A CB 1.389 20.254 19.000 -0.225 0.000 1.277 402 A HN 0.550 nan 8.150 nan 0.000 0.413 403 K N 0.216 120.614 120.400 -0.003 0.000 2.340 403 K HA 0.691 5.001 4.320 -0.017 0.000 0.244 403 K C -1.483 175.220 176.600 0.171 0.000 0.973 403 K CA -0.705 55.619 56.287 0.061 0.000 0.828 403 K CB 1.483 34.086 32.500 0.171 0.000 1.226 403 K HN 0.725 nan 8.250 nan 0.000 0.437 404 Y N -1.354 118.977 120.300 0.052 0.000 2.528 404 Y HA -0.257 4.286 4.550 -0.012 0.000 0.026 404 Y C -0.619 175.298 175.900 0.029 0.000 1.721 404 Y CA -0.197 57.926 58.100 0.039 0.000 1.404 404 Y CB -0.793 37.692 38.460 0.042 0.000 2.050 404 Y HN 0.241 nan 8.280 nan 0.000 0.257 405 V N 5.463 125.481 119.914 0.173 0.000 2.524 405 V HA 0.494 4.604 4.120 -0.017 0.000 0.297 405 V C -0.257 175.858 176.094 0.035 0.000 1.035 405 V CA -0.794 61.582 62.300 0.126 0.000 0.867 405 V CB 1.641 33.560 31.823 0.159 0.000 1.004 405 V HN 0.479 nan 8.190 nan 0.000 0.426 406 I N 5.120 125.679 120.570 -0.018 0.000 2.396 406 I HA 0.522 4.682 4.170 -0.017 0.000 0.292 406 I C 0.701 176.534 176.117 -0.475 0.000 0.999 406 I CA 0.174 61.371 61.300 -0.171 0.000 1.310 406 I CB 1.106 39.038 38.000 -0.113 0.000 1.404 406 I HN 0.549 nan 8.210 nan 0.000 0.496 407 R N 2.627 122.695 120.500 -0.721 0.000 2.730 407 R HA 0.333 4.663 4.340 -0.017 0.000 0.228 407 R C 0.713 176.497 176.300 -0.859 0.000 1.312 407 R CA -0.487 54.759 56.100 -1.424 0.000 1.093 407 R CB 0.331 29.945 30.300 -1.143 0.000 1.583 407 R HN 0.740 nan 8.270 nan 0.000 0.535 408 D N -0.466 119.523 120.400 -0.685 0.000 2.091 408 D HA -0.178 4.452 4.640 -0.017 0.000 0.199 408 D C 1.431 177.639 176.300 -0.153 0.000 0.980 408 D CA 1.443 55.320 54.000 -0.206 0.000 0.831 408 D CB -0.339 40.502 40.800 0.070 0.000 0.987 408 D HN 0.381 nan 8.370 nan 0.000 0.460 409 S N -1.249 114.366 115.700 -0.142 0.000 2.474 409 S HA 0.184 4.644 4.470 -0.017 0.000 0.235 409 S C 1.942 176.473 174.600 -0.114 0.000 0.997 409 S CA 0.533 58.673 58.200 -0.099 0.000 0.949 409 S CB -0.361 62.798 63.200 -0.067 0.000 0.766 409 S HN 0.839 nan 8.310 nan 0.000 0.517 410 G N 0.840 109.542 108.800 -0.164 0.000 2.159 410 G HA2 -0.114 3.836 3.960 -0.017 0.000 0.170 410 G HA3 -0.114 3.836 3.960 -0.017 0.000 0.170 410 G C -0.745 174.076 174.900 -0.132 0.000 1.007 410 G CA -0.190 44.825 45.100 -0.142 0.000 0.672 410 G HN 0.513 nan 8.290 nan 0.000 0.507 411 D N 0.361 120.666 120.400 -0.158 0.000 2.350 411 D HA 0.389 5.019 4.640 -0.017 0.000 0.249 411 D C 0.637 176.865 176.300 -0.120 0.000 1.119 411 D CA 0.041 53.968 54.000 -0.121 0.000 0.886 411 D CB 1.200 41.929 40.800 -0.117 0.000 1.195 411 D HN 0.315 nan 8.370 nan 0.000 0.437 412 R N 1.730 122.197 120.500 -0.054 0.000 2.265 412 R HA 0.380 4.710 4.340 -0.017 0.000 0.319 412 R C -0.738 175.589 176.300 0.044 0.000 1.006 412 R CA -0.685 55.419 56.100 0.007 0.000 0.880 412 R CB 0.507 30.832 30.300 0.043 0.000 1.077 412 R HN 0.260 nan 8.270 nan 0.000 0.454 413 I N 3.946 124.558 120.570 0.071 0.000 2.428 413 I HA 0.103 4.263 4.170 -0.017 0.000 0.279 413 I C -0.377 175.758 176.117 0.030 0.000 1.040 413 I CA -0.484 60.842 61.300 0.043 0.000 1.171 413 I CB 1.101 39.114 38.000 0.020 0.000 1.312 413 I HN 0.497 nan 8.210 nan 0.000 0.470 414 D N 4.861 125.238 120.400 -0.038 0.000 2.414 414 D HA 0.120 4.750 4.640 -0.017 0.000 0.242 414 D C 0.825 177.039 176.300 -0.144 0.000 1.129 414 D CA 0.466 54.319 54.000 -0.244 0.000 0.885 414 D CB 1.242 41.947 40.800 -0.158 0.000 1.198 414 D HN 0.397 nan 8.370 nan 0.000 0.437 415 L N 3.294 124.388 121.223 -0.216 0.000 2.500 415 L HA 0.080 4.410 4.340 -0.017 0.000 0.219 415 L C 2.440 179.273 176.870 -0.061 0.000 1.057 415 L CA -0.128 54.654 54.840 -0.096 0.000 0.854 415 L CB -0.065 41.944 42.059 -0.084 0.000 1.078 415 L HN 0.422 nan 8.230 nan 0.000 0.480 416 R N -0.294 120.164 120.500 -0.069 0.000 2.096 416 R HA -0.120 4.210 4.340 -0.017 0.000 0.235 416 R C 0.783 176.998 176.300 -0.142 0.000 1.127 416 R CA 0.938 56.983 56.100 -0.090 0.000 0.968 416 R CB -0.614 29.629 30.300 -0.096 0.000 0.861 416 R HN 0.142 nan 8.270 nan 0.000 0.440 417 Y N 1.491 121.736 120.300 -0.092 0.000 2.707 417 Y HA 0.200 4.747 4.550 -0.005 0.000 0.409 417 Y C 1.008 176.875 175.900 -0.055 0.000 1.343 417 Y CA 0.460 58.522 58.100 -0.065 0.000 1.663 417 Y CB 0.135 38.555 38.460 -0.066 0.000 1.678 417 Y HN 0.254 nan 8.280 nan 0.000 0.687 418 S N -0.457 115.349 115.700 0.176 0.000 3.547 418 S HA -0.225 4.235 4.470 -0.017 0.000 0.832 418 S C 0.238 174.865 174.600 0.046 0.000 1.254 418 S CA 0.626 58.875 58.200 0.080 0.000 0.991 418 S CB -0.428 62.802 63.200 0.049 0.000 0.544 418 S HN 0.806 nan 8.310 nan 0.000 0.369 419 K N 1.788 122.209 120.400 0.035 0.000 2.358 419 K HA 0.330 4.640 4.320 -0.017 0.000 0.197 419 K C 1.206 177.817 176.600 0.018 0.000 1.025 419 K CA -0.114 56.186 56.287 0.022 0.000 1.104 419 K CB 0.158 32.671 32.500 0.021 0.000 0.855 419 K HN 0.452 nan 8.250 nan 0.000 0.531 420 R N 0.467 120.980 120.500 0.023 0.000 2.586 420 R HA 0.284 4.614 4.340 -0.017 0.000 0.336 420 R C 0.775 177.088 176.300 0.021 0.000 1.060 420 R CA 0.207 56.321 56.100 0.023 0.000 1.079 420 R CB 0.981 31.300 30.300 0.033 0.000 1.317 420 R HN 0.254 nan 8.270 nan 0.000 0.568 421 A N 0.333 123.161 122.820 0.013 0.000 2.168 421 A HA 0.016 4.326 4.320 -0.017 0.000 0.215 421 A C 1.640 179.224 177.584 0.000 0.000 1.152 421 A CA 1.139 53.180 52.037 0.006 0.000 0.716 421 A CB -0.013 18.984 19.000 -0.004 0.000 0.794 421 A HN 0.334 nan 8.150 nan 0.000 0.465 422 G N -0.334 108.466 108.800 -0.000 0.000 3.518 422 G HA2 0.394 4.344 3.960 -0.017 0.000 0.273 422 G HA3 0.394 4.344 3.960 -0.017 0.000 0.273 422 G C 0.240 175.138 174.900 -0.005 0.000 1.199 422 G CA 0.658 45.755 45.100 -0.005 0.000 0.899 422 G HN 0.629 nan 8.290 nan 0.000 0.533 423 D N -0.841 119.558 120.400 -0.001 0.000 2.192 423 D HA -0.052 4.579 4.640 -0.017 0.000 0.054 423 D C 0.370 176.669 176.300 -0.002 0.000 1.440 423 D CA -0.338 53.658 54.000 -0.006 0.000 1.003 423 D CB -0.301 40.496 40.800 -0.005 0.000 2.941 423 D HN 0.297 nan 8.370 nan 0.000 0.201 424 I N 1.410 121.985 120.570 0.009 0.000 8.816 424 I HA -0.208 3.952 4.170 -0.017 0.000 0.126 424 I C -0.577 175.524 176.117 -0.027 0.000 1.837 424 I CA 0.363 61.678 61.300 0.023 0.000 2.079 424 I CB -0.341 37.703 38.000 0.074 0.000 3.855 424 I HN 0.336 nan 8.210 nan 0.000 0.182 425 Q N 6.590 126.356 119.800 -0.057 0.000 2.294 425 Q HA 0.463 4.793 4.340 -0.017 0.000 0.257 425 Q C -0.368 175.450 176.000 -0.304 0.000 0.955 425 Q CA -0.343 55.372 55.803 -0.147 0.000 0.936 425 Q CB 1.372 30.031 28.738 -0.132 0.000 1.188 425 Q HN 0.427 nan 8.270 nan 0.000 0.420 426 L N 3.369 124.394 121.223 -0.329 0.000 2.325 426 L HA 0.130 4.461 4.340 -0.017 0.000 0.284 426 L C 0.516 176.985 176.870 -0.668 0.000 1.089 426 L CA -0.198 54.354 54.840 -0.480 0.000 0.836 426 L CB 0.572 42.450 42.059 -0.301 0.000 1.184 426 L HN 0.462 nan 8.230 nan 0.000 0.444 427 Q N 2.150 121.309 119.800 -1.068 0.000 2.312 427 Q HA 0.235 4.565 4.340 -0.017 0.000 0.236 427 Q C -1.115 174.478 176.000 -0.677 0.000 0.965 427 Q CA -0.192 55.074 55.803 -0.896 0.000 0.894 427 Q CB 0.861 28.969 28.738 -1.050 0.000 1.225 427 Q HN 0.281 nan 8.270 nan 0.000 0.478 428 Y N 0.702 120.827 120.300 -0.292 0.000 2.526 428 Y HA 0.283 4.824 4.550 -0.015 0.000 0.330 428 Y C 1.341 177.212 175.900 -0.048 0.000 1.156 428 Y CA 1.150 59.163 58.100 -0.145 0.000 1.419 428 Y CB 0.794 39.196 38.460 -0.097 0.000 1.250 428 Y HN 0.803 nan 8.280 nan 0.000 0.540 429 G N 2.046 110.956 108.800 0.184 0.000 2.303 429 G HA2 -0.231 3.719 3.960 -0.017 0.000 0.260 429 G HA3 -0.231 3.719 3.960 -0.017 0.000 0.260 429 G C -1.187 173.964 174.900 0.418 0.000 1.106 429 G CA -0.763 44.479 45.100 0.238 0.000 0.900 429 G HN 0.494 nan 8.290 nan 0.000 0.495 430 W N -0.080 121.226 121.300 0.009 0.000 2.819 430 W HA 0.646 5.295 4.660 -0.019 0.000 0.337 430 W C 0.339 176.850 176.519 -0.013 0.000 1.077 430 W CA -1.784 55.558 57.345 -0.006 0.000 1.226 430 W CB 1.319 30.771 29.460 -0.014 0.000 1.419 430 W HN 0.112 nan 8.180 nan 0.000 0.502 431 K N 1.448 121.935 120.400 0.146 0.000 2.322 431 K HA 0.429 4.739 4.320 -0.017 0.000 0.283 431 K C -0.602 176.055 176.600 0.093 0.000 1.042 431 K CA -0.264 56.061 56.287 0.063 0.000 0.958 431 K CB 0.961 33.454 32.500 -0.013 0.000 0.984 431 K HN 0.177 nan 8.250 nan 0.000 0.473 432 V N 4.301 124.257 119.914 0.070 0.000 2.313 432 V HA 0.065 4.175 4.120 -0.017 0.000 0.262 432 V C -0.414 175.711 176.094 0.052 0.000 1.011 432 V CA -0.679 61.669 62.300 0.079 0.000 0.858 432 V CB 0.593 32.462 31.823 0.077 0.000 1.104 432 V HN 0.766 nan 8.190 nan 0.000 0.456 433 E N 4.127 124.370 120.200 0.071 0.000 2.606 433 E HA 0.091 4.431 4.350 -0.017 0.000 0.248 433 E C 0.324 176.987 176.600 0.105 0.000 1.005 433 E CA 0.270 56.722 56.400 0.087 0.000 0.946 433 E CB 0.455 30.239 29.700 0.141 0.000 0.928 433 E HN 0.711 nan 8.360 nan 0.000 0.494 434 R N 2.228 122.791 120.500 0.106 0.000 2.807 434 R HA 0.404 4.734 4.340 -0.017 0.000 0.276 434 R C -0.204 176.207 176.300 0.184 0.000 0.979 434 R CA -0.921 55.220 56.100 0.067 0.000 0.928 434 R CB 0.799 31.131 30.300 0.053 0.000 1.191 434 R HN 0.332 nan 8.270 nan 0.000 0.471 435 H N 1.002 120.141 119.070 0.115 0.000 2.765 435 H HA 0.136 4.681 4.556 -0.019 0.000 0.385 435 H C 0.251 175.653 175.328 0.123 0.000 1.562 435 H CA -0.179 55.942 56.048 0.122 0.000 1.473 435 H CB 0.261 30.075 29.762 0.086 0.000 1.536 435 H HN 0.469 nan 8.280 nan 0.000 0.610 436 I N 1.397 122.138 120.570 0.284 0.000 2.353 436 I HA 0.138 4.298 4.170 -0.017 0.000 0.293 436 I C 0.829 177.047 176.117 0.170 0.000 0.992 436 I CA -0.173 61.245 61.300 0.196 0.000 1.268 436 I CB 0.579 38.680 38.000 0.168 0.000 1.387 436 I HN 0.172 nan 8.210 nan 0.000 0.478 437 M N 3.228 122.887 119.600 0.099 0.000 2.114 437 M HA 0.215 4.685 4.480 -0.017 0.000 0.293 437 M C -0.188 176.174 176.300 0.103 0.000 1.201 437 M CA -0.462 54.879 55.300 0.068 0.000 1.107 437 M CB 0.343 32.964 32.600 0.035 0.000 1.405 437 M HN 0.428 nan 8.290 nan 0.000 0.486 438 D N 1.225 121.686 120.400 0.103 0.000 2.372 438 D HA 0.111 4.741 4.640 -0.017 0.000 0.243 438 D C -0.488 175.839 176.300 0.046 0.000 1.121 438 D CA 0.558 54.607 54.000 0.082 0.000 0.898 438 D CB 0.162 41.009 40.800 0.080 0.000 1.202 438 D HN 0.478 nan 8.370 nan 0.000 0.428 439 N N 1.455 120.176 118.700 0.036 0.000 2.610 439 N HA -0.185 4.545 4.740 -0.017 0.000 0.271 439 N C -1.640 173.868 175.510 -0.002 0.000 1.146 439 N CA 0.749 53.810 53.050 0.018 0.000 0.711 439 N CB -0.711 37.785 38.487 0.015 0.000 0.883 439 N HN 0.356 nan 8.380 nan 0.000 0.548 440 D N -0.327 120.069 120.400 -0.008 0.000 2.601 440 D HA 0.533 5.163 4.640 -0.017 0.000 0.230 440 D C -2.617 173.660 176.300 -0.039 0.000 1.106 440 D CA -1.314 52.654 54.000 -0.053 0.000 0.873 440 D CB 1.557 42.316 40.800 -0.068 0.000 1.515 440 D HN -0.030 nan 8.370 nan 0.000 0.468 441 P HA 0.299 nan 4.420 nan 0.000 0.287 441 P C -1.115 176.184 177.300 -0.002 0.000 1.281 441 P CA -0.607 62.475 63.100 -0.030 0.000 0.781 441 P CB 0.918 32.586 31.700 -0.053 0.000 0.903 442 V N 1.622 121.576 119.914 0.066 0.000 2.733 442 V HA 0.403 4.514 4.120 -0.017 0.000 0.306 442 V C -0.613 175.592 176.094 0.185 0.000 1.084 442 V CA -1.014 61.355 62.300 0.116 0.000 0.905 442 V CB 2.052 33.950 31.823 0.125 0.000 1.010 442 V HN 0.369 nan 8.190 nan 0.000 0.424 443 L N 4.739 126.071 121.223 0.183 0.000 2.369 443 L HA 0.482 4.812 4.340 -0.017 0.000 0.279 443 L C -1.132 175.896 176.870 0.263 0.000 1.108 443 L CA -0.224 54.729 54.840 0.188 0.000 0.852 443 L CB 0.641 42.739 42.059 0.066 0.000 1.169 443 L HN 0.832 nan 8.230 nan 0.000 0.452 444 F N 6.939 126.951 119.950 0.104 0.000 2.382 444 F HA 0.353 4.870 4.527 -0.017 0.000 0.361 444 F C 0.133 175.898 175.800 -0.059 0.000 1.109 444 F CA -0.867 57.096 58.000 -0.061 0.000 1.031 444 F CB 0.589 39.421 39.000 -0.280 0.000 1.234 444 F HN 0.535 nan 8.300 nan 0.000 0.445 445 N N 5.374 123.789 118.700 -0.475 0.000 2.592 445 N HA 0.549 5.279 4.740 -0.017 0.000 0.292 445 N C -1.516 173.653 175.510 -0.567 0.000 1.260 445 N CA -0.768 52.080 53.050 -0.336 0.000 0.910 445 N CB 2.178 40.595 38.487 -0.116 0.000 1.257 445 N HN 0.698 nan 8.380 nan 0.000 0.569 446 R N 0.469 120.807 120.500 -0.269 0.000 2.548 446 R HA 0.182 4.512 4.340 -0.017 0.000 0.280 446 R C -1.321 174.928 176.300 -0.085 0.000 1.061 446 R CA -0.419 55.543 56.100 -0.230 0.000 0.915 446 R CB 1.484 31.656 30.300 -0.214 0.000 1.210 446 R HN 0.638 nan 8.270 nan 0.000 0.442 447 Q N 3.770 123.524 119.800 -0.076 0.000 2.293 447 Q HA 0.332 4.662 4.340 -0.017 0.000 0.251 447 Q C -2.086 173.896 176.000 -0.031 0.000 0.930 447 Q CA -1.422 54.358 55.803 -0.038 0.000 0.893 447 Q CB 0.969 29.689 28.738 -0.029 0.000 1.215 447 Q HN 0.396 nan 8.270 nan 0.000 0.425 448 P HA 0.045 nan 4.420 nan 0.000 0.282 448 P C -1.060 176.228 177.300 -0.020 0.000 1.262 448 P CA -0.414 62.673 63.100 -0.022 0.000 0.773 448 P CB 0.922 32.606 31.700 -0.027 0.000 0.879 449 S N 2.936 118.627 115.700 -0.015 0.000 3.072 449 S HA 0.193 4.653 4.470 -0.017 0.000 0.306 449 S C 0.777 175.363 174.600 -0.024 0.000 1.207 449 S CA -0.635 57.563 58.200 -0.002 0.000 1.008 449 S CB -0.898 62.302 63.200 -0.000 0.000 1.390 449 S HN 0.334 nan 8.310 nan 0.000 0.523 450 L N -0.326 120.857 121.223 -0.066 0.000 2.848 450 L HA 0.622 4.953 4.340 -0.017 0.000 0.240 450 L C 0.175 176.906 176.870 -0.231 0.000 1.232 450 L CA -0.057 54.690 54.840 -0.154 0.000 1.031 450 L CB -1.550 40.383 42.059 -0.209 0.000 1.338 450 L HN 0.685 nan 8.230 nan 0.000 0.509 451 H N -0.523 118.513 119.070 -0.056 0.000 3.870 451 H HA 0.392 4.938 4.556 -0.017 0.000 0.354 451 H C 0.245 175.529 175.328 -0.072 0.000 1.614 451 H CA -0.290 55.715 56.048 -0.073 0.000 1.119 451 H CB 1.221 30.939 29.762 -0.074 0.000 1.548 451 H HN 0.007 nan 8.280 nan 0.000 0.751 452 K N -0.296 120.159 120.400 0.092 0.000 2.387 452 K HA 0.166 4.476 4.320 -0.017 0.000 0.197 452 K C 1.291 177.862 176.600 -0.049 0.000 1.127 452 K CA 0.485 56.768 56.287 -0.007 0.000 0.950 452 K CB 0.325 32.794 32.500 -0.052 0.000 1.017 452 K HN 0.155 nan 8.250 nan 0.000 0.519 453 M N 1.912 121.406 119.600 -0.177 0.000 2.530 453 M HA 0.029 4.499 4.480 -0.017 0.000 0.261 453 M C 1.424 177.586 176.300 -0.230 0.000 1.067 453 M CA 1.085 56.187 55.300 -0.331 0.000 1.071 453 M CB -0.293 31.882 32.600 -0.709 0.000 1.405 453 M HN 0.179 nan 8.290 nan 0.000 0.478 454 S N -0.933 114.788 115.700 0.034 0.000 2.489 454 S HA 0.188 4.648 4.470 -0.017 0.000 0.228 454 S C 0.781 175.553 174.600 0.287 0.000 0.995 454 S CA 0.563 58.880 58.200 0.195 0.000 0.934 454 S CB 0.019 63.331 63.200 0.186 0.000 0.771 454 S HN 0.370 nan 8.310 nan 0.000 0.522 455 M N 2.084 121.771 119.600 0.144 0.000 2.016 455 M HA 0.421 4.891 4.480 -0.017 0.000 0.315 455 M C -1.300 175.083 176.300 0.138 0.000 0.930 455 M CA 0.323 55.705 55.300 0.136 0.000 0.899 455 M CB 0.917 33.534 32.600 0.029 0.000 1.401 455 M HN 0.108 nan 8.290 nan 0.000 0.386 456 M N 1.641 121.421 119.600 0.299 0.000 2.393 456 M HA 0.593 5.063 4.480 -0.017 0.000 0.316 456 M C 0.053 176.548 176.300 0.325 0.000 1.087 456 M CA -0.697 54.742 55.300 0.232 0.000 0.937 456 M CB 2.321 35.017 32.600 0.161 0.000 1.668 456 M HN 0.599 nan 8.290 nan 0.000 0.438 457 A N 2.545 125.447 122.820 0.136 0.000 2.445 457 A HA 0.412 4.722 4.320 -0.017 0.000 0.242 457 A C -0.604 177.004 177.584 0.039 0.000 1.075 457 A CA 0.274 52.385 52.037 0.123 0.000 0.777 457 A CB 0.212 19.231 19.000 0.032 0.000 1.013 457 A HN 0.891 nan 8.150 nan 0.000 0.493 458 H N 0.139 119.245 119.070 0.059 0.000 2.977 458 H HA 0.409 4.955 4.556 -0.016 0.000 0.350 458 H C -0.636 174.689 175.328 -0.004 0.000 1.238 458 H CA -0.751 55.311 56.048 0.022 0.000 1.124 458 H CB 1.672 31.422 29.762 -0.020 0.000 1.866 458 H HN 0.764 nan 8.280 nan 0.000 0.550 459 R N 0.779 121.347 120.500 0.113 0.000 2.428 459 R HA 0.377 4.707 4.340 -0.017 0.000 0.294 459 R C -0.971 175.361 176.300 0.054 0.000 1.000 459 R CA -0.666 55.469 56.100 0.058 0.000 0.960 459 R CB 1.059 31.380 30.300 0.036 0.000 1.076 459 R HN 0.215 nan 8.270 nan 0.000 0.475 460 V N 4.380 124.318 119.914 0.039 0.000 2.334 460 V HA 0.188 4.298 4.120 -0.017 0.000 0.267 460 V C -0.227 175.892 176.094 0.042 0.000 1.040 460 V CA -0.439 61.885 62.300 0.039 0.000 0.866 460 V CB 0.964 32.819 31.823 0.052 0.000 1.019 460 V HN 0.556 nan 8.190 nan 0.000 0.468 461 K N 4.970 125.387 120.400 0.028 0.000 2.414 461 K HA 0.421 4.731 4.320 -0.017 0.000 0.251 461 K C -0.740 175.866 176.600 0.010 0.000 1.037 461 K CA -0.377 55.927 56.287 0.027 0.000 0.980 461 K CB 1.056 33.567 32.500 0.019 0.000 1.280 461 K HN 0.431 nan 8.250 nan 0.000 0.451 462 V N 6.560 126.484 119.914 0.017 0.000 2.458 462 V HA 0.064 4.174 4.120 -0.017 0.000 0.287 462 V C 0.325 176.356 176.094 -0.105 0.000 1.009 462 V CA 0.121 62.384 62.300 -0.063 0.000 1.091 462 V CB -0.903 30.842 31.823 -0.129 0.000 0.960 462 V HN 0.639 nan 8.190 nan 0.000 0.476 463 I N 5.323 125.831 120.570 -0.103 0.000 2.646 463 I HA 0.779 4.939 4.170 -0.017 0.000 0.299 463 I C -2.446 173.628 176.117 -0.072 0.000 1.036 463 I CA -2.724 58.536 61.300 -0.067 0.000 1.074 463 I CB 1.780 39.762 38.000 -0.029 0.000 1.258 463 I HN 0.302 nan 8.210 nan 0.000 0.430 464 P HA 0.258 nan 4.420 nan 0.000 0.277 464 P C -1.116 176.251 177.300 0.110 0.000 1.276 464 P CA 0.038 63.119 63.100 -0.031 0.000 0.788 464 P CB 0.154 31.827 31.700 -0.046 0.000 1.114 465 Y N -2.649 117.596 120.300 -0.091 0.000 2.506 465 Y HA -0.230 4.311 4.550 -0.014 0.000 0.031 465 Y C 1.406 177.234 175.900 -0.120 0.000 1.701 465 Y CA 1.110 59.155 58.100 -0.091 0.000 1.419 465 Y CB -1.902 36.511 38.460 -0.078 0.000 2.065 465 Y HN 0.405 nan 8.280 nan 0.000 0.254 466 S N -1.875 113.854 115.700 0.048 0.000 2.614 466 S HA 0.259 4.719 4.470 -0.017 0.000 0.230 466 S C 0.156 174.684 174.600 -0.121 0.000 0.952 466 S CA 0.062 58.220 58.200 -0.069 0.000 0.949 466 S CB -0.358 62.803 63.200 -0.065 0.000 0.786 466 S HN 0.762 nan 8.310 nan 0.000 0.478 467 T N -0.191 114.312 114.554 -0.085 0.000 2.907 467 T HA 0.602 4.942 4.350 -0.017 0.000 0.284 467 T C -0.414 174.214 174.700 -0.120 0.000 1.004 467 T CA -0.767 61.280 62.100 -0.088 0.000 1.063 467 T CB 0.480 69.314 68.868 -0.056 0.000 0.992 467 T HN 0.194 nan 8.240 nan 0.000 0.483 468 F N 2.288 122.229 119.950 -0.014 0.000 2.471 468 F HA 0.320 4.838 4.527 -0.015 0.000 0.365 468 F C 1.434 177.184 175.800 -0.084 0.000 1.095 468 F CA -0.690 57.291 58.000 -0.030 0.000 1.174 468 F CB 0.640 39.697 39.000 0.094 0.000 1.105 468 F HN 0.294 nan 8.300 nan 0.000 0.535 469 R N 5.594 126.139 120.500 0.074 0.000 2.445 469 R HA 0.741 5.071 4.340 -0.017 0.000 0.308 469 R C -1.374 174.882 176.300 -0.073 0.000 0.961 469 R CA -1.025 55.042 56.100 -0.055 0.000 0.862 469 R CB 1.735 31.988 30.300 -0.079 0.000 1.144 469 R HN 0.505 nan 8.270 nan 0.000 0.447 470 L N -1.092 120.100 121.223 -0.052 0.000 2.479 470 L HA 0.495 4.825 4.340 -0.017 0.000 0.255 470 L C -0.376 176.541 176.870 0.078 0.000 1.026 470 L CA -1.145 53.701 54.840 0.009 0.000 0.842 470 L CB 0.999 43.086 42.059 0.045 0.000 1.444 470 L HN 0.373 nan 8.230 nan 0.000 0.409 471 N N 0.531 119.291 118.700 0.100 0.000 2.458 471 N HA 0.147 4.877 4.740 -0.017 0.000 0.258 471 N C 0.727 176.310 175.510 0.121 0.000 1.219 471 N CA 0.099 53.202 53.050 0.088 0.000 0.902 471 N CB 0.981 39.500 38.487 0.054 0.000 1.076 471 N HN 0.797 nan 8.380 nan 0.000 0.455 472 L N 2.060 123.348 121.223 0.108 0.000 2.275 472 L HA -0.081 4.249 4.340 -0.017 0.000 0.215 472 L C 1.821 178.716 176.870 0.040 0.000 1.119 472 L CA 0.754 55.673 54.840 0.133 0.000 0.790 472 L CB -0.117 42.016 42.059 0.122 0.000 0.919 472 L HN 0.441 nan 8.230 nan 0.000 0.443 473 S N -1.476 114.191 115.700 -0.056 0.000 2.556 473 S HA 0.077 4.537 4.470 -0.017 0.000 0.216 473 S C 1.191 175.634 174.600 -0.262 0.000 0.970 473 S CA -0.051 58.026 58.200 -0.206 0.000 0.912 473 S CB 0.724 63.679 63.200 -0.409 0.000 0.790 473 S HN 0.177 nan 8.310 nan 0.000 0.504 474 V N 1.873 121.729 119.914 -0.097 0.000 3.249 474 V HA 0.133 4.243 4.120 -0.017 0.000 0.338 474 V C 1.693 177.871 176.094 0.140 0.000 1.363 474 V CA 0.592 62.891 62.300 -0.002 0.000 1.205 474 V CB -0.282 31.625 31.823 0.139 0.000 1.164 474 V HN 0.439 nan 8.190 nan 0.000 0.458 475 T N -0.444 114.149 114.554 0.065 0.000 2.809 475 T HA -0.111 4.229 4.350 -0.017 0.000 0.260 475 T C 2.043 176.773 174.700 0.050 0.000 1.039 475 T CA 2.155 64.298 62.100 0.071 0.000 1.141 475 T CB 0.074 68.932 68.868 -0.017 0.000 0.869 475 T HN 0.621 nan 8.240 nan 0.000 0.437 476 S N 1.861 117.555 115.700 -0.011 0.000 2.383 476 S HA 0.001 4.462 4.470 -0.017 0.000 0.227 476 S C -0.478 174.114 174.600 -0.013 0.000 1.026 476 S CA 1.094 59.282 58.200 -0.020 0.000 0.981 476 S CB -0.893 62.286 63.200 -0.035 0.000 0.818 476 S HN 0.608 nan 8.310 nan 0.000 0.472 477 P HA 0.056 nan 4.420 nan 0.000 0.230 477 P C 0.591 177.852 177.300 -0.065 0.000 1.168 477 P CA 0.814 63.831 63.100 -0.138 0.000 0.793 477 P CB -0.072 31.425 31.700 -0.340 0.000 0.851 478 Y N -0.208 120.116 120.300 0.039 0.000 2.231 478 Y HA 0.040 4.581 4.550 -0.016 0.000 0.294 478 Y C 0.770 176.674 175.900 0.007 0.000 1.120 478 Y CA 0.528 58.645 58.100 0.029 0.000 1.141 478 Y CB -0.128 38.340 38.460 0.014 0.000 1.022 478 Y HN -0.048 nan 8.280 nan 0.000 0.523 479 N N -0.218 118.574 118.700 0.153 0.000 3.038 479 N HA -0.123 4.607 4.740 -0.017 0.000 0.257 479 N C -1.576 173.940 175.510 0.010 0.000 1.098 479 N CA 0.598 53.678 53.050 0.049 0.000 0.669 479 N CB -1.201 37.301 38.487 0.024 0.000 1.007 479 N HN 0.352 nan 8.380 nan 0.000 0.574 480 A N 1.336 124.143 122.820 -0.023 0.000 2.446 480 A HA 0.567 4.877 4.320 -0.017 0.000 0.282 480 A C -0.730 176.687 177.584 -0.279 0.000 1.102 480 A CA -0.732 51.251 52.037 -0.089 0.000 0.737 480 A CB 0.861 19.841 19.000 -0.033 0.000 1.212 480 A HN 0.289 nan 8.150 nan 0.000 0.434 481 D N 0.863 121.094 120.400 -0.282 0.000 2.432 481 D HA 0.460 5.090 4.640 -0.017 0.000 0.258 481 D C 0.044 176.077 176.300 -0.446 0.000 1.146 481 D CA -0.315 53.410 54.000 -0.458 0.000 1.015 481 D CB 0.454 41.126 40.800 -0.212 0.000 1.107 481 D HN 0.440 nan 8.370 nan 0.000 0.529 482 F N -0.382 119.584 119.950 0.027 0.000 2.668 482 F HA 0.092 4.609 4.527 -0.016 0.000 0.297 482 F C 1.222 177.035 175.800 0.021 0.000 1.124 482 F CA -0.605 57.411 58.000 0.026 0.000 1.353 482 F CB -0.151 38.863 39.000 0.024 0.000 0.992 482 F HN 0.151 nan 8.300 nan 0.000 0.524 483 D N -0.283 120.175 120.400 0.097 0.000 2.390 483 D HA 0.091 4.721 4.640 -0.017 0.000 0.235 483 D C 1.690 178.035 176.300 0.076 0.000 1.040 483 D CA 0.895 54.938 54.000 0.072 0.000 0.923 483 D CB -0.092 40.727 40.800 0.031 0.000 0.886 483 D HN 0.339 nan 8.370 nan 0.000 0.532 484 G N -0.188 108.677 108.800 0.108 0.000 2.154 484 G HA2 -0.222 3.728 3.960 -0.017 0.000 0.186 484 G HA3 -0.222 3.728 3.960 -0.017 0.000 0.186 484 G C -0.599 174.348 174.900 0.079 0.000 1.000 484 G CA -0.352 44.804 45.100 0.093 0.000 0.664 484 G HN 0.368 nan 8.290 nan 0.000 0.513 485 D N 0.895 121.340 120.400 0.074 0.000 2.533 485 D HA 0.369 4.999 4.640 -0.017 0.000 0.236 485 D C 0.539 176.876 176.300 0.061 0.000 1.137 485 D CA 0.828 54.855 54.000 0.045 0.000 0.867 485 D CB 0.697 41.507 40.800 0.016 0.000 1.170 485 D HN 0.459 nan 8.370 nan 0.000 0.474 486 E N 2.077 122.296 120.200 0.031 0.000 2.197 486 E HA 0.407 4.747 4.350 -0.017 0.000 0.281 486 E C -0.676 175.908 176.600 -0.028 0.000 0.995 486 E CA -0.524 55.899 56.400 0.037 0.000 0.808 486 E CB 0.880 30.602 29.700 0.036 0.000 1.093 486 E HN 0.378 nan 8.360 nan 0.000 0.394 487 M N 2.558 122.134 119.600 -0.040 0.000 2.821 487 M HA 0.463 4.933 4.480 -0.017 0.000 0.304 487 M C -0.711 175.397 176.300 -0.321 0.000 1.233 487 M CA -0.690 54.441 55.300 -0.283 0.000 0.851 487 M CB 1.822 34.143 32.600 -0.465 0.000 1.723 487 M HN 0.447 nan 8.290 nan 0.000 0.493 488 N N 1.056 119.386 118.700 -0.615 0.000 2.357 488 N HA 0.708 5.438 4.740 -0.017 0.000 0.284 488 N C -1.966 173.315 175.510 -0.381 0.000 1.236 488 N CA -0.615 52.220 53.050 -0.359 0.000 0.774 488 N CB 3.030 41.430 38.487 -0.144 0.000 1.534 488 N HN 0.509 nan 8.380 nan 0.000 0.478 489 L N 0.785 121.972 121.223 -0.061 0.000 2.482 489 L HA 0.468 4.798 4.340 -0.017 0.000 0.263 489 L C -1.437 175.490 176.870 0.095 0.000 0.957 489 L CA -0.500 54.435 54.840 0.158 0.000 0.836 489 L CB 2.050 44.215 42.059 0.176 0.000 1.324 489 L HN 0.600 nan 8.230 nan 0.000 0.406 490 H N 3.355 122.494 119.070 0.115 0.000 2.747 490 H HA 0.640 5.187 4.556 -0.016 0.000 0.371 490 H C -1.330 174.071 175.328 0.122 0.000 1.161 490 H CA -0.951 55.172 56.048 0.125 0.000 1.167 490 H CB 2.760 32.579 29.762 0.094 0.000 1.732 490 H HN 0.323 nan 8.280 nan 0.000 0.544 491 V N 3.980 124.031 119.914 0.229 0.000 2.482 491 V HA 0.179 4.289 4.120 -0.017 0.000 0.295 491 V C -2.070 174.053 176.094 0.048 0.000 1.026 491 V CA -1.614 60.763 62.300 0.129 0.000 0.856 491 V CB 1.683 33.590 31.823 0.138 0.000 1.001 491 V HN 0.620 nan 8.190 nan 0.000 0.424 492 P HA 0.108 nan 4.420 nan 0.000 0.270 492 P C -0.408 176.949 177.300 0.095 0.000 1.221 492 P CA 0.159 63.278 63.100 0.031 0.000 0.788 492 P CB 1.054 32.762 31.700 0.013 0.000 0.904 493 Q N -1.237 118.614 119.800 0.085 0.000 2.384 493 Q HA 0.147 4.477 4.340 -0.017 0.000 0.264 493 Q C 0.640 176.679 176.000 0.066 0.000 0.825 493 Q CA 0.378 56.200 55.803 0.031 0.000 0.984 493 Q CB 0.082 28.686 28.738 -0.223 0.000 1.183 493 Q HN 0.353 nan 8.270 nan 0.000 0.537 494 S N 1.393 117.145 115.700 0.086 0.000 2.617 494 S HA 0.119 4.579 4.470 -0.017 0.000 0.269 494 S C 1.073 175.779 174.600 0.177 0.000 1.292 494 S CA -0.273 57.979 58.200 0.086 0.000 1.010 494 S CB 1.193 64.421 63.200 0.047 0.000 0.944 494 S HN 0.089 nan 8.310 nan 0.000 0.536 495 E N 1.650 121.944 120.200 0.157 0.000 2.208 495 E HA -0.120 4.220 4.350 -0.017 0.000 0.193 495 E C 1.929 178.576 176.600 0.078 0.000 0.988 495 E CA 0.817 57.307 56.400 0.151 0.000 0.828 495 E CB -0.036 29.743 29.700 0.133 0.000 0.763 495 E HN 0.833 nan 8.360 nan 0.000 0.478 496 E N -0.126 120.111 120.200 0.062 0.000 2.106 496 E HA -0.115 4.225 4.350 -0.017 0.000 0.192 496 E C 1.817 178.437 176.600 0.032 0.000 0.984 496 E CA 1.451 57.876 56.400 0.041 0.000 0.806 496 E CB -0.450 29.271 29.700 0.036 0.000 0.750 496 E HN -0.050 nan 8.360 nan 0.000 0.458 497 T N 0.890 115.467 114.554 0.038 0.000 2.746 497 T HA -0.115 4.225 4.350 -0.017 0.000 0.267 497 T C 1.816 176.527 174.700 0.018 0.000 1.039 497 T CA 1.284 63.400 62.100 0.027 0.000 1.142 497 T CB -0.193 68.697 68.868 0.036 0.000 0.866 497 T HN 0.176 nan 8.240 nan 0.000 0.444 498 R N 1.013 121.524 120.500 0.019 0.000 2.122 498 R HA -0.153 4.177 4.340 -0.017 0.000 0.236 498 R C 2.882 179.174 176.300 -0.013 0.000 1.129 498 R CA 1.660 57.748 56.100 -0.020 0.000 0.925 498 R CB -0.912 29.358 30.300 -0.050 0.000 0.850 498 R HN 0.411 nan 8.270 nan 0.000 0.431 499 A N 1.138 123.958 122.820 -0.001 0.000 1.915 499 A HA -0.307 4.003 4.320 -0.017 0.000 0.220 499 A C 2.043 179.624 177.584 -0.004 0.000 1.198 499 A CA 2.124 54.160 52.037 -0.001 0.000 0.647 499 A CB -0.706 18.300 19.000 0.010 0.000 0.825 499 A HN 0.511 nan 8.150 nan 0.000 0.456 500 E N -1.084 119.116 120.200 -0.000 0.000 2.160 500 E HA -0.181 4.159 4.350 -0.017 0.000 0.195 500 E C 1.793 178.386 176.600 -0.012 0.000 0.991 500 E CA 1.000 57.396 56.400 -0.006 0.000 0.810 500 E CB -0.061 29.636 29.700 -0.006 0.000 0.742 500 E HN 0.451 nan 8.360 nan 0.000 0.466 501 L N 0.145 121.363 121.223 -0.008 0.000 2.034 501 L HA -0.081 4.249 4.340 -0.017 0.000 0.203 501 L C 2.467 179.329 176.870 -0.014 0.000 1.074 501 L CA 1.948 56.785 54.840 -0.006 0.000 0.748 501 L CB -1.385 40.678 42.059 0.007 0.000 0.905 501 L HN 0.193 nan 8.230 nan 0.000 0.439 502 S N -1.396 114.293 115.700 -0.017 0.000 2.561 502 S HA -0.066 4.394 4.470 -0.017 0.000 0.225 502 S C 1.451 176.035 174.600 -0.026 0.000 0.977 502 S CA 0.378 58.563 58.200 -0.024 0.000 0.926 502 S CB 0.014 63.200 63.200 -0.024 0.000 0.769 502 S HN 0.381 nan 8.310 nan 0.000 0.533 503 Q N -0.447 119.338 119.800 -0.024 0.000 2.217 503 Q HA 0.450 4.781 4.340 -0.017 0.000 0.217 503 Q C 0.562 176.539 176.000 -0.037 0.000 0.844 503 Q CA 0.211 55.998 55.803 -0.027 0.000 0.957 503 Q CB 0.524 29.252 28.738 -0.018 0.000 1.127 503 Q HN 0.451 nan 8.270 nan 0.000 0.503 504 L N -2.294 118.906 121.223 -0.038 0.000 2.603 504 L HA 0.113 4.443 4.340 -0.017 0.000 0.189 504 L C 1.636 178.477 176.870 -0.048 0.000 1.082 504 L CA 0.682 55.492 54.840 -0.048 0.000 0.921 504 L CB -0.629 41.403 42.059 -0.046 0.000 1.694 504 L HN -0.012 nan 8.230 nan 0.000 0.491 505 C N 0.953 120.230 119.300 -0.038 0.000 2.514 505 C HA 0.465 4.915 4.460 -0.017 0.000 0.271 505 C C 1.513 176.476 174.990 -0.046 0.000 1.399 505 C CA -0.620 58.378 59.018 -0.033 0.000 1.765 505 C CB -1.056 26.678 27.740 -0.009 0.000 1.893 505 C HN 0.416 nan 8.230 nan 0.000 0.531 506 A N 1.239 124.028 122.820 -0.051 0.000 2.583 506 A HA 0.178 4.488 4.320 -0.017 0.000 0.249 506 A C 1.451 178.971 177.584 -0.107 0.000 1.035 506 A CA 0.447 52.438 52.037 -0.076 0.000 0.777 506 A CB 0.170 19.135 19.000 -0.057 0.000 0.942 506 A HN 0.332 nan 8.150 nan 0.000 0.516 507 V N 4.704 124.508 119.914 -0.184 0.000 2.277 507 V HA -0.260 3.850 4.120 -0.017 0.000 0.253 507 V C -0.130 175.898 176.094 -0.110 0.000 1.067 507 V CA 2.890 65.072 62.300 -0.198 0.000 1.047 507 V CB -1.532 30.092 31.823 -0.332 0.000 0.649 507 V HN 0.840 nan 8.190 nan 0.000 0.447 508 P HA -0.135 nan 4.420 nan 0.000 0.215 508 P C 1.868 179.154 177.300 -0.022 0.000 1.153 508 P CA 1.255 64.342 63.100 -0.020 0.000 0.853 508 P CB -0.105 31.590 31.700 -0.009 0.000 0.788 509 L N -1.006 120.195 121.223 -0.037 0.000 2.261 509 L HA -0.167 4.164 4.340 -0.017 0.000 0.216 509 L C 1.929 178.775 176.870 -0.040 0.000 1.114 509 L CA 1.441 56.262 54.840 -0.032 0.000 0.777 509 L CB -0.577 41.458 42.059 -0.040 0.000 0.910 509 L HN -0.003 nan 8.230 nan 0.000 0.440 510 Q N -1.179 118.583 119.800 -0.064 0.000 2.198 510 Q HA 0.210 4.540 4.340 -0.017 0.000 0.209 510 Q C 1.943 177.889 176.000 -0.091 0.000 0.848 510 Q CA 0.102 55.851 55.803 -0.091 0.000 0.974 510 Q CB 0.711 29.372 28.738 -0.128 0.000 1.115 510 Q HN 0.536 nan 8.270 nan 0.000 0.494 511 I N -0.256 120.286 120.570 -0.046 0.000 2.113 511 I HA -0.156 4.004 4.170 -0.017 0.000 0.238 511 I C 1.211 177.306 176.117 -0.036 0.000 1.070 511 I CA 0.857 62.153 61.300 -0.005 0.000 1.332 511 I CB 0.072 38.117 38.000 0.075 0.000 1.044 511 I HN -0.028 nan 8.210 nan 0.000 0.402 512 V N 0.801 120.681 119.914 -0.056 0.000 2.686 512 V HA 0.078 4.188 4.120 -0.017 0.000 0.295 512 V C 0.357 176.397 176.094 -0.090 0.000 1.055 512 V CA -0.116 62.117 62.300 -0.112 0.000 1.050 512 V CB 1.493 33.241 31.823 -0.125 0.000 0.984 512 V HN 0.271 nan 8.190 nan 0.000 0.482 513 S N 8.021 123.664 115.700 -0.095 0.000 2.411 513 S HA 0.471 4.931 4.470 -0.017 0.000 0.294 513 S C -1.982 172.607 174.600 -0.020 0.000 1.115 513 S CA -1.364 56.794 58.200 -0.070 0.000 1.071 513 S CB 1.152 64.314 63.200 -0.062 0.000 0.967 513 S HN 0.764 nan 8.310 nan 0.000 0.488 514 P HA 0.143 nan 4.420 nan 0.000 0.226 514 P C -0.074 177.298 177.300 0.120 0.000 1.758 514 P CA 0.261 63.374 63.100 0.022 0.000 0.896 514 P CB 0.065 31.750 31.700 -0.025 0.000 1.784 515 Q N -0.957 118.920 119.800 0.128 0.000 2.439 515 Q HA 0.114 4.444 4.340 -0.017 0.000 0.193 515 Q C 0.512 176.596 176.000 0.140 0.000 0.724 515 Q CA 0.150 56.041 55.803 0.146 0.000 0.919 515 Q CB 0.123 28.848 28.738 -0.021 0.000 1.289 515 Q HN 0.003 nan 8.270 nan 0.000 0.440 516 S N 2.165 117.927 115.700 0.104 0.000 2.749 516 S HA 0.068 4.528 4.470 -0.017 0.000 0.246 516 S C -0.061 174.671 174.600 0.221 0.000 1.023 516 S CA 0.344 58.640 58.200 0.160 0.000 1.012 516 S CB 0.236 63.514 63.200 0.129 0.000 0.942 516 S HN 0.604 nan 8.310 nan 0.000 0.531 517 N N 2.324 121.125 118.700 0.168 0.000 2.654 517 N HA -0.297 4.433 4.740 -0.017 0.000 0.248 517 N C -0.389 175.179 175.510 0.097 0.000 1.116 517 N CA 1.671 54.812 53.050 0.151 0.000 0.730 517 N CB -1.937 36.689 38.487 0.233 0.000 1.040 517 N HN 0.701 nan 8.380 nan 0.000 0.548 518 K N -2.747 117.667 120.400 0.023 0.000 2.469 518 K HA 0.597 4.907 4.320 -0.017 0.000 0.254 518 K C -3.256 173.278 176.600 -0.109 0.000 0.939 518 K CA -2.263 53.989 56.287 -0.058 0.000 0.812 518 K CB 2.552 35.090 32.500 0.063 0.000 1.301 518 K HN -0.163 nan 8.250 nan 0.000 0.433 519 P HA -0.024 nan 4.420 nan 0.000 0.266 519 P C 0.866 178.152 177.300 -0.024 0.000 1.215 519 P CA -0.415 62.628 63.100 -0.094 0.000 0.763 519 P CB 0.425 32.095 31.700 -0.051 0.000 0.806 520 C N 2.464 121.738 119.300 -0.044 0.000 2.468 520 C HA 0.226 4.676 4.460 -0.017 0.000 0.277 520 C C 1.088 176.054 174.990 -0.040 0.000 1.400 520 C CA -0.135 58.852 59.018 -0.052 0.000 1.770 520 C CB -1.278 26.393 27.740 -0.115 0.000 1.905 520 C HN 0.392 nan 8.230 nan 0.000 0.519 521 M N 1.438 121.030 119.600 -0.013 0.000 2.363 521 M HA 0.650 5.120 4.480 -0.017 0.000 0.343 521 M C 0.323 176.707 176.300 0.140 0.000 1.165 521 M CA 0.578 55.848 55.300 -0.050 0.000 1.046 521 M CB 1.790 34.263 32.600 -0.212 0.000 1.648 521 M HN 0.442 nan 8.290 nan 0.000 0.452 522 G N 1.531 110.374 108.800 0.072 0.000 2.649 522 G HA2 0.643 4.593 3.960 -0.017 0.000 0.290 522 G HA3 0.643 4.593 3.960 -0.017 0.000 0.290 522 G C -1.690 173.321 174.900 0.184 0.000 1.426 522 G CA -0.870 44.396 45.100 0.276 0.000 0.794 522 G HN 0.516 nan 8.290 nan 0.000 0.483 523 I N 0.518 121.235 120.570 0.246 0.000 2.587 523 I HA 0.303 4.463 4.170 -0.017 0.000 0.284 523 I C 0.031 176.190 176.117 0.069 0.000 1.134 523 I CA 0.353 61.744 61.300 0.152 0.000 1.410 523 I CB 1.100 39.180 38.000 0.133 0.000 1.392 523 I HN 0.092 nan 8.210 nan 0.000 0.545 524 V N 7.420 127.361 119.914 0.045 0.000 2.482 524 V HA 0.449 4.559 4.120 -0.017 0.000 0.295 524 V C 0.175 176.289 176.094 0.033 0.000 1.026 524 V CA -0.262 62.054 62.300 0.027 0.000 0.856 524 V CB 1.171 32.999 31.823 0.007 0.000 1.001 524 V HN 0.956 nan 8.190 nan 0.000 0.424 525 Q N 1.927 121.746 119.800 0.032 0.000 1.227 525 Q HA -0.235 4.096 4.340 -0.017 0.000 0.260 525 Q C 0.677 176.706 176.000 0.048 0.000 0.990 525 Q CA 1.179 57.009 55.803 0.045 0.000 0.927 525 Q CB -0.980 27.791 28.738 0.056 0.000 2.816 525 Q HN 0.778 nan 8.270 nan 0.000 0.412 526 D N 0.353 120.792 120.400 0.065 0.000 2.116 526 D HA -0.102 4.528 4.640 -0.017 0.000 0.193 526 D C 1.790 178.113 176.300 0.037 0.000 0.998 526 D CA 2.344 56.382 54.000 0.064 0.000 0.836 526 D CB -0.363 40.481 40.800 0.074 0.000 0.951 526 D HN 0.451 nan 8.370 nan 0.000 0.449 527 T N 0.269 114.845 114.554 0.037 0.000 2.915 527 T HA -0.103 4.237 4.350 -0.017 0.000 0.269 527 T C 1.719 176.424 174.700 0.008 0.000 1.071 527 T CA 0.455 62.571 62.100 0.026 0.000 1.132 527 T CB -0.090 68.803 68.868 0.042 0.000 0.878 527 T HN 0.032 nan 8.240 nan 0.000 0.479 528 L N 0.288 121.515 121.223 0.007 0.000 2.249 528 L HA 0.287 4.617 4.340 -0.017 0.000 0.207 528 L C 2.423 179.266 176.870 -0.044 0.000 1.090 528 L CA 0.930 55.764 54.840 -0.010 0.000 0.802 528 L CB -0.698 41.365 42.059 0.006 0.000 0.947 528 L HN 0.361 nan 8.230 nan 0.000 0.453 529 C N -0.715 118.551 119.300 -0.057 0.000 2.467 529 C HA 0.185 4.636 4.460 -0.017 0.000 0.279 529 C C 2.651 177.541 174.990 -0.167 0.000 1.347 529 C CA 0.576 59.512 59.018 -0.135 0.000 1.748 529 C CB -1.333 26.296 27.740 -0.184 0.000 1.977 529 C HN 0.626 nan 8.230 nan 0.000 0.501 530 G N 0.185 108.931 108.800 -0.091 0.000 2.426 530 G HA2 -0.052 3.898 3.960 -0.017 0.000 0.214 530 G HA3 -0.052 3.898 3.960 -0.017 0.000 0.214 530 G C 1.426 176.249 174.900 -0.127 0.000 1.156 530 G CA 0.809 45.887 45.100 -0.037 0.000 0.802 530 G HN 0.483 nan 8.290 nan 0.000 0.534 531 I N 0.892 121.393 120.570 -0.116 0.000 2.185 531 I HA -0.203 3.957 4.170 -0.017 0.000 0.246 531 I C 2.618 178.617 176.117 -0.196 0.000 1.088 531 I CA 1.697 62.904 61.300 -0.155 0.000 1.347 531 I CB -0.184 37.757 38.000 -0.098 0.000 1.041 531 I HN 0.147 nan 8.210 nan 0.000 0.415 532 R N 0.297 120.702 120.500 -0.159 0.000 2.073 532 R HA -0.188 4.142 4.340 -0.017 0.000 0.234 532 R C 2.176 178.357 176.300 -0.198 0.000 1.134 532 R CA 1.393 57.400 56.100 -0.154 0.000 0.952 532 R CB -0.172 30.056 30.300 -0.121 0.000 0.850 532 R HN 0.227 nan 8.270 nan 0.000 0.433 533 K N 0.771 121.043 120.400 -0.215 0.000 2.209 533 K HA -0.158 4.153 4.320 -0.017 0.000 0.204 533 K C 2.012 178.301 176.600 -0.518 0.000 1.048 533 K CA 0.762 56.918 56.287 -0.218 0.000 0.940 533 K CB -0.384 32.114 32.500 -0.002 0.000 0.729 533 K HN 0.220 nan 8.250 nan 0.000 0.451 534 L N 0.927 121.718 121.223 -0.719 0.000 2.072 534 L HA -0.085 4.245 4.340 -0.017 0.000 0.205 534 L C 1.686 178.235 176.870 -0.536 0.000 1.079 534 L CA 1.750 56.017 54.840 -0.956 0.000 0.752 534 L CB -0.519 41.057 42.059 -0.806 0.000 0.906 534 L HN 0.072 nan 8.230 nan 0.000 0.436 535 T N -0.165 114.176 114.554 -0.355 0.000 3.081 535 T HA 0.157 4.497 4.350 -0.017 0.000 0.255 535 T C 0.874 175.454 174.700 -0.200 0.000 1.113 535 T CA -0.344 61.611 62.100 -0.241 0.000 1.082 535 T CB -0.454 68.307 68.868 -0.179 0.000 0.939 535 T HN 0.082 nan 8.240 nan 0.000 0.506 536 L N 2.492 123.592 121.223 -0.204 0.000 2.706 536 L HA -0.020 4.310 4.340 -0.017 0.000 0.282 536 L C 1.867 178.613 176.870 -0.207 0.000 1.219 536 L CA -0.066 54.678 54.840 -0.160 0.000 0.935 536 L CB 0.352 42.330 42.059 -0.135 0.000 1.204 536 L HN 0.146 nan 8.230 nan 0.000 0.491 537 R N 1.697 122.105 120.500 -0.153 0.000 2.133 537 R HA -0.234 4.096 4.340 -0.017 0.000 0.247 537 R C 1.491 177.589 176.300 -0.338 0.000 1.151 537 R CA 1.737 57.728 56.100 -0.181 0.000 0.971 537 R CB -0.249 30.013 30.300 -0.064 0.000 0.866 537 R HN 0.735 nan 8.270 nan 0.000 0.447 538 D N 0.385 120.646 120.400 -0.231 0.000 2.218 538 D HA -0.073 4.557 4.640 -0.017 0.000 0.204 538 D C -0.114 175.974 176.300 -0.353 0.000 0.976 538 D CA 0.857 54.744 54.000 -0.189 0.000 0.853 538 D CB 0.142 40.912 40.800 -0.051 0.000 0.939 538 D HN 0.095 nan 8.370 nan 0.000 0.481 539 T N 0.922 115.228 114.554 -0.413 0.000 2.729 539 T HA 0.273 4.613 4.350 -0.017 0.000 0.296 539 T C -0.199 174.226 174.700 -0.458 0.000 0.928 539 T CA -0.121 61.810 62.100 -0.283 0.000 1.045 539 T CB 0.133 68.874 68.868 -0.212 0.000 0.902 539 T HN -0.137 nan 8.240 nan 0.000 0.500 540 F N 2.715 122.748 119.950 0.138 0.000 2.538 540 F HA 0.719 5.236 4.527 -0.017 0.000 0.325 540 F C 0.313 176.249 175.800 0.226 0.000 1.066 540 F CA -1.256 56.840 58.000 0.159 0.000 0.946 540 F CB 1.429 40.509 39.000 0.133 0.000 1.199 540 F HN 0.327 nan 8.300 nan 0.000 0.473 541 I N 0.263 121.116 120.570 0.472 0.000 3.042 541 I HA 0.534 4.694 4.170 -0.017 0.000 0.310 541 I C -1.105 175.242 176.117 0.383 0.000 1.117 541 I CA -0.951 60.575 61.300 0.376 0.000 1.003 541 I CB 2.514 40.711 38.000 0.328 0.000 1.228 541 I HN 0.656 nan 8.210 nan 0.000 0.443 542 E N 2.067 122.434 120.200 0.277 0.000 2.433 542 E HA 0.384 4.724 4.350 -0.017 0.000 0.273 542 E C 0.118 176.796 176.600 0.131 0.000 0.950 542 E CA -0.877 55.707 56.400 0.306 0.000 0.796 542 E CB 1.932 31.784 29.700 0.253 0.000 1.330 542 E HN 0.386 nan 8.360 nan 0.000 0.455 543 L N 1.778 123.099 121.223 0.163 0.000 2.252 543 L HA -0.410 3.920 4.340 -0.017 0.000 0.246 543 L C 1.900 178.752 176.870 -0.031 0.000 1.123 543 L CA 3.122 57.974 54.840 0.019 0.000 0.844 543 L CB -0.986 41.155 42.059 0.137 0.000 0.970 543 L HN 0.927 nan 8.230 nan 0.000 0.440 544 D N -1.822 118.598 120.400 0.034 0.000 2.254 544 D HA -0.281 4.349 4.640 -0.017 0.000 0.201 544 D C 1.900 178.224 176.300 0.041 0.000 0.998 544 D CA 2.083 56.105 54.000 0.037 0.000 0.885 544 D CB -0.271 40.564 40.800 0.058 0.000 0.915 544 D HN 0.689 nan 8.370 nan 0.000 0.460 545 Q N -0.316 119.505 119.800 0.035 0.000 2.442 545 Q HA 0.058 4.388 4.340 -0.017 0.000 0.228 545 Q C 2.571 178.582 176.000 0.019 0.000 0.902 545 Q CA -0.082 55.767 55.803 0.077 0.000 0.933 545 Q CB 0.705 29.485 28.738 0.071 0.000 1.071 545 Q HN 0.061 nan 8.270 nan 0.000 0.562 546 V N 1.959 121.805 119.914 -0.113 0.000 2.220 546 V HA -0.360 3.750 4.120 -0.017 0.000 0.250 546 V C 2.287 178.173 176.094 -0.347 0.000 1.056 546 V CA 2.056 64.153 62.300 -0.338 0.000 1.016 546 V CB -0.747 30.588 31.823 -0.813 0.000 0.639 546 V HN 0.348 nan 8.190 nan 0.000 0.446 547 L N 0.121 121.149 121.223 -0.324 0.000 2.013 547 L HA -0.244 4.086 4.340 -0.017 0.000 0.212 547 L C 2.463 179.179 176.870 -0.256 0.000 1.073 547 L CA 1.927 56.592 54.840 -0.291 0.000 0.753 547 L CB -0.989 40.963 42.059 -0.179 0.000 0.890 547 L HN 0.387 nan 8.230 nan 0.000 0.432 548 N N -0.054 118.561 118.700 -0.143 0.000 2.149 548 N HA -0.183 4.547 4.740 -0.017 0.000 0.188 548 N C 1.873 177.249 175.510 -0.223 0.000 1.019 548 N CA 1.571 54.539 53.050 -0.138 0.000 0.857 548 N CB -0.227 38.242 38.487 -0.030 0.000 0.997 548 N HN 0.423 nan 8.380 nan 0.000 0.426 549 M N -0.158 119.322 119.600 -0.201 0.000 2.175 549 M HA -0.063 4.407 4.480 -0.017 0.000 0.264 549 M C 1.570 177.725 176.300 -0.241 0.000 1.063 549 M CA 0.826 56.025 55.300 -0.167 0.000 1.119 549 M CB -0.160 32.392 32.600 -0.082 0.000 1.377 549 M HN 0.027 nan 8.290 nan 0.000 0.415 550 L N -0.735 120.201 121.223 -0.478 0.000 2.046 550 L HA -0.210 4.120 4.340 -0.017 0.000 0.208 550 L C 2.426 178.822 176.870 -0.791 0.000 1.077 550 L CA 1.920 56.171 54.840 -0.981 0.000 0.747 550 L CB -1.689 39.403 42.059 -1.611 0.000 0.896 550 L HN 0.310 nan 8.230 nan 0.000 0.432 551 Y N -1.700 118.226 120.300 -0.623 0.000 2.571 551 Y HA -0.198 4.342 4.550 -0.017 0.000 0.294 551 Y C 2.110 177.810 175.900 -0.332 0.000 1.141 551 Y CA 0.256 58.121 58.100 -0.391 0.000 1.308 551 Y CB -0.357 37.894 38.460 -0.348 0.000 1.002 551 Y HN 0.068 nan 8.280 nan 0.000 0.551 552 W N -0.520 120.544 121.300 -0.395 0.000 2.441 552 W HA 0.063 4.713 4.660 -0.017 0.000 0.302 552 W C 0.601 176.972 176.519 -0.247 0.000 1.191 552 W CA 0.988 58.101 57.345 -0.387 0.000 1.327 552 W CB -0.319 28.904 29.460 -0.395 0.000 1.128 552 W HN -0.435 nan 8.180 nan 0.000 0.522 553 V N 4.159 124.116 119.914 0.071 0.000 2.479 553 V HA -0.059 4.051 4.120 -0.017 0.000 0.281 553 V C -0.874 175.268 176.094 0.080 0.000 1.031 553 V CA -0.640 61.708 62.300 0.080 0.000 1.038 553 V CB 0.658 32.526 31.823 0.074 0.000 0.981 553 V HN -0.018 nan 8.190 nan 0.000 0.478 554 P HA -0.066 nan 4.420 nan 0.000 0.221 554 P C 0.468 177.828 177.300 0.100 0.000 1.150 554 P CA 0.893 64.019 63.100 0.043 0.000 0.800 554 P CB 0.364 32.077 31.700 0.022 0.000 0.787 555 D N -1.853 118.618 120.400 0.118 0.000 2.325 555 D HA 0.014 4.644 4.640 -0.017 0.000 0.225 555 D C 0.152 176.551 176.300 0.165 0.000 1.096 555 D CA -0.269 53.796 54.000 0.108 0.000 0.844 555 D CB -0.826 40.017 40.800 0.072 0.000 0.925 555 D HN 0.154 nan 8.370 nan 0.000 0.513 556 W N 3.336 124.644 121.300 0.014 0.000 2.347 556 W HA -0.004 4.646 4.660 -0.017 0.000 0.333 556 W C 0.888 177.418 176.519 0.019 0.000 1.383 556 W CA -0.651 56.707 57.345 0.021 0.000 1.283 556 W CB 0.519 30.002 29.460 0.037 0.000 1.253 556 W HN 0.005 nan 8.180 nan 0.000 0.563 557 D N 3.808 123.935 120.400 -0.454 0.000 2.323 557 D HA 0.051 4.681 4.640 -0.017 0.000 0.239 557 D C 1.455 177.290 176.300 -0.775 0.000 1.129 557 D CA 0.420 54.145 54.000 -0.459 0.000 0.865 557 D CB -0.633 40.001 40.800 -0.276 0.000 0.913 557 D HN 0.726 nan 8.370 nan 0.000 0.517 558 G N -0.317 107.575 108.800 -1.513 0.000 2.249 558 G HA2 -0.230 3.720 3.960 -0.017 0.000 0.273 558 G HA3 -0.230 3.720 3.960 -0.017 0.000 0.273 558 G C -0.054 174.156 174.900 -1.149 0.000 1.036 558 G CA 0.348 44.512 45.100 -1.561 0.000 0.824 558 G HN 0.411 nan 8.290 nan 0.000 0.504 559 V N 2.727 121.941 119.914 -1.167 0.000 2.357 559 V HA 0.338 4.448 4.120 -0.017 0.000 0.281 559 V C 0.723 176.950 176.094 0.222 0.000 1.015 559 V CA -1.261 60.860 62.300 -0.298 0.000 0.827 559 V CB 1.290 32.999 31.823 -0.189 0.000 1.018 559 V HN 0.329 nan 8.190 nan 0.000 0.432 560 I N 7.164 127.987 120.570 0.422 0.000 2.668 560 I HA 0.174 4.334 4.170 -0.017 0.000 0.285 560 I C -1.517 174.818 176.117 0.364 0.000 1.168 560 I CA -1.016 60.570 61.300 0.478 0.000 1.424 560 I CB 0.167 38.392 38.000 0.374 0.000 1.377 560 I HN 0.385 nan 8.210 nan 0.000 0.560 561 P HA 0.215 nan 4.420 nan 0.000 0.278 561 P C -0.534 177.017 177.300 0.418 0.000 1.258 561 P CA -0.418 62.888 63.100 0.343 0.000 0.811 561 P CB 0.574 32.469 31.700 0.325 0.000 1.063 562 T N 3.032 117.717 114.554 0.218 0.000 2.737 562 T HA 0.245 4.585 4.350 -0.017 0.000 0.296 562 T C -2.091 172.532 174.700 -0.128 0.000 0.922 562 T CA -1.001 61.144 62.100 0.074 0.000 1.079 562 T CB -0.372 68.509 68.868 0.023 0.000 0.892 562 T HN 0.359 nan 8.240 nan 0.000 0.514 563 P HA 0.074 nan 4.420 nan 0.000 0.260 563 P C 0.670 177.648 177.300 -0.535 0.000 1.185 563 P CA -0.078 62.280 63.100 -1.237 0.000 0.763 563 P CB 0.438 30.994 31.700 -1.906 0.000 0.776 564 A N 4.545 127.172 122.820 -0.321 0.000 2.139 564 A HA -0.112 4.198 4.320 -0.017 0.000 0.221 564 A C 1.092 178.590 177.584 -0.143 0.000 1.159 564 A CA 1.156 53.118 52.037 -0.125 0.000 0.662 564 A CB -0.700 18.306 19.000 0.010 0.000 0.796 564 A HN 0.595 nan 8.150 nan 0.000 0.463 565 I N -1.086 119.336 120.570 -0.247 0.000 2.533 565 I HA 0.359 4.519 4.170 -0.017 0.000 0.290 565 I C -0.345 175.616 176.117 -0.261 0.000 1.056 565 I CA -0.412 60.753 61.300 -0.224 0.000 1.057 565 I CB 2.218 40.064 38.000 -0.258 0.000 1.240 565 I HN 0.093 nan 8.210 nan 0.000 0.423 566 I N 5.415 125.876 120.570 -0.182 0.000 3.817 566 I HA 0.121 4.281 4.170 -0.017 0.000 0.322 566 I C 0.674 176.729 176.117 -0.104 0.000 1.512 566 I CA -0.477 60.732 61.300 -0.153 0.000 1.066 566 I CB -0.139 37.785 38.000 -0.127 0.000 1.336 566 I HN 0.481 nan 8.210 nan 0.000 0.539 567 K N 1.545 121.880 120.400 -0.107 0.000 2.284 567 K HA 0.318 4.628 4.320 -0.017 0.000 0.243 567 K C -1.527 175.032 176.600 -0.069 0.000 1.075 567 K CA -0.806 55.433 56.287 -0.080 0.000 0.868 567 K CB -0.489 31.959 32.500 -0.086 0.000 1.157 567 K HN -0.305 nan 8.250 nan 0.000 0.512 568 P HA -0.257 nan 4.420 nan 0.000 0.227 568 P C -0.515 176.764 177.300 -0.034 0.000 1.154 568 P CA 1.914 64.991 63.100 -0.037 0.000 0.879 568 P CB 0.062 31.742 31.700 -0.033 0.000 0.779 569 K N -1.691 118.678 120.400 -0.052 0.000 2.601 569 K HA 0.346 4.656 4.320 -0.017 0.000 0.249 569 K C -2.981 173.578 176.600 -0.068 0.000 0.966 569 K CA -2.388 53.876 56.287 -0.038 0.000 0.827 569 K CB 1.684 34.171 32.500 -0.022 0.000 1.178 569 K HN -0.271 nan 8.250 nan 0.000 0.437 570 P HA 0.054 nan 4.420 nan 0.000 0.264 570 P C -1.172 176.081 177.300 -0.078 0.000 1.229 570 P CA -0.234 62.788 63.100 -0.130 0.000 0.780 570 P CB 0.388 32.028 31.700 -0.100 0.000 0.808 571 L N 3.806 124.927 121.223 -0.171 0.000 2.313 571 L HA 0.577 4.907 4.340 -0.017 0.000 0.268 571 L C -0.044 176.801 176.870 -0.042 0.000 1.010 571 L CA -0.485 54.367 54.840 0.019 0.000 0.814 571 L CB 0.907 42.875 42.059 -0.152 0.000 1.304 571 L HN 0.372 nan 8.230 nan 0.000 0.441 572 W N -0.071 121.317 121.300 0.146 0.000 2.655 572 W HA 0.551 5.202 4.660 -0.016 0.000 0.358 572 W C 0.053 176.776 176.519 0.339 0.000 1.100 572 W CA -0.664 56.790 57.345 0.181 0.000 1.195 572 W CB 2.118 31.655 29.460 0.129 0.000 1.403 572 W HN 0.509 nan 8.180 nan 0.000 0.589 573 S N -0.178 115.802 115.700 0.468 0.000 2.616 573 S HA 0.406 4.866 4.470 -0.017 0.000 0.277 573 S C 0.973 175.640 174.600 0.111 0.000 1.234 573 S CA 0.119 58.490 58.200 0.285 0.000 1.028 573 S CB 1.612 64.911 63.200 0.166 0.000 0.988 573 S HN 0.634 nan 8.310 nan 0.000 0.522 574 G N 2.293 111.036 108.800 -0.094 0.000 2.476 574 G HA2 -0.217 3.733 3.960 -0.017 0.000 0.218 574 G HA3 -0.217 3.733 3.960 -0.017 0.000 0.218 574 G C 1.287 176.095 174.900 -0.153 0.000 1.164 574 G CA 0.933 45.915 45.100 -0.196 0.000 0.768 574 G HN 0.833 nan 8.290 nan 0.000 0.560 575 K N -0.060 120.266 120.400 -0.123 0.000 2.015 575 K HA -0.185 4.125 4.320 -0.017 0.000 0.216 575 K C 2.517 179.108 176.600 -0.015 0.000 1.052 575 K CA 1.385 57.626 56.287 -0.076 0.000 0.937 575 K CB -0.468 32.003 32.500 -0.048 0.000 0.719 575 K HN 0.220 nan 8.250 nan 0.000 0.446 576 Q N 0.663 120.496 119.800 0.055 0.000 1.880 576 Q HA -0.246 4.084 4.340 -0.017 0.000 0.243 576 Q C 2.252 178.317 176.000 0.107 0.000 1.047 576 Q CA 2.583 58.464 55.803 0.131 0.000 0.893 576 Q CB -0.656 28.242 28.738 0.267 0.000 0.999 576 Q HN 0.475 nan 8.270 nan 0.000 0.419 577 I N -0.595 120.041 120.570 0.110 0.000 2.700 577 I HA -0.180 3.980 4.170 -0.017 0.000 0.261 577 I C 2.209 178.322 176.117 -0.006 0.000 1.219 577 I CA 0.881 62.205 61.300 0.041 0.000 1.463 577 I CB -0.833 37.146 38.000 -0.036 0.000 1.092 577 I HN 0.115 nan 8.210 nan 0.000 0.452 578 L N 0.964 122.170 121.223 -0.028 0.000 2.046 578 L HA -0.126 4.204 4.340 -0.017 0.000 0.208 578 L C 2.499 179.353 176.870 -0.026 0.000 1.077 578 L CA 1.735 56.545 54.840 -0.051 0.000 0.747 578 L CB -0.864 41.142 42.059 -0.088 0.000 0.896 578 L HN 0.261 nan 8.230 nan 0.000 0.432 579 S N -0.889 114.807 115.700 -0.007 0.000 2.441 579 S HA -0.191 4.269 4.470 -0.017 0.000 0.242 579 S C 1.940 176.554 174.600 0.022 0.000 1.018 579 S CA 1.332 59.533 58.200 0.001 0.000 0.988 579 S CB -0.705 62.508 63.200 0.021 0.000 0.778 579 S HN 0.402 nan 8.310 nan 0.000 0.498 580 V N 1.442 121.384 119.914 0.046 0.000 2.594 580 V HA -0.182 3.928 4.120 -0.017 0.000 0.253 580 V C 2.486 178.622 176.094 0.069 0.000 1.069 580 V CA 1.617 63.971 62.300 0.089 0.000 1.082 580 V CB -1.168 30.707 31.823 0.087 0.000 0.680 580 V HN 0.590 nan 8.190 nan 0.000 0.469 581 A N -0.093 122.741 122.820 0.024 0.000 1.984 581 A HA 0.171 4.481 4.320 -0.017 0.000 0.214 581 A C 1.217 178.793 177.584 -0.014 0.000 1.173 581 A CA 0.228 52.272 52.037 0.011 0.000 0.673 581 A CB -0.164 18.833 19.000 -0.006 0.000 0.830 581 A HN 0.417 nan 8.150 nan 0.000 0.453 582 I N 2.580 123.133 120.570 -0.030 0.000 2.576 582 I HA 0.114 4.274 4.170 -0.017 0.000 0.288 582 I C -2.408 173.676 176.117 -0.054 0.000 1.126 582 I CA -1.966 59.298 61.300 -0.059 0.000 1.362 582 I CB -0.873 37.084 38.000 -0.071 0.000 1.419 582 I HN 0.099 nan 8.210 nan 0.000 0.533 583 P HA 0.024 nan 4.420 nan 0.000 0.269 583 P C -0.377 176.873 177.300 -0.083 0.000 1.209 583 P CA -0.257 62.808 63.100 -0.057 0.000 0.776 583 P CB 0.518 32.182 31.700 -0.060 0.000 0.876 584 N N 1.530 120.192 118.700 -0.065 0.000 2.406 584 N HA 0.259 4.989 4.740 -0.017 0.000 0.265 584 N C 1.323 176.774 175.510 -0.099 0.000 1.203 584 N CA 0.860 53.864 53.050 -0.078 0.000 0.945 584 N CB -0.221 38.237 38.487 -0.048 0.000 1.165 584 N HN 0.764 nan 8.380 nan 0.000 0.485 585 G N 1.581 110.277 108.800 -0.174 0.000 2.276 585 G HA2 -0.118 3.832 3.960 -0.017 0.000 0.177 585 G HA3 -0.118 3.832 3.960 -0.017 0.000 0.177 585 G C -0.379 174.284 174.900 -0.395 0.000 1.017 585 G CA -0.545 44.450 45.100 -0.176 0.000 0.750 585 G HN 0.398 nan 8.290 nan 0.000 0.506 586 I N 2.078 122.294 120.570 -0.590 0.000 2.493 586 I HA 0.584 4.744 4.170 -0.017 0.000 0.298 586 I C -0.404 175.242 176.117 -0.785 0.000 0.998 586 I CA -0.817 60.162 61.300 -0.534 0.000 1.137 586 I CB 1.510 39.358 38.000 -0.253 0.000 1.310 586 I HN 0.084 nan 8.210 nan 0.000 0.445 587 H N 5.760 124.799 119.070 -0.052 0.000 2.759 587 H HA 0.588 5.135 4.556 -0.016 0.000 0.354 587 H C -1.395 173.886 175.328 -0.077 0.000 1.074 587 H CA -0.691 55.321 56.048 -0.060 0.000 1.226 587 H CB 3.115 32.853 29.762 -0.039 0.000 1.648 587 H HN 0.333 nan 8.280 nan 0.000 0.529 588 L N 2.184 123.408 121.223 0.001 0.000 2.464 588 L HA 0.328 4.658 4.340 -0.017 0.000 0.266 588 L C -0.991 175.797 176.870 -0.137 0.000 0.965 588 L CA -0.207 54.586 54.840 -0.078 0.000 0.833 588 L CB 2.437 44.425 42.059 -0.117 0.000 1.296 588 L HN 0.656 nan 8.230 nan 0.000 0.405 589 Q N 3.846 123.553 119.800 -0.155 0.000 2.337 589 Q HA 0.536 4.866 4.340 -0.017 0.000 0.270 589 Q C -0.458 175.378 176.000 -0.273 0.000 1.043 589 Q CA -0.414 55.235 55.803 -0.257 0.000 0.794 589 Q CB 2.244 30.875 28.738 -0.178 0.000 1.281 589 Q HN 0.764 nan 8.270 nan 0.000 0.446 590 R N 2.628 122.875 120.500 -0.422 0.000 2.580 590 R HA 0.350 4.680 4.340 -0.017 0.000 0.161 590 R C -0.809 175.402 176.300 -0.148 0.000 1.659 590 R CA 0.205 56.154 56.100 -0.251 0.000 1.325 590 R CB 0.610 30.799 30.300 -0.186 0.000 1.254 590 R HN 0.752 nan 8.270 nan 0.000 0.474 591 F N 2.377 122.352 119.950 0.042 0.000 2.111 591 F HA -0.229 4.289 4.527 -0.016 0.000 0.433 591 F C -0.190 175.634 175.800 0.041 0.000 1.193 591 F CA 0.084 58.126 58.000 0.070 0.000 1.413 591 F CB -0.496 38.544 39.000 0.066 0.000 2.218 591 F HN 0.330 nan 8.300 nan 0.000 0.736 592 D N 2.516 123.048 120.400 0.221 0.000 2.511 592 D HA 0.164 4.794 4.640 -0.017 0.000 0.276 592 D C 1.311 177.683 176.300 0.120 0.000 1.220 592 D CA -0.317 53.761 54.000 0.131 0.000 1.077 592 D CB 0.529 41.382 40.800 0.089 0.000 1.126 592 D HN 0.611 nan 8.370 nan 0.000 0.583 593 E N -0.295 119.949 120.200 0.073 0.000 2.077 593 E HA -0.059 4.281 4.350 -0.017 0.000 0.193 593 E C 0.789 177.418 176.600 0.048 0.000 0.989 593 E CA 0.698 57.127 56.400 0.049 0.000 0.800 593 E CB 0.015 29.733 29.700 0.031 0.000 0.746 593 E HN 0.345 nan 8.360 nan 0.000 0.452 594 G N 0.952 109.787 108.800 0.059 0.000 3.628 594 G HA2 0.257 4.207 3.960 -0.017 0.000 0.328 594 G HA3 0.257 4.207 3.960 -0.017 0.000 0.328 594 G C -0.829 174.123 174.900 0.087 0.000 1.200 594 G CA -0.295 44.837 45.100 0.054 0.000 1.364 594 G HN -0.115 nan 8.290 nan 0.000 0.503 595 T N 0.772 115.391 114.554 0.108 0.000 3.050 595 T HA 0.330 4.670 4.350 -0.017 0.000 0.310 595 T C 0.743 175.527 174.700 0.139 0.000 0.978 595 T CA -0.482 61.736 62.100 0.196 0.000 1.013 595 T CB 1.568 70.666 68.868 0.384 0.000 1.000 595 T HN 0.181 nan 8.240 nan 0.000 0.447 596 T N 2.174 116.768 114.554 0.067 0.000 3.054 596 T HA 0.218 4.558 4.350 -0.017 0.000 0.255 596 T C 1.231 175.919 174.700 -0.021 0.000 1.035 596 T CA -0.336 61.757 62.100 -0.012 0.000 0.941 596 T CB -0.161 68.682 68.868 -0.042 0.000 1.026 596 T HN 0.507 nan 8.240 nan 0.000 0.533 597 L N -1.009 120.234 121.223 0.033 0.000 5.188 597 L HA -0.231 4.099 4.340 -0.017 0.000 0.431 597 L C 1.331 177.978 176.870 -0.371 0.000 1.017 597 L CA 0.947 55.734 54.840 -0.088 0.000 1.195 597 L CB -1.546 40.566 42.059 0.088 0.000 1.860 597 L HN 0.320 nan 8.230 nan 0.000 0.691 598 L N -1.632 119.419 121.223 -0.287 0.000 2.253 598 L HA 0.159 4.489 4.340 -0.017 0.000 0.205 598 L C 1.228 177.886 176.870 -0.352 0.000 1.078 598 L CA 0.802 55.478 54.840 -0.273 0.000 0.805 598 L CB 0.158 42.139 42.059 -0.131 0.000 0.963 598 L HN 0.336 nan 8.230 nan 0.000 0.459 599 S N 0.255 115.788 115.700 -0.278 0.000 3.436 599 S HA -0.091 4.369 4.470 -0.017 0.000 0.393 599 S C -1.460 173.112 174.600 -0.047 0.000 0.914 599 S CA 0.080 58.215 58.200 -0.107 0.000 1.317 599 S CB -0.498 62.686 63.200 -0.027 0.000 0.920 599 S HN 0.292 nan 8.310 nan 0.000 0.564 600 P HA -0.134 nan 4.420 nan 0.000 0.216 600 P C 0.580 177.885 177.300 0.009 0.000 1.150 600 P CA 1.303 64.395 63.100 -0.013 0.000 0.843 600 P CB 0.076 31.770 31.700 -0.008 0.000 0.787 601 K N -0.491 119.924 120.400 0.024 0.000 2.493 601 K HA 0.087 4.397 4.320 -0.017 0.000 0.207 601 K C -0.114 176.516 176.600 0.050 0.000 1.033 601 K CA -0.204 56.103 56.287 0.033 0.000 1.161 601 K CB -0.356 32.164 32.500 0.034 0.000 0.873 601 K HN -0.119 nan 8.250 nan 0.000 0.491 602 D N 1.696 122.135 120.400 0.066 0.000 2.701 602 D HA -0.165 4.465 4.640 -0.017 0.000 0.235 602 D C -0.704 175.680 176.300 0.140 0.000 1.155 602 D CA 0.633 54.702 54.000 0.115 0.000 0.649 602 D CB -0.816 40.025 40.800 0.069 0.000 1.050 602 D HN 0.251 nan 8.370 nan 0.000 0.425 603 N N -0.099 118.701 118.700 0.167 0.000 2.413 603 N HA 0.639 5.369 4.740 -0.017 0.000 0.266 603 N C 1.310 176.945 175.510 0.209 0.000 1.238 603 N CA 0.480 53.621 53.050 0.151 0.000 0.972 603 N CB 0.353 38.919 38.487 0.131 0.000 1.210 603 N HN 0.405 nan 8.380 nan 0.000 0.547 604 G N -0.278 108.586 108.800 0.107 0.000 2.569 604 G HA2 -0.140 3.810 3.960 -0.017 0.000 0.259 604 G HA3 -0.140 3.810 3.960 -0.017 0.000 0.259 604 G C -0.603 174.191 174.900 -0.177 0.000 1.263 604 G CA 0.485 45.596 45.100 0.018 0.000 0.928 604 G HN 0.675 nan 8.290 nan 0.000 0.572 605 M N -1.239 118.118 119.600 -0.406 0.000 2.480 605 M HA 0.573 5.043 4.480 -0.017 0.000 0.186 605 M C -1.611 174.319 176.300 -0.616 0.000 0.948 605 M CA -0.480 54.517 55.300 -0.506 0.000 0.857 605 M CB 1.274 33.705 32.600 -0.282 0.000 2.723 605 M HN 1.309 nan 8.290 nan 0.000 0.410 606 L N 5.971 126.671 121.223 -0.871 0.000 2.294 606 L HA 0.765 5.095 4.340 -0.017 0.000 0.283 606 L C -1.603 175.072 176.870 -0.324 0.000 1.015 606 L CA -0.053 54.452 54.840 -0.559 0.000 0.831 606 L CB 0.818 42.567 42.059 -0.517 0.000 1.217 606 L HN 0.753 nan 8.230 nan 0.000 0.420 607 I N 5.783 126.232 120.570 -0.202 0.000 2.441 607 I HA 0.438 4.598 4.170 -0.017 0.000 0.295 607 I C -0.758 175.337 176.117 -0.037 0.000 0.994 607 I CA -0.642 60.585 61.300 -0.121 0.000 1.144 607 I CB 1.838 39.760 38.000 -0.130 0.000 1.314 607 I HN 0.406 nan 8.210 nan 0.000 0.445 608 I N 5.174 125.742 120.570 -0.005 0.000 2.410 608 I HA 0.187 4.347 4.170 -0.017 0.000 0.286 608 I C -0.073 176.060 176.117 0.027 0.000 1.009 608 I CA -0.220 61.136 61.300 0.093 0.000 1.111 608 I CB 1.040 39.079 38.000 0.065 0.000 1.262 608 I HN 0.657 nan 8.210 nan 0.000 0.443 609 D N 5.565 125.936 120.400 -0.048 0.000 2.697 609 D HA -0.187 4.443 4.640 -0.017 0.000 0.235 609 D C 1.210 177.422 176.300 -0.146 0.000 1.167 609 D CA 1.520 55.417 54.000 -0.170 0.000 0.656 609 D CB -0.715 40.119 40.800 0.057 0.000 1.025 609 D HN 1.150 nan 8.370 nan 0.000 0.419 610 G N -0.259 108.431 108.800 -0.183 0.000 2.198 610 G HA2 -0.306 3.644 3.960 -0.017 0.000 0.260 610 G HA3 -0.306 3.644 3.960 -0.017 0.000 0.260 610 G C -0.014 174.851 174.900 -0.058 0.000 1.025 610 G CA 0.692 45.724 45.100 -0.114 0.000 0.769 610 G HN 0.563 nan 8.290 nan 0.000 0.507 611 Q N -0.902 118.868 119.800 -0.049 0.000 2.359 611 Q HA 0.554 4.884 4.340 -0.017 0.000 0.274 611 Q C -0.544 175.439 176.000 -0.028 0.000 1.074 611 Q CA -0.794 54.999 55.803 -0.018 0.000 0.810 611 Q CB 2.659 31.401 28.738 0.006 0.000 1.342 611 Q HN 0.460 nan 8.270 nan 0.000 0.427 612 I N 3.684 124.241 120.570 -0.021 0.000 2.321 612 I HA 0.135 4.295 4.170 -0.017 0.000 0.291 612 I C 0.376 176.490 176.117 -0.005 0.000 0.998 612 I CA -0.425 60.850 61.300 -0.042 0.000 1.227 612 I CB 0.512 38.475 38.000 -0.062 0.000 1.368 612 I HN 0.597 nan 8.210 nan 0.000 0.466 613 I N 7.919 128.483 120.570 -0.010 0.000 2.260 613 I HA 0.110 4.270 4.170 -0.017 0.000 0.237 613 I C 0.405 176.629 176.117 0.179 0.000 1.075 613 I CA 1.287 62.641 61.300 0.089 0.000 1.376 613 I CB -0.975 37.106 38.000 0.136 0.000 1.107 613 I HN 0.609 nan 8.210 nan 0.000 0.420 614 F N -0.513 119.422 119.950 -0.026 0.000 2.719 614 F HA 0.700 5.217 4.527 -0.016 0.000 0.309 614 F C -0.484 175.290 175.800 -0.043 0.000 1.138 614 F CA -0.458 57.526 58.000 -0.027 0.000 0.943 614 F CB 1.034 40.028 39.000 -0.010 0.000 1.304 614 F HN 0.300 nan 8.300 nan 0.000 0.445 615 G N 0.527 109.359 108.800 0.054 0.000 2.354 615 G HA2 0.425 4.375 3.960 -0.017 0.000 0.582 615 G HA3 0.425 4.375 3.960 -0.017 0.000 0.582 615 G C -2.628 172.248 174.900 -0.039 0.000 1.316 615 G CA -0.407 44.662 45.100 -0.052 0.000 0.995 615 G HN 1.349 nan 8.290 nan 0.000 0.573 616 V N 0.249 120.131 119.914 -0.053 0.000 2.483 616 V HA 0.523 4.633 4.120 -0.017 0.000 0.297 616 V C 0.528 176.570 176.094 -0.086 0.000 1.027 616 V CA -0.749 61.508 62.300 -0.071 0.000 0.855 616 V CB 1.608 33.398 31.823 -0.055 0.000 0.995 616 V HN 0.991 nan 8.190 nan 0.000 0.424 617 V N 5.670 125.522 119.914 -0.103 0.000 2.446 617 V HA 0.413 4.523 4.120 -0.017 0.000 0.276 617 V C 0.209 176.254 176.094 -0.081 0.000 1.030 617 V CA 0.111 62.352 62.300 -0.098 0.000 1.033 617 V CB 0.155 31.914 31.823 -0.107 0.000 0.993 617 V HN 1.111 nan 8.190 nan 0.000 0.477 618 E N 3.163 123.324 120.200 -0.064 0.000 2.421 618 E HA 0.368 4.708 4.350 -0.017 0.000 0.265 618 E C 0.582 177.163 176.600 -0.033 0.000 0.990 618 E CA -0.994 55.377 56.400 -0.047 0.000 0.874 618 E CB 0.466 30.141 29.700 -0.042 0.000 1.646 618 E HN 0.046 nan 8.360 nan 0.000 0.451 619 K N -0.023 120.365 120.400 -0.020 0.000 2.293 619 K HA -0.175 4.135 4.320 -0.017 0.000 0.204 619 K C 1.160 177.754 176.600 -0.009 0.000 1.045 619 K CA 1.502 57.785 56.287 -0.008 0.000 0.933 619 K CB -0.098 32.400 32.500 -0.003 0.000 0.736 619 K HN 0.381 nan 8.250 nan 0.000 0.463 620 K N -1.027 119.362 120.400 -0.019 0.000 2.228 620 K HA -0.036 4.275 4.320 -0.017 0.000 0.202 620 K C 1.691 178.272 176.600 -0.032 0.000 1.051 620 K CA 1.320 57.593 56.287 -0.023 0.000 0.960 620 K CB 0.266 32.750 32.500 -0.026 0.000 0.743 620 K HN 0.128 nan 8.250 nan 0.000 0.458 621 T N -0.297 114.232 114.554 -0.042 0.000 3.156 621 T HA -0.007 4.333 4.350 -0.017 0.000 0.236 621 T C 1.509 176.179 174.700 -0.050 0.000 0.978 621 T CA 0.139 62.204 62.100 -0.059 0.000 1.240 621 T CB -0.004 68.813 68.868 -0.085 0.000 0.951 621 T HN -0.101 nan 8.240 nan 0.000 0.420 622 V N 1.769 121.656 119.914 -0.044 0.000 3.573 622 V HA 0.373 4.483 4.120 -0.017 0.000 0.270 622 V C 0.941 177.045 176.094 0.016 0.000 1.221 622 V CA 0.392 62.673 62.300 -0.032 0.000 1.163 622 V CB -0.802 31.001 31.823 -0.034 0.000 0.847 622 V HN 0.476 nan 8.190 nan 0.000 0.468 623 G N -1.058 107.751 108.800 0.015 0.000 2.461 623 G HA2 0.348 4.298 3.960 -0.017 0.000 0.329 623 G HA3 0.348 4.298 3.960 -0.017 0.000 0.329 623 G C 0.441 175.370 174.900 0.049 0.000 1.170 623 G CA -0.074 45.049 45.100 0.038 0.000 0.935 623 G HN 0.215 nan 8.290 nan 0.000 0.492 624 S N 0.265 116.000 115.700 0.059 0.000 3.077 624 S HA 0.041 4.501 4.470 -0.017 0.000 0.244 624 S C 1.532 176.154 174.600 0.037 0.000 1.013 624 S CA 0.305 58.539 58.200 0.057 0.000 1.121 624 S CB -0.853 62.372 63.200 0.043 0.000 0.847 624 S HN 0.827 nan 8.310 nan 0.000 0.514 625 S N 1.093 116.814 115.700 0.034 0.000 2.652 625 S HA 0.293 4.753 4.470 -0.017 0.000 0.267 625 S C 1.139 175.776 174.600 0.060 0.000 1.201 625 S CA -0.737 57.480 58.200 0.028 0.000 0.996 625 S CB 0.473 63.679 63.200 0.009 0.000 1.054 625 S HN 0.266 nan 8.310 nan 0.000 0.561 626 N N 0.646 119.378 118.700 0.053 0.000 2.132 626 N HA 0.008 4.738 4.740 -0.017 0.000 0.187 626 N C 1.585 177.159 175.510 0.107 0.000 1.038 626 N CA 1.358 54.475 53.050 0.111 0.000 0.846 626 N CB -0.878 37.625 38.487 0.026 0.000 1.012 626 N HN 0.829 nan 8.380 nan 0.000 0.429 627 G N 0.089 108.894 108.800 0.008 0.000 3.262 627 G HA2 0.242 4.192 3.960 -0.017 0.000 0.228 627 G HA3 0.242 4.192 3.960 -0.017 0.000 0.228 627 G C 0.515 175.395 174.900 -0.033 0.000 1.197 627 G CA -0.038 45.035 45.100 -0.044 0.000 0.819 627 G HN 0.345 nan 8.290 nan 0.000 0.531 628 G N -0.558 108.249 108.800 0.011 0.000 2.572 628 G HA2 0.322 4.273 3.960 -0.017 0.000 0.261 628 G HA3 0.322 4.273 3.960 -0.017 0.000 0.261 628 G C 1.011 175.905 174.900 -0.010 0.000 1.197 628 G CA -0.610 44.487 45.100 -0.004 0.000 0.870 628 G HN 0.209 nan 8.290 nan 0.000 0.548 629 L N 0.928 122.121 121.223 -0.051 0.000 2.043 629 L HA -0.165 4.165 4.340 -0.017 0.000 0.212 629 L C 2.571 179.391 176.870 -0.083 0.000 1.075 629 L CA 1.480 56.272 54.840 -0.081 0.000 0.752 629 L CB -0.206 41.785 42.059 -0.113 0.000 0.891 629 L HN 0.551 nan 8.230 nan 0.000 0.432 630 I N -0.889 119.625 120.570 -0.093 0.000 2.226 630 I HA -0.298 3.862 4.170 -0.017 0.000 0.245 630 I C 2.541 178.649 176.117 -0.016 0.000 1.100 630 I CA 1.388 62.601 61.300 -0.145 0.000 1.374 630 I CB -1.111 36.800 38.000 -0.147 0.000 1.057 630 I HN 0.347 nan 8.210 nan 0.000 0.413 631 H N 1.123 120.159 119.070 -0.056 0.000 2.319 631 H HA -0.124 4.422 4.556 -0.016 0.000 0.299 631 H C 2.250 177.554 175.328 -0.039 0.000 1.092 631 H CA 2.079 58.111 56.048 -0.028 0.000 1.302 631 H CB -0.281 29.473 29.762 -0.013 0.000 1.373 631 H HN 0.145 nan 8.280 nan 0.000 0.497 632 V N 0.264 120.234 119.914 0.094 0.000 2.255 632 V HA -0.220 3.890 4.120 -0.017 0.000 0.247 632 V C 2.881 178.976 176.094 0.001 0.000 1.051 632 V CA 1.736 64.036 62.300 0.001 0.000 1.018 632 V CB -0.854 30.941 31.823 -0.048 0.000 0.641 632 V HN 0.261 nan 8.190 nan 0.000 0.445 633 V N 0.186 120.079 119.914 -0.035 0.000 3.141 633 V HA -0.131 3.979 4.120 -0.017 0.000 0.265 633 V C 2.234 178.303 176.094 -0.042 0.000 1.126 633 V CA 1.926 64.189 62.300 -0.061 0.000 1.141 633 V CB -1.062 30.693 31.823 -0.112 0.000 0.743 633 V HN 0.654 nan 8.190 nan 0.000 0.492 634 T N -0.946 113.602 114.554 -0.010 0.000 3.035 634 T HA 0.039 4.379 4.350 -0.017 0.000 0.259 634 T C 1.992 176.700 174.700 0.012 0.000 1.078 634 T CA 0.339 62.438 62.100 -0.001 0.000 1.132 634 T CB -0.024 68.847 68.868 0.004 0.000 0.900 634 T HN 0.249 nan 8.240 nan 0.000 0.480 635 R N 1.221 121.746 120.500 0.041 0.000 2.246 635 R HA 0.240 4.570 4.340 -0.017 0.000 0.199 635 R C 0.600 176.897 176.300 -0.006 0.000 0.984 635 R CA 0.329 56.439 56.100 0.017 0.000 1.015 635 R CB 0.156 30.491 30.300 0.057 0.000 0.930 635 R HN 0.443 nan 8.270 nan 0.000 0.475 636 E N 2.201 122.401 120.200 0.001 0.000 2.070 636 E HA 0.075 4.415 4.350 -0.017 0.000 0.261 636 E C -0.634 175.963 176.600 -0.004 0.000 0.926 636 E CA -0.454 55.949 56.400 0.006 0.000 0.760 636 E CB 0.599 30.306 29.700 0.011 0.000 1.133 636 E HN -0.176 nan 8.360 nan 0.000 0.420 637 K N 2.013 122.413 120.400 -0.001 0.000 2.403 637 K HA -0.212 4.098 4.320 -0.017 0.000 0.244 637 K C 0.088 176.680 176.600 -0.012 0.000 1.095 637 K CA 0.884 57.169 56.287 -0.005 0.000 1.146 637 K CB -0.464 32.040 32.500 0.006 0.000 0.784 637 K HN 0.753 nan 8.250 nan 0.000 0.504 638 G N 3.199 111.989 108.800 -0.016 0.000 3.000 638 G HA2 0.391 4.341 3.960 -0.017 0.000 0.170 638 G HA3 0.391 4.341 3.960 -0.017 0.000 0.170 638 G C -2.359 172.533 174.900 -0.014 0.000 1.160 638 G CA -0.588 44.503 45.100 -0.015 0.000 0.945 638 G HN 0.253 nan 8.290 nan 0.000 0.593 639 P HA 0.104 nan 4.420 nan 0.000 0.214 639 P C 1.600 178.904 177.300 0.006 0.000 1.167 639 P CA 1.296 64.395 63.100 -0.002 0.000 0.882 639 P CB 0.176 31.874 31.700 -0.004 0.000 0.777 640 Q N -0.343 119.460 119.800 0.004 0.000 2.170 640 Q HA -0.096 4.234 4.340 -0.017 0.000 0.203 640 Q C 2.124 178.132 176.000 0.012 0.000 0.976 640 Q CA 1.168 56.978 55.803 0.011 0.000 0.858 640 Q CB -0.844 27.897 28.738 0.005 0.000 0.907 640 Q HN 0.013 nan 8.270 nan 0.000 0.433 641 V N 0.224 120.138 119.914 -0.001 0.000 2.233 641 V HA -0.372 3.738 4.120 -0.017 0.000 0.247 641 V C 2.349 178.429 176.094 -0.022 0.000 1.050 641 V CA 1.815 64.109 62.300 -0.010 0.000 1.010 641 V CB -0.700 31.111 31.823 -0.020 0.000 0.637 641 V HN 0.603 nan 8.190 nan 0.000 0.444 642 C N 0.081 119.360 119.300 -0.035 0.000 2.413 642 C HA -0.157 4.293 4.460 -0.017 0.000 0.276 642 C C 3.070 178.040 174.990 -0.034 0.000 1.248 642 C CA 0.941 59.909 59.018 -0.083 0.000 1.742 642 C CB -1.317 26.378 27.740 -0.074 0.000 2.017 642 C HN 0.619 nan 8.230 nan 0.000 0.481 643 A N -0.220 122.642 122.820 0.069 0.000 1.877 643 A HA -0.214 4.096 4.320 -0.017 0.000 0.216 643 A C 2.282 179.961 177.584 0.159 0.000 1.186 643 A CA 2.046 54.189 52.037 0.175 0.000 0.620 643 A CB -0.755 18.308 19.000 0.106 0.000 0.822 643 A HN 0.733 nan 8.150 nan 0.000 0.443 644 K N -0.643 119.805 120.400 0.081 0.000 2.026 644 K HA -0.172 4.138 4.320 -0.017 0.000 0.208 644 K C 1.983 178.627 176.600 0.074 0.000 1.048 644 K CA 1.518 57.848 56.287 0.072 0.000 0.929 644 K CB -0.409 32.116 32.500 0.042 0.000 0.713 644 K HN 0.415 nan 8.250 nan 0.000 0.439 645 L N 0.786 122.023 121.223 0.022 0.000 1.991 645 L HA -0.259 4.071 4.340 -0.017 0.000 0.221 645 L C 1.862 178.742 176.870 0.016 0.000 1.079 645 L CA 1.996 56.818 54.840 -0.030 0.000 0.778 645 L CB -0.893 41.084 42.059 -0.137 0.000 0.893 645 L HN 0.200 nan 8.230 nan 0.000 0.437 646 F N 0.414 120.366 119.950 0.004 0.000 2.032 646 F HA -0.317 4.201 4.527 -0.016 0.000 0.297 646 F C 2.494 178.304 175.800 0.016 0.000 1.125 646 F CA 1.920 59.925 58.000 0.007 0.000 1.202 646 F CB -1.178 37.828 39.000 0.011 0.000 0.958 646 F HN 0.330 nan 8.300 nan 0.000 0.491 647 G N -0.660 108.295 108.800 0.258 0.000 2.475 647 G HA2 -0.307 3.643 3.960 -0.017 0.000 0.220 647 G HA3 -0.307 3.643 3.960 -0.017 0.000 0.220 647 G C 1.401 176.375 174.900 0.122 0.000 1.125 647 G CA 1.324 46.518 45.100 0.157 0.000 0.755 647 G HN 0.281 nan 8.290 nan 0.000 0.565 648 N N 0.714 119.476 118.700 0.104 0.000 2.080 648 N HA -0.027 4.703 4.740 -0.017 0.000 0.189 648 N C 2.270 177.811 175.510 0.051 0.000 1.036 648 N CA 0.802 53.899 53.050 0.079 0.000 0.846 648 N CB -0.390 38.133 38.487 0.059 0.000 1.015 648 N HN 0.350 nan 8.380 nan 0.000 0.423 649 I N 1.578 122.175 120.570 0.044 0.000 2.087 649 I HA -0.392 3.768 4.170 -0.017 0.000 0.240 649 I C 2.281 178.407 176.117 0.015 0.000 1.054 649 I CA 1.475 62.787 61.300 0.019 0.000 1.311 649 I CB -0.596 37.419 38.000 0.025 0.000 1.024 649 I HN 0.227 nan 8.210 nan 0.000 0.402 650 Q N 1.034 120.863 119.800 0.047 0.000 1.943 650 Q HA -0.309 4.021 4.340 -0.017 0.000 0.213 650 Q C 2.184 178.156 176.000 -0.047 0.000 1.017 650 Q CA 2.321 58.138 55.803 0.023 0.000 0.874 650 Q CB -0.325 28.445 28.738 0.053 0.000 0.960 650 Q HN 0.412 nan 8.270 nan 0.000 0.417 651 K N -0.309 120.062 120.400 -0.048 0.000 2.184 651 K HA -0.248 4.062 4.320 -0.017 0.000 0.210 651 K C 1.954 178.294 176.600 -0.435 0.000 1.048 651 K CA 2.000 58.164 56.287 -0.205 0.000 0.931 651 K CB -0.324 32.236 32.500 0.099 0.000 0.718 651 K HN 0.145 nan 8.250 nan 0.000 0.465 652 V N -0.369 119.430 119.914 -0.193 0.000 2.599 652 V HA -0.101 4.009 4.120 -0.017 0.000 0.245 652 V C 2.118 178.183 176.094 -0.048 0.000 1.046 652 V CA 0.899 63.107 62.300 -0.154 0.000 1.065 652 V CB -0.066 31.718 31.823 -0.065 0.000 0.703 652 V HN 0.027 nan 8.190 nan 0.000 0.464 653 V N 1.029 120.921 119.914 -0.036 0.000 2.379 653 V HA -0.170 3.940 4.120 -0.017 0.000 0.245 653 V C 2.451 178.579 176.094 0.056 0.000 1.044 653 V CA 1.884 64.199 62.300 0.025 0.000 1.036 653 V CB -0.873 30.948 31.823 -0.004 0.000 0.664 653 V HN 0.515 nan 8.190 nan 0.000 0.453 654 N N 0.327 119.007 118.700 -0.032 0.000 2.036 654 N HA -0.236 4.494 4.740 -0.017 0.000 0.195 654 N C 1.728 177.190 175.510 -0.081 0.000 1.037 654 N CA 1.958 54.971 53.050 -0.062 0.000 0.855 654 N CB -0.680 37.731 38.487 -0.125 0.000 1.033 654 N HN 0.503 nan 8.380 nan 0.000 0.423 655 F N -0.177 119.544 119.950 -0.381 0.000 2.216 655 F HA -0.138 4.379 4.527 -0.017 0.000 0.300 655 F C 2.258 177.971 175.800 -0.145 0.000 1.085 655 F CA 1.084 58.852 58.000 -0.386 0.000 1.326 655 F CB -0.248 38.246 39.000 -0.844 0.000 1.027 655 F HN 0.134 nan 8.300 nan 0.000 0.497 656 W N 0.262 121.461 121.300 -0.168 0.000 2.407 656 W HA -0.118 4.532 4.660 -0.017 0.000 0.305 656 W C 2.208 178.650 176.519 -0.130 0.000 1.196 656 W CA 1.650 58.898 57.345 -0.162 0.000 1.311 656 W CB -0.607 28.803 29.460 -0.083 0.000 1.135 656 W HN 0.101 nan 8.180 nan 0.000 0.514 657 L N 0.765 122.078 121.223 0.150 0.000 2.012 657 L HA -0.196 4.134 4.340 -0.017 0.000 0.210 657 L C 2.447 179.234 176.870 -0.139 0.000 1.073 657 L CA 2.187 57.045 54.840 0.030 0.000 0.748 657 L CB -1.493 40.636 42.059 0.116 0.000 0.891 657 L HN 0.170 nan 8.230 nan 0.000 0.431 658 L N -0.292 120.862 121.223 -0.115 0.000 2.011 658 L HA -0.362 3.968 4.340 -0.017 0.000 0.225 658 L C 2.489 179.231 176.870 -0.214 0.000 1.084 658 L CA 2.363 57.125 54.840 -0.129 0.000 0.791 658 L CB -0.967 41.040 42.059 -0.086 0.000 0.898 658 L HN 0.499 nan 8.230 nan 0.000 0.440 659 H N -2.352 116.435 119.070 -0.471 0.000 2.544 659 H HA 0.020 4.566 4.556 -0.017 0.000 0.269 659 H C 1.545 176.596 175.328 -0.461 0.000 0.970 659 H CA 0.902 56.678 56.048 -0.454 0.000 1.219 659 H CB 0.257 29.695 29.762 -0.540 0.000 1.421 659 H HN 0.550 nan 8.280 nan 0.000 0.555 660 N N -0.047 118.354 118.700 -0.499 0.000 2.454 660 N HA 0.080 4.810 4.740 -0.017 0.000 0.177 660 N C 0.579 175.928 175.510 -0.268 0.000 1.049 660 N CA 0.709 53.430 53.050 -0.548 0.000 0.887 660 N CB 1.000 38.746 38.487 -1.235 0.000 1.095 660 N HN 0.311 nan 8.380 nan 0.000 0.446 661 G N -0.215 108.476 108.800 -0.181 0.000 2.860 661 G HA2 -0.134 3.816 3.960 -0.017 0.000 0.553 661 G HA3 -0.134 3.816 3.960 -0.017 0.000 0.553 661 G C -0.878 174.112 174.900 0.150 0.000 1.439 661 G CA -0.064 45.021 45.100 -0.025 0.000 0.879 661 G HN 0.471 nan 8.290 nan 0.000 0.545 662 F N 0.225 120.153 119.950 -0.037 0.000 2.728 662 F HA 0.563 5.080 4.527 -0.017 0.000 0.315 662 F C 0.102 175.898 175.800 -0.006 0.000 1.096 662 F CA 0.556 58.553 58.000 -0.005 0.000 0.997 662 F CB 0.786 39.800 39.000 0.023 0.000 1.252 662 F HN 1.825 nan 8.300 nan 0.000 0.458 663 S N 2.013 117.238 115.700 -0.790 0.000 3.121 663 S HA 0.968 5.428 4.470 -0.017 0.000 0.324 663 S C -1.195 172.940 174.600 -0.775 0.000 1.192 663 S CA -0.480 57.348 58.200 -0.620 0.000 0.937 663 S CB 2.301 65.333 63.200 -0.280 0.000 1.336 663 S HN 0.804 nan 8.310 nan 0.000 0.664 664 T N 0.197 114.520 114.554 -0.386 0.000 3.295 664 T HA 0.698 5.038 4.350 -0.017 0.000 0.331 664 T C -0.187 174.427 174.700 -0.143 0.000 1.142 664 T CA -0.359 61.586 62.100 -0.259 0.000 1.078 664 T CB 1.268 70.021 68.868 -0.192 0.000 1.150 664 T HN 1.086 nan 8.240 nan 0.000 0.465 665 G N 0.670 109.408 108.800 -0.103 0.000 2.820 665 G HA2 0.618 4.569 3.960 -0.017 0.000 0.291 665 G HA3 0.618 4.569 3.960 -0.017 0.000 0.291 665 G C 0.793 175.667 174.900 -0.043 0.000 1.323 665 G CA -1.079 43.981 45.100 -0.066 0.000 1.055 665 G HN 0.625 nan 8.290 nan 0.000 0.520 666 I N 0.323 120.874 120.570 -0.031 0.000 2.315 666 I HA 0.058 4.218 4.170 -0.017 0.000 0.248 666 I C 2.844 178.952 176.117 -0.015 0.000 1.117 666 I CA 1.336 62.624 61.300 -0.019 0.000 1.404 666 I CB -0.917 37.075 38.000 -0.013 0.000 1.071 666 I HN 0.504 nan 8.210 nan 0.000 0.419 667 G N 0.761 109.551 108.800 -0.017 0.000 2.517 667 G HA2 -0.246 3.704 3.960 -0.017 0.000 0.222 667 G HA3 -0.246 3.704 3.960 -0.017 0.000 0.222 667 G C 1.281 176.176 174.900 -0.008 0.000 1.109 667 G CA 1.192 46.285 45.100 -0.011 0.000 0.746 667 G HN 0.415 nan 8.290 nan 0.000 0.576 668 D N -0.219 120.173 120.400 -0.013 0.000 2.347 668 D HA -0.032 4.598 4.640 -0.017 0.000 0.213 668 D C 2.481 178.779 176.300 -0.003 0.000 0.985 668 D CA 1.437 55.433 54.000 -0.006 0.000 0.879 668 D CB 0.092 40.883 40.800 -0.015 0.000 0.919 668 D HN 0.526 nan 8.370 nan 0.000 0.526 669 T N -1.898 112.653 114.554 -0.006 0.000 3.001 669 T HA 0.144 4.484 4.350 -0.017 0.000 0.251 669 T C 1.128 175.826 174.700 -0.003 0.000 1.040 669 T CA -0.389 61.709 62.100 -0.003 0.000 0.985 669 T CB 0.603 69.471 68.868 0.001 0.000 1.011 669 T HN -0.123 nan 8.240 nan 0.000 0.509 670 I N 3.016 123.584 120.570 -0.003 0.000 2.683 670 I HA 0.408 4.568 4.170 -0.017 0.000 0.286 670 I C 0.764 176.879 176.117 -0.004 0.000 1.175 670 I CA -0.410 60.889 61.300 -0.003 0.000 1.429 670 I CB -0.396 37.603 38.000 -0.002 0.000 1.371 670 I HN 0.293 nan 8.210 nan 0.000 0.569 671 A N 5.003 127.820 122.820 -0.006 0.000 2.325 671 A HA 0.350 4.660 4.320 -0.017 0.000 0.333 671 A C -0.161 177.422 177.584 -0.002 0.000 1.155 671 A CA -0.714 51.319 52.037 -0.006 0.000 0.814 671 A CB 0.719 19.712 19.000 -0.012 0.000 1.206 671 A HN 0.762 nan 8.150 nan 0.000 0.482 672 D N 1.390 121.790 120.400 0.000 0.000 2.506 672 D HA 0.288 4.918 4.640 -0.017 0.000 0.234 672 D C 1.558 177.859 176.300 0.003 0.000 1.143 672 D CA 1.373 55.374 54.000 0.003 0.000 0.871 672 D CB 0.786 41.589 40.800 0.005 0.000 1.190 672 D HN 0.548 nan 8.370 nan 0.000 0.459 673 G N 3.367 112.170 108.800 0.004 0.000 2.838 673 G HA2 -0.205 3.745 3.960 -0.017 0.000 0.215 673 G HA3 -0.205 3.745 3.960 -0.017 0.000 0.215 673 G C -1.148 173.755 174.900 0.005 0.000 1.327 673 G CA 0.374 45.477 45.100 0.004 0.000 0.802 673 G HN 0.608 nan 8.290 nan 0.000 0.658 674 P HA 0.215 nan 4.420 nan 0.000 0.262 674 P C 0.090 177.394 177.300 0.008 0.000 1.647 674 P CA 0.934 64.039 63.100 0.008 0.000 0.865 674 P CB -0.155 31.550 31.700 0.009 0.000 1.834 675 T N -2.756 111.802 114.554 0.006 0.000 3.154 675 T HA 0.039 4.380 4.350 -0.017 0.000 0.258 675 T C 1.236 175.938 174.700 0.003 0.000 0.899 675 T CA -0.091 62.012 62.100 0.005 0.000 0.908 675 T CB -0.389 68.482 68.868 0.004 0.000 1.260 675 T HN 0.232 nan 8.240 nan 0.000 0.521 676 M N 1.035 120.636 119.600 0.001 0.000 2.659 676 M HA 0.365 4.835 4.480 -0.017 0.000 0.243 676 M C 1.936 178.239 176.300 0.005 0.000 1.111 676 M CA 0.727 56.027 55.300 0.000 0.000 1.070 676 M CB -0.210 32.388 32.600 -0.005 0.000 1.525 676 M HN -0.000 nan 8.290 nan 0.000 0.517 677 R N 1.438 121.943 120.500 0.008 0.000 2.090 677 R HA 0.034 4.364 4.340 -0.017 0.000 0.219 677 R C 1.463 177.772 176.300 0.015 0.000 1.100 677 R CA 1.041 57.148 56.100 0.012 0.000 0.991 677 R CB 0.049 30.355 30.300 0.012 0.000 0.893 677 R HN 0.487 nan 8.270 nan 0.000 0.443 678 E N 0.066 120.274 120.200 0.014 0.000 2.516 678 E HA -0.069 4.271 4.350 -0.017 0.000 0.199 678 E C 1.415 178.025 176.600 0.018 0.000 1.069 678 E CA 0.447 56.857 56.400 0.016 0.000 0.876 678 E CB 0.259 29.967 29.700 0.013 0.000 0.843 678 E HN 0.455 nan 8.360 nan 0.000 0.530 679 I N -0.622 119.958 120.570 0.017 0.000 3.172 679 I HA -0.109 4.051 4.170 -0.017 0.000 0.278 679 I C 2.250 178.387 176.117 0.034 0.000 1.174 679 I CA 0.539 61.852 61.300 0.022 0.000 1.445 679 I CB 0.324 38.330 38.000 0.011 0.000 1.175 679 I HN -0.060 nan 8.210 nan 0.000 0.447 680 T N 1.040 115.612 114.554 0.029 0.000 2.833 680 T HA -0.166 4.174 4.350 -0.017 0.000 0.269 680 T C 1.661 176.390 174.700 0.047 0.000 1.054 680 T CA 1.608 63.731 62.100 0.038 0.000 1.135 680 T CB -0.173 68.711 68.868 0.027 0.000 0.869 680 T HN 0.537 nan 8.240 nan 0.000 0.466 681 E N -0.054 120.169 120.200 0.038 0.000 2.230 681 E HA -0.041 4.299 4.350 -0.017 0.000 0.192 681 E C 1.847 178.471 176.600 0.040 0.000 0.987 681 E CA 0.903 57.327 56.400 0.039 0.000 0.841 681 E CB -0.448 29.270 29.700 0.030 0.000 0.783 681 E HN 0.250 nan 8.360 nan 0.000 0.481 682 T N 1.450 116.026 114.554 0.037 0.000 2.915 682 T HA -0.021 4.319 4.350 -0.017 0.000 0.269 682 T C 1.774 176.502 174.700 0.046 0.000 1.071 682 T CA 0.712 62.832 62.100 0.032 0.000 1.132 682 T CB 0.008 68.893 68.868 0.028 0.000 0.878 682 T HN 0.171 nan 8.240 nan 0.000 0.479 683 I N 1.456 122.072 120.570 0.077 0.000 2.333 683 I HA 0.033 4.193 4.170 -0.017 0.000 0.246 683 I C 2.905 179.080 176.117 0.096 0.000 1.106 683 I CA 0.807 62.178 61.300 0.118 0.000 1.411 683 I CB -1.581 36.534 38.000 0.192 0.000 1.082 683 I HN 0.155 nan 8.210 nan 0.000 0.420 684 A N 1.357 124.226 122.820 0.080 0.000 2.076 684 A HA -0.214 4.096 4.320 -0.017 0.000 0.220 684 A C 2.184 179.807 177.584 0.065 0.000 1.160 684 A CA 1.910 53.991 52.037 0.072 0.000 0.653 684 A CB -0.594 18.442 19.000 0.059 0.000 0.801 684 A HN 0.708 nan 8.150 nan 0.000 0.455 685 E N -0.910 119.323 120.200 0.056 0.000 2.099 685 E HA 0.262 4.602 4.350 -0.017 0.000 0.191 685 E C 1.994 178.638 176.600 0.073 0.000 0.962 685 E CA 0.597 57.031 56.400 0.056 0.000 0.826 685 E CB -0.530 29.193 29.700 0.039 0.000 0.788 685 E HN 0.306 nan 8.360 nan 0.000 0.461 686 A N 1.734 124.582 122.820 0.048 0.000 2.024 686 A HA -0.162 4.148 4.320 -0.017 0.000 0.220 686 A C 2.134 179.784 177.584 0.110 0.000 1.164 686 A CA 1.428 53.495 52.037 0.050 0.000 0.643 686 A CB -0.380 18.598 19.000 -0.038 0.000 0.806 686 A HN 0.095 nan 8.150 nan 0.000 0.451 687 K N -0.121 120.324 120.400 0.076 0.000 2.007 687 K HA -0.045 4.265 4.320 -0.017 0.000 0.206 687 K C 1.694 178.349 176.600 0.090 0.000 1.047 687 K CA 1.265 57.596 56.287 0.074 0.000 0.937 687 K CB -0.258 32.299 32.500 0.096 0.000 0.718 687 K HN 0.397 nan 8.250 nan 0.000 0.438 688 K N 1.036 121.491 120.400 0.091 0.000 2.515 688 K HA -0.078 4.232 4.320 -0.017 0.000 0.196 688 K C 1.396 178.054 176.600 0.097 0.000 1.038 688 K CA 0.807 57.144 56.287 0.083 0.000 0.967 688 K CB 0.134 32.676 32.500 0.071 0.000 0.780 688 K HN 0.104 nan 8.250 nan 0.000 0.483 689 K N -0.133 120.357 120.400 0.149 0.000 2.358 689 K HA 0.086 4.396 4.320 -0.017 0.000 0.200 689 K C 1.373 178.060 176.600 0.146 0.000 1.030 689 K CA -0.052 56.365 56.287 0.216 0.000 1.097 689 K CB 0.879 33.586 32.500 0.344 0.000 0.862 689 K HN -0.120 nan 8.250 nan 0.000 0.534 690 V N 1.042 121.003 119.914 0.079 0.000 2.599 690 V HA -0.130 3.980 4.120 -0.017 0.000 0.245 690 V C 1.816 177.914 176.094 0.007 0.000 1.046 690 V CA 0.936 63.192 62.300 -0.073 0.000 1.065 690 V CB -0.033 31.771 31.823 -0.031 0.000 0.703 690 V HN 0.227 nan 8.190 nan 0.000 0.464 691 L N 0.344 121.593 121.223 0.044 0.000 2.191 691 L HA -0.147 4.183 4.340 -0.017 0.000 0.212 691 L C 1.863 178.750 176.870 0.029 0.000 1.103 691 L CA 1.890 56.759 54.840 0.048 0.000 0.769 691 L CB -0.762 41.329 42.059 0.054 0.000 0.908 691 L HN 0.289 nan 8.230 nan 0.000 0.438 692 D N -0.919 119.495 120.400 0.023 0.000 2.077 692 D HA -0.132 4.498 4.640 -0.017 0.000 0.193 692 D C 2.138 178.429 176.300 -0.014 0.000 0.989 692 D CA 1.822 55.828 54.000 0.010 0.000 0.831 692 D CB -0.138 40.678 40.800 0.027 0.000 0.979 692 D HN 0.203 nan 8.370 nan 0.000 0.449 693 V N 0.488 120.380 119.914 -0.037 0.000 3.078 693 V HA -0.115 3.995 4.120 -0.017 0.000 0.265 693 V C 2.115 178.233 176.094 0.040 0.000 1.122 693 V CA 1.445 63.736 62.300 -0.016 0.000 1.141 693 V CB -0.688 31.067 31.823 -0.113 0.000 0.735 693 V HN 0.175 nan 8.190 nan 0.000 0.498 694 T N 0.866 115.445 114.554 0.041 0.000 2.937 694 T HA -0.108 4.232 4.350 -0.017 0.000 0.260 694 T C 1.812 176.412 174.700 -0.167 0.000 1.051 694 T CA 1.374 63.422 62.100 -0.087 0.000 1.141 694 T CB -0.150 68.758 68.868 0.067 0.000 0.879 694 T HN 0.734 nan 8.240 nan 0.000 0.459 695 K N 1.542 121.893 120.400 -0.082 0.000 2.432 695 K HA 0.062 4.372 4.320 -0.017 0.000 0.196 695 K C 2.025 178.569 176.600 -0.092 0.000 1.038 695 K CA 0.773 57.016 56.287 -0.074 0.000 0.986 695 K CB 0.086 32.566 32.500 -0.032 0.000 0.782 695 K HN 0.277 nan 8.250 nan 0.000 0.485 696 E N 1.756 121.890 120.200 -0.110 0.000 2.001 696 E HA -0.157 4.184 4.350 -0.017 0.000 0.193 696 E C 1.896 178.404 176.600 -0.153 0.000 0.994 696 E CA 1.290 57.627 56.400 -0.106 0.000 0.815 696 E CB -0.230 29.422 29.700 -0.080 0.000 0.770 696 E HN 0.387 nan 8.360 nan 0.000 0.453 697 A N 0.790 123.455 122.820 -0.259 0.000 2.125 697 A HA -0.161 4.150 4.320 -0.017 0.000 0.219 697 A C 1.952 179.387 177.584 -0.247 0.000 1.156 697 A CA 1.175 53.033 52.037 -0.297 0.000 0.671 697 A CB -0.376 18.314 19.000 -0.516 0.000 0.794 697 A HN 0.379 nan 8.150 nan 0.000 0.459 698 Q N -1.244 118.424 119.800 -0.219 0.000 2.403 698 Q HA 0.200 4.530 4.340 -0.017 0.000 0.203 698 Q C 2.022 177.966 176.000 -0.094 0.000 0.932 698 Q CA 0.461 56.177 55.803 -0.144 0.000 0.945 698 Q CB -0.025 28.642 28.738 -0.119 0.000 1.045 698 Q HN 0.710 nan 8.270 nan 0.000 0.511 699 A N 1.512 124.278 122.820 -0.091 0.000 1.935 699 A HA -0.156 4.154 4.320 -0.017 0.000 0.214 699 A C 1.672 179.228 177.584 -0.048 0.000 1.178 699 A CA 1.446 53.447 52.037 -0.060 0.000 0.640 699 A CB -0.325 18.644 19.000 -0.053 0.000 0.825 699 A HN 0.550 nan 8.150 nan 0.000 0.447 700 N N 0.215 118.883 118.700 -0.052 0.000 2.336 700 N HA 0.064 4.794 4.740 -0.017 0.000 0.177 700 N C 0.778 176.250 175.510 -0.064 0.000 1.018 700 N CA 0.476 53.483 53.050 -0.072 0.000 0.878 700 N CB -0.822 37.622 38.487 -0.072 0.000 0.997 700 N HN 0.482 nan 8.380 nan 0.000 0.433 701 L N -1.190 120.007 121.223 -0.044 0.000 2.530 701 L HA 0.390 4.720 4.340 -0.017 0.000 0.273 701 L C 0.219 177.070 176.870 -0.032 0.000 1.141 701 L CA -0.348 54.472 54.840 -0.034 0.000 0.905 701 L CB 0.587 42.632 42.059 -0.023 0.000 1.202 701 L HN 0.369 nan 8.230 nan 0.000 0.473 702 L N 1.990 123.194 121.223 -0.031 0.000 1.374 702 L HA -0.123 4.207 4.340 -0.017 0.000 0.096 702 L C 0.623 177.483 176.870 -0.017 0.000 1.675 702 L CA 1.486 56.305 54.840 -0.035 0.000 1.129 702 L CB -0.817 41.222 42.059 -0.034 0.000 1.859 702 L HN 0.831 nan 8.230 nan 0.000 0.414 703 T N 1.013 115.562 114.554 -0.008 0.000 3.433 703 T HA -0.032 4.308 4.350 -0.017 0.000 0.412 703 T C 0.256 174.962 174.700 0.010 0.000 0.768 703 T CA 0.973 63.075 62.100 0.003 0.000 2.077 703 T CB -1.814 67.058 68.868 0.007 0.000 1.700 703 T HN 1.186 nan 8.240 nan 0.000 0.666 704 A N 2.133 124.957 122.820 0.007 0.000 2.376 704 A HA 0.462 4.772 4.320 -0.017 0.000 0.298 704 A C 0.705 178.306 177.584 0.028 0.000 1.271 704 A CA -0.433 51.610 52.037 0.011 0.000 0.926 704 A CB 0.302 19.299 19.000 -0.004 0.000 1.141 704 A HN 0.596 nan 8.150 nan 0.000 0.539 705 K N 0.814 121.236 120.400 0.038 0.000 2.440 705 K HA -0.046 4.265 4.320 -0.017 0.000 0.270 705 K C 1.060 177.704 176.600 0.073 0.000 0.980 705 K CA 0.245 56.569 56.287 0.062 0.000 0.953 705 K CB 0.307 32.844 32.500 0.061 0.000 0.925 705 K HN 0.872 nan 8.250 nan 0.000 0.497 706 H N 0.543 119.614 119.070 0.003 0.000 2.460 706 H HA -0.075 4.471 4.556 -0.017 0.000 0.297 706 H C 0.317 175.648 175.328 0.004 0.000 1.103 706 H CA 1.843 57.890 56.048 -0.002 0.000 1.292 706 H CB 0.233 29.988 29.762 -0.011 0.000 1.376 706 H HN 0.692 nan 8.280 nan 0.000 0.531 707 G N -1.536 107.215 108.800 -0.083 0.000 3.100 707 G HA2 0.243 4.193 3.960 -0.017 0.000 0.233 707 G HA3 0.243 4.193 3.960 -0.017 0.000 0.233 707 G C -0.048 174.830 174.900 -0.037 0.000 3.794 707 G CA -0.120 44.909 45.100 -0.118 0.000 0.453 707 G HN 0.244 nan 8.290 nan 0.000 0.329 708 M N -0.325 119.268 119.600 -0.011 0.000 2.826 708 M HA -0.205 4.265 4.480 -0.017 0.000 0.156 708 M C 1.229 177.521 176.300 -0.013 0.000 0.684 708 M CA 2.252 57.551 55.300 -0.001 0.000 0.593 708 M CB -2.263 30.352 32.600 0.025 0.000 2.167 708 M HN 1.143 nan 8.290 nan 0.000 0.277 709 T N -0.427 114.099 114.554 -0.046 0.000 2.744 709 T HA 0.662 5.002 4.350 -0.017 0.000 0.291 709 T C -0.033 174.647 174.700 -0.033 0.000 0.957 709 T CA -0.250 61.823 62.100 -0.046 0.000 1.002 709 T CB 1.720 70.537 68.868 -0.085 0.000 0.919 709 T HN 1.180 nan 8.240 nan 0.000 0.468 710 L N 1.436 122.650 121.223 -0.015 0.000 2.887 710 L HA 0.054 4.384 4.340 -0.017 0.000 0.557 710 L C -0.503 176.362 176.870 -0.008 0.000 1.015 710 L CA -0.357 54.479 54.840 -0.007 0.000 1.185 710 L CB -0.283 41.771 42.059 -0.009 0.000 2.064 710 L HN 0.916 nan 8.230 nan 0.000 1.054 711 R N 3.850 124.350 120.500 -0.001 0.000 2.421 711 R HA 0.381 4.711 4.340 -0.017 0.000 0.305 711 R C 0.724 177.031 176.300 0.013 0.000 1.039 711 R CA 1.281 57.387 56.100 0.010 0.000 1.003 711 R CB 0.566 30.876 30.300 0.016 0.000 0.959 711 R HN 0.807 nan 8.270 nan 0.000 0.427 712 E N 1.305 121.514 120.200 0.014 0.000 2.502 712 E HA 0.075 4.415 4.350 -0.017 0.000 0.206 712 E C 0.094 176.697 176.600 0.005 0.000 0.821 712 E CA 0.478 56.883 56.400 0.008 0.000 1.354 712 E CB 0.833 30.532 29.700 -0.001 0.000 1.336 712 E HN 0.626 nan 8.360 nan 0.000 0.675 713 S N -1.107 114.598 115.700 0.009 0.000 6.696 713 S HA -0.042 4.418 4.470 -0.017 0.000 0.086 713 S C 0.003 174.640 174.600 0.061 0.000 1.356 713 S CA -0.015 58.206 58.200 0.035 0.000 1.184 713 S CB -1.117 62.115 63.200 0.053 0.000 1.706 713 S HN 0.186 nan 8.310 nan 0.000 0.570 714 F N 2.506 122.408 119.950 -0.081 0.000 2.698 714 F HA 0.553 5.070 4.527 -0.016 0.000 0.295 714 F C 1.733 177.478 175.800 -0.091 0.000 1.124 714 F CA 0.873 58.812 58.000 -0.103 0.000 1.426 714 F CB 0.169 39.089 39.000 -0.135 0.000 1.120 714 F HN 0.249 nan 8.300 nan 0.000 0.583 715 E N 0.676 120.779 120.200 -0.162 0.000 2.427 715 E HA -0.149 4.191 4.350 -0.017 0.000 0.196 715 E C 1.118 177.608 176.600 -0.183 0.000 1.028 715 E CA 0.936 57.209 56.400 -0.212 0.000 0.864 715 E CB -0.137 29.547 29.700 -0.026 0.000 0.813 715 E HN 0.620 nan 8.360 nan 0.000 0.514 716 D N 0.227 120.543 120.400 -0.139 0.000 2.262 716 D HA -0.076 4.554 4.640 -0.017 0.000 0.212 716 D C 1.682 177.909 176.300 -0.122 0.000 0.964 716 D CA 0.491 54.433 54.000 -0.097 0.000 0.875 716 D CB -0.080 40.693 40.800 -0.044 0.000 0.996 716 D HN -0.038 nan 8.370 nan 0.000 0.497 717 N N 0.107 118.701 118.700 -0.177 0.000 2.104 717 N HA -0.141 4.590 4.740 -0.017 0.000 0.190 717 N C 1.654 177.037 175.510 -0.212 0.000 1.024 717 N CA 1.491 54.438 53.050 -0.172 0.000 0.853 717 N CB 0.160 38.524 38.487 -0.205 0.000 1.008 717 N HN 0.114 nan 8.380 nan 0.000 0.424 718 V N 0.701 120.380 119.914 -0.391 0.000 2.591 718 V HA -0.094 4.016 4.120 -0.017 0.000 0.249 718 V C 2.529 178.548 176.094 -0.125 0.000 1.053 718 V CA 0.634 62.748 62.300 -0.309 0.000 1.068 718 V CB -0.195 31.341 31.823 -0.477 0.000 0.689 718 V HN 0.077 nan 8.190 nan 0.000 0.462 719 V N 0.579 120.415 119.914 -0.131 0.000 2.287 719 V HA -0.311 3.800 4.120 -0.017 0.000 0.248 719 V C 2.663 178.744 176.094 -0.021 0.000 1.053 719 V CA 2.364 64.621 62.300 -0.072 0.000 1.027 719 V CB -0.732 31.052 31.823 -0.064 0.000 0.646 719 V HN 0.507 nan 8.190 nan 0.000 0.447 720 R N -1.341 119.166 120.500 0.012 0.000 2.073 720 R HA -0.073 4.257 4.340 -0.017 0.000 0.229 720 R C 2.243 178.564 176.300 0.035 0.000 1.120 720 R CA 1.458 57.574 56.100 0.027 0.000 0.967 720 R CB -0.512 29.812 30.300 0.040 0.000 0.862 720 R HN 0.422 nan 8.270 nan 0.000 0.436 721 F N 0.915 120.798 119.950 -0.111 0.000 2.287 721 F HA -0.190 4.327 4.527 -0.017 0.000 0.301 721 F C 1.728 177.435 175.800 -0.155 0.000 1.069 721 F CA 1.246 59.175 58.000 -0.118 0.000 1.372 721 F CB 0.220 39.139 39.000 -0.134 0.000 1.056 721 F HN -0.012 nan 8.300 nan 0.000 0.523 722 L N -1.837 119.349 121.223 -0.062 0.000 2.577 722 L HA 0.030 4.360 4.340 -0.017 0.000 0.225 722 L C 1.666 178.485 176.870 -0.084 0.000 1.053 722 L CA 0.043 54.757 54.840 -0.210 0.000 0.866 722 L CB -0.504 41.248 42.059 -0.512 0.000 1.132 722 L HN -0.166 nan 8.230 nan 0.000 0.486 723 N N 0.719 119.401 118.700 -0.031 0.000 2.503 723 N HA -0.193 4.537 4.740 -0.017 0.000 0.189 723 N C 1.433 176.950 175.510 0.013 0.000 1.048 723 N CA 1.134 54.196 53.050 0.020 0.000 0.905 723 N CB 0.094 38.594 38.487 0.021 0.000 0.951 723 N HN 0.456 nan 8.380 nan 0.000 0.446 724 E N -0.719 119.459 120.200 -0.037 0.000 2.372 724 E HA 0.195 4.535 4.350 -0.017 0.000 0.201 724 E C 1.492 178.065 176.600 -0.045 0.000 0.938 724 E CA -0.007 56.359 56.400 -0.056 0.000 0.944 724 E CB 0.273 29.888 29.700 -0.140 0.000 0.937 724 E HN 0.241 nan 8.360 nan 0.000 0.495 725 A N 1.472 124.256 122.820 -0.059 0.000 2.067 725 A HA -0.141 4.169 4.320 -0.017 0.000 0.219 725 A C 2.028 179.654 177.584 0.070 0.000 1.158 725 A CA 1.074 53.102 52.037 -0.016 0.000 0.661 725 A CB -0.253 18.715 19.000 -0.053 0.000 0.801 725 A HN 0.038 nan 8.150 nan 0.000 0.452 726 R N -0.202 120.357 120.500 0.098 0.000 2.052 726 R HA -0.073 4.257 4.340 -0.017 0.000 0.224 726 R C 0.913 177.298 176.300 0.143 0.000 1.149 726 R CA 1.541 57.722 56.100 0.136 0.000 0.962 726 R CB -0.284 30.114 30.300 0.163 0.000 0.856 726 R HN 0.343 nan 8.270 nan 0.000 0.433 727 D N 0.231 120.739 120.400 0.179 0.000 2.371 727 D HA -0.095 4.535 4.640 -0.017 0.000 0.221 727 D C 1.426 177.905 176.300 0.298 0.000 0.986 727 D CA 0.798 54.993 54.000 0.325 0.000 0.899 727 D CB 0.231 41.154 40.800 0.204 0.000 0.902 727 D HN 0.214 nan 8.370 nan 0.000 0.530 728 K N 0.761 121.252 120.400 0.152 0.000 2.067 728 K HA 0.122 4.433 4.320 -0.017 0.000 0.203 728 K C 1.893 178.550 176.600 0.095 0.000 1.048 728 K CA 1.018 57.371 56.287 0.110 0.000 0.954 728 K CB -0.185 32.340 32.500 0.042 0.000 0.737 728 K HN -0.027 nan 8.250 nan 0.000 0.444 729 A N 0.713 123.571 122.820 0.064 0.000 1.902 729 A HA -0.016 4.294 4.320 -0.017 0.000 0.217 729 A C 2.426 179.984 177.584 -0.043 0.000 1.181 729 A CA 1.792 53.840 52.037 0.019 0.000 0.623 729 A CB -1.543 17.470 19.000 0.022 0.000 0.818 729 A HN 0.530 nan 8.150 nan 0.000 0.443 730 G N -0.749 107.999 108.800 -0.087 0.000 2.450 730 G HA2 -0.248 3.702 3.960 -0.017 0.000 0.220 730 G HA3 -0.248 3.702 3.960 -0.017 0.000 0.220 730 G C 1.783 176.370 174.900 -0.523 0.000 1.130 730 G CA 0.977 45.806 45.100 -0.452 0.000 0.760 730 G HN 0.566 nan 8.290 nan 0.000 0.557 731 R N -0.727 119.757 120.500 -0.028 0.000 2.127 731 R HA 0.276 4.606 4.340 -0.017 0.000 0.217 731 R C 2.486 178.810 176.300 0.040 0.000 1.074 731 R CA 0.081 56.262 56.100 0.135 0.000 0.991 731 R CB -0.311 30.172 30.300 0.305 0.000 0.895 731 R HN 0.300 nan 8.270 nan 0.000 0.450 732 L N 0.290 121.524 121.223 0.019 0.000 2.265 732 L HA -0.086 4.244 4.340 -0.017 0.000 0.215 732 L C 1.492 178.353 176.870 -0.016 0.000 1.117 732 L CA 0.784 55.629 54.840 0.008 0.000 0.782 732 L CB -0.052 42.013 42.059 0.010 0.000 0.914 732 L HN 0.161 nan 8.230 nan 0.000 0.441 733 A N -1.638 121.150 122.820 -0.054 0.000 2.610 733 A HA 0.078 4.388 4.320 -0.017 0.000 0.286 733 A C 1.559 179.097 177.584 -0.076 0.000 1.306 733 A CA -0.206 51.793 52.037 -0.064 0.000 0.942 733 A CB -0.002 18.948 19.000 -0.084 0.000 1.112 733 A HN 0.379 nan 8.150 nan 0.000 0.527 734 E N -0.813 119.356 120.200 -0.050 0.000 2.290 734 E HA 0.010 4.350 4.350 -0.017 0.000 0.199 734 E C 1.220 177.827 176.600 0.011 0.000 0.912 734 E CA 0.821 57.209 56.400 -0.020 0.000 0.924 734 E CB 0.416 30.125 29.700 0.015 0.000 0.901 734 E HN 0.296 nan 8.360 nan 0.000 0.487 735 V N 2.002 121.926 119.914 0.017 0.000 2.626 735 V HA -0.164 3.946 4.120 -0.017 0.000 0.252 735 V C 1.924 178.027 176.094 0.015 0.000 1.067 735 V CA 1.268 63.581 62.300 0.022 0.000 1.081 735 V CB -0.589 31.248 31.823 0.024 0.000 0.686 735 V HN 0.265 nan 8.190 nan 0.000 0.468 736 N N 0.877 119.581 118.700 0.007 0.000 2.188 736 N HA 0.002 4.732 4.740 -0.017 0.000 0.184 736 N C 0.898 176.414 175.510 0.009 0.000 1.018 736 N CA 0.757 53.811 53.050 0.006 0.000 0.858 736 N CB -0.266 38.220 38.487 -0.002 0.000 0.989 736 N HN 0.441 nan 8.380 nan 0.000 0.426 737 L N 3.737 124.965 121.223 0.009 0.000 2.505 737 L HA 0.046 4.376 4.340 -0.017 0.000 0.275 737 L C 0.852 177.737 176.870 0.025 0.000 1.264 737 L CA -0.210 54.639 54.840 0.016 0.000 1.148 737 L CB -0.531 41.537 42.059 0.015 0.000 1.377 737 L HN 0.009 nan 8.230 nan 0.000 0.442 738 K N 1.004 121.419 120.400 0.026 0.000 2.344 738 K HA -0.000 4.310 4.320 -0.017 0.000 0.260 738 K C 0.190 176.812 176.600 0.037 0.000 0.988 738 K CA -0.361 55.944 56.287 0.030 0.000 0.909 738 K CB 0.969 33.486 32.500 0.028 0.000 0.968 738 K HN 0.345 nan 8.250 nan 0.000 0.505 739 D N 1.100 121.523 120.400 0.038 0.000 2.384 739 D HA -0.092 4.538 4.640 -0.017 0.000 0.222 739 D C 1.671 178.004 176.300 0.056 0.000 0.976 739 D CA 0.934 54.960 54.000 0.042 0.000 0.915 739 D CB -0.167 40.654 40.800 0.034 0.000 0.896 739 D HN 0.526 nan 8.370 nan 0.000 0.523 740 L N -0.686 120.573 121.223 0.060 0.000 2.307 740 L HA 0.122 4.452 4.340 -0.017 0.000 0.211 740 L C 0.926 177.853 176.870 0.095 0.000 1.099 740 L CA -0.090 54.797 54.840 0.079 0.000 0.816 740 L CB -1.020 41.077 42.059 0.064 0.000 0.952 740 L HN -0.284 nan 8.230 nan 0.000 0.455 741 N N 2.248 120.992 118.700 0.073 0.000 2.355 741 N HA -0.142 4.588 4.740 -0.017 0.000 0.282 741 N C 0.933 176.512 175.510 0.114 0.000 1.374 741 N CA 0.105 53.198 53.050 0.070 0.000 0.929 741 N CB 0.019 38.535 38.487 0.048 0.000 1.278 741 N HN 0.231 nan 8.380 nan 0.000 0.491 742 N N 2.541 121.318 118.700 0.128 0.000 2.242 742 N HA -0.181 4.549 4.740 -0.017 0.000 0.191 742 N C 1.163 176.829 175.510 0.261 0.000 1.005 742 N CA 1.282 54.469 53.050 0.229 0.000 0.877 742 N CB -0.011 38.447 38.487 -0.050 0.000 0.983 742 N HN 0.390 nan 8.380 nan 0.000 0.439 743 V N 0.819 120.812 119.914 0.132 0.000 2.346 743 V HA -0.133 3.977 4.120 -0.017 0.000 0.244 743 V C 2.399 178.563 176.094 0.117 0.000 1.037 743 V CA 1.282 63.652 62.300 0.116 0.000 1.029 743 V CB -0.523 31.334 31.823 0.056 0.000 0.663 743 V HN 0.229 nan 8.190 nan 0.000 0.454 744 K N 0.111 120.565 120.400 0.090 0.000 2.103 744 K HA -0.243 4.067 4.320 -0.017 0.000 0.207 744 K C 2.323 178.964 176.600 0.069 0.000 1.048 744 K CA 1.553 57.882 56.287 0.069 0.000 0.930 744 K CB -0.140 32.392 32.500 0.054 0.000 0.716 744 K HN 0.532 nan 8.250 nan 0.000 0.444 745 Q N 0.035 119.888 119.800 0.088 0.000 2.077 745 Q HA -0.221 4.109 4.340 -0.017 0.000 0.206 745 Q C 1.966 177.969 176.000 0.006 0.000 0.989 745 Q CA 1.829 57.648 55.803 0.026 0.000 0.853 745 Q CB -0.340 28.389 28.738 -0.014 0.000 0.907 745 Q HN 0.492 nan 8.270 nan 0.000 0.418 746 M N 0.181 119.827 119.600 0.077 0.000 2.686 746 M HA -0.049 4.421 4.480 -0.017 0.000 0.246 746 M C 1.546 177.879 176.300 0.056 0.000 1.096 746 M CA 0.454 55.798 55.300 0.073 0.000 1.076 746 M CB 0.311 33.004 32.600 0.154 0.000 1.504 746 M HN -0.020 nan 8.290 nan 0.000 0.524 747 V N -1.231 118.716 119.914 0.054 0.000 3.013 747 V HA 0.023 4.133 4.120 -0.017 0.000 0.238 747 V C 2.018 178.135 176.094 0.039 0.000 1.161 747 V CA 0.568 62.900 62.300 0.053 0.000 1.170 747 V CB -0.174 31.689 31.823 0.067 0.000 0.917 747 V HN 0.386 nan 8.190 nan 0.000 0.478 748 M N 0.624 120.241 119.600 0.029 0.000 2.202 748 M HA -0.137 4.333 4.480 -0.017 0.000 0.262 748 M C 2.091 178.389 176.300 -0.003 0.000 1.063 748 M CA 2.170 57.479 55.300 0.015 0.000 1.097 748 M CB -0.272 32.332 32.600 0.008 0.000 1.382 748 M HN 0.443 nan 8.290 nan 0.000 0.413 749 A N -0.947 121.865 122.820 -0.013 0.000 1.997 749 A HA 0.374 4.684 4.320 -0.017 0.000 0.212 749 A C 1.643 179.222 177.584 -0.008 0.000 1.178 749 A CA 0.846 52.868 52.037 -0.025 0.000 0.698 749 A CB -0.402 18.568 19.000 -0.050 0.000 0.842 749 A HN 0.565 nan 8.150 nan 0.000 0.458 750 G N 0.232 109.036 108.800 0.008 0.000 2.182 750 G HA2 -0.265 3.685 3.960 -0.017 0.000 0.248 750 G HA3 -0.265 3.685 3.960 -0.017 0.000 0.248 750 G C 1.017 175.925 174.900 0.013 0.000 1.042 750 G CA 1.273 46.382 45.100 0.015 0.000 0.775 750 G HN 1.367 nan 8.290 nan 0.000 0.501 751 S N -1.014 114.696 115.700 0.016 0.000 2.343 751 S HA 0.139 4.600 4.470 -0.017 0.000 0.219 751 S C 0.929 175.545 174.600 0.027 0.000 1.033 751 S CA 1.798 60.011 58.200 0.021 0.000 1.014 751 S CB 0.311 63.528 63.200 0.029 0.000 0.915 751 S HN 0.704 nan 8.310 nan 0.000 0.435 752 K N -0.287 120.137 120.400 0.041 0.000 2.557 752 K HA 0.539 4.850 4.320 -0.017 0.000 0.257 752 K C -0.735 175.898 176.600 0.055 0.000 0.933 752 K CA 0.074 56.382 56.287 0.036 0.000 0.820 752 K CB 1.830 34.352 32.500 0.035 0.000 1.330 752 K HN 0.663 nan 8.250 nan 0.000 0.432 753 G N 1.042 109.874 108.800 0.054 0.000 2.570 753 G HA2 0.086 4.036 3.960 -0.017 0.000 0.686 753 G HA3 0.086 4.036 3.960 -0.017 0.000 0.686 753 G C -0.792 174.160 174.900 0.087 0.000 1.257 753 G CA -0.300 44.850 45.100 0.083 0.000 0.846 753 G HN 0.934 nan 8.290 nan 0.000 0.627 754 S N -0.834 114.936 115.700 0.116 0.000 3.070 754 S HA 0.723 5.183 4.470 -0.017 0.000 0.320 754 S C 0.873 175.575 174.600 0.170 0.000 1.215 754 S CA 0.369 58.656 58.200 0.144 0.000 0.956 754 S CB 0.743 64.038 63.200 0.157 0.000 1.337 754 S HN 1.718 nan 8.310 nan 0.000 0.639 755 F N 1.702 121.685 119.950 0.055 0.000 2.069 755 F HA -0.009 4.508 4.527 -0.017 0.000 0.298 755 F C 2.034 177.862 175.800 0.047 0.000 1.113 755 F CA 2.017 60.045 58.000 0.047 0.000 1.214 755 F CB -0.232 38.794 39.000 0.043 0.000 0.978 755 F HN 0.449 nan 8.300 nan 0.000 0.474 756 I N 0.375 121.141 120.570 0.326 0.000 2.394 756 I HA -0.270 3.890 4.170 -0.017 0.000 0.251 756 I C 1.855 177.979 176.117 0.012 0.000 1.136 756 I CA 1.108 62.516 61.300 0.180 0.000 1.425 756 I CB -1.710 36.435 38.000 0.240 0.000 1.079 756 I HN 0.311 nan 8.210 nan 0.000 0.425 757 N N 1.131 119.869 118.700 0.062 0.000 2.142 757 N HA -0.125 4.605 4.740 -0.017 0.000 0.186 757 N C 1.948 177.449 175.510 -0.015 0.000 1.023 757 N CA 1.083 54.149 53.050 0.028 0.000 0.852 757 N CB 0.148 38.696 38.487 0.101 0.000 0.998 757 N HN 0.249 nan 8.380 nan 0.000 0.424 758 I N 1.735 122.278 120.570 -0.045 0.000 2.286 758 I HA -0.102 4.058 4.170 -0.017 0.000 0.245 758 I C 2.316 178.350 176.117 -0.138 0.000 1.104 758 I CA 0.534 61.777 61.300 -0.096 0.000 1.397 758 I CB -1.085 36.832 38.000 -0.139 0.000 1.072 758 I HN -0.028 nan 8.210 nan 0.000 0.417 759 A N 0.040 122.735 122.820 -0.208 0.000 1.858 759 A HA -0.247 4.063 4.320 -0.017 0.000 0.216 759 A C 2.168 179.700 177.584 -0.087 0.000 1.190 759 A CA 1.472 53.392 52.037 -0.196 0.000 0.617 759 A CB -0.686 18.192 19.000 -0.204 0.000 0.827 759 A HN 0.514 nan 8.150 nan 0.000 0.443 760 Q N -1.181 118.591 119.800 -0.046 0.000 2.170 760 Q HA -0.057 4.273 4.340 -0.017 0.000 0.203 760 Q C 2.019 178.096 176.000 0.128 0.000 0.976 760 Q CA 1.357 57.172 55.803 0.019 0.000 0.858 760 Q CB -0.208 28.581 28.738 0.085 0.000 0.907 760 Q HN 0.682 nan 8.270 nan 0.000 0.433 761 M N -0.894 118.758 119.600 0.086 0.000 2.562 761 M HA -0.033 4.437 4.480 -0.017 0.000 0.257 761 M C 0.977 177.302 176.300 0.042 0.000 1.099 761 M CA 0.870 56.228 55.300 0.096 0.000 1.099 761 M CB 0.512 33.127 32.600 0.025 0.000 1.427 761 M HN 0.050 nan 8.290 nan 0.000 0.489 762 S N -1.605 114.092 115.700 -0.005 0.000 2.692 762 S HA 0.327 4.788 4.470 -0.017 0.000 0.269 762 S C 1.212 175.789 174.600 -0.039 0.000 1.080 762 S CA 0.104 58.289 58.200 -0.023 0.000 1.058 762 S CB 0.577 63.755 63.200 -0.036 0.000 0.982 762 S HN 0.409 nan 8.310 nan 0.000 0.534 763 A N 1.345 124.132 122.820 -0.055 0.000 2.283 763 A HA 0.674 4.984 4.320 -0.017 0.000 0.225 763 A C 0.721 178.260 177.584 -0.074 0.000 2.109 763 A CA 0.832 52.836 52.037 -0.054 0.000 0.889 763 A CB -0.418 18.551 19.000 -0.052 0.000 1.437 763 A HN 1.023 nan 8.150 nan 0.000 0.595 764 C N -1.898 117.349 119.300 -0.089 0.000 3.171 764 C HA 0.597 5.047 4.460 -0.017 0.000 0.336 764 C C 1.034 175.920 174.990 -0.173 0.000 1.198 764 C CA -0.058 58.863 59.018 -0.163 0.000 1.319 764 C CB 0.784 28.425 27.740 -0.164 0.000 1.682 764 C HN 1.311 nan 8.230 nan 0.000 0.497 765 V N 1.864 121.598 119.914 -0.299 0.000 3.306 765 V HA 0.579 4.689 4.120 -0.017 0.000 0.264 765 V C 1.233 177.258 176.094 -0.115 0.000 1.149 765 V CA 1.920 64.059 62.300 -0.269 0.000 1.143 765 V CB -0.920 30.569 31.823 -0.558 0.000 0.767 765 V HN 2.916 nan 8.190 nan 0.000 0.476 766 G N 0.453 109.192 108.800 -0.102 0.000 2.728 766 G HA2 -0.236 3.715 3.960 -0.017 0.000 0.294 766 G HA3 -0.236 3.715 3.960 -0.017 0.000 0.294 766 G C -0.510 174.529 174.900 0.233 0.000 1.342 766 G CA 0.044 45.239 45.100 0.157 0.000 0.866 766 G HN 1.043 nan 8.290 nan 0.000 0.534 767 Q N 0.501 120.560 119.800 0.432 0.000 2.300 767 Q HA 0.427 4.757 4.340 -0.017 0.000 0.262 767 Q C 0.715 176.806 176.000 0.152 0.000 1.109 767 Q CA 0.168 56.155 55.803 0.307 0.000 0.905 767 Q CB 0.387 29.241 28.738 0.194 0.000 1.280 767 Q HN 0.504 nan 8.270 nan 0.000 0.426 768 Q N 1.678 121.553 119.800 0.124 0.000 2.394 768 Q HA 0.352 4.682 4.340 -0.017 0.000 0.248 768 Q C -0.632 175.395 176.000 0.044 0.000 0.992 768 Q CA 0.116 55.980 55.803 0.100 0.000 0.888 768 Q CB 1.502 30.318 28.738 0.130 0.000 1.257 768 Q HN 0.849 nan 8.270 nan 0.000 0.462 769 S N -0.806 114.915 115.700 0.036 0.000 2.564 769 S HA 0.707 5.167 4.470 -0.017 0.000 0.274 769 S C -0.944 173.660 174.600 0.005 0.000 1.124 769 S CA -0.846 57.357 58.200 0.005 0.000 0.869 769 S CB 1.586 64.792 63.200 0.010 0.000 1.105 769 S HN 0.227 nan 8.310 nan 0.000 0.472 770 V N 1.885 121.793 119.914 -0.009 0.000 2.531 770 V HA 0.525 4.635 4.120 -0.017 0.000 0.301 770 V C -0.137 175.955 176.094 -0.003 0.000 1.034 770 V CA -0.559 61.739 62.300 -0.003 0.000 0.865 770 V CB 0.824 32.647 31.823 -0.000 0.000 0.995 770 V HN 1.150 nan 8.190 nan 0.000 0.424 771 E N 3.626 123.829 120.200 0.004 0.000 2.360 771 E HA -0.297 4.043 4.350 -0.017 0.000 0.238 771 E C 1.288 177.892 176.600 0.005 0.000 1.186 771 E CA 0.635 57.039 56.400 0.007 0.000 0.719 771 E CB -1.268 28.436 29.700 0.006 0.000 1.236 771 E HN 1.501 nan 8.360 nan 0.000 0.386 772 G N -0.170 108.634 108.800 0.007 0.000 2.304 772 G HA2 -0.409 3.541 3.960 -0.017 0.000 0.252 772 G HA3 -0.409 3.541 3.960 -0.017 0.000 0.252 772 G C 0.363 175.259 174.900 -0.007 0.000 1.014 772 G CA 0.899 46.002 45.100 0.006 0.000 0.619 772 G HN 0.303 nan 8.290 nan 0.000 0.525 773 K N 1.286 121.676 120.400 -0.017 0.000 2.123 773 K HA 0.498 4.808 4.320 -0.017 0.000 0.259 773 K C 1.207 177.773 176.600 -0.058 0.000 0.960 773 K CA -0.953 55.311 56.287 -0.037 0.000 0.872 773 K CB 0.600 33.079 32.500 -0.035 0.000 1.079 773 K HN 0.477 nan 8.250 nan 0.000 0.440 774 R N 3.285 123.734 120.500 -0.085 0.000 2.698 774 R HA 0.027 4.357 4.340 -0.017 0.000 0.266 774 R C 0.068 176.266 176.300 -0.170 0.000 1.026 774 R CA -0.502 55.526 56.100 -0.119 0.000 1.102 774 R CB -0.053 30.162 30.300 -0.142 0.000 0.978 774 R HN 0.440 nan 8.270 nan 0.000 0.436 775 I N 1.623 122.076 120.570 -0.195 0.000 3.310 775 I HA -0.230 3.930 4.170 -0.017 0.000 0.345 775 I C 0.943 176.928 176.117 -0.220 0.000 1.215 775 I CA 0.870 62.054 61.300 -0.194 0.000 1.472 775 I CB -1.129 36.677 38.000 -0.324 0.000 1.305 775 I HN 0.811 nan 8.210 nan 0.000 0.500 776 A N 8.183 130.937 122.820 -0.110 0.000 2.407 776 A HA 0.278 4.588 4.320 -0.017 0.000 0.248 776 A C 0.040 177.623 177.584 -0.002 0.000 1.082 776 A CA -0.381 51.601 52.037 -0.093 0.000 0.785 776 A CB 0.074 19.069 19.000 -0.009 0.000 1.020 776 A HN 0.567 nan 8.150 nan 0.000 0.489 777 F N 2.286 122.239 119.950 0.005 0.000 2.502 777 F HA 0.180 4.697 4.527 -0.017 0.000 0.361 777 F C 1.657 177.487 175.800 0.049 0.000 1.157 777 F CA 0.117 58.135 58.000 0.030 0.000 1.096 777 F CB 0.680 39.682 39.000 0.004 0.000 1.141 777 F HN 0.827 nan 8.300 nan 0.000 0.579 778 G N 4.855 113.824 108.800 0.282 0.000 2.499 778 G HA2 -0.095 3.855 3.960 -0.017 0.000 0.213 778 G HA3 -0.095 3.855 3.960 -0.017 0.000 0.213 778 G C 0.331 175.222 174.900 -0.015 0.000 1.230 778 G CA -0.167 44.970 45.100 0.062 0.000 0.813 778 G HN 0.350 nan 8.290 nan 0.000 0.542 779 F N 0.489 120.513 119.950 0.124 0.000 2.539 779 F HA 0.272 4.789 4.527 -0.017 0.000 0.340 779 F C 0.865 176.652 175.800 -0.022 0.000 1.185 779 F CA -0.622 57.407 58.000 0.049 0.000 1.333 779 F CB 0.662 39.690 39.000 0.048 0.000 1.152 779 F HN -0.167 nan 8.300 nan 0.000 0.602 780 V N 2.626 122.629 119.914 0.147 0.000 2.450 780 V HA -0.031 4.079 4.120 -0.017 0.000 0.281 780 V C 0.002 176.010 176.094 -0.142 0.000 1.019 780 V CA 0.139 62.443 62.300 0.008 0.000 1.062 780 V CB -0.161 31.674 31.823 0.020 0.000 0.979 780 V HN 0.873 nan 8.190 nan 0.000 0.477 781 D N 1.817 122.022 120.400 -0.324 0.000 3.006 781 D HA -0.209 4.422 4.640 -0.017 0.000 0.208 781 D C 0.570 176.071 176.300 -1.331 0.000 1.116 781 D CA 2.055 55.637 54.000 -0.697 0.000 0.998 781 D CB -0.556 40.062 40.800 -0.304 0.000 1.124 781 D HN 0.937 nan 8.370 nan 0.000 0.413 782 R N -2.042 117.922 120.500 -0.893 0.000 2.808 782 R HA 0.701 5.031 4.340 -0.017 0.000 0.272 782 R C 1.012 177.463 176.300 0.252 0.000 0.995 782 R CA -0.346 55.474 56.100 -0.467 0.000 0.917 782 R CB 0.843 31.090 30.300 -0.088 0.000 1.217 782 R HN -0.077 nan 8.270 nan 0.000 0.471 783 T N -1.097 113.814 114.554 0.595 0.000 2.978 783 T HA 0.256 4.596 4.350 -0.017 0.000 0.262 783 T C 0.864 176.033 174.700 0.782 0.000 1.063 783 T CA 0.321 62.826 62.100 0.675 0.000 1.140 783 T CB -0.008 69.108 68.868 0.413 0.000 0.886 783 T HN 0.342 nan 8.240 nan 0.000 0.470 784 L N 0.288 121.885 121.223 0.625 0.000 2.568 784 L HA 0.365 4.695 4.340 -0.017 0.000 0.257 784 L C -1.981 174.736 176.870 -0.255 0.000 1.024 784 L CA -2.353 52.635 54.840 0.247 0.000 0.854 784 L CB 2.727 45.049 42.059 0.439 0.000 1.460 784 L HN -0.296 nan 8.230 nan 0.000 0.409 785 P HA -0.126 nan 4.420 nan 0.000 0.223 785 P C 0.955 177.980 177.300 -0.458 0.000 1.151 785 P CA 1.310 64.060 63.100 -0.582 0.000 0.787 785 P CB 0.048 31.367 31.700 -0.636 0.000 0.788 786 H N -1.493 117.321 119.070 -0.427 0.000 2.555 786 H HA 0.115 4.661 4.556 -0.017 0.000 0.269 786 H C 0.540 175.495 175.328 -0.621 0.000 0.988 786 H CA 0.419 56.144 56.048 -0.538 0.000 1.178 786 H CB -0.256 29.096 29.762 -0.684 0.000 1.373 786 H HN 0.220 nan 8.280 nan 0.000 0.588 787 F N 0.146 120.128 119.950 0.054 0.000 2.541 787 F HA 0.312 4.829 4.527 -0.017 0.000 0.331 787 F C 0.741 176.530 175.800 -0.018 0.000 1.057 787 F CA -1.182 56.846 58.000 0.048 0.000 0.975 787 F CB 1.204 40.267 39.000 0.105 0.000 1.246 787 F HN -0.270 nan 8.300 nan 0.000 0.484 788 S N 0.407 116.230 115.700 0.204 0.000 2.584 788 S HA 0.235 4.695 4.470 -0.017 0.000 0.273 788 S C -0.297 174.340 174.600 0.060 0.000 1.311 788 S CA -1.010 57.241 58.200 0.085 0.000 1.034 788 S CB 0.629 63.872 63.200 0.071 0.000 0.939 788 S HN 0.386 nan 8.310 nan 0.000 0.513 789 K N 1.928 122.319 120.400 -0.014 0.000 2.518 789 K HA -0.020 4.290 4.320 -0.017 0.000 0.276 789 K C -0.548 176.008 176.600 -0.073 0.000 0.974 789 K CA 0.420 56.651 56.287 -0.093 0.000 0.986 789 K CB 0.029 32.472 32.500 -0.096 0.000 0.901 789 K HN 0.580 nan 8.250 nan 0.000 0.497 790 D N 2.231 122.526 120.400 -0.175 0.000 3.515 790 D HA -0.150 4.480 4.640 -0.017 0.000 0.247 790 D C -1.126 175.233 176.300 0.097 0.000 1.084 790 D CA 0.919 54.906 54.000 -0.021 0.000 1.030 790 D CB -0.538 40.295 40.800 0.056 0.000 0.946 790 D HN 0.553 nan 8.370 nan 0.000 0.420 791 D N 0.714 121.187 120.400 0.121 0.000 2.330 791 D HA 0.171 4.801 4.640 -0.017 0.000 0.249 791 D C 0.002 176.344 176.300 0.069 0.000 1.306 791 D CA -0.493 53.578 54.000 0.118 0.000 0.956 791 D CB 0.087 40.919 40.800 0.053 0.000 1.261 791 D HN 0.152 nan 8.370 nan 0.000 0.544 792 Y N 1.049 121.442 120.300 0.154 0.000 2.502 792 Y HA 0.070 4.610 4.550 -0.016 0.000 0.295 792 Y C 1.640 177.587 175.900 0.078 0.000 1.193 792 Y CA -0.004 58.176 58.100 0.133 0.000 1.295 792 Y CB 0.166 38.773 38.460 0.244 0.000 1.059 792 Y HN 0.271 nan 8.280 nan 0.000 0.514 793 S N 0.957 116.741 115.700 0.141 0.000 2.608 793 S HA 0.086 4.546 4.470 -0.017 0.000 0.261 793 S C -1.381 173.216 174.600 -0.006 0.000 1.314 793 S CA -1.071 57.175 58.200 0.077 0.000 0.992 793 S CB 1.172 64.418 63.200 0.076 0.000 0.935 793 S HN 0.026 nan 8.310 nan 0.000 0.564 794 P HA -0.096 nan 4.420 nan 0.000 0.215 794 P C 1.227 178.591 177.300 0.106 0.000 1.157 794 P CA 1.178 64.302 63.100 0.039 0.000 0.856 794 P CB -0.297 31.426 31.700 0.038 0.000 0.786 795 E N -0.129 120.156 120.200 0.142 0.000 2.510 795 E HA -0.085 4.256 4.350 -0.017 0.000 0.202 795 E C 1.412 177.997 176.600 -0.024 0.000 1.072 795 E CA 0.813 57.300 56.400 0.146 0.000 0.883 795 E CB -0.568 29.245 29.700 0.188 0.000 0.818 795 E HN 0.175 nan 8.360 nan 0.000 0.548 796 S N -0.625 114.932 115.700 -0.238 0.000 2.589 796 S HA 0.152 4.612 4.470 -0.017 0.000 0.235 796 S C 1.228 175.509 174.600 -0.533 0.000 1.051 796 S CA -0.372 57.443 58.200 -0.642 0.000 0.978 796 S CB 0.374 63.232 63.200 -0.571 0.000 0.929 796 S HN 0.031 nan 8.310 nan 0.000 0.523 797 K N 0.537 120.689 120.400 -0.413 0.000 2.402 797 K HA 0.345 4.655 4.320 -0.017 0.000 0.204 797 K C 0.584 176.879 176.600 -0.507 0.000 1.056 797 K CA 0.645 56.647 56.287 -0.476 0.000 1.069 797 K CB 1.377 33.654 32.500 -0.370 0.000 0.888 797 K HN 0.346 nan 8.250 nan 0.000 0.546 798 G N 1.871 110.388 108.800 -0.472 0.000 2.192 798 G HA2 -0.165 3.785 3.960 -0.017 0.000 0.152 798 G HA3 -0.165 3.785 3.960 -0.017 0.000 0.152 798 G C -0.822 174.097 174.900 0.033 0.000 1.057 798 G CA -0.719 44.170 45.100 -0.352 0.000 0.748 798 G HN 0.151 nan 8.290 nan 0.000 0.488 799 F N 1.830 121.744 119.950 -0.060 0.000 2.415 799 F HA 0.684 5.202 4.527 -0.016 0.000 0.348 799 F C 0.004 175.831 175.800 0.045 0.000 1.119 799 F CA -1.256 56.742 58.000 -0.003 0.000 1.069 799 F CB 1.926 40.917 39.000 -0.015 0.000 1.124 799 F HN 0.027 nan 8.300 nan 0.000 0.472 800 V N 7.216 126.686 119.914 -0.740 0.000 2.293 800 V HA 0.164 4.274 4.120 -0.017 0.000 0.275 800 V C 0.860 176.397 176.094 -0.929 0.000 1.021 800 V CA -0.460 61.476 62.300 -0.606 0.000 0.815 800 V CB 0.945 32.554 31.823 -0.357 0.000 1.025 800 V HN 0.934 nan 8.190 nan 0.000 0.448 801 E N 3.567 123.329 120.200 -0.729 0.000 2.338 801 E HA -0.090 4.250 4.350 -0.017 0.000 0.197 801 E C 0.576 177.018 176.600 -0.264 0.000 1.007 801 E CA 0.557 56.672 56.400 -0.475 0.000 0.849 801 E CB 0.344 29.954 29.700 -0.150 0.000 0.774 801 E HN 0.793 nan 8.360 nan 0.000 0.506 802 N N -0.057 118.487 118.700 -0.261 0.000 2.476 802 N HA 0.100 4.830 4.740 -0.017 0.000 0.275 802 N C -0.408 174.954 175.510 -0.246 0.000 1.190 802 N CA -0.193 52.742 53.050 -0.192 0.000 0.977 802 N CB 1.547 39.942 38.487 -0.153 0.000 1.200 802 N HN 0.031 nan 8.380 nan 0.000 0.515 803 S N -0.601 114.987 115.700 -0.186 0.000 2.607 803 S HA 0.231 4.691 4.470 -0.017 0.000 0.272 803 S C 0.445 174.886 174.600 -0.264 0.000 1.166 803 S CA -0.179 57.902 58.200 -0.198 0.000 1.021 803 S CB 0.062 63.215 63.200 -0.078 0.000 1.113 803 S HN 0.564 nan 8.310 nan 0.000 0.531 804 Y N -0.559 119.686 120.300 -0.092 0.000 2.503 804 Y HA 0.209 4.749 4.550 -0.016 0.000 0.278 804 Y C 2.104 177.977 175.900 -0.044 0.000 1.111 804 Y CA 0.085 58.140 58.100 -0.074 0.000 1.270 804 Y CB -0.121 38.295 38.460 -0.073 0.000 1.063 804 Y HN 0.494 nan 8.280 nan 0.000 0.548 805 L N 0.478 121.758 121.223 0.094 0.000 2.083 805 L HA -0.173 4.157 4.340 -0.017 0.000 0.209 805 L C 2.018 178.902 176.870 0.023 0.000 1.083 805 L CA 1.806 56.674 54.840 0.047 0.000 0.752 805 L CB -0.164 41.909 42.059 0.023 0.000 0.899 805 L HN 0.019 nan 8.230 nan 0.000 0.433 806 R N -0.051 120.449 120.500 -0.000 0.000 2.161 806 R HA 0.294 4.624 4.340 -0.017 0.000 0.213 806 R C 0.503 176.799 176.300 -0.007 0.000 1.055 806 R CA 0.534 56.626 56.100 -0.012 0.000 0.996 806 R CB -0.222 30.059 30.300 -0.033 0.000 0.901 806 R HN 0.460 nan 8.270 nan 0.000 0.456 807 G N 1.275 110.074 108.800 -0.002 0.000 3.295 807 G HA2 -0.182 3.768 3.960 -0.017 0.000 0.686 807 G HA3 -0.182 3.768 3.960 -0.017 0.000 0.686 807 G C -0.619 174.270 174.900 -0.018 0.000 0.958 807 G CA -1.004 44.105 45.100 0.016 0.000 0.787 807 G HN -0.028 nan 8.290 nan 0.000 0.523 808 L N 1.436 122.647 121.223 -0.021 0.000 2.473 808 L HA 0.571 4.901 4.340 -0.017 0.000 0.265 808 L C 1.838 178.725 176.870 0.028 0.000 1.243 808 L CA 0.929 55.752 54.840 -0.029 0.000 0.822 808 L CB 0.275 42.321 42.059 -0.022 0.000 1.101 808 L HN 1.054 nan 8.230 nan 0.000 0.507 809 T N -2.320 112.249 114.554 0.025 0.000 2.929 809 T HA 0.444 4.784 4.350 -0.017 0.000 0.284 809 T C -1.949 172.779 174.700 0.046 0.000 1.014 809 T CA -1.878 60.232 62.100 0.018 0.000 1.051 809 T CB 1.577 70.446 68.868 0.002 0.000 1.028 809 T HN 0.382 nan 8.240 nan 0.000 0.485 810 P HA -0.272 nan 4.420 nan 0.000 0.216 810 P C 1.493 178.768 177.300 -0.042 0.000 1.167 810 P CA 1.581 64.651 63.100 -0.051 0.000 0.933 810 P CB -0.017 31.584 31.700 -0.166 0.000 0.793 811 Q N -0.001 119.711 119.800 -0.147 0.000 2.028 811 Q HA -0.258 4.072 4.340 -0.017 0.000 0.213 811 Q C 2.266 178.179 176.000 -0.144 0.000 1.017 811 Q CA 2.416 58.118 55.803 -0.168 0.000 0.875 811 Q CB -0.878 27.899 28.738 0.065 0.000 0.962 811 Q HN 0.442 nan 8.270 nan 0.000 0.413 812 E N -0.108 120.157 120.200 0.109 0.000 2.033 812 E HA -0.236 4.104 4.350 -0.017 0.000 0.199 812 E C 1.764 178.459 176.600 0.158 0.000 1.011 812 E CA 1.280 57.804 56.400 0.207 0.000 0.815 812 E CB -0.392 29.364 29.700 0.094 0.000 0.755 812 E HN 0.283 nan 8.360 nan 0.000 0.451 813 F N 0.915 120.866 119.950 0.003 0.000 2.045 813 F HA -0.352 4.164 4.527 -0.017 0.000 0.297 813 F C 2.149 177.995 175.800 0.076 0.000 1.114 813 F CA 1.950 59.975 58.000 0.042 0.000 1.207 813 F CB -0.438 38.574 39.000 0.021 0.000 0.964 813 F HN 0.015 nan 8.300 nan 0.000 0.486 814 F N 0.198 120.222 119.950 0.123 0.000 2.091 814 F HA -0.279 4.238 4.527 -0.016 0.000 0.299 814 F C 2.050 177.831 175.800 -0.032 0.000 1.103 814 F CA 2.016 60.025 58.000 0.014 0.000 1.228 814 F CB -0.884 38.007 39.000 -0.182 0.000 0.984 814 F HN 0.056 nan 8.300 nan 0.000 0.477 815 F N -1.010 119.095 119.950 0.257 0.000 2.069 815 F HA -0.271 4.246 4.527 -0.017 0.000 0.298 815 F C 2.627 178.413 175.800 -0.024 0.000 1.113 815 F CA 1.451 59.529 58.000 0.130 0.000 1.214 815 F CB -1.134 37.968 39.000 0.170 0.000 0.978 815 F HN 0.051 nan 8.300 nan 0.000 0.474 816 H N 0.480 119.581 119.070 0.052 0.000 2.357 816 H HA -0.241 4.305 4.556 -0.017 0.000 0.296 816 H C 2.046 177.264 175.328 -0.184 0.000 1.108 816 H CA 1.613 57.604 56.048 -0.094 0.000 1.273 816 H CB -0.473 29.168 29.762 -0.203 0.000 1.367 816 H HN 0.209 nan 8.280 nan 0.000 0.498 817 A N 0.622 123.229 122.820 -0.355 0.000 1.841 817 A HA -0.264 4.046 4.320 -0.017 0.000 0.216 817 A C 2.577 179.964 177.584 -0.327 0.000 1.199 817 A CA 2.239 54.028 52.037 -0.414 0.000 0.621 817 A CB -0.984 17.752 19.000 -0.440 0.000 0.835 817 A HN 0.567 nan 8.150 nan 0.000 0.445 818 M N -0.412 119.005 119.600 -0.305 0.000 2.103 818 M HA -0.233 4.237 4.480 -0.017 0.000 0.255 818 M C 2.225 178.453 176.300 -0.120 0.000 1.074 818 M CA 1.776 56.971 55.300 -0.176 0.000 1.090 818 M CB -1.045 31.541 32.600 -0.023 0.000 1.325 818 M HN 0.548 nan 8.290 nan 0.000 0.403 819 G N -0.094 108.642 108.800 -0.107 0.000 2.552 819 G HA2 -0.128 3.822 3.960 -0.017 0.000 0.216 819 G HA3 -0.128 3.822 3.960 -0.017 0.000 0.216 819 G C 1.505 176.314 174.900 -0.152 0.000 1.240 819 G CA 1.085 46.128 45.100 -0.095 0.000 0.796 819 G HN 0.563 nan 8.290 nan 0.000 0.568 820 G N 0.971 109.605 108.800 -0.276 0.000 2.624 820 G HA2 -0.407 3.543 3.960 -0.017 0.000 0.221 820 G HA3 -0.407 3.543 3.960 -0.017 0.000 0.221 820 G C 1.870 176.624 174.900 -0.242 0.000 1.169 820 G CA 1.836 46.763 45.100 -0.289 0.000 0.771 820 G HN 0.561 nan 8.290 nan 0.000 0.598 821 R N 0.809 121.179 120.500 -0.217 0.000 2.113 821 R HA -0.134 4.196 4.340 -0.017 0.000 0.244 821 R C 2.400 178.617 176.300 -0.137 0.000 1.142 821 R CA 2.318 58.312 56.100 -0.176 0.000 0.953 821 R CB -0.815 29.395 30.300 -0.151 0.000 0.860 821 R HN 0.551 nan 8.270 nan 0.000 0.438 822 E N -1.310 118.829 120.200 -0.103 0.000 2.209 822 E HA -0.129 4.211 4.350 -0.017 0.000 0.196 822 E C 1.700 178.264 176.600 -0.059 0.000 0.993 822 E CA 1.119 57.482 56.400 -0.062 0.000 0.819 822 E CB -0.328 29.352 29.700 -0.033 0.000 0.745 822 E HN 0.620 nan 8.360 nan 0.000 0.477 823 G N 0.801 109.548 108.800 -0.089 0.000 2.404 823 G HA2 -0.223 3.727 3.960 -0.017 0.000 0.215 823 G HA3 -0.223 3.727 3.960 -0.017 0.000 0.215 823 G C 1.419 176.232 174.900 -0.145 0.000 1.174 823 G CA 0.346 45.398 45.100 -0.080 0.000 0.780 823 G HN 0.191 nan 8.290 nan 0.000 0.537 824 L N 0.777 121.846 121.223 -0.256 0.000 2.622 824 L HA 0.051 4.381 4.340 -0.017 0.000 0.233 824 L C 2.299 179.102 176.870 -0.111 0.000 1.156 824 L CA -0.323 54.382 54.840 -0.225 0.000 0.866 824 L CB -0.212 41.685 42.059 -0.270 0.000 0.980 824 L HN 0.133 nan 8.230 nan 0.000 0.448 825 I N 0.845 121.365 120.570 -0.084 0.000 2.188 825 I HA -0.208 3.952 4.170 -0.017 0.000 0.237 825 I C 2.053 178.155 176.117 -0.024 0.000 1.073 825 I CA 1.528 62.799 61.300 -0.048 0.000 1.359 825 I CB -1.121 36.855 38.000 -0.040 0.000 1.083 825 I HN 0.347 nan 8.210 nan 0.000 0.412 826 D N -0.436 119.958 120.400 -0.010 0.000 2.378 826 D HA -0.124 4.506 4.640 -0.017 0.000 0.222 826 D C 1.697 178.008 176.300 0.018 0.000 0.980 826 D CA 0.770 54.775 54.000 0.008 0.000 0.907 826 D CB -0.751 40.060 40.800 0.019 0.000 0.899 826 D HN 0.195 nan 8.370 nan 0.000 0.527 827 T N -0.277 114.286 114.554 0.016 0.000 2.746 827 T HA -0.074 4.266 4.350 -0.017 0.000 0.267 827 T C 2.006 176.715 174.700 0.015 0.000 1.039 827 T CA 1.700 63.819 62.100 0.032 0.000 1.142 827 T CB -0.245 68.637 68.868 0.023 0.000 0.866 827 T HN 0.435 nan 8.240 nan 0.000 0.444 828 A N 0.125 122.944 122.820 -0.001 0.000 2.014 828 A HA 0.318 4.628 4.320 -0.017 0.000 0.210 828 A C 2.297 179.878 177.584 -0.004 0.000 1.188 828 A CA 0.410 52.444 52.037 -0.005 0.000 0.731 828 A CB -0.009 18.983 19.000 -0.014 0.000 0.858 828 A HN 0.340 nan 8.150 nan 0.000 0.464 829 V N -0.540 119.372 119.914 -0.004 0.000 2.635 829 V HA 0.061 4.171 4.120 -0.017 0.000 0.233 829 V C 2.168 178.267 176.094 0.007 0.000 1.097 829 V CA 1.319 63.617 62.300 -0.003 0.000 1.134 829 V CB -0.888 30.930 31.823 -0.008 0.000 0.841 829 V HN 0.417 nan 8.190 nan 0.000 0.496 830 K N 0.278 120.684 120.400 0.011 0.000 2.280 830 K HA -0.152 4.158 4.320 -0.017 0.000 0.202 830 K C 2.114 178.729 176.600 0.024 0.000 1.047 830 K CA 1.635 57.933 56.287 0.019 0.000 0.942 830 K CB -0.230 32.281 32.500 0.019 0.000 0.739 830 K HN 0.526 nan 8.250 nan 0.000 0.457 831 T N 0.765 115.331 114.554 0.020 0.000 2.665 831 T HA -0.223 4.118 4.350 -0.017 0.000 0.268 831 T C 1.804 176.522 174.700 0.029 0.000 1.035 831 T CA 1.483 63.595 62.100 0.020 0.000 1.151 831 T CB -0.355 68.523 68.868 0.016 0.000 0.862 831 T HN 0.409 nan 8.240 nan 0.000 0.438 832 A N 1.694 124.531 122.820 0.029 0.000 1.884 832 A HA -0.271 4.039 4.320 -0.017 0.000 0.219 832 A C 2.177 179.816 177.584 0.091 0.000 1.197 832 A CA 2.166 54.228 52.037 0.041 0.000 0.637 832 A CB -0.814 18.193 19.000 0.011 0.000 0.827 832 A HN 0.611 nan 8.150 nan 0.000 0.450 833 E N -1.381 118.871 120.200 0.086 0.000 2.035 833 E HA -0.270 4.070 4.350 -0.017 0.000 0.204 833 E C 2.317 178.994 176.600 0.129 0.000 1.025 833 E CA 2.137 58.618 56.400 0.136 0.000 0.835 833 E CB -0.553 29.200 29.700 0.089 0.000 0.764 833 E HN 0.791 nan 8.360 nan 0.000 0.457 834 T N -0.614 113.978 114.554 0.064 0.000 2.720 834 T HA -0.135 4.205 4.350 -0.017 0.000 0.268 834 T C 2.026 176.742 174.700 0.027 0.000 1.037 834 T CA 1.855 63.970 62.100 0.026 0.000 1.144 834 T CB -0.602 68.266 68.868 0.001 0.000 0.864 834 T HN 0.255 nan 8.240 nan 0.000 0.444 835 G N -0.596 108.233 108.800 0.049 0.000 2.422 835 G HA2 -0.187 3.763 3.960 -0.017 0.000 0.218 835 G HA3 -0.187 3.763 3.960 -0.017 0.000 0.218 835 G C 1.424 176.390 174.900 0.109 0.000 1.146 835 G CA 0.987 46.119 45.100 0.053 0.000 0.769 835 G HN 0.632 nan 8.290 nan 0.000 0.547 836 Y N 1.296 121.601 120.300 0.008 0.000 2.163 836 Y HA -0.042 4.498 4.550 -0.017 0.000 0.288 836 Y C 2.538 178.469 175.900 0.052 0.000 1.136 836 Y CA 0.315 58.429 58.100 0.025 0.000 1.147 836 Y CB -0.292 38.175 38.460 0.012 0.000 0.987 836 Y HN 0.080 nan 8.280 nan 0.000 0.509 837 I N 1.172 121.661 120.570 -0.134 0.000 2.143 837 I HA -0.417 3.743 4.170 -0.017 0.000 0.245 837 I C 2.533 178.559 176.117 -0.152 0.000 1.068 837 I CA 2.092 63.273 61.300 -0.199 0.000 1.326 837 I CB -1.534 36.418 38.000 -0.080 0.000 1.028 837 I HN 0.461 nan 8.210 nan 0.000 0.412 838 Q N 0.616 120.368 119.800 -0.080 0.000 1.993 838 Q HA -0.202 4.128 4.340 -0.017 0.000 0.202 838 Q C 2.433 178.412 176.000 -0.035 0.000 0.984 838 Q CA 1.464 57.229 55.803 -0.063 0.000 0.837 838 Q CB -0.198 28.513 28.738 -0.046 0.000 0.902 838 Q HN 0.294 nan 8.270 nan 0.000 0.423 839 R N -0.184 120.332 120.500 0.028 0.000 2.276 839 R HA -0.189 4.141 4.340 -0.017 0.000 0.243 839 R C 2.078 178.504 176.300 0.210 0.000 1.161 839 R CA 1.589 57.765 56.100 0.125 0.000 1.007 839 R CB 0.079 30.505 30.300 0.210 0.000 0.867 839 R HN 0.268 nan 8.270 nan 0.000 0.472 840 R N -0.534 120.026 120.500 0.101 0.000 2.055 840 R HA 0.046 4.376 4.340 -0.017 0.000 0.221 840 R C 2.319 178.521 176.300 -0.163 0.000 1.154 840 R CA 0.537 56.690 56.100 0.088 0.000 0.975 840 R CB -0.446 29.905 30.300 0.085 0.000 0.869 840 R HN 0.064 nan 8.270 nan 0.000 0.437 841 L N 0.630 121.764 121.223 -0.148 0.000 2.034 841 L HA -0.294 4.036 4.340 -0.017 0.000 0.217 841 L C 2.317 179.065 176.870 -0.202 0.000 1.077 841 L CA 1.437 56.166 54.840 -0.186 0.000 0.769 841 L CB -0.491 41.484 42.059 -0.139 0.000 0.890 841 L HN 0.074 nan 8.230 nan 0.000 0.435 842 V N -0.896 118.932 119.914 -0.144 0.000 2.295 842 V HA -0.257 3.853 4.120 -0.017 0.000 0.246 842 V C 2.468 178.463 176.094 -0.166 0.000 1.049 842 V CA 1.583 63.809 62.300 -0.124 0.000 1.024 842 V CB -0.484 31.300 31.823 -0.064 0.000 0.648 842 V HN 0.354 nan 8.190 nan 0.000 0.447 843 K N -0.286 119.997 120.400 -0.194 0.000 2.366 843 K HA 0.098 4.408 4.320 -0.017 0.000 0.198 843 K C 2.030 178.347 176.600 -0.473 0.000 1.044 843 K CA 1.118 57.250 56.287 -0.259 0.000 0.973 843 K CB -0.111 32.254 32.500 -0.226 0.000 0.767 843 K HN 0.483 nan 8.250 nan 0.000 0.475 844 A N 0.695 123.123 122.820 -0.654 0.000 1.861 844 A HA 0.012 4.322 4.320 -0.017 0.000 0.212 844 A C 2.143 179.401 177.584 -0.543 0.000 1.199 844 A CA 0.623 52.061 52.037 -0.998 0.000 0.613 844 A CB -0.306 17.928 19.000 -1.277 0.000 0.846 844 A HN 0.140 nan 8.150 nan 0.000 0.446 845 L N -1.889 119.117 121.223 -0.361 0.000 2.071 845 L HA 0.048 4.378 4.340 -0.017 0.000 0.201 845 L C 1.712 178.486 176.870 -0.160 0.000 1.076 845 L CA 1.214 55.919 54.840 -0.224 0.000 0.755 845 L CB -0.777 41.180 42.059 -0.169 0.000 0.915 845 L HN 0.593 nan 8.230 nan 0.000 0.445 846 E N 0.532 120.646 120.200 -0.142 0.000 3.383 846 E HA -0.376 3.964 4.350 -0.017 0.000 0.447 846 E C 0.602 177.156 176.600 -0.076 0.000 1.596 846 E CA 2.036 58.372 56.400 -0.106 0.000 1.229 846 E CB -1.080 28.549 29.700 -0.119 0.000 1.375 846 E HN 0.734 nan 8.360 nan 0.000 0.443 847 D N 1.328 121.689 120.400 -0.066 0.000 2.396 847 D HA -0.033 4.597 4.640 -0.017 0.000 0.255 847 D C 0.316 176.597 176.300 -0.031 0.000 1.224 847 D CA 0.260 54.233 54.000 -0.046 0.000 0.894 847 D CB -0.320 40.462 40.800 -0.030 0.000 0.939 847 D HN 0.144 nan 8.370 nan 0.000 0.506 848 I N 2.347 122.895 120.570 -0.037 0.000 2.260 848 I HA 0.150 4.310 4.170 -0.017 0.000 0.297 848 I C 0.553 176.668 176.117 -0.003 0.000 1.143 848 I CA -0.116 61.177 61.300 -0.011 0.000 1.271 848 I CB -0.198 37.786 38.000 -0.026 0.000 1.461 848 I HN 0.123 nan 8.210 nan 0.000 0.530 849 M N 4.761 124.350 119.600 -0.018 0.000 2.465 849 M HA 0.573 5.043 4.480 -0.017 0.000 0.316 849 M C -0.722 175.543 176.300 -0.058 0.000 1.121 849 M CA -0.873 54.383 55.300 -0.073 0.000 0.934 849 M CB 2.102 34.602 32.600 -0.167 0.000 1.692 849 M HN -0.058 nan 8.290 nan 0.000 0.444 850 V N 4.489 124.367 119.914 -0.061 0.000 2.409 850 V HA 0.037 4.147 4.120 -0.017 0.000 0.270 850 V C 0.842 176.875 176.094 -0.101 0.000 1.019 850 V CA 0.160 62.441 62.300 -0.032 0.000 1.066 850 V CB -1.458 30.312 31.823 -0.088 0.000 1.021 850 V HN 0.789 nan 8.190 nan 0.000 0.476 851 H N 3.320 122.351 119.070 -0.065 0.000 2.654 851 H HA 0.058 4.604 4.556 -0.016 0.000 0.376 851 H C 0.243 175.526 175.328 -0.075 0.000 1.503 851 H CA 0.327 56.342 56.048 -0.055 0.000 1.464 851 H CB 0.713 30.486 29.762 0.020 0.000 1.565 851 H HN 0.589 nan 8.280 nan 0.000 0.614 852 Y N 0.721 121.133 120.300 0.187 0.000 2.473 852 Y HA -0.068 4.472 4.550 -0.017 0.000 0.329 852 Y C 0.518 176.473 175.900 0.092 0.000 1.207 852 Y CA 0.148 58.316 58.100 0.112 0.000 1.266 852 Y CB 0.011 38.534 38.460 0.105 0.000 1.091 852 Y HN 0.482 nan 8.280 nan 0.000 0.501 853 D N -3.019 117.503 120.400 0.204 0.000 2.785 853 D HA 0.019 4.649 4.640 -0.017 0.000 0.324 853 D C 0.017 176.384 176.300 0.112 0.000 1.523 853 D CA -0.268 53.819 54.000 0.144 0.000 0.789 853 D CB -1.069 39.807 40.800 0.127 0.000 1.171 853 D HN 0.160 nan 8.370 nan 0.000 0.447 854 N N -0.197 118.556 118.700 0.088 0.000 2.717 854 N HA -0.187 4.543 4.740 -0.017 0.000 0.248 854 N C -0.508 175.061 175.510 0.099 0.000 1.099 854 N CA 1.505 54.599 53.050 0.073 0.000 0.843 854 N CB -1.024 37.502 38.487 0.064 0.000 1.155 854 N HN 0.383 nan 8.380 nan 0.000 0.580 855 T N 1.154 115.766 114.554 0.096 0.000 2.738 855 T HA 0.236 4.576 4.350 -0.017 0.000 0.298 855 T C 0.033 174.753 174.700 0.034 0.000 0.962 855 T CA -0.176 61.953 62.100 0.048 0.000 0.972 855 T CB 0.519 69.405 68.868 0.029 0.000 0.928 855 T HN 0.056 nan 8.240 nan 0.000 0.474 856 T N 7.604 122.166 114.554 0.012 0.000 2.784 856 T HA 0.335 4.675 4.350 -0.017 0.000 0.291 856 T C 0.299 174.988 174.700 -0.018 0.000 0.942 856 T CA -0.200 61.924 62.100 0.039 0.000 1.161 856 T CB 0.085 68.974 68.868 0.035 0.000 0.885 856 T HN 0.547 nan 8.240 nan 0.000 0.534 857 R N 2.332 122.878 120.500 0.077 0.000 2.867 857 R HA 0.432 4.762 4.340 -0.017 0.000 0.268 857 R C 0.379 176.717 176.300 0.064 0.000 1.014 857 R CA -1.056 55.052 56.100 0.014 0.000 0.946 857 R CB 1.774 32.007 30.300 -0.112 0.000 1.208 857 R HN 0.813 nan 8.270 nan 0.000 0.477 858 N N -1.315 117.394 118.700 0.014 0.000 2.531 858 N HA 0.069 4.799 4.740 -0.017 0.000 0.301 858 N C 0.564 176.110 175.510 0.059 0.000 1.310 858 N CA -0.509 52.554 53.050 0.022 0.000 0.949 858 N CB 0.464 38.945 38.487 -0.010 0.000 1.111 858 N HN 0.451 nan 8.380 nan 0.000 0.565 859 S N -0.625 115.097 115.700 0.036 0.000 2.453 859 S HA -0.006 4.455 4.470 -0.017 0.000 0.231 859 S C 1.780 176.399 174.600 0.033 0.000 1.005 859 S CA 0.400 58.627 58.200 0.044 0.000 0.949 859 S CB -0.515 62.702 63.200 0.028 0.000 0.774 859 S HN 0.463 nan 8.310 nan 0.000 0.510 860 L N 0.700 121.932 121.223 0.015 0.000 2.307 860 L HA 0.325 4.655 4.340 -0.017 0.000 0.211 860 L C 2.101 178.964 176.870 -0.012 0.000 1.099 860 L CA 0.764 55.608 54.840 0.006 0.000 0.816 860 L CB -0.362 41.700 42.059 0.006 0.000 0.952 860 L HN 0.562 nan 8.230 nan 0.000 0.455 861 G N -1.087 107.691 108.800 -0.037 0.000 2.201 861 G HA2 -0.233 3.717 3.960 -0.017 0.000 0.212 861 G HA3 -0.233 3.717 3.960 -0.017 0.000 0.212 861 G C 0.001 174.851 174.900 -0.083 0.000 0.994 861 G CA -0.402 44.648 45.100 -0.084 0.000 0.644 861 G HN 0.263 nan 8.290 nan 0.000 0.508 862 N N 1.326 119.992 118.700 -0.056 0.000 2.414 862 N HA 0.324 5.054 4.740 -0.017 0.000 0.268 862 N C 0.910 176.354 175.510 -0.111 0.000 1.286 862 N CA 0.340 53.354 53.050 -0.061 0.000 0.896 862 N CB 1.079 39.544 38.487 -0.037 0.000 1.093 862 N HN 0.319 nan 8.380 nan 0.000 0.480 863 V N 3.517 123.332 119.914 -0.164 0.000 2.999 863 V HA -0.000 4.110 4.120 -0.017 0.000 0.307 863 V C 1.573 177.502 176.094 -0.276 0.000 1.084 863 V CA 0.275 62.391 62.300 -0.307 0.000 1.155 863 V CB 0.554 32.013 31.823 -0.608 0.000 0.975 863 V HN 0.544 nan 8.190 nan 0.000 0.490 864 I N 0.387 120.785 120.570 -0.287 0.000 4.228 864 I HA 0.247 4.407 4.170 -0.017 0.000 0.298 864 I C 0.496 176.477 176.117 -0.226 0.000 1.206 864 I CA 0.588 61.770 61.300 -0.197 0.000 1.322 864 I CB -0.026 37.904 38.000 -0.117 0.000 1.411 864 I HN 0.593 nan 8.210 nan 0.000 0.454 865 Q N -0.195 119.448 119.800 -0.262 0.000 2.359 865 Q HA 0.417 4.747 4.340 -0.017 0.000 0.274 865 Q C -0.314 175.534 176.000 -0.254 0.000 1.074 865 Q CA -0.502 55.186 55.803 -0.191 0.000 0.810 865 Q CB 3.005 31.691 28.738 -0.087 0.000 1.342 865 Q HN -0.021 nan 8.270 nan 0.000 0.427 866 F N 0.624 120.586 119.950 0.021 0.000 2.335 866 F HA 0.153 4.670 4.527 -0.016 0.000 0.296 866 F C 0.760 176.586 175.800 0.043 0.000 1.091 866 F CA 0.648 58.665 58.000 0.028 0.000 1.399 866 F CB 0.619 39.630 39.000 0.019 0.000 1.067 866 F HN 0.347 nan 8.300 nan 0.000 0.520 867 I N -1.370 119.320 120.570 0.200 0.000 2.497 867 I HA 0.139 4.299 4.170 -0.017 0.000 0.284 867 I C -0.759 175.445 176.117 0.146 0.000 1.060 867 I CA -1.142 60.250 61.300 0.154 0.000 1.071 867 I CB 0.850 38.929 38.000 0.132 0.000 1.216 867 I HN -0.123 nan 8.210 nan 0.000 0.442 868 Y N 6.125 126.436 120.300 0.019 0.000 3.059 868 Y HA 0.044 4.584 4.550 -0.016 0.000 0.343 868 Y C 1.583 177.494 175.900 0.018 0.000 1.273 868 Y CA 1.409 59.510 58.100 0.002 0.000 1.572 868 Y CB 0.565 39.010 38.460 -0.025 0.000 1.228 868 Y HN 0.940 nan 8.280 nan 0.000 0.610 869 G N 4.785 113.201 108.800 -0.641 0.000 2.416 869 G HA2 -0.387 3.563 3.960 -0.017 0.000 0.301 869 G HA3 -0.387 3.563 3.960 -0.017 0.000 0.301 869 G C 0.295 175.204 174.900 0.015 0.000 0.985 869 G CA 0.746 45.669 45.100 -0.296 0.000 0.934 869 G HN 1.028 nan 8.290 nan 0.000 0.513 870 E N -1.184 119.035 120.200 0.031 0.000 2.670 870 E HA -0.310 4.030 4.350 -0.017 0.000 0.257 870 E C 0.936 177.566 176.600 0.050 0.000 1.186 870 E CA 1.222 57.658 56.400 0.060 0.000 0.734 870 E CB -0.523 29.215 29.700 0.063 0.000 1.325 870 E HN 0.944 nan 8.360 nan 0.000 0.426 871 D N -1.652 118.792 120.400 0.074 0.000 2.583 871 D HA 0.088 4.718 4.640 -0.017 0.000 0.282 871 D C 0.676 177.021 176.300 0.075 0.000 1.485 871 D CA 0.312 54.356 54.000 0.072 0.000 0.834 871 D CB -0.438 40.396 40.800 0.057 0.000 1.258 871 D HN 0.218 nan 8.370 nan 0.000 0.470 872 G N 1.672 110.547 108.800 0.125 0.000 2.334 872 G HA2 -0.151 3.799 3.960 -0.017 0.000 0.279 872 G HA3 -0.151 3.799 3.960 -0.017 0.000 0.279 872 G C -0.321 174.565 174.900 -0.023 0.000 0.918 872 G CA 1.052 46.208 45.100 0.092 0.000 1.314 872 G HN 0.478 nan 8.290 nan 0.000 0.463 873 M N 0.390 119.996 119.600 0.010 0.000 2.322 873 M HA 0.430 4.900 4.480 -0.017 0.000 0.285 873 M C -0.949 175.284 176.300 -0.113 0.000 1.119 873 M CA -0.766 54.467 55.300 -0.111 0.000 0.953 873 M CB 1.857 34.405 32.600 -0.087 0.000 1.701 873 M HN 0.164 nan 8.290 nan 0.000 0.479 874 D N 2.816 123.074 120.400 -0.237 0.000 2.348 874 D HA 0.539 5.169 4.640 -0.017 0.000 0.253 874 D C 0.964 177.143 176.300 -0.202 0.000 1.161 874 D CA 0.754 54.574 54.000 -0.300 0.000 0.876 874 D CB 1.540 42.051 40.800 -0.481 0.000 1.160 874 D HN 0.701 nan 8.370 nan 0.000 0.459 875 A N 4.055 126.820 122.820 -0.093 0.000 1.917 875 A HA -0.185 4.125 4.320 -0.017 0.000 0.219 875 A C 2.140 179.729 177.584 0.009 0.000 1.182 875 A CA 2.074 54.116 52.037 0.008 0.000 0.633 875 A CB -1.001 18.034 19.000 0.057 0.000 0.819 875 A HN 0.696 nan 8.150 nan 0.000 0.448 876 A N -1.044 121.730 122.820 -0.077 0.000 2.084 876 A HA -0.201 4.109 4.320 -0.017 0.000 0.221 876 A C 1.597 179.298 177.584 0.194 0.000 1.161 876 A CA 1.612 53.649 52.037 -0.001 0.000 0.653 876 A CB -0.928 18.042 19.000 -0.050 0.000 0.802 876 A HN 0.822 nan 8.150 nan 0.000 0.457 877 H N -1.911 117.175 119.070 0.026 0.000 2.505 877 H HA 0.442 4.988 4.556 -0.017 0.000 0.286 877 H C -0.360 175.001 175.328 0.055 0.000 1.072 877 H CA -0.689 55.377 56.048 0.030 0.000 1.141 877 H CB 0.263 30.005 29.762 -0.033 0.000 1.550 877 H HN 0.367 nan 8.280 nan 0.000 0.547 878 I N 1.058 121.746 120.570 0.197 0.000 2.648 878 I HA 0.285 4.445 4.170 -0.017 0.000 0.304 878 I C -0.294 175.951 176.117 0.214 0.000 1.009 878 I CA -0.657 60.746 61.300 0.172 0.000 1.114 878 I CB 2.191 40.282 38.000 0.151 0.000 1.293 878 I HN 0.165 nan 8.210 nan 0.000 0.449 879 E N 2.081 122.375 120.200 0.158 0.000 2.408 879 E HA 0.247 4.587 4.350 -0.017 0.000 0.275 879 E C -1.206 175.445 176.600 0.084 0.000 0.935 879 E CA -1.099 55.363 56.400 0.103 0.000 0.775 879 E CB 2.154 31.838 29.700 -0.027 0.000 1.277 879 E HN 0.309 nan 8.360 nan 0.000 0.455 880 K N 1.955 122.374 120.400 0.031 0.000 2.034 880 K HA 0.009 4.319 4.320 -0.017 0.000 0.225 880 K C -0.561 176.057 176.600 0.030 0.000 1.190 880 K CA 0.340 56.631 56.287 0.006 0.000 1.152 880 K CB -0.069 32.392 32.500 -0.065 0.000 1.300 880 K HN 0.301 nan 8.250 nan 0.000 0.268 881 Q N 0.960 120.815 119.800 0.092 0.000 2.235 881 Q HA 0.144 4.474 4.340 -0.017 0.000 0.250 881 Q C -0.609 175.469 176.000 0.130 0.000 0.909 881 Q CA -0.494 55.372 55.803 0.105 0.000 0.910 881 Q CB 1.402 30.221 28.738 0.134 0.000 1.223 881 Q HN 0.565 nan 8.270 nan 0.000 0.432 882 S N 2.956 118.720 115.700 0.106 0.000 2.543 882 S HA 0.332 4.792 4.470 -0.017 0.000 0.299 882 S C -0.125 174.557 174.600 0.136 0.000 1.125 882 S CA -0.690 57.578 58.200 0.114 0.000 1.098 882 S CB 0.006 63.253 63.200 0.078 0.000 1.063 882 S HN 0.544 nan 8.310 nan 0.000 0.493 883 L N 3.840 125.172 121.223 0.182 0.000 2.699 883 L HA 0.079 4.409 4.340 -0.017 0.000 0.283 883 L C 0.258 177.221 176.870 0.155 0.000 1.166 883 L CA -0.296 54.645 54.840 0.167 0.000 1.043 883 L CB -0.402 41.784 42.059 0.212 0.000 1.369 883 L HN 0.693 nan 8.230 nan 0.000 0.462 884 D N -0.848 119.630 120.400 0.130 0.000 2.690 884 D HA 0.001 4.631 4.640 -0.017 0.000 0.236 884 D C 0.978 177.352 176.300 0.125 0.000 1.218 884 D CA -0.226 53.852 54.000 0.131 0.000 0.829 884 D CB 0.204 41.076 40.800 0.119 0.000 1.009 884 D HN 0.304 nan 8.370 nan 0.000 0.482 885 T N -0.751 113.871 114.554 0.113 0.000 3.023 885 T HA 0.126 4.466 4.350 -0.017 0.000 0.249 885 T C 1.793 176.619 174.700 0.211 0.000 1.050 885 T CA -0.144 62.013 62.100 0.095 0.000 1.088 885 T CB 0.381 69.265 68.868 0.026 0.000 0.946 885 T HN 0.125 nan 8.240 nan 0.000 0.480 886 I N 1.993 122.692 120.570 0.215 0.000 2.054 886 I HA 0.038 4.198 4.170 -0.017 0.000 0.231 886 I C 1.953 178.259 176.117 0.315 0.000 1.052 886 I CA 1.032 62.497 61.300 0.275 0.000 1.320 886 I CB -1.611 36.557 38.000 0.280 0.000 1.063 886 I HN 0.231 nan 8.210 nan 0.000 0.393 887 G N -0.553 108.410 108.800 0.273 0.000 2.716 887 G HA2 0.395 4.345 3.960 -0.017 0.000 0.251 887 G HA3 0.395 4.345 3.960 -0.017 0.000 0.251 887 G C 0.246 175.285 174.900 0.231 0.000 1.224 887 G CA 0.526 45.790 45.100 0.274 0.000 0.891 887 G HN 0.865 nan 8.290 nan 0.000 0.561 888 G N -1.371 107.549 108.800 0.200 0.000 2.655 888 G HA2 0.152 4.102 3.960 -0.017 0.000 0.680 888 G HA3 0.152 4.102 3.960 -0.017 0.000 0.680 888 G C 0.050 175.041 174.900 0.151 0.000 1.302 888 G CA -0.030 45.167 45.100 0.161 0.000 0.872 888 G HN 1.223 nan 8.290 nan 0.000 0.540 889 S N -0.308 115.472 115.700 0.134 0.000 2.614 889 S HA 0.368 4.828 4.470 -0.017 0.000 0.265 889 S C 1.255 175.947 174.600 0.155 0.000 1.303 889 S CA 0.038 58.306 58.200 0.112 0.000 1.000 889 S CB 1.183 64.437 63.200 0.090 0.000 0.935 889 S HN 0.567 nan 8.310 nan 0.000 0.551 890 D N 1.340 121.795 120.400 0.092 0.000 2.178 890 D HA -0.076 4.554 4.640 -0.017 0.000 0.201 890 D C 1.728 178.115 176.300 0.146 0.000 0.980 890 D CA 1.126 55.171 54.000 0.075 0.000 0.842 890 D CB 0.005 40.805 40.800 0.000 0.000 0.948 890 D HN 0.538 nan 8.370 nan 0.000 0.472 891 A N 0.615 123.514 122.820 0.131 0.000 2.044 891 A HA 0.262 4.572 4.320 -0.017 0.000 0.213 891 A C 2.202 179.885 177.584 0.166 0.000 1.169 891 A CA 1.002 53.123 52.037 0.139 0.000 0.724 891 A CB -0.087 18.967 19.000 0.091 0.000 0.840 891 A HN 0.172 nan 8.150 nan 0.000 0.463 892 A N -1.271 121.643 122.820 0.157 0.000 2.067 892 A HA 0.016 4.326 4.320 -0.017 0.000 0.219 892 A C 1.895 179.593 177.584 0.191 0.000 1.158 892 A CA 1.223 53.342 52.037 0.137 0.000 0.661 892 A CB -0.659 18.406 19.000 0.107 0.000 0.801 892 A HN 0.606 nan 8.150 nan 0.000 0.452 893 F N 0.163 120.191 119.950 0.131 0.000 2.163 893 F HA -0.067 4.450 4.527 -0.017 0.000 0.297 893 F C 2.239 178.192 175.800 0.256 0.000 1.094 893 F CA 1.792 59.918 58.000 0.210 0.000 1.290 893 F CB 0.056 39.150 39.000 0.157 0.000 1.017 893 F HN 0.367 nan 8.300 nan 0.000 0.483 894 E N 0.552 121.063 120.200 0.518 0.000 2.028 894 E HA -0.246 4.094 4.350 -0.017 0.000 0.191 894 E C 1.484 178.253 176.600 0.282 0.000 0.988 894 E CA 0.960 57.608 56.400 0.413 0.000 0.799 894 E CB -0.167 29.682 29.700 0.249 0.000 0.755 894 E HN 0.155 nan 8.360 nan 0.000 0.447 895 K N 0.187 120.705 120.400 0.195 0.000 2.878 895 K HA -0.004 4.306 4.320 -0.017 0.000 0.242 895 K C 1.078 177.688 176.600 0.016 0.000 0.985 895 K CA 0.067 56.421 56.287 0.111 0.000 1.168 895 K CB 0.207 32.751 32.500 0.073 0.000 0.993 895 K HN -0.044 nan 8.250 nan 0.000 0.476 896 R N -1.380 119.120 120.500 -0.000 0.000 2.676 896 R HA 0.077 4.407 4.340 -0.017 0.000 0.241 896 R C 0.259 176.254 176.300 -0.508 0.000 0.964 896 R CA 0.453 56.395 56.100 -0.264 0.000 1.054 896 R CB 0.582 30.704 30.300 -0.296 0.000 1.603 896 R HN 0.206 nan 8.270 nan 0.000 0.577 897 Y N -0.630 119.703 120.300 0.055 0.000 2.524 897 Y HA 0.282 4.822 4.550 -0.017 0.000 0.276 897 Y C 0.471 176.556 175.900 0.308 0.000 1.155 897 Y CA -0.461 57.717 58.100 0.130 0.000 1.165 897 Y CB 0.610 39.091 38.460 0.034 0.000 1.306 897 Y HN -0.224 nan 8.280 nan 0.000 0.522 898 R N 1.874 122.654 120.500 0.467 0.000 2.442 898 R HA 0.372 4.702 4.340 -0.017 0.000 0.291 898 R C -1.369 174.965 176.300 0.057 0.000 1.069 898 R CA 0.141 56.296 56.100 0.091 0.000 1.022 898 R CB 0.363 30.505 30.300 -0.263 0.000 0.976 898 R HN -0.077 nan 8.270 nan 0.000 0.443 899 V N 5.130 125.057 119.914 0.021 0.000 2.326 899 V HA 0.211 4.321 4.120 -0.017 0.000 0.281 899 V C -0.650 175.424 176.094 -0.034 0.000 1.015 899 V CA -0.738 61.570 62.300 0.013 0.000 0.823 899 V CB 1.256 33.097 31.823 0.030 0.000 1.009 899 V HN 0.715 nan 8.190 nan 0.000 0.436 900 D N 4.118 124.500 120.400 -0.030 0.000 2.456 900 D HA 0.396 5.026 4.640 -0.017 0.000 0.219 900 D C 0.987 177.284 176.300 -0.005 0.000 1.126 900 D CA -0.110 53.864 54.000 -0.043 0.000 0.890 900 D CB 1.216 41.977 40.800 -0.066 0.000 1.025 900 D HN 0.363 nan 8.370 nan 0.000 0.511 901 L N 2.596 123.812 121.223 -0.011 0.000 1.955 901 L HA -0.124 4.206 4.340 -0.017 0.000 0.213 901 L C 0.927 177.794 176.870 -0.004 0.000 1.072 901 L CA 0.823 55.660 54.840 -0.006 0.000 0.755 901 L CB -0.645 41.409 42.059 -0.009 0.000 0.888 901 L HN 0.412 nan 8.230 nan 0.000 0.432 902 L N 1.123 122.340 121.223 -0.010 0.000 2.774 902 L HA 0.144 4.474 4.340 -0.017 0.000 0.279 902 L C -0.175 176.693 176.870 -0.003 0.000 1.137 902 L CA 0.454 55.288 54.840 -0.009 0.000 1.021 902 L CB -0.735 41.315 42.059 -0.014 0.000 1.366 902 L HN 0.311 nan 8.230 nan 0.000 0.471 903 N N 1.387 120.093 118.700 0.010 0.000 5.235 903 N HA -0.090 4.640 4.740 -0.017 0.000 0.135 903 N C 0.553 176.083 175.510 0.033 0.000 1.242 903 N CA 0.396 53.464 53.050 0.031 0.000 1.148 903 N CB 0.248 38.769 38.487 0.057 0.000 1.617 903 N HN 0.531 nan 8.380 nan 0.000 0.953 904 T N 0.376 114.939 114.554 0.015 0.000 2.620 904 T HA -0.197 4.143 4.350 -0.017 0.000 0.267 904 T C 1.026 175.720 174.700 -0.010 0.000 1.044 904 T CA 1.938 64.038 62.100 0.001 0.000 1.161 904 T CB -0.059 68.807 68.868 -0.005 0.000 0.862 904 T HN 0.440 nan 8.240 nan 0.000 0.438 905 D N 0.189 120.584 120.400 -0.007 0.000 2.144 905 D HA -0.066 4.564 4.640 -0.017 0.000 0.199 905 D C 1.282 177.488 176.300 -0.157 0.000 0.984 905 D CA 1.060 55.018 54.000 -0.071 0.000 0.834 905 D CB -0.242 40.529 40.800 -0.050 0.000 0.955 905 D HN 0.504 nan 8.370 nan 0.000 0.465 906 H N -0.209 118.846 119.070 -0.025 0.000 2.507 906 H HA 0.302 4.848 4.556 -0.017 0.000 0.281 906 H C -0.203 175.105 175.328 -0.032 0.000 1.160 906 H CA 0.095 56.125 56.048 -0.029 0.000 0.981 906 H CB 0.210 29.951 29.762 -0.036 0.000 1.665 906 H HN -0.056 nan 8.280 nan 0.000 0.554 907 T N 0.622 115.197 114.554 0.035 0.000 2.924 907 T HA 0.329 4.669 4.350 -0.017 0.000 0.291 907 T C 0.515 175.211 174.700 -0.007 0.000 1.045 907 T CA -0.849 61.261 62.100 0.016 0.000 1.015 907 T CB 2.130 71.003 68.868 0.008 0.000 1.103 907 T HN 0.130 nan 8.240 nan 0.000 0.496 908 L N 2.190 123.408 121.223 -0.008 0.000 2.615 908 L HA 0.044 4.374 4.340 -0.017 0.000 0.284 908 L C 0.773 177.630 176.870 -0.021 0.000 1.237 908 L CA -0.093 54.736 54.840 -0.018 0.000 0.905 908 L CB -0.043 42.005 42.059 -0.018 0.000 1.149 908 L HN 0.597 nan 8.230 nan 0.000 0.499 909 D N 4.939 125.324 120.400 -0.025 0.000 2.455 909 D HA 0.055 4.685 4.640 -0.017 0.000 0.241 909 D C -1.551 174.737 176.300 -0.020 0.000 1.138 909 D CA -1.638 52.348 54.000 -0.024 0.000 0.877 909 D CB 1.250 42.034 40.800 -0.026 0.000 1.187 909 D HN 0.234 nan 8.370 nan 0.000 0.451 910 P HA -0.068 nan 4.420 nan 0.000 0.234 910 P C 0.305 177.597 177.300 -0.014 0.000 1.162 910 P CA 0.717 63.807 63.100 -0.016 0.000 0.759 910 P CB 0.259 31.950 31.700 -0.014 0.000 0.813 911 S N -1.801 113.890 115.700 -0.014 0.000 2.664 911 S HA 0.288 4.749 4.470 -0.017 0.000 0.245 911 S C 0.821 175.415 174.600 -0.010 0.000 1.019 911 S CA -0.346 57.848 58.200 -0.011 0.000 0.996 911 S CB -0.508 62.686 63.200 -0.010 0.000 0.878 911 S HN -0.014 nan 8.310 nan 0.000 0.493 912 L N 0.027 121.241 121.223 -0.014 0.000 3.017 912 L HA 0.525 4.855 4.340 -0.017 0.000 0.265 912 L C -0.301 176.557 176.870 -0.020 0.000 1.128 912 L CA 0.011 54.841 54.840 -0.016 0.000 0.984 912 L CB 0.638 42.683 42.059 -0.023 0.000 1.464 912 L HN 0.264 nan 8.230 nan 0.000 0.556 913 L N 0.470 121.680 121.223 -0.022 0.000 2.388 913 L HA 0.291 4.622 4.340 -0.017 0.000 0.264 913 L C 0.856 177.712 176.870 -0.022 0.000 0.998 913 L CA 0.066 54.890 54.840 -0.027 0.000 0.817 913 L CB 2.333 44.373 42.059 -0.032 0.000 1.338 913 L HN 0.046 nan 8.230 nan 0.000 0.414 914 E N 0.587 120.772 120.200 -0.024 0.000 2.209 914 E HA -0.126 4.214 4.350 -0.017 0.000 0.196 914 E C 0.560 177.148 176.600 -0.019 0.000 0.993 914 E CA 1.320 57.708 56.400 -0.020 0.000 0.819 914 E CB 0.473 30.159 29.700 -0.022 0.000 0.745 914 E HN 0.626 nan 8.360 nan 0.000 0.477 915 S N -0.832 114.854 115.700 -0.022 0.000 2.601 915 S HA 0.197 4.657 4.470 -0.017 0.000 0.244 915 S C 1.337 175.926 174.600 -0.019 0.000 1.001 915 S CA 0.005 58.193 58.200 -0.020 0.000 0.984 915 S CB 1.114 64.301 63.200 -0.022 0.000 0.842 915 S HN 0.366 nan 8.310 nan 0.000 0.474 916 G N 3.295 112.083 108.800 -0.019 0.000 2.624 916 G HA2 -0.340 3.610 3.960 -0.017 0.000 0.221 916 G HA3 -0.340 3.610 3.960 -0.017 0.000 0.221 916 G C 1.546 176.436 174.900 -0.016 0.000 1.169 916 G CA 1.727 46.816 45.100 -0.018 0.000 0.771 916 G HN 0.736 nan 8.290 nan 0.000 0.598 917 S N 0.335 116.027 115.700 -0.014 0.000 2.503 917 S HA 0.115 4.575 4.470 -0.017 0.000 0.215 917 S C 1.735 176.328 174.600 -0.012 0.000 1.003 917 S CA 0.969 59.161 58.200 -0.013 0.000 0.910 917 S CB 0.250 63.443 63.200 -0.012 0.000 0.790 917 S HN 0.632 nan 8.310 nan 0.000 0.514 918 E N 0.601 120.793 120.200 -0.012 0.000 2.474 918 E HA 0.266 4.606 4.350 -0.017 0.000 0.195 918 E C 1.327 177.920 176.600 -0.012 0.000 1.039 918 E CA -0.001 56.392 56.400 -0.012 0.000 0.881 918 E CB -0.106 29.587 29.700 -0.011 0.000 0.970 918 E HN 0.410 nan 8.360 nan 0.000 0.486 919 I N 0.668 121.230 120.570 -0.013 0.000 2.810 919 I HA 0.109 4.269 4.170 -0.017 0.000 0.262 919 I C 1.093 177.203 176.117 -0.011 0.000 1.131 919 I CA -0.132 61.160 61.300 -0.013 0.000 1.453 919 I CB -0.691 37.299 38.000 -0.016 0.000 1.161 919 I HN 0.250 nan 8.210 nan 0.000 0.444 920 L N 2.203 123.420 121.223 -0.011 0.000 2.927 920 L HA -0.041 4.289 4.340 -0.017 0.000 0.292 920 L C 1.115 177.980 176.870 -0.008 0.000 1.088 920 L CA 1.145 55.980 54.840 -0.009 0.000 0.969 920 L CB -0.783 41.270 42.059 -0.009 0.000 1.399 920 L HN 0.605 nan 8.230 nan 0.000 0.458 921 G N 2.971 111.766 108.800 -0.008 0.000 2.709 921 G HA2 -0.222 3.728 3.960 -0.017 0.000 0.228 921 G HA3 -0.222 3.728 3.960 -0.017 0.000 0.228 921 G C -0.300 174.594 174.900 -0.010 0.000 1.215 921 G CA -0.077 45.017 45.100 -0.009 0.000 1.003 921 G HN 1.059 nan 8.290 nan 0.000 0.584 922 D N -1.142 119.252 120.400 -0.009 0.000 10.912 922 D HA -0.126 4.504 4.640 -0.017 0.000 0.354 922 D C 1.056 177.350 176.300 -0.009 0.000 3.124 922 D CA 1.306 55.300 54.000 -0.009 0.000 2.650 922 D CB -0.746 40.048 40.800 -0.010 0.000 1.178 922 D HN 0.763 nan 8.370 nan 0.000 0.937 923 L N 3.133 124.351 121.223 -0.009 0.000 2.379 923 L HA 0.087 4.417 4.340 -0.017 0.000 0.190 923 L C 2.574 179.439 176.870 -0.007 0.000 1.111 923 L CA 0.059 54.894 54.840 -0.008 0.000 0.820 923 L CB -0.402 41.653 42.059 -0.008 0.000 1.046 923 L HN 0.395 nan 8.230 nan 0.000 0.485 924 K N 0.707 121.103 120.400 -0.007 0.000 2.127 924 K HA -0.185 4.126 4.320 -0.017 0.000 0.208 924 K C 1.968 178.565 176.600 -0.005 0.000 1.047 924 K CA 1.390 57.674 56.287 -0.006 0.000 0.927 924 K CB -0.313 32.184 32.500 -0.006 0.000 0.716 924 K HN 0.274 nan 8.250 nan 0.000 0.450 925 L N 0.456 121.675 121.223 -0.006 0.000 2.209 925 L HA -0.077 4.253 4.340 -0.017 0.000 0.207 925 L C 2.448 179.317 176.870 -0.003 0.000 1.094 925 L CA 0.567 55.404 54.840 -0.005 0.000 0.790 925 L CB -0.303 41.751 42.059 -0.008 0.000 0.932 925 L HN 0.133 nan 8.230 nan 0.000 0.447 926 Q N -0.044 119.753 119.800 -0.005 0.000 2.378 926 Q HA -0.042 4.288 4.340 -0.017 0.000 0.205 926 Q C 2.226 178.224 176.000 -0.003 0.000 0.954 926 Q CA 0.782 56.581 55.803 -0.006 0.000 0.901 926 Q CB 0.054 28.784 28.738 -0.013 0.000 0.981 926 Q HN 0.304 nan 8.270 nan 0.000 0.483 927 V N 0.328 120.241 119.914 -0.001 0.000 2.913 927 V HA -0.141 3.970 4.120 -0.017 0.000 0.260 927 V C 1.744 177.842 176.094 0.008 0.000 1.098 927 V CA 1.061 63.362 62.300 0.002 0.000 1.121 927 V CB -0.098 31.725 31.823 -0.001 0.000 0.714 927 V HN 0.246 nan 8.190 nan 0.000 0.487 928 L N -1.313 119.916 121.223 0.010 0.000 2.766 928 L HA 0.210 4.540 4.340 -0.017 0.000 0.242 928 L C 1.649 178.537 176.870 0.030 0.000 1.136 928 L CA -0.070 54.779 54.840 0.016 0.000 0.933 928 L CB 0.546 42.610 42.059 0.008 0.000 1.241 928 L HN 0.219 nan 8.230 nan 0.000 0.522 929 L N 0.278 121.521 121.223 0.034 0.000 2.316 929 L HA 0.037 4.367 4.340 -0.017 0.000 0.207 929 L C 1.287 178.218 176.870 0.102 0.000 1.070 929 L CA 1.490 56.363 54.840 0.056 0.000 0.820 929 L CB -0.289 41.787 42.059 0.027 0.000 0.992 929 L HN 0.364 nan 8.230 nan 0.000 0.466 930 D N -1.914 118.530 120.400 0.073 0.000 2.319 930 D HA -0.101 4.529 4.640 -0.017 0.000 0.230 930 D C 1.560 177.918 176.300 0.096 0.000 1.094 930 D CA 0.155 54.227 54.000 0.119 0.000 0.856 930 D CB 0.248 41.083 40.800 0.059 0.000 0.915 930 D HN 0.160 nan 8.370 nan 0.000 0.517 931 E N 1.163 121.403 120.200 0.067 0.000 2.033 931 E HA -0.149 4.191 4.350 -0.017 0.000 0.189 931 E C 1.833 178.460 176.600 0.044 0.000 0.979 931 E CA 0.997 57.422 56.400 0.041 0.000 0.802 931 E CB -0.112 29.603 29.700 0.025 0.000 0.763 931 E HN 0.344 nan 8.360 nan 0.000 0.449 932 E N -1.142 119.097 120.200 0.065 0.000 2.107 932 E HA -0.188 4.152 4.350 -0.017 0.000 0.191 932 E C 1.821 178.469 176.600 0.080 0.000 0.982 932 E CA 0.692 57.128 56.400 0.060 0.000 0.809 932 E CB -0.184 29.562 29.700 0.077 0.000 0.756 932 E HN 0.401 nan 8.360 nan 0.000 0.459 933 Y N 1.199 121.515 120.300 0.027 0.000 2.314 933 Y HA -0.068 4.473 4.550 -0.017 0.000 0.293 933 Y C 2.298 178.210 175.900 0.019 0.000 1.129 933 Y CA 1.639 59.767 58.100 0.046 0.000 1.201 933 Y CB 0.170 38.667 38.460 0.062 0.000 0.999 933 Y HN -0.105 nan 8.280 nan 0.000 0.541 934 K N -0.174 120.283 120.400 0.094 0.000 2.031 934 K HA -0.223 4.087 4.320 -0.017 0.000 0.205 934 K C 2.140 178.694 176.600 -0.077 0.000 1.049 934 K CA 1.369 57.660 56.287 0.006 0.000 0.939 934 K CB -0.134 32.388 32.500 0.038 0.000 0.717 934 K HN 0.195 nan 8.250 nan 0.000 0.438 935 Q N 0.573 120.336 119.800 -0.061 0.000 2.368 935 Q HA -0.132 4.198 4.340 -0.017 0.000 0.210 935 Q C 1.522 177.443 176.000 -0.130 0.000 0.982 935 Q CA 0.968 56.719 55.803 -0.087 0.000 0.884 935 Q CB -0.004 28.693 28.738 -0.069 0.000 0.933 935 Q HN 0.286 nan 8.270 nan 0.000 0.460 936 L N -1.553 119.566 121.223 -0.172 0.000 2.416 936 L HA 0.110 4.440 4.340 -0.017 0.000 0.216 936 L C 1.481 178.222 176.870 -0.215 0.000 1.098 936 L CA 0.861 55.571 54.840 -0.217 0.000 0.840 936 L CB 0.151 42.037 42.059 -0.288 0.000 0.981 936 L HN 0.095 nan 8.230 nan 0.000 0.462 937 V N -0.755 118.996 119.914 -0.271 0.000 2.878 937 V HA -0.044 4.066 4.120 -0.017 0.000 0.250 937 V C 2.237 178.239 176.094 -0.154 0.000 1.075 937 V CA 0.797 62.936 62.300 -0.268 0.000 1.096 937 V CB -0.581 31.052 31.823 -0.316 0.000 0.724 937 V HN 0.302 nan 8.190 nan 0.000 0.467 938 K N 0.254 120.586 120.400 -0.114 0.000 2.439 938 K HA -0.084 4.226 4.320 -0.017 0.000 0.197 938 K C 1.353 177.931 176.600 -0.037 0.000 1.041 938 K CA 0.875 57.124 56.287 -0.063 0.000 0.970 938 K CB -0.098 32.367 32.500 -0.058 0.000 0.773 938 K HN 0.451 nan 8.250 nan 0.000 0.479 939 D N 0.790 121.144 120.400 -0.076 0.000 2.110 939 D HA -0.061 4.569 4.640 -0.017 0.000 0.202 939 D C 1.859 178.171 176.300 0.020 0.000 0.975 939 D CA 0.717 54.685 54.000 -0.053 0.000 0.839 939 D CB -0.106 40.628 40.800 -0.111 0.000 0.996 939 D HN 0.018 nan 8.370 nan 0.000 0.464 940 R N 0.570 121.057 120.500 -0.021 0.000 2.159 940 R HA -0.168 4.162 4.340 -0.017 0.000 0.237 940 R C 1.838 178.137 176.300 -0.002 0.000 1.131 940 R CA 1.137 57.239 56.100 0.003 0.000 0.982 940 R CB 0.098 30.361 30.300 -0.063 0.000 0.868 940 R HN -0.023 nan 8.270 nan 0.000 0.453 941 K N -0.204 120.186 120.400 -0.016 0.000 2.021 941 K HA -0.112 4.198 4.320 -0.017 0.000 0.205 941 K C 1.720 178.320 176.600 0.000 0.000 1.047 941 K CA 1.267 57.541 56.287 -0.021 0.000 0.943 941 K CB -0.525 31.955 32.500 -0.034 0.000 0.725 941 K HN 0.054 nan 8.250 nan 0.000 0.439 942 F N 1.096 120.980 119.950 -0.110 0.000 2.115 942 F HA -0.241 4.276 4.527 -0.017 0.000 0.300 942 F C 1.508 177.197 175.800 -0.185 0.000 1.092 942 F CA 1.604 59.520 58.000 -0.139 0.000 1.245 942 F CB -0.015 38.903 39.000 -0.137 0.000 0.995 942 F HN 0.008 nan 8.300 nan 0.000 0.481 943 L N -0.387 120.897 121.223 0.101 0.000 2.044 943 L HA -0.157 4.173 4.340 -0.017 0.000 0.205 943 L C 2.516 179.333 176.870 -0.089 0.000 1.075 943 L CA 1.236 56.054 54.840 -0.037 0.000 0.747 943 L CB -0.720 41.387 42.059 0.079 0.000 0.903 943 L HN -0.036 nan 8.230 nan 0.000 0.435 944 R N -0.089 120.422 120.500 0.019 0.000 2.303 944 R HA -0.178 4.152 4.340 -0.017 0.000 0.225 944 R C 1.955 178.233 176.300 -0.037 0.000 1.114 944 R CA 0.953 57.096 56.100 0.072 0.000 1.007 944 R CB -0.055 30.299 30.300 0.089 0.000 0.861 944 R HN 0.454 nan 8.270 nan 0.000 0.471 945 E N -0.454 119.640 120.200 -0.176 0.000 2.075 945 E HA -0.069 4.271 4.350 -0.017 0.000 0.190 945 E C 1.860 178.249 176.600 -0.351 0.000 0.969 945 E CA 0.505 56.747 56.400 -0.264 0.000 0.815 945 E CB 0.355 29.837 29.700 -0.363 0.000 0.776 945 E HN 0.013 nan 8.360 nan 0.000 0.457 946 V N 0.631 120.218 119.914 -0.545 0.000 2.307 946 V HA -0.162 3.948 4.120 -0.017 0.000 0.245 946 V C 0.704 176.500 176.094 -0.496 0.000 1.045 946 V CA 1.349 63.242 62.300 -0.678 0.000 1.024 946 V CB -0.298 30.891 31.823 -1.057 0.000 0.651 946 V HN 0.146 nan 8.190 nan 0.000 0.449 947 F N -0.613 119.219 119.950 -0.197 0.000 2.308 947 F HA 0.360 4.877 4.527 -0.017 0.000 0.370 947 F C 0.909 176.684 175.800 -0.042 0.000 1.100 947 F CA -0.598 57.328 58.000 -0.123 0.000 1.108 947 F CB 1.068 40.003 39.000 -0.109 0.000 1.293 947 F HN -0.218 nan 8.300 nan 0.000 0.478 948 V N 1.620 121.608 119.914 0.123 0.000 2.970 948 V HA -0.199 3.911 4.120 -0.017 0.000 0.260 948 V C 1.404 177.557 176.094 0.099 0.000 1.100 948 V CA 1.433 63.786 62.300 0.088 0.000 1.122 948 V CB -0.540 31.291 31.823 0.013 0.000 0.721 948 V HN 0.679 nan 8.190 nan 0.000 0.483 949 D N 1.169 121.634 120.400 0.108 0.000 2.103 949 D HA -0.069 4.561 4.640 -0.017 0.000 0.190 949 D C 1.874 178.098 176.300 -0.127 0.000 0.997 949 D CA 2.320 56.340 54.000 0.034 0.000 0.833 949 D CB -0.286 40.568 40.800 0.091 0.000 0.961 949 D HN 0.515 nan 8.370 nan 0.000 0.447 950 G N 0.170 108.914 108.800 -0.093 0.000 2.132 950 G HA2 -0.295 3.655 3.960 -0.017 0.000 0.234 950 G HA3 -0.295 3.655 3.960 -0.017 0.000 0.234 950 G C 0.018 174.749 174.900 -0.281 0.000 0.989 950 G CA 0.324 45.150 45.100 -0.455 0.000 0.676 950 G HN 0.372 nan 8.290 nan 0.000 0.522 951 E N 0.309 120.484 120.200 -0.042 0.000 2.259 951 E HA 0.725 5.065 4.350 -0.017 0.000 0.281 951 E C 1.365 178.080 176.600 0.192 0.000 1.037 951 E CA 0.645 57.045 56.400 -0.001 0.000 0.854 951 E CB 0.813 30.460 29.700 -0.089 0.000 1.051 951 E HN 0.558 nan 8.360 nan 0.000 0.409 952 A N 4.544 127.425 122.820 0.102 0.000 1.970 952 A HA -0.019 4.291 4.320 -0.017 0.000 0.216 952 A C 0.333 178.063 177.584 0.244 0.000 1.170 952 A CA 0.543 52.696 52.037 0.194 0.000 0.645 952 A CB -0.259 18.812 19.000 0.118 0.000 0.816 952 A HN 0.648 nan 8.150 nan 0.000 0.447 953 N N -0.700 117.982 118.700 -0.028 0.000 2.422 953 N HA 0.470 5.200 4.740 -0.017 0.000 0.264 953 N C -1.297 173.933 175.510 -0.467 0.000 1.063 953 N CA 0.223 53.188 53.050 -0.141 0.000 0.959 953 N CB 0.461 38.838 38.487 -0.183 0.000 1.087 953 N HN 0.506 nan 8.380 nan 0.000 0.483 954 W N 1.785 123.058 121.300 -0.045 0.000 3.213 954 W HA 0.340 4.990 4.660 -0.017 0.000 0.318 954 W C -2.441 174.107 176.519 0.048 0.000 1.248 954 W CA -1.909 55.423 57.345 -0.022 0.000 1.187 954 W CB 1.267 30.713 29.460 -0.023 0.000 1.403 954 W HN 0.316 nan 8.180 nan 0.000 0.556 955 P HA 0.179 nan 4.420 nan 0.000 0.264 955 P C -0.867 176.601 177.300 0.281 0.000 1.229 955 P CA 0.614 63.886 63.100 0.286 0.000 0.780 955 P CB 0.199 32.104 31.700 0.340 0.000 0.808 956 L N 6.652 128.016 121.223 0.234 0.000 2.470 956 L HA 0.468 4.798 4.340 -0.017 0.000 0.268 956 L C -2.500 174.497 176.870 0.211 0.000 0.964 956 L CA -2.555 52.431 54.840 0.244 0.000 0.839 956 L CB 2.956 45.186 42.059 0.285 0.000 1.276 956 L HN 0.113 nan 8.230 nan 0.000 0.403 957 P HA 0.226 nan 4.420 nan 0.000 0.274 957 P C -0.867 176.501 177.300 0.112 0.000 1.231 957 P CA -0.095 63.043 63.100 0.063 0.000 0.790 957 P CB 0.842 32.476 31.700 -0.110 0.000 0.951 958 V N 0.012 119.974 119.914 0.080 0.000 3.585 958 V HA -0.217 3.893 4.120 -0.017 0.000 0.489 958 V C 0.321 176.525 176.094 0.182 0.000 0.682 958 V CA 0.068 62.448 62.300 0.132 0.000 2.013 958 V CB -1.560 30.384 31.823 0.201 0.000 2.442 958 V HN 0.801 nan 8.190 nan 0.000 0.504 959 N N 4.056 122.807 118.700 0.085 0.000 2.448 959 N HA 0.341 5.071 4.740 -0.017 0.000 0.250 959 N C 0.667 176.190 175.510 0.021 0.000 1.136 959 N CA -0.117 52.964 53.050 0.051 0.000 0.953 959 N CB 0.764 39.248 38.487 -0.005 0.000 1.251 959 N HN 0.580 nan 8.380 nan 0.000 0.502 960 I N 2.748 123.335 120.570 0.029 0.000 2.142 960 I HA -0.215 3.945 4.170 -0.017 0.000 0.240 960 I C 2.354 178.422 176.117 -0.082 0.000 1.078 960 I CA 0.786 62.058 61.300 -0.047 0.000 1.343 960 I CB -0.283 37.675 38.000 -0.070 0.000 1.046 960 I HN 0.490 nan 8.210 nan 0.000 0.405 961 R N 1.047 121.517 120.500 -0.050 0.000 2.178 961 R HA -0.261 4.069 4.340 -0.017 0.000 0.257 961 R C 2.283 178.548 176.300 -0.058 0.000 1.163 961 R CA 2.032 58.102 56.100 -0.050 0.000 0.981 961 R CB -0.542 29.757 30.300 -0.002 0.000 0.878 961 R HN 0.333 nan 8.270 nan 0.000 0.454 962 R N -0.466 120.009 120.500 -0.041 0.000 2.066 962 R HA 0.119 4.449 4.340 -0.017 0.000 0.224 962 R C 2.281 178.571 176.300 -0.018 0.000 1.122 962 R CA 1.298 57.386 56.100 -0.020 0.000 0.974 962 R CB -0.167 30.129 30.300 -0.007 0.000 0.871 962 R HN 0.317 nan 8.270 nan 0.000 0.435 963 I N 1.273 121.812 120.570 -0.053 0.000 2.623 963 I HA -0.272 3.888 4.170 -0.017 0.000 0.261 963 I C 1.717 177.800 176.117 -0.058 0.000 1.204 963 I CA 0.569 61.817 61.300 -0.088 0.000 1.444 963 I CB -0.155 37.716 38.000 -0.215 0.000 1.094 963 I HN 0.255 nan 8.210 nan 0.000 0.451 964 I N 0.458 120.961 120.570 -0.111 0.000 2.286 964 I HA -0.217 3.944 4.170 -0.017 0.000 0.245 964 I C 2.402 178.477 176.117 -0.070 0.000 1.104 964 I CA 1.641 62.834 61.300 -0.177 0.000 1.397 964 I CB -0.883 36.880 38.000 -0.395 0.000 1.072 964 I HN 0.305 nan 8.210 nan 0.000 0.417 965 Q N -0.280 119.492 119.800 -0.047 0.000 2.331 965 Q HA -0.018 4.312 4.340 -0.017 0.000 0.203 965 Q C 1.933 177.861 176.000 -0.120 0.000 0.944 965 Q CA 0.542 56.307 55.803 -0.063 0.000 0.892 965 Q CB 0.057 28.754 28.738 -0.067 0.000 0.983 965 Q HN 0.428 nan 8.270 nan 0.000 0.482 966 N N 0.145 118.851 118.700 0.011 0.000 2.270 966 N HA -0.067 4.663 4.740 -0.017 0.000 0.181 966 N C 1.504 177.198 175.510 0.307 0.000 1.016 966 N CA 1.101 54.233 53.050 0.137 0.000 0.870 966 N CB 0.113 38.813 38.487 0.354 0.000 0.979 966 N HN 0.228 nan 8.380 nan 0.000 0.431 967 A N 1.660 124.751 122.820 0.451 0.000 1.841 967 A HA -0.149 4.161 4.320 -0.017 0.000 0.214 967 A C 1.540 179.325 177.584 0.336 0.000 1.195 967 A CA 1.013 53.386 52.037 0.560 0.000 0.611 967 A CB -0.624 18.639 19.000 0.438 0.000 0.835 967 A HN 0.506 nan 8.150 nan 0.000 0.443 968 Q N -0.450 119.452 119.800 0.171 0.000 2.639 968 Q HA 0.231 4.561 4.340 -0.017 0.000 0.301 968 Q C 0.219 176.236 176.000 0.027 0.000 1.029 968 Q CA 0.579 56.453 55.803 0.119 0.000 0.936 968 Q CB -0.116 28.685 28.738 0.105 0.000 1.354 968 Q HN 0.744 nan 8.270 nan 0.000 0.417 969 Q N -2.521 117.275 119.800 -0.007 0.000 1.671 969 Q HA 0.076 4.406 4.340 -0.017 0.000 0.177 969 Q C 0.599 176.521 176.000 -0.130 0.000 0.680 969 Q CA 0.543 56.278 55.803 -0.113 0.000 0.748 969 Q CB -0.344 28.235 28.738 -0.266 0.000 1.198 969 Q HN 0.146 nan 8.270 nan 0.000 0.387 970 T N 0.437 114.887 114.554 -0.174 0.000 2.732 970 T HA 0.111 4.451 4.350 -0.017 0.000 0.261 970 T C 0.308 174.750 174.700 -0.430 0.000 1.040 970 T CA 1.639 63.458 62.100 -0.469 0.000 1.145 970 T CB -0.201 68.041 68.868 -1.043 0.000 0.866 970 T HN 0.344 nan 8.240 nan 0.000 0.427 971 F N 1.157 121.103 119.950 -0.006 0.000 2.668 971 F HA 0.264 4.781 4.527 -0.016 0.000 0.297 971 F C 0.618 176.413 175.800 -0.008 0.000 1.124 971 F CA -1.348 56.640 58.000 -0.019 0.000 1.353 971 F CB -1.562 37.404 39.000 -0.057 0.000 0.992 971 F HN 0.324 nan 8.300 nan 0.000 0.524 972 H N -0.037 119.066 119.070 0.057 0.000 3.156 972 H HA -0.157 4.389 4.556 -0.016 0.000 0.213 972 H C 1.603 176.941 175.328 0.017 0.000 0.718 972 H CA 0.239 56.301 56.048 0.023 0.000 1.408 972 H CB -0.162 29.584 29.762 -0.026 0.000 1.459 972 H HN 0.560 nan 8.280 nan 0.000 0.464 973 I N 1.389 121.984 120.570 0.043 0.000 2.099 973 I HA -0.296 3.864 4.170 -0.017 0.000 0.239 973 I C 1.283 177.379 176.117 -0.036 0.000 1.066 973 I CA 1.987 63.286 61.300 -0.002 0.000 1.324 973 I CB 0.089 38.106 38.000 0.028 0.000 1.037 973 I HN 0.684 nan 8.210 nan 0.000 0.401 974 D N -1.711 118.626 120.400 -0.105 0.000 2.473 974 D HA 0.058 4.688 4.640 -0.017 0.000 0.230 974 D C 1.366 177.513 176.300 -0.255 0.000 1.097 974 D CA 0.161 54.012 54.000 -0.249 0.000 0.861 974 D CB 0.265 40.761 40.800 -0.507 0.000 1.114 974 D HN 0.408 nan 8.370 nan 0.000 0.500 975 H N 0.630 119.724 119.070 0.041 0.000 3.186 975 H HA 0.033 4.579 4.556 -0.017 0.000 0.134 975 H C 0.810 176.152 175.328 0.024 0.000 1.509 975 H CA 2.105 58.172 56.048 0.032 0.000 1.587 975 H CB -0.544 29.233 29.762 0.025 0.000 1.197 975 H HN 0.042 nan 8.280 nan 0.000 0.750 976 T N -0.797 113.844 114.554 0.146 0.000 4.146 976 T HA -0.167 4.173 4.350 -0.017 0.000 0.336 976 T C -0.276 174.496 174.700 0.119 0.000 0.762 976 T CA 0.845 63.025 62.100 0.133 0.000 1.914 976 T CB -1.513 67.411 68.868 0.093 0.000 1.897 976 T HN 0.390 nan 8.240 nan 0.000 0.862 977 K N 0.885 121.341 120.400 0.093 0.000 2.575 977 K HA 0.539 4.849 4.320 -0.017 0.000 0.255 977 K C -2.982 173.638 176.600 0.033 0.000 0.953 977 K CA -1.547 54.773 56.287 0.054 0.000 0.840 977 K CB 2.157 34.692 32.500 0.058 0.000 1.303 977 K HN 0.170 nan 8.250 nan 0.000 0.438 978 P HA 0.238 nan 4.420 nan 0.000 0.282 978 P C 0.085 177.384 177.300 -0.002 0.000 1.249 978 P CA -0.380 62.723 63.100 0.005 0.000 0.806 978 P CB 0.997 32.696 31.700 -0.002 0.000 0.984 979 S N 0.759 116.453 115.700 -0.009 0.000 2.612 979 S HA 0.085 4.546 4.470 -0.017 0.000 0.253 979 S C 0.360 174.943 174.600 -0.029 0.000 1.346 979 S CA 0.047 58.235 58.200 -0.020 0.000 0.976 979 S CB -0.152 63.028 63.200 -0.033 0.000 0.949 979 S HN 0.649 nan 8.310 nan 0.000 0.584 980 D N 0.982 121.359 120.400 -0.039 0.000 2.837 980 D HA 0.195 4.825 4.640 -0.017 0.000 0.340 980 D C -1.019 175.247 176.300 -0.057 0.000 1.451 980 D CA -0.203 53.773 54.000 -0.039 0.000 0.798 980 D CB -0.478 40.306 40.800 -0.027 0.000 1.169 980 D HN 0.251 nan 8.370 nan 0.000 0.449 981 L N 1.168 122.339 121.223 -0.086 0.000 2.325 981 L HA 0.348 4.678 4.340 -0.017 0.000 0.281 981 L C 0.498 177.303 176.870 -0.109 0.000 1.004 981 L CA -0.361 54.408 54.840 -0.119 0.000 0.823 981 L CB 1.986 43.913 42.059 -0.220 0.000 1.236 981 L HN -0.179 nan 8.230 nan 0.000 0.415 982 T N 2.351 116.856 114.554 -0.082 0.000 2.856 982 T HA 0.153 4.493 4.350 -0.017 0.000 0.306 982 T C 1.804 176.456 174.700 -0.079 0.000 1.062 982 T CA -0.546 61.514 62.100 -0.065 0.000 1.083 982 T CB 0.906 69.747 68.868 -0.044 0.000 0.984 982 T HN 0.320 nan 8.240 nan 0.000 0.542 983 I N 0.948 121.482 120.570 -0.060 0.000 2.502 983 I HA -0.144 4.016 4.170 -0.017 0.000 0.258 983 I C 2.153 178.242 176.117 -0.046 0.000 1.172 983 I CA 1.499 62.767 61.300 -0.053 0.000 1.430 983 I CB -1.075 36.906 38.000 -0.030 0.000 1.086 983 I HN 0.702 nan 8.210 nan 0.000 0.440 984 K N 0.422 120.798 120.400 -0.039 0.000 2.217 984 K HA -0.126 4.184 4.320 -0.017 0.000 0.202 984 K C 1.592 178.172 176.600 -0.032 0.000 1.051 984 K CA 0.866 57.136 56.287 -0.028 0.000 0.952 984 K CB 0.086 32.574 32.500 -0.019 0.000 0.736 984 K HN 0.318 nan 8.250 nan 0.000 0.453 985 D N 0.988 121.352 120.400 -0.059 0.000 2.084 985 D HA -0.117 4.513 4.640 -0.017 0.000 0.196 985 D C 1.948 178.190 176.300 -0.097 0.000 0.985 985 D CA 1.031 54.989 54.000 -0.070 0.000 0.826 985 D CB -0.150 40.587 40.800 -0.104 0.000 0.978 985 D HN 0.125 nan 8.370 nan 0.000 0.456 986 I N 0.732 121.179 120.570 -0.205 0.000 2.113 986 I HA -0.237 3.923 4.170 -0.017 0.000 0.238 986 I C 2.481 178.596 176.117 -0.004 0.000 1.070 986 I CA 0.854 62.016 61.300 -0.231 0.000 1.332 986 I CB -0.130 37.701 38.000 -0.282 0.000 1.044 986 I HN -0.123 nan 8.210 nan 0.000 0.402 987 V N 0.501 120.408 119.914 -0.012 0.000 2.283 987 V HA -0.238 3.872 4.120 -0.017 0.000 0.243 987 V C 2.078 178.186 176.094 0.024 0.000 1.039 987 V CA 1.377 63.688 62.300 0.019 0.000 1.016 987 V CB -0.485 31.346 31.823 0.013 0.000 0.650 987 V HN 0.385 nan 8.190 nan 0.000 0.449 988 L N 0.472 121.703 121.223 0.014 0.000 2.711 988 L HA 0.065 4.395 4.340 -0.017 0.000 0.242 988 L C 1.780 178.669 176.870 0.030 0.000 1.153 988 L CA 0.597 55.446 54.840 0.015 0.000 0.898 988 L CB -0.485 41.578 42.059 0.007 0.000 1.044 988 L HN 0.440 nan 8.230 nan 0.000 0.437 989 G N -1.629 107.206 108.800 0.059 0.000 2.692 989 G HA2 -0.057 3.893 3.960 -0.017 0.000 0.209 989 G HA3 -0.057 3.893 3.960 -0.017 0.000 0.209 989 G C 1.311 176.255 174.900 0.073 0.000 1.166 989 G CA 0.471 45.629 45.100 0.098 0.000 0.844 989 G HN 0.129 nan 8.290 nan 0.000 0.596 990 V N 1.433 121.399 119.914 0.086 0.000 2.287 990 V HA -0.158 3.952 4.120 -0.017 0.000 0.248 990 V C 2.593 178.678 176.094 -0.016 0.000 1.053 990 V CA 2.255 64.572 62.300 0.028 0.000 1.027 990 V CB -0.514 31.331 31.823 0.036 0.000 0.646 990 V HN 0.374 nan 8.190 nan 0.000 0.447 991 K N -0.284 120.112 120.400 -0.008 0.000 2.360 991 K HA -0.235 4.075 4.320 -0.017 0.000 0.201 991 K C 1.656 178.241 176.600 -0.024 0.000 1.046 991 K CA 1.628 57.901 56.287 -0.024 0.000 0.945 991 K CB -0.102 32.388 32.500 -0.016 0.000 0.750 991 K HN 0.538 nan 8.250 nan 0.000 0.464 992 D N -0.198 120.194 120.400 -0.013 0.000 2.277 992 D HA -0.082 4.548 4.640 -0.017 0.000 0.209 992 D C 1.703 177.987 176.300 -0.026 0.000 0.970 992 D CA 0.156 54.148 54.000 -0.014 0.000 0.874 992 D CB 0.178 40.977 40.800 -0.001 0.000 0.982 992 D HN 0.144 nan 8.370 nan 0.000 0.504 993 L N 0.934 122.136 121.223 -0.034 0.000 2.046 993 L HA -0.099 4.231 4.340 -0.017 0.000 0.208 993 L C 2.058 178.880 176.870 -0.080 0.000 1.077 993 L CA 1.846 56.651 54.840 -0.058 0.000 0.747 993 L CB -0.866 41.148 42.059 -0.075 0.000 0.896 993 L HN 0.024 nan 8.230 nan 0.000 0.432 994 Q N -0.750 119.001 119.800 -0.081 0.000 2.376 994 Q HA -0.208 4.122 4.340 -0.017 0.000 0.211 994 Q C 1.857 177.813 176.000 -0.073 0.000 0.986 994 Q CA 1.693 57.441 55.803 -0.092 0.000 0.886 994 Q CB 0.056 28.742 28.738 -0.087 0.000 0.927 994 Q HN 0.668 nan 8.270 nan 0.000 0.457 995 E N 0.018 120.186 120.200 -0.054 0.000 2.060 995 E HA -0.101 4.239 4.350 -0.017 0.000 0.189 995 E C 0.703 177.282 176.600 -0.035 0.000 0.974 995 E CA 1.197 57.574 56.400 -0.038 0.000 0.808 995 E CB -0.203 29.482 29.700 -0.026 0.000 0.768 995 E HN 0.667 nan 8.360 nan 0.000 0.453 996 N N 0.740 119.416 118.700 -0.039 0.000 2.451 996 N HA 0.156 4.886 4.740 -0.017 0.000 0.264 996 N C 1.288 176.775 175.510 -0.037 0.000 1.167 996 N CA -0.111 52.924 53.050 -0.025 0.000 0.898 996 N CB 0.290 38.769 38.487 -0.013 0.000 1.176 996 N HN 0.016 nan 8.380 nan 0.000 0.507 997 L N -0.181 120.987 121.223 -0.092 0.000 2.127 997 L HA 0.125 4.455 4.340 -0.017 0.000 0.203 997 L C 0.231 177.150 176.870 0.081 0.000 1.080 997 L CA 0.192 54.917 54.840 -0.192 0.000 0.768 997 L CB -0.055 41.624 42.059 -0.634 0.000 0.924 997 L HN 0.242 nan 8.230 nan 0.000 0.444 998 L N -0.436 120.838 121.223 0.085 0.000 1.435 998 L HA -0.216 4.114 4.340 -0.017 0.000 0.394 998 L C 0.525 177.544 176.870 0.248 0.000 1.004 998 L CA 0.276 55.201 54.840 0.141 0.000 1.225 998 L CB -0.941 41.174 42.059 0.093 0.000 0.571 998 L HN -0.045 nan 8.230 nan 0.000 0.324 999 V N 3.241 123.253 119.914 0.164 0.000 2.948 999 V HA 0.270 4.380 4.120 -0.017 0.000 0.234 999 V C 0.870 176.998 176.094 0.056 0.000 1.205 999 V CA 0.475 62.836 62.300 0.102 0.000 1.234 999 V CB 0.626 32.512 31.823 0.105 0.000 1.020 999 V HN 0.541 nan 8.190 nan 0.000 0.491 1000 L N 0.396 121.657 121.223 0.063 0.000 2.322 1000 L HA 0.599 4.929 4.340 -0.017 0.000 0.269 1000 L C -0.317 176.582 176.870 0.048 0.000 1.012 1000 L CA -0.530 54.343 54.840 0.054 0.000 0.815 1000 L CB 2.105 44.199 42.059 0.059 0.000 1.295 1000 L HN 0.194 nan 8.230 nan 0.000 0.438 1001 R N 0.119 120.646 120.500 0.044 0.000 2.854 1001 R HA 0.827 5.157 4.340 -0.017 0.000 0.271 1001 R C -0.463 175.858 176.300 0.033 0.000 0.996 1001 R CA -0.430 55.691 56.100 0.036 0.000 0.961 1001 R CB 2.090 32.410 30.300 0.033 0.000 1.182 1001 R HN 0.794 nan 8.270 nan 0.000 0.479 1002 G N 0.154 108.969 108.800 0.025 0.000 2.435 1002 G HA2 0.205 4.155 3.960 -0.017 0.000 0.228 1002 G HA3 0.205 4.155 3.960 -0.017 0.000 0.228 1002 G C -0.852 174.057 174.900 0.015 0.000 1.198 1002 G CA -0.346 44.768 45.100 0.022 0.000 0.948 1002 G HN 0.462 nan 8.290 nan 0.000 0.487 1003 K N -0.965 119.442 120.400 0.012 0.000 2.473 1003 K HA 0.097 4.407 4.320 -0.017 0.000 0.183 1003 K C 0.204 176.807 176.600 0.005 0.000 1.854 1003 K CA 0.447 56.739 56.287 0.008 0.000 1.084 1003 K CB 0.242 32.746 32.500 0.007 0.000 1.684 1003 K HN 0.651 nan 8.250 nan 0.000 0.565 1004 N N 0.045 118.749 118.700 0.006 0.000 2.513 1004 N HA 0.037 4.767 4.740 -0.017 0.000 0.274 1004 N C 0.677 176.187 175.510 -0.000 0.000 1.189 1004 N CA -0.275 52.777 53.050 0.003 0.000 0.975 1004 N CB 1.162 39.652 38.487 0.005 0.000 1.157 1004 N HN -0.135 nan 8.380 nan 0.000 0.465 1005 E N 0.722 120.919 120.200 -0.004 0.000 2.058 1005 E HA -0.135 4.205 4.350 -0.017 0.000 0.194 1005 E C 1.494 178.087 176.600 -0.012 0.000 0.997 1005 E CA 1.359 57.753 56.400 -0.009 0.000 0.801 1005 E CB -0.172 29.522 29.700 -0.011 0.000 0.746 1005 E HN 0.682 nan 8.360 nan 0.000 0.450 1006 I N 0.733 121.294 120.570 -0.015 0.000 2.208 1006 I HA -0.255 3.905 4.170 -0.017 0.000 0.245 1006 I C 2.130 178.235 176.117 -0.020 0.000 1.097 1006 I CA 1.032 62.318 61.300 -0.025 0.000 1.363 1006 I CB -1.052 36.929 38.000 -0.031 0.000 1.051 1006 I HN 0.199 nan 8.210 nan 0.000 0.413 1007 I N 0.643 121.210 120.570 -0.005 0.000 2.252 1007 I HA -0.214 3.946 4.170 -0.017 0.000 0.245 1007 I C 2.516 178.637 176.117 0.007 0.000 1.102 1007 I CA 1.175 62.479 61.300 0.008 0.000 1.385 1007 I CB -1.227 36.785 38.000 0.019 0.000 1.064 1007 I HN 0.331 nan 8.210 nan 0.000 0.414 1008 Q N 0.424 120.225 119.800 0.002 0.000 2.291 1008 Q HA -0.120 4.210 4.340 -0.017 0.000 0.206 1008 Q C 1.720 177.716 176.000 -0.007 0.000 0.976 1008 Q CA 0.982 56.785 55.803 -0.001 0.000 0.875 1008 Q CB -0.404 28.331 28.738 -0.004 0.000 0.927 1008 Q HN 0.657 nan 8.270 nan 0.000 0.450 1009 N N -0.030 118.663 118.700 -0.012 0.000 2.387 1009 N HA 0.047 4.777 4.740 -0.017 0.000 0.176 1009 N C 1.531 177.030 175.510 -0.018 0.000 1.022 1009 N CA 0.701 53.740 53.050 -0.019 0.000 0.883 1009 N CB 0.216 38.688 38.487 -0.025 0.000 1.019 1009 N HN 0.141 nan 8.380 nan 0.000 0.435 1010 A N 1.205 124.015 122.820 -0.017 0.000 2.119 1010 A HA -0.136 4.174 4.320 -0.017 0.000 0.217 1010 A C 2.149 179.742 177.584 0.014 0.000 1.153 1010 A CA 0.971 53.001 52.037 -0.011 0.000 0.692 1010 A CB -0.234 18.753 19.000 -0.021 0.000 0.799 1010 A HN 0.205 nan 8.150 nan 0.000 0.458 1011 Q N 0.638 120.447 119.800 0.016 0.000 1.941 1011 Q HA -0.138 4.192 4.340 -0.017 0.000 0.201 1011 Q C 2.122 178.135 176.000 0.021 0.000 0.982 1011 Q CA 2.077 57.897 55.803 0.028 0.000 0.839 1011 Q CB -0.426 28.327 28.738 0.024 0.000 0.904 1011 Q HN 0.591 nan 8.270 nan 0.000 0.427 1012 R N 0.280 120.781 120.500 0.001 0.000 2.112 1012 R HA -0.155 4.175 4.340 -0.017 0.000 0.242 1012 R C 0.847 177.138 176.300 -0.016 0.000 1.137 1012 R CA 1.541 57.631 56.100 -0.016 0.000 0.944 1012 R CB -0.677 29.603 30.300 -0.034 0.000 0.857 1012 R HN 0.397 nan 8.270 nan 0.000 0.435 1013 D N -0.669 119.726 120.400 -0.009 0.000 2.644 1013 D HA 0.074 4.704 4.640 -0.017 0.000 0.252 1013 D C 0.475 176.787 176.300 0.019 0.000 1.254 1013 D CA 0.428 54.428 54.000 0.000 0.000 0.884 1013 D CB 0.439 41.239 40.800 -0.001 0.000 1.034 1013 D HN 0.353 nan 8.370 nan 0.000 0.473 1014 A N -1.361 121.477 122.820 0.030 0.000 1.827 1014 A HA 0.052 4.362 4.320 -0.017 0.000 0.196 1014 A C 1.834 179.468 177.584 0.084 0.000 1.833 1014 A CA -0.100 51.970 52.037 0.055 0.000 1.363 1014 A CB 0.170 19.210 19.000 0.067 0.000 1.439 1014 A HN 0.135 nan 8.150 nan 0.000 0.391 1015 V N 1.122 121.087 119.914 0.086 0.000 2.270 1015 V HA -0.202 3.908 4.120 -0.017 0.000 0.245 1015 V C 2.495 178.639 176.094 0.084 0.000 1.043 1015 V CA 2.635 65.010 62.300 0.125 0.000 1.014 1015 V CB -1.884 29.978 31.823 0.065 0.000 0.645 1015 V HN 0.587 nan 8.190 nan 0.000 0.447 1016 T N 0.865 115.411 114.554 -0.013 0.000 2.575 1016 T HA -0.458 3.883 4.350 -0.017 0.000 0.228 1016 T C 1.699 176.328 174.700 -0.118 0.000 1.332 1016 T CA 2.715 64.740 62.100 -0.125 0.000 1.074 1016 T CB -0.981 67.784 68.868 -0.173 0.000 0.806 1016 T HN 0.363 nan 8.240 nan 0.000 0.475 1017 L N -0.508 120.701 121.223 -0.024 0.000 1.970 1017 L HA -0.056 4.274 4.340 -0.017 0.000 0.212 1017 L C 2.364 179.276 176.870 0.071 0.000 1.071 1017 L CA 1.930 56.776 54.840 0.010 0.000 0.751 1017 L CB -0.473 41.616 42.059 0.050 0.000 0.889 1017 L HN 0.241 nan 8.230 nan 0.000 0.432 1018 F N 0.215 120.166 119.950 0.003 0.000 2.063 1018 F HA -0.385 4.133 4.527 -0.016 0.000 0.298 1018 F C 2.558 178.330 175.800 -0.046 0.000 1.105 1018 F CA 1.889 59.901 58.000 0.020 0.000 1.215 1018 F CB -0.920 38.129 39.000 0.082 0.000 0.972 1018 F HN 0.200 nan 8.300 nan 0.000 0.483 1019 C N -0.130 119.086 119.300 -0.141 0.000 2.398 1019 C HA -0.271 4.179 4.460 -0.017 0.000 0.276 1019 C C 3.058 177.894 174.990 -0.256 0.000 1.222 1019 C CA 1.286 60.143 59.018 -0.268 0.000 1.746 1019 C CB -1.810 25.825 27.740 -0.176 0.000 2.039 1019 C HN 0.737 nan 8.230 nan 0.000 0.470 1020 C N 0.134 119.316 119.300 -0.196 0.000 2.403 1020 C HA -0.143 4.307 4.460 -0.017 0.000 0.279 1020 C C 2.470 177.380 174.990 -0.134 0.000 1.269 1020 C CA 1.097 60.014 59.018 -0.167 0.000 1.774 1020 C CB -1.722 25.930 27.740 -0.147 0.000 1.993 1020 C HN 0.696 nan 8.230 nan 0.000 0.496 1021 L N -0.034 121.101 121.223 -0.146 0.000 2.102 1021 L HA 0.056 4.386 4.340 -0.017 0.000 0.202 1021 L C 2.338 179.085 176.870 -0.206 0.000 1.076 1021 L CA 1.270 56.035 54.840 -0.127 0.000 0.761 1021 L CB -0.646 41.362 42.059 -0.085 0.000 0.921 1021 L HN 0.200 nan 8.230 nan 0.000 0.444 1022 L N 0.116 121.097 121.223 -0.403 0.000 1.971 1022 L HA -0.275 4.055 4.340 -0.017 0.000 0.215 1022 L C 2.727 179.474 176.870 -0.206 0.000 1.072 1022 L CA 1.976 56.569 54.840 -0.411 0.000 0.758 1022 L CB -0.547 41.144 42.059 -0.613 0.000 0.889 1022 L HN 0.228 nan 8.230 nan 0.000 0.433 1023 R N -0.787 119.601 120.500 -0.188 0.000 2.139 1023 R HA -0.154 4.176 4.340 -0.017 0.000 0.243 1023 R C 2.276 178.537 176.300 -0.066 0.000 1.145 1023 R CA 1.537 57.569 56.100 -0.114 0.000 0.976 1023 R CB -0.619 29.599 30.300 -0.137 0.000 0.866 1023 R HN 0.682 nan 8.270 nan 0.000 0.449 1024 S N -0.301 115.355 115.700 -0.073 0.000 2.501 1024 S HA 0.046 4.506 4.470 -0.017 0.000 0.220 1024 S C 1.729 176.431 174.600 0.170 0.000 0.997 1024 S CA 0.207 58.396 58.200 -0.019 0.000 0.919 1024 S CB 0.286 63.449 63.200 -0.061 0.000 0.778 1024 S HN 0.172 nan 8.310 nan 0.000 0.523 1025 R N 0.058 120.619 120.500 0.101 0.000 2.279 1025 R HA 0.470 4.800 4.340 -0.017 0.000 0.195 1025 R C 0.326 176.730 176.300 0.173 0.000 0.905 1025 R CA 0.183 56.377 56.100 0.157 0.000 1.044 1025 R CB 0.164 30.510 30.300 0.077 0.000 1.056 1025 R HN 0.316 nan 8.270 nan 0.000 0.535 1026 L N 1.407 122.692 121.223 0.104 0.000 2.865 1026 L HA 0.461 4.791 4.340 -0.017 0.000 0.233 1026 L C -0.411 176.563 176.870 0.174 0.000 1.320 1026 L CA -0.658 54.273 54.840 0.152 0.000 1.225 1026 L CB 0.581 42.687 42.059 0.079 0.000 1.542 1026 L HN 0.037 nan 8.230 nan 0.000 0.432 1027 A N -0.562 122.382 122.820 0.207 0.000 2.330 1027 A HA 0.517 4.827 4.320 -0.017 0.000 0.327 1027 A C 1.179 178.852 177.584 0.147 0.000 1.155 1027 A CA -0.406 51.756 52.037 0.210 0.000 0.803 1027 A CB 0.952 20.183 19.000 0.386 0.000 1.208 1027 A HN 0.419 nan 8.150 nan 0.000 0.477 1028 T N 1.688 116.310 114.554 0.114 0.000 2.653 1028 T HA -0.199 4.141 4.350 -0.017 0.000 0.268 1028 T C 2.062 176.773 174.700 0.018 0.000 1.035 1028 T CA 1.619 63.749 62.100 0.050 0.000 1.154 1028 T CB -0.229 68.661 68.868 0.038 0.000 0.862 1028 T HN 0.622 nan 8.240 nan 0.000 0.441 1029 R N 0.965 121.474 120.500 0.014 0.000 2.097 1029 R HA -0.033 4.297 4.340 -0.017 0.000 0.236 1029 R C 2.702 178.934 176.300 -0.113 0.000 1.135 1029 R CA 1.415 57.481 56.100 -0.056 0.000 0.934 1029 R CB -0.547 29.698 30.300 -0.093 0.000 0.846 1029 R HN 0.350 nan 8.270 nan 0.000 0.431 1030 R N 0.153 120.559 120.500 -0.156 0.000 2.082 1030 R HA -0.094 4.236 4.340 -0.017 0.000 0.234 1030 R C 2.255 178.500 176.300 -0.091 0.000 1.136 1030 R CA 1.452 57.424 56.100 -0.212 0.000 0.935 1030 R CB -1.062 29.146 30.300 -0.154 0.000 0.842 1030 R HN 0.124 nan 8.270 nan 0.000 0.430 1031 V N 1.347 121.317 119.914 0.094 0.000 2.982 1031 V HA -0.163 3.947 4.120 -0.017 0.000 0.265 1031 V C 1.613 177.754 176.094 0.078 0.000 1.122 1031 V CA 1.295 63.712 62.300 0.196 0.000 1.143 1031 V CB -0.431 31.502 31.823 0.184 0.000 0.726 1031 V HN 0.239 nan 8.190 nan 0.000 0.507 1032 L N -1.052 120.169 121.223 -0.004 0.000 3.291 1032 L HA 0.356 4.686 4.340 -0.017 0.000 0.307 1032 L C 0.911 177.751 176.870 -0.050 0.000 1.303 1032 L CA 0.238 55.064 54.840 -0.024 0.000 0.949 1032 L CB 0.563 42.600 42.059 -0.037 0.000 1.375 1032 L HN 0.184 nan 8.230 nan 0.000 0.596 1033 Q N -0.719 119.028 119.800 -0.088 0.000 2.303 1033 Q HA 0.071 4.401 4.340 -0.017 0.000 0.175 1033 Q C 1.155 177.072 176.000 -0.138 0.000 0.643 1033 Q CA -0.118 55.620 55.803 -0.109 0.000 0.871 1033 Q CB 0.707 29.364 28.738 -0.134 0.000 1.206 1033 Q HN 0.304 nan 8.270 nan 0.000 0.424 1034 E N 0.117 120.155 120.200 -0.270 0.000 2.030 1034 E HA -0.010 4.330 4.350 -0.017 0.000 0.189 1034 E C -0.093 176.379 176.600 -0.213 0.000 0.974 1034 E CA 0.745 56.947 56.400 -0.331 0.000 0.807 1034 E CB 0.028 29.361 29.700 -0.613 0.000 0.771 1034 E HN 0.310 nan 8.360 nan 0.000 0.451 1035 Y N 0.437 120.747 120.300 0.017 0.000 2.320 1035 Y HA 0.464 5.004 4.550 -0.016 0.000 0.334 1035 Y C 0.654 176.576 175.900 0.035 0.000 1.055 1035 Y CA -0.751 57.371 58.100 0.037 0.000 1.143 1035 Y CB 0.855 39.349 38.460 0.058 0.000 1.193 1035 Y HN -0.284 nan 8.280 nan 0.000 0.477 1036 R N 3.678 124.278 120.500 0.168 0.000 2.868 1036 R HA 0.311 4.641 4.340 -0.017 0.000 0.289 1036 R C -1.169 175.188 176.300 0.096 0.000 1.443 1036 R CA -0.511 55.647 56.100 0.096 0.000 1.651 1036 R CB 0.225 30.554 30.300 0.049 0.000 1.242 1036 R HN 0.625 nan 8.270 nan 0.000 0.621 1037 L N 0.707 122.012 121.223 0.136 0.000 2.479 1037 L HA 0.110 4.440 4.340 -0.017 0.000 0.270 1037 L C 1.342 178.243 176.870 0.052 0.000 1.236 1037 L CA 0.661 55.581 54.840 0.132 0.000 0.823 1037 L CB 0.372 42.597 42.059 0.277 0.000 1.098 1037 L HN 0.377 nan 8.230 nan 0.000 0.500 1038 T N -2.539 112.028 114.554 0.022 0.000 2.948 1038 T HA 0.371 4.711 4.350 -0.017 0.000 0.285 1038 T C 0.777 175.473 174.700 -0.007 0.000 1.019 1038 T CA -0.774 61.313 62.100 -0.022 0.000 1.013 1038 T CB 1.513 70.350 68.868 -0.052 0.000 1.117 1038 T HN 0.481 nan 8.240 nan 0.000 0.533 1039 K N 0.381 120.768 120.400 -0.023 0.000 2.020 1039 K HA -0.197 4.113 4.320 -0.017 0.000 0.212 1039 K C 2.425 179.040 176.600 0.024 0.000 1.050 1039 K CA 2.061 58.351 56.287 0.005 0.000 0.929 1039 K CB -0.545 31.949 32.500 -0.010 0.000 0.714 1039 K HN 0.741 nan 8.250 nan 0.000 0.443 1040 Q N -1.041 118.733 119.800 -0.043 0.000 2.084 1040 Q HA -0.082 4.248 4.340 -0.017 0.000 0.202 1040 Q C 1.846 177.725 176.000 -0.200 0.000 0.978 1040 Q CA 1.671 57.424 55.803 -0.083 0.000 0.844 1040 Q CB -0.203 28.477 28.738 -0.095 0.000 0.898 1040 Q HN 0.475 nan 8.270 nan 0.000 0.426 1041 A N -0.680 121.912 122.820 -0.379 0.000 2.016 1041 A HA -0.097 4.213 4.320 -0.017 0.000 0.217 1041 A C 1.694 179.259 177.584 -0.031 0.000 1.162 1041 A CA 0.570 52.245 52.037 -0.603 0.000 0.662 1041 A CB -0.514 18.051 19.000 -0.725 0.000 0.812 1041 A HN 0.528 nan 8.150 nan 0.000 0.450 1042 F N 0.792 120.690 119.950 -0.086 0.000 2.149 1042 F HA -0.064 4.453 4.527 -0.016 0.000 0.294 1042 F C 1.710 177.512 175.800 0.003 0.000 1.095 1042 F CA 1.584 59.572 58.000 -0.020 0.000 1.276 1042 F CB 0.035 39.019 39.000 -0.026 0.000 1.023 1042 F HN 0.185 nan 8.300 nan 0.000 0.480 1043 D N -0.646 119.864 120.400 0.184 0.000 2.265 1043 D HA -0.241 4.389 4.640 -0.017 0.000 0.208 1043 D C 1.670 178.022 176.300 0.088 0.000 0.977 1043 D CA 1.069 55.135 54.000 0.110 0.000 0.871 1043 D CB -0.463 40.403 40.800 0.111 0.000 0.925 1043 D HN 0.488 nan 8.370 nan 0.000 0.485 1044 W N 1.170 122.416 121.300 -0.090 0.000 2.452 1044 W HA -0.130 4.520 4.660 -0.017 0.000 0.313 1044 W C 2.158 178.623 176.519 -0.091 0.000 1.176 1044 W CA 0.692 58.006 57.345 -0.052 0.000 1.350 1044 W CB -0.675 28.788 29.460 0.005 0.000 1.148 1044 W HN -0.279 nan 8.180 nan 0.000 0.498 1045 V N 1.757 121.514 119.914 -0.262 0.000 2.453 1045 V HA -0.353 3.757 4.120 -0.017 0.000 0.252 1045 V C 2.348 178.145 176.094 -0.495 0.000 1.068 1045 V CA 2.015 64.004 62.300 -0.519 0.000 1.070 1045 V CB -1.052 30.507 31.823 -0.440 0.000 0.664 1045 V HN 0.271 nan 8.190 nan 0.000 0.461 1046 L N -0.809 120.155 121.223 -0.432 0.000 2.005 1046 L HA -0.130 4.200 4.340 -0.017 0.000 0.207 1046 L C 2.645 179.395 176.870 -0.201 0.000 1.072 1046 L CA 1.768 56.425 54.840 -0.306 0.000 0.744 1046 L CB -0.603 41.335 42.059 -0.202 0.000 0.895 1046 L HN 0.285 nan 8.230 nan 0.000 0.433 1047 S N -0.426 115.178 115.700 -0.160 0.000 2.368 1047 S HA -0.182 4.278 4.470 -0.017 0.000 0.225 1047 S C 1.759 176.258 174.600 -0.168 0.000 1.030 1047 S CA 1.307 59.443 58.200 -0.106 0.000 0.999 1047 S CB -0.378 62.810 63.200 -0.019 0.000 0.844 1047 S HN 0.409 nan 8.310 nan 0.000 0.459 1048 N N 0.643 119.135 118.700 -0.347 0.000 2.331 1048 N HA 0.039 4.769 4.740 -0.017 0.000 0.180 1048 N C 1.674 177.028 175.510 -0.260 0.000 1.019 1048 N CA 0.671 53.481 53.050 -0.400 0.000 0.881 1048 N CB -0.042 37.915 38.487 -0.884 0.000 0.972 1048 N HN 0.350 nan 8.380 nan 0.000 0.435 1049 I N 1.199 121.629 120.570 -0.232 0.000 2.163 1049 I HA -0.243 3.917 4.170 -0.017 0.000 0.240 1049 I C 2.496 178.618 176.117 0.009 0.000 1.081 1049 I CA 1.019 62.271 61.300 -0.081 0.000 1.353 1049 I CB -0.284 37.678 38.000 -0.064 0.000 1.054 1049 I HN 0.227 nan 8.210 nan 0.000 0.407 1050 E N 1.333 121.514 120.200 -0.031 0.000 2.065 1050 E HA -0.319 4.022 4.350 -0.017 0.000 0.201 1050 E C 2.193 178.824 176.600 0.051 0.000 1.016 1050 E CA 1.847 58.255 56.400 0.013 0.000 0.818 1050 E CB -0.125 29.562 29.700 -0.022 0.000 0.749 1050 E HN 0.483 nan 8.360 nan 0.000 0.453 1051 A N 0.723 123.540 122.820 -0.005 0.000 1.908 1051 A HA -0.237 4.073 4.320 -0.017 0.000 0.218 1051 A C 2.174 179.755 177.584 -0.005 0.000 1.181 1051 A CA 1.682 53.716 52.037 -0.006 0.000 0.627 1051 A CB -0.526 18.458 19.000 -0.027 0.000 0.818 1051 A HN 0.360 nan 8.150 nan 0.000 0.445 1052 Q N -2.085 117.708 119.800 -0.011 0.000 2.172 1052 Q HA -0.103 4.227 4.340 -0.017 0.000 0.200 1052 Q C 1.848 177.849 176.000 0.001 0.000 0.964 1052 Q CA 1.094 56.886 55.803 -0.019 0.000 0.855 1052 Q CB -0.230 28.495 28.738 -0.021 0.000 0.918 1052 Q HN 0.747 nan 8.270 nan 0.000 0.444 1053 F N 2.154 122.036 119.950 -0.113 0.000 2.053 1053 F HA -0.156 4.362 4.527 -0.016 0.000 0.292 1053 F C 1.995 177.719 175.800 -0.127 0.000 1.125 1053 F CA 1.017 58.918 58.000 -0.165 0.000 1.193 1053 F CB -0.289 38.602 39.000 -0.180 0.000 0.996 1053 F HN 0.002 nan 8.300 nan 0.000 0.470 1054 L N -0.279 120.981 121.223 0.062 0.000 2.642 1054 L HA -0.007 4.323 4.340 -0.017 0.000 0.236 1054 L C 1.527 178.333 176.870 -0.106 0.000 1.169 1054 L CA 1.140 55.955 54.840 -0.042 0.000 0.851 1054 L CB -1.358 40.725 42.059 0.040 0.000 0.968 1054 L HN 0.333 nan 8.230 nan 0.000 0.453 1055 R N 0.324 120.760 120.500 -0.106 0.000 2.156 1055 R HA 0.101 4.431 4.340 -0.017 0.000 0.207 1055 R C 1.756 178.024 176.300 -0.053 0.000 1.040 1055 R CA 0.732 56.780 56.100 -0.085 0.000 1.013 1055 R CB 0.066 30.312 30.300 -0.089 0.000 0.931 1055 R HN 0.347 nan 8.270 nan 0.000 0.465 1056 S N 1.160 116.785 115.700 -0.125 0.000 2.786 1056 S HA 0.062 4.522 4.470 -0.017 0.000 0.223 1056 S C 0.560 174.993 174.600 -0.277 0.000 0.956 1056 S CA -0.034 58.133 58.200 -0.056 0.000 0.961 1056 S CB -0.107 62.965 63.200 -0.213 0.000 0.784 1056 S HN -0.037 nan 8.310 nan 0.000 0.519 1057 V N 2.984 122.702 119.914 -0.328 0.000 2.740 1057 V HA 0.068 4.178 4.120 -0.017 0.000 0.303 1057 V C 0.643 176.503 176.094 -0.390 0.000 1.054 1057 V CA -0.723 61.358 62.300 -0.366 0.000 1.106 1057 V CB 0.663 32.279 31.823 -0.346 0.000 0.957 1057 V HN 0.343 nan 8.190 nan 0.000 0.486 1058 V N 3.088 122.804 119.914 -0.331 0.000 2.479 1058 V HA 0.204 4.314 4.120 -0.017 0.000 0.281 1058 V C 0.463 176.376 176.094 -0.301 0.000 1.031 1058 V CA -0.536 61.559 62.300 -0.342 0.000 1.038 1058 V CB -0.375 31.197 31.823 -0.418 0.000 0.981 1058 V HN 0.780 nan 8.190 nan 0.000 0.478 1059 H N 5.436 124.384 119.070 -0.203 0.000 2.899 1059 H HA 0.212 4.758 4.556 -0.016 0.000 0.303 1059 H C -2.313 172.887 175.328 -0.212 0.000 1.042 1059 H CA -1.413 54.541 56.048 -0.157 0.000 1.479 1059 H CB 1.027 30.721 29.762 -0.113 0.000 1.493 1059 H HN 0.541 nan 8.280 nan 0.000 0.534 1060 P HA 0.020 nan 4.420 nan 0.000 0.265 1060 P C 0.954 177.988 177.300 -0.443 0.000 1.222 1060 P CA 0.803 63.670 63.100 -0.389 0.000 0.767 1060 P CB 0.701 32.032 31.700 -0.615 0.000 0.801 1061 G N 2.562 111.167 108.800 -0.326 0.000 3.638 1061 G HA2 -0.155 3.795 3.960 -0.017 0.000 0.196 1061 G HA3 -0.155 3.795 3.960 -0.017 0.000 0.196 1061 G C -0.101 174.708 174.900 -0.153 0.000 1.315 1061 G CA -0.563 44.423 45.100 -0.190 0.000 0.944 1061 G HN 0.444 nan 8.290 nan 0.000 0.434 1062 E N 2.015 122.137 120.200 -0.131 0.000 3.311 1062 E HA -0.044 4.296 4.350 -0.017 0.000 0.264 1062 E C 0.315 176.843 176.600 -0.120 0.000 0.875 1062 E CA 0.790 57.113 56.400 -0.128 0.000 0.969 1062 E CB 0.035 29.633 29.700 -0.170 0.000 0.910 1062 E HN 0.312 nan 8.360 nan 0.000 0.548 1063 M N 4.874 124.419 119.600 -0.092 0.000 2.261 1063 M HA 0.066 4.536 4.480 -0.017 0.000 0.349 1063 M C 0.955 177.236 176.300 -0.032 0.000 1.305 1063 M CA -0.267 54.992 55.300 -0.069 0.000 1.240 1063 M CB 0.552 33.110 32.600 -0.070 0.000 1.394 1063 M HN 0.162 nan 8.290 nan 0.000 0.438 1064 V N 1.764 121.684 119.914 0.010 0.000 2.685 1064 V HA 0.039 4.149 4.120 -0.017 0.000 0.244 1064 V C 2.316 178.453 176.094 0.072 0.000 1.054 1064 V CA 1.604 63.964 62.300 0.100 0.000 1.076 1064 V CB -1.045 30.953 31.823 0.293 0.000 0.725 1064 V HN 0.902 nan 8.190 nan 0.000 0.467 1065 G N 1.386 110.202 108.800 0.026 0.000 2.624 1065 G HA2 -0.300 3.650 3.960 -0.017 0.000 0.221 1065 G HA3 -0.300 3.650 3.960 -0.017 0.000 0.221 1065 G C 1.595 176.463 174.900 -0.052 0.000 1.169 1065 G CA 2.014 47.098 45.100 -0.027 0.000 0.771 1065 G HN 0.394 nan 8.290 nan 0.000 0.598 1066 V N 0.647 120.530 119.914 -0.051 0.000 2.261 1066 V HA -0.108 4.002 4.120 -0.017 0.000 0.246 1066 V C 2.634 178.689 176.094 -0.066 0.000 1.047 1066 V CA 1.631 63.892 62.300 -0.064 0.000 1.015 1066 V CB -0.691 31.098 31.823 -0.056 0.000 0.642 1066 V HN 0.330 nan 8.190 nan 0.000 0.446 1067 L N 0.948 122.146 121.223 -0.042 0.000 2.265 1067 L HA -0.005 4.325 4.340 -0.017 0.000 0.215 1067 L C 2.315 179.096 176.870 -0.148 0.000 1.117 1067 L CA 1.949 56.748 54.840 -0.069 0.000 0.782 1067 L CB -0.896 41.168 42.059 0.009 0.000 0.914 1067 L HN 0.241 nan 8.230 nan 0.000 0.441 1068 A N -0.829 121.979 122.820 -0.020 0.000 2.066 1068 A HA 0.211 4.521 4.320 -0.017 0.000 0.218 1068 A C 1.923 179.440 177.584 -0.112 0.000 1.157 1068 A CA 1.009 53.054 52.037 0.013 0.000 0.670 1068 A CB -0.745 18.287 19.000 0.054 0.000 0.804 1068 A HN 0.527 nan 8.150 nan 0.000 0.453 1069 A N -0.243 122.499 122.820 -0.130 0.000 3.188 1069 A HA 0.288 4.598 4.320 -0.017 0.000 0.158 1069 A C 0.722 178.185 177.584 -0.201 0.000 1.832 1069 A CA 0.532 52.480 52.037 -0.148 0.000 1.046 1069 A CB -0.409 18.517 19.000 -0.124 0.000 1.770 1069 A HN 0.330 nan 8.150 nan 0.000 0.817 1070 Q N 0.271 119.974 119.800 -0.162 0.000 2.620 1070 Q HA 0.369 4.699 4.340 -0.017 0.000 0.333 1070 Q C 0.365 176.276 176.000 -0.148 0.000 1.017 1070 Q CA 0.435 56.160 55.803 -0.130 0.000 0.962 1070 Q CB 0.518 29.197 28.738 -0.098 0.000 1.297 1070 Q HN 0.452 nan 8.270 nan 0.000 0.419 1071 S N -0.887 114.703 115.700 -0.183 0.000 2.604 1071 S HA 0.208 4.668 4.470 -0.017 0.000 0.235 1071 S C 0.675 175.178 174.600 -0.162 0.000 1.043 1071 S CA -0.258 57.824 58.200 -0.196 0.000 0.997 1071 S CB 0.656 63.636 63.200 -0.366 0.000 0.956 1071 S HN 0.358 nan 8.310 nan 0.000 0.535 1072 I N 0.606 121.085 120.570 -0.151 0.000 3.744 1072 I HA -0.268 3.892 4.170 -0.017 0.000 0.213 1072 I C 1.819 177.860 176.117 -0.126 0.000 2.238 1072 I CA 1.773 62.987 61.300 -0.142 0.000 0.739 1072 I CB -1.979 35.931 38.000 -0.151 0.000 1.783 1072 I HN 0.351 nan 8.210 nan 0.000 0.488 1073 G N 0.930 109.655 108.800 -0.125 0.000 2.650 1073 G HA2 -0.107 3.843 3.960 -0.017 0.000 0.214 1073 G HA3 -0.107 3.843 3.960 -0.017 0.000 0.214 1073 G C 1.244 176.072 174.900 -0.121 0.000 1.136 1073 G CA 0.996 46.030 45.100 -0.110 0.000 0.789 1073 G HN 0.708 nan 8.290 nan 0.000 0.536 1074 E N 1.409 121.518 120.200 -0.152 0.000 2.004 1074 E HA -0.050 4.290 4.350 -0.017 0.000 0.192 1074 E C -0.024 176.483 176.600 -0.155 0.000 0.987 1074 E CA 0.950 57.228 56.400 -0.202 0.000 0.822 1074 E CB -0.667 28.855 29.700 -0.297 0.000 0.779 1074 E HN 0.259 nan 8.360 nan 0.000 0.458 1075 P HA -0.143 nan 4.420 nan 0.000 0.214 1075 P C 1.441 178.688 177.300 -0.089 0.000 1.163 1075 P CA 2.255 65.294 63.100 -0.102 0.000 0.883 1075 P CB -0.368 31.279 31.700 -0.087 0.000 0.788 1076 A N 0.129 122.898 122.820 -0.085 0.000 1.894 1076 A HA -0.281 4.029 4.320 -0.017 0.000 0.220 1076 A C 2.405 179.954 177.584 -0.058 0.000 1.237 1076 A CA 3.471 55.468 52.037 -0.067 0.000 0.660 1076 A CB -2.141 16.820 19.000 -0.065 0.000 0.835 1076 A HN 0.270 nan 8.150 nan 0.000 0.461 1077 T N -0.688 113.826 114.554 -0.066 0.000 2.652 1077 T HA -0.181 4.159 4.350 -0.017 0.000 0.267 1077 T C 2.018 176.684 174.700 -0.057 0.000 1.039 1077 T CA 1.571 63.637 62.100 -0.056 0.000 1.153 1077 T CB -0.237 68.589 68.868 -0.069 0.000 0.863 1077 T HN 0.468 nan 8.240 nan 0.000 0.428 1078 Q N -0.129 119.623 119.800 -0.080 0.000 2.389 1078 Q HA 0.197 4.527 4.340 -0.017 0.000 0.204 1078 Q C 1.756 177.714 176.000 -0.070 0.000 0.944 1078 Q CA 0.533 56.290 55.803 -0.077 0.000 0.908 1078 Q CB 0.033 28.711 28.738 -0.101 0.000 1.002 1078 Q HN 0.568 nan 8.270 nan 0.000 0.493 1079 M N -1.080 118.479 119.600 -0.068 0.000 2.371 1079 M HA 0.067 4.537 4.480 -0.017 0.000 0.246 1079 M C 1.311 177.582 176.300 -0.047 0.000 1.103 1079 M CA 0.166 55.426 55.300 -0.067 0.000 1.010 1079 M CB 0.482 33.040 32.600 -0.070 0.000 1.457 1079 M HN -0.069 nan 8.290 nan 0.000 0.486 1080 T N 0.613 115.147 114.554 -0.032 0.000 2.813 1080 T HA 0.124 4.464 4.350 -0.017 0.000 0.188 1080 T C 1.292 175.992 174.700 0.000 0.000 0.698 1080 T CA 0.056 62.152 62.100 -0.007 0.000 2.089 1080 T CB -0.094 68.776 68.868 0.004 0.000 2.834 1080 T HN 0.240 nan 8.240 nan 0.000 0.370 1081 L N 2.088 123.320 121.223 0.016 0.000 4.136 1081 L HA -0.288 4.042 4.340 -0.017 0.000 0.370 1081 L C 1.632 178.516 176.870 0.025 0.000 0.987 1081 L CA 2.474 57.328 54.840 0.024 0.000 0.830 1081 L CB -1.338 40.721 42.059 -0.001 0.000 1.185 1081 L HN 0.620 nan 8.230 nan 0.000 0.822 1082 N N -1.225 117.470 118.700 -0.009 0.000 2.166 1082 N HA -0.143 4.587 4.740 -0.017 0.000 0.186 1082 N C 1.759 177.197 175.510 -0.119 0.000 1.019 1082 N CA 2.108 55.126 53.050 -0.054 0.000 0.856 1082 N CB -0.006 38.419 38.487 -0.102 0.000 0.993 1082 N HN 0.829 nan 8.380 nan 0.000 0.426 1083 T N -2.872 111.677 114.554 -0.010 0.000 3.056 1083 T HA 0.099 4.439 4.350 -0.017 0.000 0.241 1083 T C 0.734 175.508 174.700 0.125 0.000 1.006 1083 T CA 0.326 62.520 62.100 0.158 0.000 1.115 1083 T CB -0.396 68.636 68.868 0.273 0.000 0.939 1083 T HN 0.158 nan 8.240 nan 0.000 0.462 1084 F N 3.261 123.188 119.950 -0.038 0.000 1.479 1084 F HA -0.231 4.286 4.527 -0.017 0.000 0.125 1084 F C 0.045 175.865 175.800 0.033 0.000 0.185 1084 F CA -0.209 57.771 58.000 -0.033 0.000 0.413 1084 F CB -1.369 37.615 39.000 -0.026 0.000 1.450 1084 F HN 0.669 nan 8.300 nan 0.000 0.634 1085 H N 3.899 122.292 119.070 -1.128 0.000 3.167 1085 H HA -0.025 4.521 4.556 -0.017 0.000 0.296 1085 H C 0.410 175.413 175.328 -0.541 0.000 0.939 1085 H CA 1.469 57.060 56.048 -0.762 0.000 1.335 1085 H CB -0.142 29.110 29.762 -0.850 0.000 1.198 1085 H HN 0.624 nan 8.280 nan 0.000 0.584 1086 F N -0.918 119.253 119.950 0.369 0.000 1.919 1086 F HA 0.373 4.890 4.527 -0.017 0.000 0.298 1086 F C 1.156 177.127 175.800 0.285 0.000 1.024 1086 F CA 0.201 58.484 58.000 0.472 0.000 1.207 1086 F CB -0.438 38.741 39.000 0.299 0.000 1.517 1086 F HN 0.543 nan 8.300 nan 0.000 0.549 1087 A N 0.322 123.525 122.820 0.638 0.000 1.791 1087 A HA 0.797 5.107 4.320 -0.017 0.000 0.177 1087 A C 0.893 178.615 177.584 0.229 0.000 1.851 1087 A CA 0.533 52.730 52.037 0.267 0.000 1.130 1087 A CB -0.320 18.839 19.000 0.265 0.000 0.958 1087 A HN 0.625 nan 8.150 nan 0.000 0.637 1088 G N -1.314 107.655 108.800 0.281 0.000 2.642 1088 G HA2 0.494 4.444 3.960 -0.017 0.000 0.293 1088 G HA3 0.494 4.444 3.960 -0.017 0.000 0.293 1088 G C 0.181 175.239 174.900 0.263 0.000 1.341 1088 G CA 0.477 45.705 45.100 0.212 0.000 0.916 1088 G HN 0.869 nan 8.290 nan 0.000 0.474 1089 V N -0.007 120.019 119.914 0.186 0.000 3.052 1089 V HA 0.333 4.443 4.120 -0.017 0.000 0.254 1089 V C 2.039 178.189 176.094 0.094 0.000 1.100 1089 V CA 2.491 64.863 62.300 0.119 0.000 1.112 1089 V CB 0.184 32.059 31.823 0.087 0.000 0.738 1089 V HN 0.938 nan 8.190 nan 0.000 0.469 1090 A N -0.194 122.685 122.820 0.098 0.000 2.127 1090 A HA 0.351 4.661 4.320 -0.017 0.000 0.204 1090 A C 1.430 179.057 177.584 0.072 0.000 1.243 1090 A CA 0.676 52.785 52.037 0.119 0.000 0.887 1090 A CB -0.151 18.926 19.000 0.129 0.000 0.933 1090 A HN 0.652 nan 8.150 nan 0.000 0.479 1091 S N 0.185 115.915 115.700 0.051 0.000 2.608 1091 S HA 0.429 4.889 4.470 -0.017 0.000 0.261 1091 S C 0.514 175.134 174.600 0.034 0.000 1.314 1091 S CA -0.218 58.001 58.200 0.033 0.000 0.992 1091 S CB 0.878 64.094 63.200 0.027 0.000 0.935 1091 S HN 0.358 nan 8.310 nan 0.000 0.564 1092 K N 0.624 121.040 120.400 0.026 0.000 1.931 1092 K HA -0.234 4.076 4.320 -0.017 0.000 0.126 1092 K C 0.876 177.486 176.600 0.017 0.000 1.372 1092 K CA 1.728 58.026 56.287 0.019 0.000 0.483 1092 K CB -1.373 31.134 32.500 0.012 0.000 0.562 1092 K HN 0.750 nan 8.250 nan 0.000 0.923 1093 K N -0.225 120.182 120.400 0.011 0.000 2.868 1093 K HA 0.147 4.457 4.320 -0.017 0.000 0.197 1093 K C 1.256 177.855 176.600 -0.002 0.000 1.543 1093 K CA 1.199 57.487 56.287 0.002 0.000 1.212 1093 K CB 0.666 33.162 32.500 -0.007 0.000 1.840 1093 K HN 0.323 nan 8.250 nan 0.000 0.571 1094 V N -0.474 119.439 119.914 -0.001 0.000 0.476 1094 V HA -0.349 3.761 4.120 -0.017 0.000 0.092 1094 V C 1.297 177.399 176.094 0.013 0.000 2.421 1094 V CA 2.708 65.011 62.300 0.005 0.000 3.656 1094 V CB -1.552 30.273 31.823 0.003 0.000 0.936 1094 V HN 0.607 nan 8.190 nan 0.000 0.982 1095 T N -2.753 111.811 114.554 0.016 0.000 2.958 1095 T HA 0.171 4.511 4.350 -0.017 0.000 0.256 1095 T C 1.474 176.186 174.700 0.020 0.000 0.983 1095 T CA 1.319 63.431 62.100 0.019 0.000 0.924 1095 T CB 0.749 69.629 68.868 0.020 0.000 1.136 1095 T HN 1.156 nan 8.240 nan 0.000 0.506 1096 S N 1.015 116.727 115.700 0.020 0.000 2.388 1096 S HA 0.570 5.030 4.470 -0.017 0.000 0.223 1096 S C 1.466 176.082 174.600 0.026 0.000 1.034 1096 S CA 0.843 59.057 58.200 0.022 0.000 0.963 1096 S CB -0.345 62.869 63.200 0.023 0.000 0.827 1096 S HN 1.098 nan 8.310 nan 0.000 0.481 1097 G N 0.155 108.970 108.800 0.024 0.000 2.579 1097 G HA2 0.108 4.058 3.960 -0.017 0.000 0.080 1097 G HA3 0.108 4.058 3.960 -0.017 0.000 0.080 1097 G C 0.455 175.362 174.900 0.012 0.000 1.040 1097 G CA -0.015 45.095 45.100 0.016 0.000 1.118 1097 G HN 0.555 nan 8.290 nan 0.000 0.485 1098 V N 3.123 123.043 119.914 0.009 0.000 2.515 1098 V HA 0.074 4.184 4.120 -0.017 0.000 0.250 1098 V C 0.076 176.184 176.094 0.022 0.000 1.058 1098 V CA 2.868 65.173 62.300 0.009 0.000 1.064 1098 V CB -0.598 31.229 31.823 0.006 0.000 0.675 1098 V HN 0.505 nan 8.190 nan 0.000 0.461 1099 P HA -0.103 nan 4.420 nan 0.000 0.229 1099 P C 1.584 178.910 177.300 0.042 0.000 1.160 1099 P CA 1.064 64.186 63.100 0.038 0.000 0.777 1099 P CB -0.175 31.546 31.700 0.035 0.000 0.814 1100 R N -0.440 120.083 120.500 0.038 0.000 2.073 1100 R HA -0.009 4.321 4.340 -0.017 0.000 0.229 1100 R C 2.313 178.642 176.300 0.049 0.000 1.120 1100 R CA 0.596 56.724 56.100 0.048 0.000 0.967 1100 R CB -0.955 29.371 30.300 0.043 0.000 0.862 1100 R HN 0.169 nan 8.270 nan 0.000 0.436 1101 L N 1.732 122.971 121.223 0.026 0.000 1.990 1101 L HA -0.270 4.060 4.340 -0.017 0.000 0.213 1101 L C 2.124 179.012 176.870 0.029 0.000 1.072 1101 L CA 1.953 56.799 54.840 0.010 0.000 0.755 1101 L CB -0.635 41.417 42.059 -0.012 0.000 0.889 1101 L HN 0.134 nan 8.230 nan 0.000 0.432 1102 K N -0.069 120.354 120.400 0.039 0.000 2.034 1102 K HA -0.263 4.047 4.320 -0.017 0.000 0.214 1102 K C 1.839 178.488 176.600 0.081 0.000 1.051 1102 K CA 2.285 58.606 56.287 0.057 0.000 0.931 1102 K CB -0.081 32.461 32.500 0.070 0.000 0.715 1102 K HN 0.439 nan 8.250 nan 0.000 0.446 1103 E N 0.196 120.449 120.200 0.089 0.000 2.068 1103 E HA -0.268 4.073 4.350 -0.017 0.000 0.207 1103 E C 2.053 178.760 176.600 0.179 0.000 1.032 1103 E CA 1.963 58.434 56.400 0.119 0.000 0.839 1103 E CB -0.297 29.474 29.700 0.118 0.000 0.758 1103 E HN 0.234 nan 8.360 nan 0.000 0.457 1104 I N 0.329 121.002 120.570 0.171 0.000 2.145 1104 I HA -0.289 3.871 4.170 -0.017 0.000 0.244 1104 I C 2.076 178.288 176.117 0.158 0.000 1.075 1104 I CA 1.385 62.788 61.300 0.172 0.000 1.332 1104 I CB -0.134 37.858 38.000 -0.014 0.000 1.033 1104 I HN 0.077 nan 8.210 nan 0.000 0.410 1105 L N -0.329 120.953 121.223 0.098 0.000 2.509 1105 L HA -0.001 4.329 4.340 -0.017 0.000 0.222 1105 L C 1.619 178.570 176.870 0.136 0.000 1.123 1105 L CA 0.861 55.754 54.840 0.088 0.000 0.856 1105 L CB -0.608 41.472 42.059 0.035 0.000 0.985 1105 L HN 0.195 nan 8.230 nan 0.000 0.456 1106 N N -1.014 117.775 118.700 0.148 0.000 2.424 1106 N HA 0.079 4.810 4.740 -0.017 0.000 0.178 1106 N C -0.202 175.395 175.510 0.146 0.000 1.060 1106 N CA 0.183 53.323 53.050 0.149 0.000 0.901 1106 N CB 0.495 39.061 38.487 0.131 0.000 0.979 1106 N HN -0.124 nan 8.380 nan 0.000 0.451 1107 V N 0.209 120.230 119.914 0.178 0.000 5.534 1107 V HA -0.207 3.903 4.120 -0.017 0.000 0.325 1107 V C -0.031 176.087 176.094 0.040 0.000 0.622 1107 V CA 0.045 62.423 62.300 0.131 0.000 1.198 1107 V CB -2.346 29.535 31.823 0.096 0.000 1.407 1107 V HN 0.365 nan 8.190 nan 0.000 0.477 1108 A N 4.950 127.785 122.820 0.025 0.000 2.671 1108 A HA 0.495 4.805 4.320 -0.017 0.000 0.306 1108 A C 1.359 178.897 177.584 -0.078 0.000 1.473 1108 A CA -0.209 51.825 52.037 -0.005 0.000 1.155 1108 A CB 0.228 19.252 19.000 0.041 0.000 1.123 1108 A HN 0.610 nan 8.150 nan 0.000 0.545 1109 K N 1.880 122.244 120.400 -0.060 0.000 2.007 1109 K HA -0.088 4.222 4.320 -0.017 0.000 0.206 1109 K C 0.219 176.785 176.600 -0.057 0.000 1.047 1109 K CA 1.185 57.428 56.287 -0.072 0.000 0.937 1109 K CB -0.354 32.113 32.500 -0.054 0.000 0.718 1109 K HN 0.769 nan 8.250 nan 0.000 0.438 1110 N N 1.707 120.387 118.700 -0.033 0.000 2.971 1110 N HA 0.056 4.787 4.740 -0.017 0.000 0.294 1110 N C -0.196 175.303 175.510 -0.018 0.000 1.210 1110 N CA -0.314 52.722 53.050 -0.023 0.000 1.157 1110 N CB -0.111 38.370 38.487 -0.010 0.000 1.450 1110 N HN 0.144 nan 8.380 nan 0.000 0.527 1111 M N 1.325 120.906 119.600 -0.032 0.000 2.252 1111 M HA -0.051 4.419 4.480 -0.017 0.000 0.333 1111 M C 1.382 177.678 176.300 -0.007 0.000 1.111 1111 M CA 0.334 55.619 55.300 -0.024 0.000 1.140 1111 M CB 0.867 33.439 32.600 -0.047 0.000 1.538 1111 M HN 0.211 nan 8.290 nan 0.000 0.448 1112 K N 1.562 121.967 120.400 0.009 0.000 1.974 1112 K HA 0.040 4.350 4.320 -0.017 0.000 0.211 1112 K C -0.282 176.321 176.600 0.006 0.000 1.039 1112 K CA 1.635 57.930 56.287 0.012 0.000 0.947 1112 K CB 0.174 32.688 32.500 0.023 0.000 0.735 1112 K HN 0.806 nan 8.250 nan 0.000 0.441 1113 T N 2.365 116.924 114.554 0.009 0.000 2.893 1113 T HA 0.393 4.733 4.350 -0.017 0.000 0.324 1113 T C -2.735 171.962 174.700 -0.004 0.000 1.082 1113 T CA -1.875 60.227 62.100 0.003 0.000 0.983 1113 T CB 1.477 70.351 68.868 0.010 0.000 1.005 1113 T HN 0.067 nan 8.240 nan 0.000 0.475 1114 P HA 0.420 nan 4.420 nan 0.000 0.288 1114 P C -0.630 176.651 177.300 -0.031 0.000 1.363 1114 P CA -0.322 62.760 63.100 -0.030 0.000 0.837 1114 P CB 0.849 32.526 31.700 -0.039 0.000 0.981 1115 S N 3.854 119.532 115.700 -0.037 0.000 2.473 1115 S HA 0.597 5.057 4.470 -0.017 0.000 0.307 1115 S C -0.862 173.698 174.600 -0.067 0.000 1.094 1115 S CA -0.641 57.538 58.200 -0.036 0.000 1.070 1115 S CB 0.301 63.491 63.200 -0.017 0.000 1.019 1115 S HN 0.249 nan 8.310 nan 0.000 0.480 1116 L N 4.823 126.015 121.223 -0.051 0.000 2.329 1116 L HA 0.688 5.018 4.340 -0.017 0.000 0.279 1116 L C -0.583 176.253 176.870 -0.056 0.000 1.014 1116 L CA 0.130 54.931 54.840 -0.065 0.000 0.814 1116 L CB 1.513 43.548 42.059 -0.040 0.000 1.257 1116 L HN 0.739 nan 8.230 nan 0.000 0.424 1117 T N 4.786 119.287 114.554 -0.088 0.000 2.892 1117 T HA 0.522 4.862 4.350 -0.017 0.000 0.311 1117 T C -0.309 174.284 174.700 -0.179 0.000 1.033 1117 T CA -0.524 61.501 62.100 -0.125 0.000 0.991 1117 T CB 0.938 69.722 68.868 -0.139 0.000 0.981 1117 T HN 0.491 nan 8.240 nan 0.000 0.457 1118 V N 1.318 121.136 119.914 -0.161 0.000 2.612 1118 V HA 0.718 4.829 4.120 -0.017 0.000 0.301 1118 V C -1.085 174.887 176.094 -0.203 0.000 1.046 1118 V CA -1.058 61.177 62.300 -0.108 0.000 0.946 1118 V CB 0.810 32.631 31.823 -0.003 0.000 1.003 1118 V HN 0.762 nan 8.190 nan 0.000 0.459 1119 Y N 2.261 122.597 120.300 0.060 0.000 2.409 1119 Y HA 0.662 5.202 4.550 -0.017 0.000 0.339 1119 Y C 0.075 176.017 175.900 0.071 0.000 1.033 1119 Y CA -0.924 57.210 58.100 0.057 0.000 1.094 1119 Y CB 2.008 40.486 38.460 0.030 0.000 1.210 1119 Y HN 0.566 nan 8.280 nan 0.000 0.456 1120 L N 2.126 123.520 121.223 0.284 0.000 2.467 1120 L HA 0.059 4.389 4.340 -0.017 0.000 0.270 1120 L C 0.380 177.347 176.870 0.162 0.000 1.205 1120 L CA 0.186 55.148 54.840 0.203 0.000 0.828 1120 L CB 0.287 42.475 42.059 0.215 0.000 1.101 1120 L HN 0.580 nan 8.230 nan 0.000 0.479 1121 E N 3.806 124.091 120.200 0.141 0.000 2.480 1121 E HA -0.068 4.272 4.350 -0.017 0.000 0.258 1121 E C -1.573 175.063 176.600 0.060 0.000 0.984 1121 E CA -0.945 55.514 56.400 0.099 0.000 0.930 1121 E CB 0.746 30.520 29.700 0.123 0.000 0.936 1121 E HN 0.354 nan 8.360 nan 0.000 0.466 1122 P HA -0.153 nan 4.420 nan 0.000 0.216 1122 P C 0.865 178.138 177.300 -0.046 0.000 1.153 1122 P CA 1.410 64.501 63.100 -0.015 0.000 0.858 1122 P CB 0.181 31.858 31.700 -0.038 0.000 0.789 1123 G N -2.307 106.412 108.800 -0.135 0.000 3.026 1123 G HA2 -0.077 3.873 3.960 -0.017 0.000 0.208 1123 G HA3 -0.077 3.873 3.960 -0.017 0.000 0.208 1123 G C 0.201 174.874 174.900 -0.379 0.000 1.169 1123 G CA 0.206 45.158 45.100 -0.247 0.000 0.788 1123 G HN 0.348 nan 8.290 nan 0.000 0.533 1124 H N -0.117 118.982 119.070 0.047 0.000 2.379 1124 H HA 0.444 4.990 4.556 -0.017 0.000 0.229 1124 H C 1.164 176.545 175.328 0.088 0.000 1.423 1124 H CA -0.420 55.664 56.048 0.061 0.000 1.375 1124 H CB 0.731 30.526 29.762 0.055 0.000 1.592 1124 H HN 0.163 nan 8.280 nan 0.000 0.507 1125 A N 1.252 124.174 122.820 0.169 0.000 1.930 1125 A HA 0.179 4.490 4.320 -0.017 0.000 0.217 1125 A C 1.683 179.397 177.584 0.216 0.000 1.175 1125 A CA 1.683 53.812 52.037 0.153 0.000 0.627 1125 A CB 0.246 19.302 19.000 0.093 0.000 0.815 1125 A HN 0.521 nan 8.150 nan 0.000 0.443 1126 A N -1.235 121.728 122.820 0.238 0.000 2.502 1126 A HA 0.368 4.678 4.320 -0.017 0.000 0.253 1126 A C -0.286 177.472 177.584 0.289 0.000 0.938 1126 A CA -0.034 52.225 52.037 0.370 0.000 1.086 1126 A CB -0.349 18.827 19.000 0.294 0.000 1.176 1126 A HN 0.219 nan 8.150 nan 0.000 0.499 1127 D N 3.018 123.533 120.400 0.192 0.000 2.659 1127 D HA 0.097 4.727 4.640 -0.017 0.000 0.275 1127 D C 0.340 176.687 176.300 0.077 0.000 1.407 1127 D CA 1.040 55.110 54.000 0.118 0.000 1.033 1127 D CB 0.193 41.035 40.800 0.070 0.000 1.139 1127 D HN 0.342 nan 8.370 nan 0.000 0.565 1128 Q N 3.239 123.093 119.800 0.089 0.000 2.388 1128 Q HA -0.277 4.053 4.340 -0.017 0.000 0.346 1128 Q C -0.440 175.562 176.000 0.003 0.000 1.319 1128 Q CA 0.941 56.778 55.803 0.057 0.000 1.023 1128 Q CB -1.407 27.346 28.738 0.026 0.000 1.247 1128 Q HN 0.716 nan 8.270 nan 0.000 0.411 1129 E N -1.387 118.811 120.200 -0.002 0.000 2.252 1129 E HA -0.274 4.066 4.350 -0.017 0.000 0.199 1129 E C 0.668 177.177 176.600 -0.152 0.000 1.352 1129 E CA 1.111 57.386 56.400 -0.208 0.000 0.682 1129 E CB -1.662 27.860 29.700 -0.297 0.000 1.142 1129 E HN 0.813 nan 8.360 nan 0.000 0.367 1130 Q N 0.155 119.917 119.800 -0.062 0.000 2.224 1130 Q HA -0.053 4.277 4.340 -0.017 0.000 0.203 1130 Q C 2.120 178.080 176.000 -0.066 0.000 0.970 1130 Q CA 1.320 57.094 55.803 -0.048 0.000 0.865 1130 Q CB 0.031 28.767 28.738 -0.003 0.000 0.922 1130 Q HN 0.525 nan 8.270 nan 0.000 0.445 1131 A N 1.576 124.338 122.820 -0.097 0.000 1.915 1131 A HA -0.296 4.014 4.320 -0.017 0.000 0.220 1131 A C 1.893 179.405 177.584 -0.121 0.000 1.198 1131 A CA 2.107 54.083 52.037 -0.101 0.000 0.647 1131 A CB -0.521 18.363 19.000 -0.194 0.000 0.825 1131 A HN 0.385 nan 8.150 nan 0.000 0.456 1132 K N -0.893 119.402 120.400 -0.176 0.000 2.360 1132 K HA 0.011 4.322 4.320 -0.017 0.000 0.201 1132 K C 1.566 178.104 176.600 -0.103 0.000 1.046 1132 K CA 1.066 57.258 56.287 -0.160 0.000 0.945 1132 K CB -0.259 32.129 32.500 -0.187 0.000 0.750 1132 K HN 0.482 nan 8.250 nan 0.000 0.464 1133 L N 0.090 121.264 121.223 -0.083 0.000 2.307 1133 L HA -0.013 4.317 4.340 -0.017 0.000 0.211 1133 L C 1.924 178.771 176.870 -0.038 0.000 1.099 1133 L CA 0.677 55.482 54.840 -0.058 0.000 0.816 1133 L CB -0.024 42.001 42.059 -0.057 0.000 0.952 1133 L HN 0.096 nan 8.230 nan 0.000 0.455 1134 I N -1.061 119.491 120.570 -0.030 0.000 2.277 1134 I HA -0.180 3.980 4.170 -0.017 0.000 0.243 1134 I C 2.644 178.759 176.117 -0.004 0.000 1.094 1134 I CA 0.659 61.956 61.300 -0.005 0.000 1.393 1134 I CB -0.296 37.713 38.000 0.015 0.000 1.078 1134 I HN 0.108 nan 8.210 nan 0.000 0.417 1135 R N 1.393 121.883 120.500 -0.017 0.000 2.159 1135 R HA -0.267 4.063 4.340 -0.017 0.000 0.249 1135 R C 2.345 178.642 176.300 -0.004 0.000 1.136 1135 R CA 2.453 58.547 56.100 -0.011 0.000 0.951 1135 R CB -0.360 29.906 30.300 -0.056 0.000 0.876 1135 R HN 0.509 nan 8.270 nan 0.000 0.440 1136 S N -1.516 114.170 115.700 -0.023 0.000 2.603 1136 S HA 0.064 4.524 4.470 -0.017 0.000 0.229 1136 S C 1.127 175.719 174.600 -0.013 0.000 0.972 1136 S CA 0.630 58.817 58.200 -0.021 0.000 0.935 1136 S CB 0.680 63.858 63.200 -0.036 0.000 0.769 1136 S HN 0.436 nan 8.310 nan 0.000 0.536 1137 A N -0.052 122.765 122.820 -0.004 0.000 2.585 1137 A HA 0.560 4.870 4.320 -0.017 0.000 0.266 1137 A C 1.288 178.882 177.584 0.017 0.000 1.178 1137 A CA -0.310 51.729 52.037 0.002 0.000 0.966 1137 A CB 0.204 19.205 19.000 0.001 0.000 1.170 1137 A HN 0.461 nan 8.150 nan 0.000 0.558 1138 I N -0.575 120.009 120.570 0.024 0.000 3.366 1138 I HA 0.116 4.276 4.170 -0.017 0.000 0.267 1138 I C 0.918 177.069 176.117 0.057 0.000 1.149 1138 I CA 0.481 61.804 61.300 0.039 0.000 1.436 1138 I CB -0.817 37.206 38.000 0.038 0.000 1.379 1138 I HN 0.411 nan 8.210 nan 0.000 0.460 1139 E N 2.261 122.493 120.200 0.054 0.000 2.491 1139 E HA -0.159 4.181 4.350 -0.017 0.000 0.250 1139 E C -0.239 176.405 176.600 0.073 0.000 1.061 1139 E CA 0.159 56.602 56.400 0.070 0.000 0.942 1139 E CB -0.059 29.682 29.700 0.068 0.000 0.957 1139 E HN 0.169 nan 8.360 nan 0.000 0.480 1140 H N 3.355 122.431 119.070 0.010 0.000 3.017 1140 H HA 0.088 4.635 4.556 -0.016 0.000 0.276 1140 H C -0.969 174.363 175.328 0.007 0.000 1.062 1140 H CA 0.162 56.214 56.048 0.006 0.000 1.486 1140 H CB 0.418 30.182 29.762 0.003 0.000 1.507 1140 H HN 0.243 nan 8.280 nan 0.000 0.508 1141 T N 5.441 119.834 114.554 -0.269 0.000 2.788 1141 T HA 0.235 4.576 4.350 -0.017 0.000 0.296 1141 T C -0.005 174.553 174.700 -0.238 0.000 1.009 1141 T CA -0.899 61.105 62.100 -0.160 0.000 0.949 1141 T CB 0.643 69.459 68.868 -0.087 0.000 0.946 1141 T HN 0.687 nan 8.240 nan 0.000 0.453 1142 T N 1.350 115.835 114.554 -0.116 0.000 2.874 1142 T HA 0.385 4.725 4.350 -0.017 0.000 0.281 1142 T C 1.301 175.984 174.700 -0.027 0.000 0.994 1142 T CA -0.948 61.116 62.100 -0.060 0.000 1.015 1142 T CB 0.905 69.807 68.868 0.056 0.000 1.028 1142 T HN 0.161 nan 8.240 nan 0.000 0.523 1143 L N 0.792 122.008 121.223 -0.011 0.000 2.083 1143 L HA 0.020 4.350 4.340 -0.017 0.000 0.209 1143 L C 2.607 179.481 176.870 0.008 0.000 1.083 1143 L CA 1.687 56.526 54.840 -0.001 0.000 0.752 1143 L CB -1.078 40.985 42.059 0.008 0.000 0.899 1143 L HN 0.844 nan 8.230 nan 0.000 0.433 1144 K N -0.429 119.980 120.400 0.015 0.000 2.049 1144 K HA -0.268 4.042 4.320 -0.017 0.000 0.219 1144 K C 1.835 178.444 176.600 0.014 0.000 1.056 1144 K CA 2.384 58.682 56.287 0.018 0.000 0.946 1144 K CB -0.317 32.199 32.500 0.027 0.000 0.723 1144 K HN 0.551 nan 8.250 nan 0.000 0.453 1145 S N -0.110 115.597 115.700 0.013 0.000 2.607 1145 S HA -0.005 4.455 4.470 -0.017 0.000 0.224 1145 S C 1.156 175.759 174.600 0.006 0.000 0.969 1145 S CA 0.460 58.667 58.200 0.011 0.000 0.927 1145 S CB 0.121 63.328 63.200 0.013 0.000 0.772 1145 S HN 0.274 nan 8.310 nan 0.000 0.533 1146 V N -2.023 117.894 119.914 0.004 0.000 2.940 1146 V HA 0.510 4.620 4.120 -0.017 0.000 0.366 1146 V C -0.324 175.774 176.094 0.007 0.000 1.353 1146 V CA -0.408 61.894 62.300 0.003 0.000 1.232 1146 V CB -0.493 31.329 31.823 -0.001 0.000 1.278 1146 V HN 0.246 nan 8.190 nan 0.000 0.546 1147 T N 1.196 115.755 114.554 0.008 0.000 2.991 1147 T HA 0.568 4.908 4.350 -0.017 0.000 0.303 1147 T C 0.753 175.460 174.700 0.011 0.000 1.015 1147 T CA -0.393 61.713 62.100 0.010 0.000 1.007 1147 T CB 2.354 71.229 68.868 0.012 0.000 1.034 1147 T HN -0.031 nan 8.240 nan 0.000 0.446 1148 I N 1.376 121.953 120.570 0.012 0.000 2.141 1148 I HA 0.248 4.408 4.170 -0.017 0.000 0.236 1148 I C 1.290 177.417 176.117 0.017 0.000 1.071 1148 I CA 0.980 62.288 61.300 0.014 0.000 1.345 1148 I CB -0.748 37.261 38.000 0.015 0.000 1.066 1148 I HN 0.695 nan 8.210 nan 0.000 0.406 1149 A N -0.430 122.402 122.820 0.021 0.000 2.606 1149 A HA 0.552 4.862 4.320 -0.017 0.000 0.293 1149 A C -0.692 176.910 177.584 0.030 0.000 1.082 1149 A CA -0.318 51.735 52.037 0.027 0.000 0.685 1149 A CB 1.589 20.610 19.000 0.035 0.000 1.284 1149 A HN 0.072 nan 8.150 nan 0.000 0.408 1150 S N 0.480 116.200 115.700 0.033 0.000 2.474 1150 S HA 0.535 4.995 4.470 -0.017 0.000 0.321 1150 S C -0.683 173.954 174.600 0.062 0.000 1.080 1150 S CA -0.350 57.872 58.200 0.035 0.000 1.106 1150 S CB 0.220 63.434 63.200 0.022 0.000 0.984 1150 S HN 0.554 nan 8.310 nan 0.000 0.464 1151 E N 3.610 123.866 120.200 0.093 0.000 2.212 1151 E HA 0.643 4.983 4.350 -0.017 0.000 0.268 1151 E C -1.183 175.589 176.600 0.287 0.000 0.902 1151 E CA -0.827 55.697 56.400 0.207 0.000 0.779 1151 E CB 1.775 31.654 29.700 0.299 0.000 1.172 1151 E HN 0.552 nan 8.360 nan 0.000 0.409 1152 I N 1.307 122.084 120.570 0.345 0.000 2.775 1152 I HA 0.365 4.525 4.170 -0.017 0.000 0.295 1152 I C -1.506 174.698 176.117 0.145 0.000 1.287 1152 I CA -0.612 60.892 61.300 0.341 0.000 1.029 1152 I CB 1.282 39.364 38.000 0.138 0.000 1.282 1152 I HN 0.537 nan 8.210 nan 0.000 0.426 1153 Y N 3.315 123.710 120.300 0.158 0.000 2.743 1153 Y HA -0.150 4.390 4.550 -0.017 0.000 0.023 1153 Y C -0.601 175.530 175.900 0.385 0.000 2.068 1153 Y CA -0.228 58.000 58.100 0.213 0.000 1.270 1153 Y CB -0.987 37.552 38.460 0.131 0.000 1.949 1153 Y HN 0.690 nan 8.280 nan 0.000 0.272 1154 Y N 2.119 122.626 120.300 0.344 0.000 2.926 1154 Y HA 0.121 4.661 4.550 -0.017 0.000 0.506 1154 Y C 1.520 177.422 175.900 0.004 0.000 1.476 1154 Y CA 1.373 59.589 58.100 0.193 0.000 2.159 1154 Y CB 0.346 38.848 38.460 0.071 0.000 1.794 1154 Y HN 0.756 nan 8.280 nan 0.000 0.668 1155 D N -1.848 118.249 120.400 -0.505 0.000 2.448 1155 D HA 0.196 4.826 4.640 -0.017 0.000 0.256 1155 D C -1.817 174.326 176.300 -0.261 0.000 1.108 1155 D CA -0.236 53.401 54.000 -0.604 0.000 0.848 1155 D CB -0.241 39.834 40.800 -1.208 0.000 1.281 1155 D HN 0.166 nan 8.370 nan 0.000 0.509 1156 P HA -0.239 nan 4.420 nan 0.000 0.258 1156 P C -0.474 176.761 177.300 -0.108 0.000 0.859 1156 P CA 1.895 64.972 63.100 -0.038 0.000 1.089 1156 P CB -0.047 31.647 31.700 -0.010 0.000 0.803 1157 D N -4.703 115.639 120.400 -0.096 0.000 9.948 1157 D HA -0.123 4.507 4.640 -0.017 0.000 0.354 1157 D C -2.255 174.009 176.300 -0.060 0.000 2.964 1157 D CA 0.799 54.742 54.000 -0.095 0.000 2.324 1157 D CB -2.198 38.528 40.800 -0.123 0.000 1.175 1157 D HN 0.274 nan 8.370 nan 0.000 1.063 1158 P HA -0.233 nan 4.420 nan 0.000 0.016 1158 P C -0.141 177.141 177.300 -0.030 0.000 0.585 1158 P CA 1.456 64.534 63.100 -0.037 0.000 1.032 1158 P CB -0.673 31.011 31.700 -0.027 0.000 1.900 1159 R N -1.269 119.206 120.500 -0.041 0.000 2.652 1159 R HA 0.493 4.823 4.340 -0.017 0.000 0.271 1159 R C 0.309 176.591 176.300 -0.030 0.000 1.129 1159 R CA -0.089 55.990 56.100 -0.037 0.000 1.200 1159 R CB -0.342 29.924 30.300 -0.057 0.000 1.146 1159 R HN 0.035 nan 8.270 nan 0.000 0.581 1160 S N -1.004 114.683 115.700 -0.022 0.000 3.866 1160 S HA -0.196 4.264 4.470 -0.017 0.000 0.232 1160 S C 0.525 175.111 174.600 -0.023 0.000 0.711 1160 S CA 0.614 58.803 58.200 -0.018 0.000 1.361 1160 S CB -1.870 61.326 63.200 -0.007 0.000 1.635 1160 S HN 0.837 nan 8.310 nan 0.000 0.388 1161 T N 0.547 115.079 114.554 -0.038 0.000 2.996 1161 T HA 0.000 4.341 4.350 -0.017 0.000 0.271 1161 T C 1.163 175.851 174.700 -0.020 0.000 1.126 1161 T CA 0.547 62.619 62.100 -0.047 0.000 1.103 1161 T CB -0.454 68.367 68.868 -0.078 0.000 0.870 1161 T HN 1.210 nan 8.240 nan 0.000 0.528 1162 V N 4.193 124.104 119.914 -0.005 0.000 2.655 1162 V HA 0.275 4.385 4.120 -0.017 0.000 0.300 1162 V C 0.566 176.682 176.094 0.036 0.000 1.044 1162 V CA -1.411 60.898 62.300 0.015 0.000 1.095 1162 V CB -0.781 31.050 31.823 0.013 0.000 0.952 1162 V HN 0.653 nan 8.190 nan 0.000 0.485 1163 I N 4.591 125.201 120.570 0.067 0.000 3.494 1163 I HA -0.098 4.062 4.170 -0.017 0.000 0.126 1163 I C -2.184 173.973 176.117 0.067 0.000 0.972 1163 I CA -0.722 60.636 61.300 0.097 0.000 2.750 1163 I CB -1.276 36.816 38.000 0.153 0.000 1.121 1163 I HN 0.540 nan 8.210 nan 0.000 0.344 1164 P HA -0.110 nan 4.420 nan 0.000 0.264 1164 P C 0.045 177.362 177.300 0.029 0.000 1.156 1164 P CA 0.952 64.086 63.100 0.057 0.000 0.756 1164 P CB 0.206 31.957 31.700 0.084 0.000 0.764 1165 E N 0.500 120.712 120.200 0.020 0.000 0.724 1165 E HA -0.257 4.083 4.350 -0.017 0.000 0.339 1165 E C -0.540 176.056 176.600 -0.006 0.000 0.770 1165 E CA 1.242 57.648 56.400 0.009 0.000 1.262 1165 E CB -1.243 28.463 29.700 0.012 0.000 0.520 1165 E HN 0.447 nan 8.360 nan 0.000 0.346 1166 D N 2.029 122.423 120.400 -0.010 0.000 2.753 1166 D HA -0.013 4.617 4.640 -0.017 0.000 0.291 1166 D C 0.927 177.213 176.300 -0.023 0.000 1.075 1166 D CA 0.518 54.502 54.000 -0.027 0.000 0.946 1166 D CB 0.427 41.209 40.800 -0.029 0.000 1.376 1166 D HN 0.430 nan 8.370 nan 0.000 0.482 1167 E N 1.121 121.314 120.200 -0.012 0.000 2.408 1167 E HA -0.054 4.287 4.350 -0.017 0.000 0.289 1167 E C 1.003 177.607 176.600 0.008 0.000 0.770 1167 E CA 0.666 57.063 56.400 -0.006 0.000 1.717 1167 E CB -0.411 29.288 29.700 -0.002 0.000 1.271 1167 E HN 0.369 nan 8.360 nan 0.000 0.567 1168 E N 0.379 120.589 120.200 0.018 0.000 2.569 1168 E HA 0.122 4.462 4.350 -0.017 0.000 0.205 1168 E C 1.062 177.679 176.600 0.028 0.000 1.006 1168 E CA -0.070 56.341 56.400 0.019 0.000 0.985 1168 E CB 0.294 30.005 29.700 0.018 0.000 1.060 1168 E HN 0.158 nan 8.360 nan 0.000 0.460 1169 I N 0.334 120.925 120.570 0.035 0.000 4.181 1169 I HA 0.245 4.405 4.170 -0.017 0.000 0.331 1169 I C -0.212 175.935 176.117 0.051 0.000 1.312 1169 I CA -0.291 61.037 61.300 0.046 0.000 1.146 1169 I CB 0.623 38.656 38.000 0.054 0.000 1.074 1169 I HN -0.039 nan 8.210 nan 0.000 0.402 1170 I N 0.192 120.782 120.570 0.035 0.000 2.412 1170 I HA 0.264 4.424 4.170 -0.017 0.000 0.296 1170 I C 1.127 177.244 176.117 -0.000 0.000 0.987 1170 I CA 0.100 61.413 61.300 0.021 0.000 1.180 1170 I CB 1.726 39.722 38.000 -0.006 0.000 1.340 1170 I HN 0.120 nan 8.210 nan 0.000 0.455 1171 Q N 5.238 125.041 119.800 0.006 0.000 1.879 1171 Q HA 0.059 4.389 4.340 -0.017 0.000 0.214 1171 Q C 0.937 177.000 176.000 0.104 0.000 0.973 1171 Q CA 1.152 56.986 55.803 0.050 0.000 0.856 1171 Q CB -0.265 28.497 28.738 0.041 0.000 0.907 1171 Q HN 0.674 nan 8.270 nan 0.000 0.436 1172 L N -0.041 121.251 121.223 0.115 0.000 4.250 1172 L HA -0.242 4.088 4.340 -0.017 0.000 0.495 1172 L C 0.373 177.267 176.870 0.040 0.000 1.020 1172 L CA 0.782 55.718 54.840 0.161 0.000 0.932 1172 L CB -1.960 40.192 42.059 0.155 0.000 1.849 1172 L HN 0.428 nan 8.230 nan 0.000 1.032 1173 H N 1.416 120.453 119.070 -0.054 0.000 2.508 1173 H HA 0.279 4.825 4.556 -0.017 0.000 0.224 1173 H C 0.546 175.817 175.328 -0.094 0.000 1.723 1173 H CA -0.820 55.143 56.048 -0.141 0.000 1.251 1173 H CB -0.196 29.569 29.762 0.005 0.000 1.627 1173 H HN 0.565 nan 8.280 nan 0.000 0.543 1174 F N 1.483 121.367 119.950 -0.110 0.000 2.818 1174 F HA 0.254 4.771 4.527 -0.017 0.000 0.303 1174 F C 0.159 175.851 175.800 -0.182 0.000 1.250 1174 F CA -0.612 57.318 58.000 -0.116 0.000 1.409 1174 F CB -0.151 38.821 39.000 -0.047 0.000 1.183 1174 F HN 0.066 nan 8.300 nan 0.000 0.534 1175 S N 1.501 116.987 115.700 -0.357 0.000 2.481 1175 S HA 0.407 4.867 4.470 -0.017 0.000 0.243 1175 S C -0.233 174.284 174.600 -0.139 0.000 1.152 1175 S CA -0.479 57.571 58.200 -0.251 0.000 1.168 1175 S CB -0.154 62.835 63.200 -0.352 0.000 0.835 1175 S HN 0.479 nan 8.310 nan 0.000 0.474 1188 Q N 0.682 120.455 119.800 -0.044 0.000 2.369 1188 Q HA 0.334 4.664 4.340 -0.017 0.000 0.295 1188 Q C -0.378 175.576 176.000 -0.077 0.000 1.075 1188 Q CA 0.697 56.457 55.803 -0.071 0.000 0.941 1188 Q CB 0.840 29.526 28.738 -0.087 0.000 1.260 1188 Q HN 0.016 nan 8.270 nan 0.000 0.417 1189 S N 1.353 116.994 115.700 -0.099 0.000 2.533 1189 S HA 0.464 4.924 4.470 -0.017 0.000 0.271 1189 S C -2.690 171.804 174.600 -0.178 0.000 1.143 1189 S CA -1.085 57.052 58.200 -0.106 0.000 0.891 1189 S CB 2.167 65.337 63.200 -0.050 0.000 1.105 1189 S HN 0.442 nan 8.310 nan 0.000 0.468 1190 P HA 0.096 nan 4.420 nan 0.000 0.271 1190 P C -0.558 176.562 177.300 -0.301 0.000 1.220 1190 P CA 0.232 62.969 63.100 -0.605 0.000 0.768 1190 P CB -0.042 31.123 31.700 -0.891 0.000 0.848 1191 W N 1.630 122.790 121.300 -0.233 0.000 3.078 1191 W HA -0.174 4.476 4.660 -0.016 0.000 0.451 1191 W C -0.173 176.292 176.519 -0.090 0.000 1.852 1191 W CA -0.194 57.071 57.345 -0.133 0.000 0.459 1191 W CB -1.336 28.074 29.460 -0.084 0.000 2.859 1191 W HN 0.541 nan 8.180 nan 0.000 0.416 1192 L N 2.769 124.066 121.223 0.124 0.000 1.161 1192 L HA -0.085 4.245 4.340 -0.017 0.000 0.421 1192 L C -1.444 175.504 176.870 0.130 0.000 1.003 1192 L CA -0.256 54.655 54.840 0.119 0.000 1.159 1192 L CB -0.930 41.222 42.059 0.155 0.000 1.272 1192 L HN 0.751 nan 8.230 nan 0.000 0.727 1193 L N 5.719 126.983 121.223 0.068 0.000 2.751 1193 L HA 0.449 4.779 4.340 -0.017 0.000 0.261 1193 L C 0.477 177.353 176.870 0.011 0.000 0.927 1193 L CA -0.082 54.789 54.840 0.052 0.000 0.968 1193 L CB 1.391 43.470 42.059 0.033 0.000 1.432 1193 L HN 0.791 nan 8.230 nan 0.000 0.439 1194 R N 2.661 123.163 120.500 0.003 0.000 2.024 1194 R HA 0.528 4.858 4.340 -0.017 0.000 0.216 1194 R C -0.480 175.802 176.300 -0.031 0.000 1.259 1194 R CA 0.473 56.541 56.100 -0.054 0.000 1.001 1194 R CB 0.149 30.364 30.300 -0.142 0.000 0.881 1194 R HN 0.640 nan 8.270 nan 0.000 0.459 1195 L N 0.021 121.239 121.223 -0.008 0.000 0.584 1195 L HA -0.185 4.145 4.340 -0.017 0.000 0.356 1195 L C -0.616 176.251 176.870 -0.005 0.000 1.004 1195 L CA 1.056 55.896 54.840 0.001 0.000 1.223 1195 L CB -0.477 41.584 42.059 0.004 0.000 0.012 1195 L HN 0.460 nan 8.230 nan 0.000 0.091 1196 E N 0.972 121.175 120.200 0.005 0.000 2.393 1196 E HA 0.891 5.231 4.350 -0.017 0.000 0.273 1196 E C -1.603 175.002 176.600 0.009 0.000 0.918 1196 E CA -0.873 55.530 56.400 0.005 0.000 0.773 1196 E CB 1.672 31.378 29.700 0.010 0.000 1.275 1196 E HN 0.484 nan 8.360 nan 0.000 0.451 1197 L N 1.619 122.847 121.223 0.008 0.000 2.371 1197 L HA 0.493 4.823 4.340 -0.017 0.000 0.262 1197 L C -1.097 175.778 176.870 0.008 0.000 1.006 1197 L CA -0.999 53.846 54.840 0.009 0.000 0.818 1197 L CB 1.862 43.927 42.059 0.010 0.000 1.354 1197 L HN 0.673 nan 8.230 nan 0.000 0.415 1198 D N 1.821 122.225 120.400 0.007 0.000 3.585 1198 D HA -0.142 4.488 4.640 -0.017 0.000 0.251 1198 D C 0.457 176.759 176.300 0.004 0.000 1.065 1198 D CA 0.609 54.613 54.000 0.006 0.000 1.048 1198 D CB 0.202 41.006 40.800 0.007 0.000 0.952 1198 D HN 0.747 nan 8.370 nan 0.000 0.421 1199 R N 1.486 121.987 120.500 0.003 0.000 2.480 1199 R HA 0.564 4.894 4.340 -0.017 0.000 0.277 1199 R C 0.165 176.464 176.300 -0.001 0.000 1.008 1199 R CA 0.168 56.268 56.100 0.001 0.000 1.090 1199 R CB 0.458 30.758 30.300 0.000 0.000 1.234 1199 R HN 0.313 nan 8.270 nan 0.000 0.549 1200 A N 0.555 123.375 122.820 0.000 0.000 2.664 1200 A HA 0.557 4.867 4.320 -0.017 0.000 0.300 1200 A C 0.442 178.027 177.584 0.003 0.000 1.210 1200 A CA -0.232 51.805 52.037 0.000 0.000 0.863 1200 A CB 0.329 19.329 19.000 -0.000 0.000 1.464 1200 A HN 0.446 nan 8.150 nan 0.000 0.438 1201 A N 2.083 124.906 122.820 0.004 0.000 5.251 1201 A HA -0.336 3.974 4.320 -0.017 0.000 0.334 1201 A C 1.865 179.448 177.584 -0.002 0.000 1.764 1201 A CA 2.367 54.404 52.037 0.001 0.000 0.708 1201 A CB -1.646 17.354 19.000 0.001 0.000 1.420 1201 A HN 1.614 nan 8.150 nan 0.000 0.394 1202 M N -0.152 119.445 119.600 -0.005 0.000 2.106 1202 M HA -0.160 4.310 4.480 -0.017 0.000 0.259 1202 M C 1.529 177.822 176.300 -0.012 0.000 1.068 1202 M CA 2.508 57.802 55.300 -0.010 0.000 1.100 1202 M CB -2.199 30.394 32.600 -0.012 0.000 1.351 1202 M HN 0.718 nan 8.290 nan 0.000 0.404 1203 N N 0.700 119.394 118.700 -0.010 0.000 2.223 1203 N HA -0.129 4.601 4.740 -0.017 0.000 0.185 1203 N C 1.481 176.985 175.510 -0.010 0.000 1.016 1203 N CA 1.158 54.201 53.050 -0.011 0.000 0.863 1203 N CB -0.127 38.355 38.487 -0.009 0.000 0.983 1203 N HN 0.407 nan 8.380 nan 0.000 0.429 1204 D N 0.429 120.829 120.400 -0.001 0.000 2.306 1204 D HA 0.061 4.691 4.640 -0.017 0.000 0.239 1204 D C -0.178 176.129 176.300 0.012 0.000 1.105 1204 D CA 0.592 54.598 54.000 0.010 0.000 0.950 1204 D CB 0.117 40.931 40.800 0.023 0.000 1.036 1204 D HN 0.005 nan 8.370 nan 0.000 0.428 1205 K N 1.690 122.102 120.400 0.019 0.000 2.383 1205 K HA 0.090 4.400 4.320 -0.017 0.000 0.286 1205 K C -0.806 175.791 176.600 -0.005 0.000 1.051 1205 K CA -0.203 56.095 56.287 0.018 0.000 0.974 1205 K CB 0.447 32.959 32.500 0.021 0.000 0.968 1205 K HN 0.114 nan 8.250 nan 0.000 0.475 1206 D N 3.578 123.969 120.400 -0.015 0.000 2.518 1206 D HA -0.024 4.606 4.640 -0.017 0.000 0.270 1206 D C -0.519 175.764 176.300 -0.028 0.000 1.338 1206 D CA 0.979 54.962 54.000 -0.028 0.000 0.983 1206 D CB -0.047 40.731 40.800 -0.037 0.000 1.126 1206 D HN 0.239 nan 8.370 nan 0.000 0.543 1207 L N 1.243 122.450 121.223 -0.028 0.000 2.582 1207 L HA 0.467 4.797 4.340 -0.017 0.000 0.257 1207 L C -0.258 176.594 176.870 -0.030 0.000 0.974 1207 L CA -0.825 53.997 54.840 -0.029 0.000 0.851 1207 L CB 2.420 44.464 42.059 -0.025 0.000 1.424 1207 L HN 0.250 nan 8.230 nan 0.000 0.412 1208 T N -1.942 112.592 114.554 -0.035 0.000 2.885 1208 T HA 0.360 4.700 4.350 -0.017 0.000 0.285 1208 T C 1.086 175.764 174.700 -0.037 0.000 1.019 1208 T CA -0.863 61.214 62.100 -0.038 0.000 1.010 1208 T CB 1.790 70.628 68.868 -0.050 0.000 1.022 1208 T HN 0.455 nan 8.240 nan 0.000 0.466 1209 M N 1.879 121.460 119.600 -0.032 0.000 2.147 1209 M HA -0.153 4.317 4.480 -0.017 0.000 0.253 1209 M C 2.431 178.713 176.300 -0.031 0.000 1.075 1209 M CA 2.649 57.936 55.300 -0.021 0.000 1.085 1209 M CB -1.786 30.803 32.600 -0.019 0.000 1.305 1209 M HN 1.011 nan 8.290 nan 0.000 0.409 1210 G N -1.125 107.626 108.800 -0.081 0.000 2.511 1210 G HA2 -0.289 3.661 3.960 -0.017 0.000 0.216 1210 G HA3 -0.289 3.661 3.960 -0.017 0.000 0.216 1210 G C 1.323 176.157 174.900 -0.110 0.000 1.218 1210 G CA 1.037 46.046 45.100 -0.152 0.000 0.788 1210 G HN 0.588 nan 8.290 nan 0.000 0.560 1211 Q N -0.213 119.534 119.800 -0.090 0.000 2.217 1211 Q HA -0.156 4.174 4.340 -0.017 0.000 0.209 1211 Q C 2.710 178.695 176.000 -0.026 0.000 0.988 1211 Q CA 1.573 57.338 55.803 -0.063 0.000 0.878 1211 Q CB -0.217 28.487 28.738 -0.056 0.000 0.909 1211 Q HN 0.344 nan 8.270 nan 0.000 0.424 1212 V N -0.047 119.861 119.914 -0.011 0.000 2.220 1212 V HA -0.267 3.843 4.120 -0.017 0.000 0.250 1212 V C 1.884 178.010 176.094 0.052 0.000 1.056 1212 V CA 1.984 64.293 62.300 0.016 0.000 1.016 1212 V CB -1.014 30.823 31.823 0.023 0.000 0.639 1212 V HN 0.596 nan 8.190 nan 0.000 0.446 1213 G N -0.893 107.970 108.800 0.105 0.000 3.340 1213 G HA2 0.084 4.034 3.960 -0.017 0.000 0.240 1213 G HA3 0.084 4.034 3.960 -0.017 0.000 0.240 1213 G C 0.945 175.989 174.900 0.240 0.000 1.327 1213 G CA -0.011 45.222 45.100 0.222 0.000 1.170 1213 G HN 0.460 nan 8.290 nan 0.000 0.520 1214 E N 0.076 120.334 120.200 0.098 0.000 2.329 1214 E HA 0.116 4.456 4.350 -0.017 0.000 0.189 1214 E C 2.118 178.751 176.600 0.054 0.000 0.997 1214 E CA -0.264 56.173 56.400 0.062 0.000 1.062 1214 E CB -0.315 29.371 29.700 -0.023 0.000 1.260 1214 E HN 0.185 nan 8.360 nan 0.000 0.490 1215 R N 1.206 121.721 120.500 0.025 0.000 2.293 1215 R HA -0.003 4.327 4.340 -0.017 0.000 0.219 1215 R C 2.171 178.490 176.300 0.032 0.000 1.091 1215 R CA 0.343 56.454 56.100 0.018 0.000 1.004 1215 R CB -0.329 29.971 30.300 0.000 0.000 0.865 1215 R HN 0.195 nan 8.270 nan 0.000 0.469 1216 I N 0.228 120.827 120.570 0.048 0.000 2.179 1216 I HA -0.290 3.870 4.170 -0.017 0.000 0.242 1216 I C 2.271 178.428 176.117 0.067 0.000 1.088 1216 I CA 1.391 62.725 61.300 0.056 0.000 1.357 1216 I CB -0.303 37.730 38.000 0.056 0.000 1.051 1216 I HN 0.043 nan 8.210 nan 0.000 0.409 1217 K N 0.379 120.821 120.400 0.070 0.000 2.209 1217 K HA -0.173 4.137 4.320 -0.017 0.000 0.204 1217 K C 2.066 178.702 176.600 0.060 0.000 1.048 1217 K CA 0.833 57.160 56.287 0.065 0.000 0.940 1217 K CB -0.099 32.443 32.500 0.071 0.000 0.729 1217 K HN 0.295 nan 8.250 nan 0.000 0.451 1218 Q N 0.334 120.159 119.800 0.042 0.000 2.541 1218 Q HA -0.060 4.270 4.340 -0.017 0.000 0.215 1218 Q C 0.902 176.900 176.000 -0.003 0.000 0.977 1218 Q CA 0.956 56.767 55.803 0.015 0.000 0.934 1218 Q CB 0.223 28.964 28.738 0.004 0.000 0.988 1218 Q HN 0.314 nan 8.270 nan 0.000 0.521 1219 T N -1.328 113.246 114.554 0.033 0.000 3.009 1219 T HA 0.068 4.408 4.350 -0.017 0.000 0.258 1219 T C 0.864 175.540 174.700 -0.040 0.000 1.063 1219 T CA 0.645 62.759 62.100 0.024 0.000 1.139 1219 T CB 0.104 69.042 68.868 0.118 0.000 0.890 1219 T HN 0.198 nan 8.240 nan 0.000 0.471 1220 F N -0.779 119.175 119.950 0.006 0.000 2.157 1220 F HA 0.332 4.849 4.527 -0.017 0.000 0.277 1220 F C 1.325 177.129 175.800 0.006 0.000 0.904 1220 F CA -0.256 57.748 58.000 0.007 0.000 1.121 1220 F CB 0.626 39.631 39.000 0.008 0.000 1.195 1220 F HN -0.332 nan 8.300 nan 0.000 0.726 1221 K N 0.806 121.325 120.400 0.199 0.000 3.495 1221 K HA -0.333 3.977 4.320 -0.017 0.000 0.288 1221 K C 0.589 177.251 176.600 0.103 0.000 0.908 1221 K CA 2.020 58.368 56.287 0.103 0.000 1.231 1221 K CB -1.958 30.579 32.500 0.063 0.000 1.399 1221 K HN 0.653 nan 8.250 nan 0.000 0.465 1222 N N 0.547 119.340 118.700 0.155 0.000 2.398 1222 N HA -0.028 4.702 4.740 -0.017 0.000 0.188 1222 N C -0.425 175.139 175.510 0.090 0.000 1.122 1222 N CA 0.802 53.926 53.050 0.124 0.000 0.866 1222 N CB 0.232 38.803 38.487 0.140 0.000 0.970 1222 N HN 0.293 nan 8.380 nan 0.000 0.462 1223 D N -0.501 119.944 120.400 0.075 0.000 2.934 1223 D HA 0.317 4.947 4.640 -0.017 0.000 0.249 1223 D C -1.092 175.204 176.300 -0.007 0.000 1.293 1223 D CA -0.360 53.641 54.000 0.002 0.000 0.812 1223 D CB 0.096 40.845 40.800 -0.086 0.000 1.439 1223 D HN 0.114 nan 8.370 nan 0.000 0.555 1224 L N 1.100 122.337 121.223 0.024 0.000 4.058 1224 L HA 0.293 4.623 4.340 -0.017 0.000 0.252 1224 L C -1.680 175.182 176.870 -0.013 0.000 1.030 1224 L CA -0.454 54.393 54.840 0.010 0.000 1.351 1224 L CB 0.679 42.736 42.059 -0.002 0.000 1.996 1224 L HN 0.275 nan 8.230 nan 0.000 0.692 1225 F N 3.809 123.681 119.950 -0.131 0.000 2.450 1225 F HA 0.702 5.219 4.527 -0.017 0.000 0.339 1225 F C 0.050 175.662 175.800 -0.312 0.000 1.146 1225 F CA 0.368 58.237 58.000 -0.220 0.000 1.267 1225 F CB 1.035 39.912 39.000 -0.204 0.000 1.178 1225 F HN 0.108 nan 8.300 nan 0.000 0.585 1226 V N 6.071 125.598 119.914 -0.646 0.000 2.668 1226 V HA 0.428 4.538 4.120 -0.017 0.000 0.304 1226 V C -0.837 174.516 176.094 -1.234 0.000 1.071 1226 V CA -0.833 61.028 62.300 -0.730 0.000 0.894 1226 V CB 1.769 33.187 31.823 -0.677 0.000 1.008 1226 V HN 0.553 nan 8.190 nan 0.000 0.425 1227 I N 2.160 122.339 120.570 -0.652 0.000 2.571 1227 I HA 0.585 4.745 4.170 -0.017 0.000 0.289 1227 I C -0.848 175.238 176.117 -0.051 0.000 1.115 1227 I CA -0.691 60.302 61.300 -0.511 0.000 1.045 1227 I CB 1.782 39.630 38.000 -0.252 0.000 1.238 1227 I HN 1.242 nan 8.210 nan 0.000 0.424 1228 W N 5.084 126.368 121.300 -0.025 0.000 3.527 1228 W HA -0.119 4.531 4.660 -0.017 0.000 0.443 1228 W C -0.785 175.717 176.519 -0.028 0.000 1.781 1228 W CA 0.277 57.602 57.345 -0.034 0.000 0.571 1228 W CB -2.271 27.157 29.460 -0.052 0.000 2.885 1228 W HN 1.090 nan 8.180 nan 0.000 0.639 1229 S N 0.547 116.383 115.700 0.226 0.000 2.753 1229 S HA 0.761 5.221 4.470 -0.017 0.000 0.302 1229 S C 0.088 174.737 174.600 0.082 0.000 1.104 1229 S CA -0.521 57.764 58.200 0.142 0.000 0.968 1229 S CB 1.999 65.248 63.200 0.081 0.000 1.278 1229 S HN 0.357 nan 8.310 nan 0.000 0.549 1230 E N 2.122 122.352 120.200 0.051 0.000 2.884 1230 E HA 0.262 4.602 4.350 -0.017 0.000 0.221 1230 E C -0.880 175.729 176.600 0.014 0.000 1.137 1230 E CA -0.228 56.185 56.400 0.022 0.000 1.160 1230 E CB -0.348 29.363 29.700 0.018 0.000 1.385 1230 E HN 0.538 nan 8.360 nan 0.000 0.442 1237 I N 0.523 121.105 120.570 0.021 0.000 2.604 1237 I HA 0.557 4.718 4.170 -0.017 0.000 0.306 1237 I C -1.843 174.287 176.117 0.021 0.000 1.912 1237 I CA -0.363 60.943 61.300 0.011 0.000 0.927 1237 I CB 1.632 39.631 38.000 -0.002 0.000 1.473 1237 I HN 0.043 nan 8.210 nan 0.000 0.634 1238 I N 3.893 124.465 120.570 0.003 0.000 2.828 1238 I HA 0.645 4.805 4.170 -0.017 0.000 0.302 1238 I C -0.594 175.503 176.117 -0.033 0.000 1.101 1238 I CA -0.704 60.599 61.300 0.004 0.000 1.031 1238 I CB 2.010 40.018 38.000 0.014 0.000 1.231 1238 I HN 0.610 nan 8.210 nan 0.000 0.427 1239 R N 3.396 123.867 120.500 -0.049 0.000 2.561 1239 R HA 0.656 4.986 4.340 -0.017 0.000 0.266 1239 R C -2.142 174.112 176.300 -0.076 0.000 1.091 1239 R CA -0.284 55.773 56.100 -0.072 0.000 0.927 1239 R CB 1.886 32.133 30.300 -0.088 0.000 1.240 1239 R HN 0.805 nan 8.270 nan 0.000 0.449 1240 C N 3.764 123.032 119.300 -0.053 0.000 2.679 1240 C HA 0.470 4.920 4.460 -0.017 0.000 0.354 1240 C C 0.040 175.022 174.990 -0.014 0.000 1.067 1240 C CA -1.081 57.912 59.018 -0.041 0.000 1.317 1240 C CB 0.819 28.537 27.740 -0.036 0.000 1.843 1240 C HN 0.877 nan 8.230 nan 0.000 0.459 1241 R N 1.237 121.735 120.500 -0.004 0.000 2.637 1241 R HA 0.697 5.027 4.340 -0.017 0.000 0.269 1241 R C 0.133 176.438 176.300 0.008 0.000 1.089 1241 R CA -0.156 55.941 56.100 -0.004 0.000 1.177 1241 R CB 0.937 31.215 30.300 -0.037 0.000 1.091 1241 R HN 0.741 nan 8.270 nan 0.000 0.540 1242 V N -0.774 119.141 119.914 0.001 0.000 3.001 1242 V HA 0.703 4.813 4.120 -0.017 0.000 0.314 1242 V C -0.554 175.531 176.094 -0.016 0.000 1.099 1242 V CA -0.713 61.583 62.300 -0.007 0.000 0.989 1242 V CB 2.168 33.987 31.823 -0.006 0.000 1.040 1242 V HN 0.430 nan 8.190 nan 0.000 0.434 1255 E N 1.119 121.371 120.200 0.086 0.000 2.560 1255 E HA -0.200 4.140 4.350 -0.017 0.000 0.158 1255 E C 0.402 177.044 176.600 0.070 0.000 1.709 1255 E CA 1.093 57.535 56.400 0.070 0.000 0.653 1255 E CB -0.428 29.282 29.700 0.016 0.000 1.090 1255 E HN 0.809 nan 8.360 nan 0.000 0.355 1256 E N 0.749 121.024 120.200 0.124 0.000 2.400 1256 E HA -0.083 4.257 4.350 -0.017 0.000 0.195 1256 E C 0.684 177.251 176.600 -0.054 0.000 1.012 1256 E CA 0.684 57.154 56.400 0.118 0.000 0.875 1256 E CB 0.294 30.174 29.700 0.299 0.000 0.859 1256 E HN 0.411 nan 8.360 nan 0.000 0.498 1257 D N -0.772 119.438 120.400 -0.316 0.000 2.218 1257 D HA -0.163 4.467 4.640 -0.017 0.000 0.204 1257 D C 1.406 177.578 176.300 -0.213 0.000 0.976 1257 D CA 1.027 54.729 54.000 -0.497 0.000 0.853 1257 D CB -0.054 40.352 40.800 -0.657 0.000 0.939 1257 D HN 0.222 nan 8.370 nan 0.000 0.481 1258 H N -1.091 117.877 119.070 -0.169 0.000 2.525 1258 H HA 0.238 4.784 4.556 -0.017 0.000 0.275 1258 H C 1.549 176.834 175.328 -0.072 0.000 0.984 1258 H CA 0.539 56.525 56.048 -0.103 0.000 1.264 1258 H CB 0.255 29.973 29.762 -0.074 0.000 1.432 1258 H HN -0.039 nan 8.280 nan 0.000 0.549 1259 M N -0.192 119.430 119.600 0.036 0.000 2.595 1259 M HA 0.063 4.533 4.480 -0.017 0.000 0.248 1259 M C 1.369 177.649 176.300 -0.034 0.000 1.119 1259 M CA 0.367 55.672 55.300 0.009 0.000 1.079 1259 M CB 0.207 32.822 32.600 0.025 0.000 1.472 1259 M HN 0.378 nan 8.290 nan 0.000 0.501 1260 L N -0.693 120.490 121.223 -0.067 0.000 2.162 1260 L HA 0.032 4.362 4.340 -0.017 0.000 0.205 1260 L C 1.866 178.686 176.870 -0.084 0.000 1.086 1260 L CA 1.716 56.514 54.840 -0.070 0.000 0.778 1260 L CB -0.449 41.547 42.059 -0.104 0.000 0.928 1260 L HN 0.094 nan 8.230 nan 0.000 0.446 1261 K N -0.089 120.233 120.400 -0.130 0.000 2.062 1261 K HA -0.096 4.214 4.320 -0.017 0.000 0.205 1261 K C 1.351 177.897 176.600 -0.091 0.000 1.051 1261 K CA 1.039 57.249 56.287 -0.129 0.000 0.941 1261 K CB -0.055 32.324 32.500 -0.201 0.000 0.719 1261 K HN 0.043 nan 8.250 nan 0.000 0.440 1262 K N 1.120 121.468 120.400 -0.088 0.000 2.773 1262 K HA 0.042 4.352 4.320 -0.017 0.000 0.222 1262 K C 0.965 177.549 176.600 -0.026 0.000 0.985 1262 K CA 0.378 56.636 56.287 -0.048 0.000 1.126 1262 K CB -0.165 32.315 32.500 -0.033 0.000 0.919 1262 K HN 0.192 nan 8.250 nan 0.000 0.487 1263 I N -1.408 119.144 120.570 -0.030 0.000 3.673 1263 I HA -0.088 4.072 4.170 -0.017 0.000 0.281 1263 I C 1.829 177.944 176.117 -0.002 0.000 1.182 1263 I CA 0.057 61.348 61.300 -0.015 0.000 1.391 1263 I CB 0.114 38.097 38.000 -0.028 0.000 1.383 1263 I HN 0.170 nan 8.210 nan 0.000 0.456 1264 E N 1.531 121.724 120.200 -0.012 0.000 2.204 1264 E HA -0.158 4.182 4.350 -0.017 0.000 0.194 1264 E C 1.393 177.993 176.600 0.001 0.000 0.989 1264 E CA 1.258 57.656 56.400 -0.004 0.000 0.824 1264 E CB -0.246 29.448 29.700 -0.009 0.000 0.756 1264 E HN 0.421 nan 8.360 nan 0.000 0.477 1265 N N 0.733 119.430 118.700 -0.005 0.000 2.250 1265 N HA -0.060 4.670 4.740 -0.017 0.000 0.181 1265 N C 1.270 176.789 175.510 0.015 0.000 1.017 1265 N CA 1.661 54.712 53.050 0.001 0.000 0.866 1265 N CB -0.327 38.156 38.487 -0.008 0.000 0.985 1265 N HN 0.224 nan 8.380 nan 0.000 0.429 1266 T N 0.510 115.076 114.554 0.019 0.000 3.215 1266 T HA 0.181 4.521 4.350 -0.017 0.000 0.254 1266 T C 1.632 176.356 174.700 0.041 0.000 1.149 1266 T CA 0.461 62.583 62.100 0.036 0.000 1.042 1266 T CB 0.204 69.100 68.868 0.048 0.000 0.966 1266 T HN 0.182 nan 8.240 nan 0.000 0.534 1267 M N -0.370 119.249 119.600 0.031 0.000 3.127 1267 M HA 0.289 4.760 4.480 -0.017 0.000 0.228 1267 M C 1.698 178.015 176.300 0.028 0.000 1.558 1267 M CA 0.590 55.908 55.300 0.031 0.000 1.349 1267 M CB -0.013 32.602 32.600 0.024 0.000 1.098 1267 M HN 0.154 nan 8.290 nan 0.000 0.582 1268 L N 0.284 121.520 121.223 0.023 0.000 1.976 1268 L HA -0.152 4.178 4.340 -0.017 0.000 0.209 1268 L C 0.507 177.396 176.870 0.033 0.000 1.071 1268 L CA 1.425 56.279 54.840 0.023 0.000 0.746 1268 L CB -0.341 41.728 42.059 0.017 0.000 0.890 1268 L HN 0.234 nan 8.230 nan 0.000 0.432 1269 E N -0.127 120.094 120.200 0.034 0.000 2.674 1269 E HA 0.130 4.470 4.350 -0.017 0.000 0.240 1269 E C 0.245 176.874 176.600 0.048 0.000 1.213 1269 E CA -0.077 56.350 56.400 0.044 0.000 1.357 1269 E CB 0.180 29.899 29.700 0.031 0.000 1.467 1269 E HN 0.236 nan 8.360 nan 0.000 0.448 1270 N N 0.074 118.810 118.700 0.061 0.000 2.223 1270 N HA -0.010 4.721 4.740 -0.017 0.000 0.309 1270 N C -0.300 175.255 175.510 0.074 0.000 0.844 1270 N CA -0.027 53.060 53.050 0.062 0.000 0.672 1270 N CB 0.584 39.099 38.487 0.046 0.000 2.157 1270 N HN 0.114 nan 8.380 nan 0.000 0.984 1271 I N 3.129 123.733 120.570 0.057 0.000 2.556 1271 I HA 0.146 4.306 4.170 -0.017 0.000 0.284 1271 I C 0.163 176.292 176.117 0.020 0.000 1.114 1271 I CA 0.562 61.886 61.300 0.041 0.000 1.418 1271 I CB 0.988 39.007 38.000 0.031 0.000 1.394 1271 I HN 0.069 nan 8.210 nan 0.000 0.552 1272 T N 7.822 122.382 114.554 0.010 0.000 2.889 1272 T HA 0.356 4.696 4.350 -0.017 0.000 0.291 1272 T C 1.094 175.747 174.700 -0.079 0.000 0.995 1272 T CA -0.354 61.707 62.100 -0.065 0.000 1.092 1272 T CB 1.840 70.712 68.868 0.008 0.000 0.954 1272 T HN 0.324 nan 8.240 nan 0.000 0.506 1273 L N 1.609 122.749 121.223 -0.138 0.000 2.433 1273 L HA 0.367 4.697 4.340 -0.017 0.000 0.200 1273 L C 0.954 177.777 176.870 -0.078 0.000 1.059 1273 L CA 0.650 55.437 54.840 -0.088 0.000 0.835 1273 L CB 0.200 42.209 42.059 -0.083 0.000 1.076 1273 L HN 0.642 nan 8.230 nan 0.000 0.481 1274 R N -1.312 119.125 120.500 -0.106 0.000 2.522 1274 R HA 0.616 4.946 4.340 -0.017 0.000 0.273 1274 R C -0.390 175.875 176.300 -0.058 0.000 1.133 1274 R CA -0.233 55.828 56.100 -0.065 0.000 0.969 1274 R CB 0.981 31.251 30.300 -0.050 0.000 1.235 1274 R HN 0.097 nan 8.270 nan 0.000 0.433 1275 G N 0.861 109.653 108.800 -0.013 0.000 2.526 1275 G HA2 -0.014 3.936 3.960 -0.017 0.000 0.250 1275 G HA3 -0.014 3.936 3.960 -0.017 0.000 0.250 1275 G C -1.169 173.780 174.900 0.082 0.000 1.289 1275 G CA -0.466 44.653 45.100 0.031 0.000 0.947 1275 G HN 0.718 nan 8.290 nan 0.000 0.517 1276 V N 0.401 120.393 119.914 0.130 0.000 2.919 1276 V HA 0.679 4.789 4.120 -0.017 0.000 0.316 1276 V C 0.727 176.946 176.094 0.208 0.000 1.077 1276 V CA -0.279 62.109 62.300 0.146 0.000 0.977 1276 V CB 1.618 33.481 31.823 0.066 0.000 1.039 1276 V HN 1.137 nan 8.190 nan 0.000 0.441 1277 E N 1.740 121.984 120.200 0.073 0.000 2.409 1277 E HA 0.168 4.508 4.350 -0.017 0.000 0.257 1277 E C -0.063 176.412 176.600 -0.208 0.000 1.150 1277 E CA -0.066 56.184 56.400 -0.250 0.000 0.942 1277 E CB 0.113 29.707 29.700 -0.176 0.000 0.979 1277 E HN 0.677 nan 8.360 nan 0.000 0.447 1278 N N -1.418 117.102 118.700 -0.300 0.000 2.921 1278 N HA -0.187 4.543 4.740 -0.017 0.000 0.205 1278 N C -0.314 175.134 175.510 -0.103 0.000 0.945 1278 N CA 1.270 54.223 53.050 -0.161 0.000 1.048 1278 N CB -1.442 36.987 38.487 -0.098 0.000 0.981 1278 N HN 0.478 nan 8.380 nan 0.000 0.590 1279 I N 2.180 122.707 120.570 -0.072 0.000 2.648 1279 I HA 0.022 4.182 4.170 -0.017 0.000 0.284 1279 I C 1.550 177.674 176.117 0.013 0.000 1.153 1279 I CA 0.876 62.174 61.300 -0.003 0.000 1.426 1279 I CB 0.707 38.739 38.000 0.052 0.000 1.381 1279 I HN 0.171 nan 8.210 nan 0.000 0.571 1280 E N 5.270 125.475 120.200 0.008 0.000 3.332 1280 E HA 0.291 4.631 4.350 -0.017 0.000 0.315 1280 E C 0.036 176.640 176.600 0.008 0.000 0.803 1280 E CA -0.600 55.808 56.400 0.012 0.000 1.261 1280 E CB 0.419 30.114 29.700 -0.008 0.000 2.649 1280 E HN 0.596 nan 8.360 nan 0.000 0.554 1281 R N 0.502 120.987 120.500 -0.025 0.000 2.490 1281 R HA 0.468 4.798 4.340 -0.017 0.000 0.278 1281 R C -1.067 175.219 176.300 -0.024 0.000 1.069 1281 R CA -0.511 55.547 56.100 -0.069 0.000 1.080 1281 R CB 1.284 31.506 30.300 -0.131 0.000 1.030 1281 R HN 0.003 nan 8.270 nan 0.000 0.491 1282 V N 3.369 123.292 119.914 0.015 0.000 2.488 1282 V HA 0.283 4.393 4.120 -0.017 0.000 0.293 1282 V C -0.863 175.357 176.094 0.209 0.000 1.027 1282 V CA -0.833 61.526 62.300 0.099 0.000 0.862 1282 V CB 1.775 33.664 31.823 0.109 0.000 1.008 1282 V HN 0.638 nan 8.190 nan 0.000 0.428 1283 V N 5.887 125.894 119.914 0.155 0.000 2.409 1283 V HA 0.433 4.543 4.120 -0.017 0.000 0.291 1283 V C 0.253 176.445 176.094 0.162 0.000 1.020 1283 V CA -0.796 61.637 62.300 0.222 0.000 0.848 1283 V CB 1.752 33.672 31.823 0.162 0.000 0.990 1283 V HN 1.016 nan 8.190 nan 0.000 0.430 1284 M N 4.301 123.976 119.600 0.126 0.000 2.290 1284 M HA 0.404 4.874 4.480 -0.017 0.000 0.356 1284 M C -0.465 175.986 176.300 0.251 0.000 1.448 1284 M CA 0.994 56.377 55.300 0.139 0.000 0.993 1284 M CB -0.350 32.206 32.600 -0.073 0.000 1.934 1284 M HN 0.577 nan 8.290 nan 0.000 0.461 1285 M N 3.282 123.085 119.600 0.337 0.000 2.267 1285 M HA 0.371 4.841 4.480 -0.017 0.000 0.289 1285 M C -0.914 175.560 176.300 0.290 0.000 1.043 1285 M CA -0.347 55.106 55.300 0.255 0.000 0.928 1285 M CB 2.115 34.756 32.600 0.067 0.000 1.613 1285 M HN 0.725 nan 8.290 nan 0.000 0.450 1286 K N 3.803 124.284 120.400 0.135 0.000 2.083 1286 K HA 0.173 4.483 4.320 -0.017 0.000 0.246 1286 K C -1.258 175.301 176.600 -0.069 0.000 1.160 1286 K CA 0.006 56.210 56.287 -0.137 0.000 1.060 1286 K CB -0.047 32.187 32.500 -0.444 0.000 1.417 1286 K HN 0.627 nan 8.250 nan 0.000 0.329 1287 Y N 1.087 121.395 120.300 0.013 0.000 2.385 1287 Y HA -0.031 4.509 4.550 -0.017 0.000 0.346 1287 Y C 0.743 176.650 175.900 0.011 0.000 1.270 1287 Y CA 0.418 58.547 58.100 0.048 0.000 1.472 1287 Y CB 0.660 39.201 38.460 0.135 0.000 1.354 1287 Y HN 0.477 nan 8.280 nan 0.000 0.611 1288 D N 1.417 121.957 120.400 0.233 0.000 2.252 1288 D HA 0.413 5.043 4.640 -0.017 0.000 0.245 1288 D C -0.863 175.524 176.300 0.145 0.000 1.009 1288 D CA -0.628 53.449 54.000 0.129 0.000 0.870 1288 D CB 1.591 42.432 40.800 0.068 0.000 1.251 1288 D HN 0.379 nan 8.370 nan 0.000 0.460 1289 R N 1.691 122.245 120.500 0.091 0.000 2.522 1289 R HA 0.226 4.556 4.340 -0.017 0.000 0.283 1289 R C -1.091 175.251 176.300 0.070 0.000 1.074 1289 R CA -0.666 55.475 56.100 0.068 0.000 0.925 1289 R CB 1.195 31.518 30.300 0.038 0.000 1.205 1289 R HN 0.240 nan 8.270 nan 0.000 0.436 1290 K N 2.836 123.283 120.400 0.077 0.000 2.339 1290 K HA 0.297 4.607 4.320 -0.017 0.000 0.286 1290 K C -0.746 176.005 176.600 0.252 0.000 1.050 1290 K CA -0.220 56.157 56.287 0.150 0.000 0.956 1290 K CB 1.532 34.050 32.500 0.032 0.000 0.990 1290 K HN 0.226 nan 8.250 nan 0.000 0.475 1291 V N 5.635 125.714 119.914 0.276 0.000 2.638 1291 V HA 0.249 4.360 4.120 -0.017 0.000 0.306 1291 V C -2.295 173.786 176.094 -0.022 0.000 1.052 1291 V CA -2.161 60.222 62.300 0.138 0.000 0.885 1291 V CB 1.936 33.787 31.823 0.046 0.000 0.999 1291 V HN 0.723 nan 8.190 nan 0.000 0.424 1292 P HA 0.047 nan 4.420 nan 0.000 0.259 1292 P C -0.133 177.047 177.300 -0.200 0.000 1.211 1292 P CA 0.495 63.360 63.100 -0.391 0.000 0.810 1292 P CB 0.611 32.128 31.700 -0.305 0.000 0.815 1293 S N 4.894 120.488 115.700 -0.178 0.000 2.548 1293 S HA 0.219 4.679 4.470 -0.017 0.000 0.277 1293 S C -1.129 173.414 174.600 -0.095 0.000 1.315 1293 S CA -1.475 56.667 58.200 -0.096 0.000 1.050 1293 S CB 0.161 63.325 63.200 -0.060 0.000 0.918 1293 S HN 0.209 nan 8.310 nan 0.000 0.497 1294 P HA -0.110 nan 4.420 nan 0.000 0.218 1294 P C 1.430 178.697 177.300 -0.054 0.000 1.146 1294 P CA 1.086 64.149 63.100 -0.061 0.000 0.820 1294 P CB 0.012 31.686 31.700 -0.044 0.000 0.778 1295 T N -3.369 111.158 114.554 -0.044 0.000 3.055 1295 T HA 0.176 4.517 4.350 -0.017 0.000 0.265 1295 T C 1.409 176.092 174.700 -0.028 0.000 1.111 1295 T CA 1.676 63.759 62.100 -0.028 0.000 1.118 1295 T CB -0.430 68.430 68.868 -0.014 0.000 0.909 1295 T HN 0.259 nan 8.240 nan 0.000 0.501 1296 G N 0.399 109.166 108.800 -0.055 0.000 3.180 1296 G HA2 -0.111 3.840 3.960 -0.017 0.000 0.197 1296 G HA3 -0.111 3.840 3.960 -0.017 0.000 0.197 1296 G C -0.245 174.611 174.900 -0.073 0.000 1.149 1296 G CA -0.118 44.949 45.100 -0.055 0.000 0.847 1296 G HN 0.591 nan 8.290 nan 0.000 0.469 1297 E N 0.164 120.345 120.200 -0.031 0.000 2.392 1297 E HA 0.547 4.887 4.350 -0.017 0.000 0.256 1297 E C -0.803 175.769 176.600 -0.046 0.000 1.145 1297 E CA -0.375 56.032 56.400 0.011 0.000 0.929 1297 E CB 0.538 30.269 29.700 0.052 0.000 0.998 1297 E HN 0.378 nan 8.360 nan 0.000 0.442 1298 Y N 0.527 120.850 120.300 0.039 0.000 2.477 1298 Y HA 0.287 4.827 4.550 -0.016 0.000 0.349 1298 Y C -0.433 175.481 175.900 0.024 0.000 0.977 1298 Y CA -0.539 57.580 58.100 0.032 0.000 1.214 1298 Y CB 0.569 39.054 38.460 0.041 0.000 1.124 1298 Y HN 0.155 nan 8.280 nan 0.000 0.521 1299 V N 4.203 124.199 119.914 0.136 0.000 2.667 1299 V HA 0.301 4.411 4.120 -0.017 0.000 0.308 1299 V C -0.373 175.774 176.094 0.088 0.000 1.048 1299 V CA -1.764 60.591 62.300 0.091 0.000 0.928 1299 V CB 1.790 33.640 31.823 0.046 0.000 1.004 1299 V HN 0.556 nan 8.190 nan 0.000 0.444 1300 K N 2.797 123.236 120.400 0.064 0.000 2.402 1300 K HA 0.174 4.484 4.320 -0.017 0.000 0.285 1300 K C 0.010 176.629 176.600 0.032 0.000 1.054 1300 K CA 0.171 56.488 56.287 0.051 0.000 1.001 1300 K CB 0.587 33.106 32.500 0.033 0.000 0.946 1300 K HN 0.693 nan 8.250 nan 0.000 0.473 1301 E N 5.702 125.923 120.200 0.035 0.000 2.035 1301 E HA 0.145 4.485 4.350 -0.017 0.000 0.271 1301 E C -2.286 174.317 176.600 0.005 0.000 0.953 1301 E CA -2.431 53.979 56.400 0.017 0.000 0.777 1301 E CB 0.649 30.362 29.700 0.021 0.000 1.104 1301 E HN 0.253 nan 8.360 nan 0.000 0.408 1302 P HA 0.093 nan 4.420 nan 0.000 0.282 1302 P C -1.426 175.800 177.300 -0.124 0.000 1.274 1302 P CA -0.088 62.965 63.100 -0.079 0.000 0.770 1302 P CB 0.611 32.233 31.700 -0.129 0.000 0.867 1303 E N 2.319 122.473 120.200 -0.076 0.000 2.248 1303 E HA 0.382 4.722 4.350 -0.017 0.000 0.267 1303 E C -1.140 175.462 176.600 0.003 0.000 0.877 1303 E CA -0.988 55.394 56.400 -0.029 0.000 0.759 1303 E CB 0.994 30.759 29.700 0.109 0.000 1.182 1303 E HN 0.269 nan 8.360 nan 0.000 0.418 1304 W N 2.209 123.597 121.300 0.146 0.000 2.251 1304 W HA 0.358 5.008 4.660 -0.017 0.000 0.327 1304 W C -0.406 176.221 176.519 0.178 0.000 1.361 1304 W CA -0.329 57.101 57.345 0.142 0.000 1.234 1304 W CB 0.809 30.327 29.460 0.097 0.000 1.212 1304 W HN 0.237 nan 8.180 nan 0.000 0.557 1305 V N 4.547 124.739 119.914 0.463 0.000 3.078 1305 V HA 0.477 4.587 4.120 -0.017 0.000 0.311 1305 V C -0.239 176.003 176.094 0.247 0.000 1.138 1305 V CA -1.311 61.167 62.300 0.296 0.000 1.007 1305 V CB 1.965 33.940 31.823 0.254 0.000 1.045 1305 V HN 0.287 nan 8.190 nan 0.000 0.432 1306 L N 2.324 123.614 121.223 0.112 0.000 2.334 1306 L HA 0.664 4.994 4.340 -0.017 0.000 0.276 1306 L C -0.426 176.489 176.870 0.075 0.000 1.014 1306 L CA -0.618 54.283 54.840 0.102 0.000 0.815 1306 L CB 1.807 43.908 42.059 0.069 0.000 1.268 1306 L HN 0.570 nan 8.230 nan 0.000 0.428 1307 E N 1.929 122.186 120.200 0.095 0.000 2.171 1307 E HA 0.490 4.830 4.350 -0.017 0.000 0.271 1307 E C -1.031 175.597 176.600 0.046 0.000 0.916 1307 E CA -0.424 56.022 56.400 0.075 0.000 0.774 1307 E CB 2.574 32.330 29.700 0.093 0.000 1.128 1307 E HN 0.439 nan 8.360 nan 0.000 0.403 1308 T N 1.899 116.466 114.554 0.022 0.000 2.928 1308 T HA 0.197 4.537 4.350 -0.017 0.000 0.296 1308 T C -1.043 173.655 174.700 -0.004 0.000 1.000 1308 T CA -0.824 61.283 62.100 0.010 0.000 0.989 1308 T CB 1.048 69.922 68.868 0.009 0.000 1.005 1308 T HN 0.160 nan 8.240 nan 0.000 0.442 1309 D N 2.672 123.067 120.400 -0.007 0.000 2.470 1309 D HA 0.529 5.159 4.640 -0.017 0.000 0.226 1309 D C 0.475 176.763 176.300 -0.020 0.000 1.196 1309 D CA 0.634 54.625 54.000 -0.015 0.000 0.979 1309 D CB 0.261 41.052 40.800 -0.016 0.000 1.059 1309 D HN 0.883 nan 8.370 nan 0.000 0.515 1310 G N -0.412 108.373 108.800 -0.026 0.000 2.368 1310 G HA2 0.315 4.265 3.960 -0.017 0.000 0.301 1310 G HA3 0.315 4.265 3.960 -0.017 0.000 0.301 1310 G C -1.682 173.197 174.900 -0.035 0.000 1.640 1310 G CA -0.810 44.270 45.100 -0.033 0.000 0.941 1310 G HN 0.160 nan 8.290 nan 0.000 0.695 1311 V N 1.351 121.240 119.914 -0.042 0.000 2.443 1311 V HA 0.624 4.734 4.120 -0.017 0.000 0.293 1311 V C 0.181 176.253 176.094 -0.036 0.000 1.021 1311 V CA -0.639 61.636 62.300 -0.041 0.000 0.848 1311 V CB 1.706 33.498 31.823 -0.051 0.000 0.998 1311 V HN 0.841 nan 8.190 nan 0.000 0.424 1312 N N 3.423 122.109 118.700 -0.024 0.000 2.622 1312 N HA 0.117 4.847 4.740 -0.017 0.000 0.293 1312 N C 1.024 176.531 175.510 -0.004 0.000 1.788 1312 N CA -0.300 52.740 53.050 -0.017 0.000 0.860 1312 N CB 0.633 39.110 38.487 -0.018 0.000 1.388 1312 N HN 0.589 nan 8.380 nan 0.000 0.496 1313 L N 1.100 122.321 121.223 -0.004 0.000 2.011 1313 L HA -0.299 4.031 4.340 -0.017 0.000 0.225 1313 L C 1.936 178.815 176.870 0.016 0.000 1.084 1313 L CA 2.206 57.052 54.840 0.010 0.000 0.791 1313 L CB -1.048 41.019 42.059 0.014 0.000 0.898 1313 L HN 0.293 nan 8.230 nan 0.000 0.440 1314 S N -0.851 114.855 115.700 0.011 0.000 2.426 1314 S HA -0.393 4.067 4.470 -0.017 0.000 0.259 1314 S C 1.909 176.518 174.600 0.015 0.000 1.096 1314 S CA 2.290 60.498 58.200 0.012 0.000 1.219 1314 S CB -0.676 62.528 63.200 0.006 0.000 1.124 1314 S HN 0.698 nan 8.310 nan 0.000 0.436 1315 E N -0.308 119.900 120.200 0.014 0.000 2.452 1315 E HA 0.118 4.458 4.350 -0.017 0.000 0.197 1315 E C 1.623 178.236 176.600 0.022 0.000 1.022 1315 E CA -0.003 56.407 56.400 0.017 0.000 0.890 1315 E CB 0.261 29.971 29.700 0.016 0.000 0.918 1315 E HN 0.312 nan 8.360 nan 0.000 0.496 1316 V N 1.631 121.558 119.914 0.022 0.000 2.488 1316 V HA -0.224 3.886 4.120 -0.017 0.000 0.246 1316 V C 2.352 178.466 176.094 0.033 0.000 1.046 1316 V CA 1.663 63.979 62.300 0.027 0.000 1.053 1316 V CB -0.361 31.476 31.823 0.023 0.000 0.679 1316 V HN 0.471 nan 8.190 nan 0.000 0.458 1317 M N 0.905 120.526 119.600 0.035 0.000 2.319 1317 M HA -0.069 4.401 4.480 -0.017 0.000 0.265 1317 M C 1.993 178.316 176.300 0.038 0.000 1.068 1317 M CA 2.026 57.352 55.300 0.042 0.000 1.118 1317 M CB -1.287 31.341 32.600 0.047 0.000 1.395 1317 M HN 0.355 nan 8.290 nan 0.000 0.435 1318 T N -1.038 113.535 114.554 0.030 0.000 3.077 1318 T HA 0.110 4.450 4.350 -0.017 0.000 0.269 1318 T C 0.732 175.448 174.700 0.027 0.000 1.146 1318 T CA 0.062 62.177 62.100 0.026 0.000 1.091 1318 T CB -1.076 67.804 68.868 0.021 0.000 0.892 1318 T HN 0.259 nan 8.240 nan 0.000 0.533 1319 V N 4.377 124.309 119.914 0.031 0.000 2.740 1319 V HA 0.210 4.320 4.120 -0.017 0.000 0.303 1319 V C -1.696 174.418 176.094 0.034 0.000 1.054 1319 V CA -1.658 60.660 62.300 0.031 0.000 1.106 1319 V CB 0.579 32.422 31.823 0.033 0.000 0.957 1319 V HN 0.414 nan 8.190 nan 0.000 0.486 1320 P HA 0.325 nan 4.420 nan 0.000 0.276 1320 P C 0.587 177.910 177.300 0.039 0.000 1.253 1320 P CA 0.724 63.843 63.100 0.032 0.000 0.766 1320 P CB 1.068 32.781 31.700 0.022 0.000 0.845 1321 G N 3.293 112.127 108.800 0.056 0.000 2.428 1321 G HA2 -0.162 3.789 3.960 -0.017 0.000 0.199 1321 G HA3 -0.162 3.789 3.960 -0.017 0.000 0.199 1321 G C 0.050 175.005 174.900 0.091 0.000 1.005 1321 G CA 0.052 45.195 45.100 0.072 0.000 0.671 1321 G HN 0.670 nan 8.290 nan 0.000 0.485 1322 I N 0.545 121.163 120.570 0.080 0.000 2.664 1322 I HA 0.733 4.893 4.170 -0.017 0.000 0.308 1322 I C -1.194 174.980 176.117 0.094 0.000 0.984 1322 I CA -0.772 60.585 61.300 0.094 0.000 1.213 1322 I CB 1.598 39.648 38.000 0.084 0.000 1.379 1322 I HN -0.030 nan 8.210 nan 0.000 0.501 1323 D N 6.811 127.280 120.400 0.116 0.000 2.336 1323 D HA 0.330 4.960 4.640 -0.017 0.000 0.249 1323 D C -2.030 174.329 176.300 0.098 0.000 1.213 1323 D CA -1.958 52.101 54.000 0.099 0.000 0.870 1323 D CB 1.036 41.900 40.800 0.106 0.000 1.076 1323 D HN 0.360 nan 8.370 nan 0.000 0.483 1324 P HA 0.123 nan 4.420 nan 0.000 0.249 1324 P C 0.574 177.908 177.300 0.056 0.000 1.583 1324 P CA -0.025 63.114 63.100 0.066 0.000 0.988 1324 P CB 0.672 32.402 31.700 0.050 0.000 1.530 1325 T N -1.150 113.435 114.554 0.052 0.000 3.018 1325 T HA 0.181 4.521 4.350 -0.017 0.000 0.246 1325 T C 1.543 176.270 174.700 0.044 0.000 1.026 1325 T CA 0.586 62.705 62.100 0.031 0.000 1.081 1325 T CB 0.097 68.966 68.868 0.001 0.000 0.970 1325 T HN -0.011 nan 8.240 nan 0.000 0.475 1326 R N 0.072 120.621 120.500 0.081 0.000 2.308 1326 R HA 0.413 4.743 4.340 -0.017 0.000 0.202 1326 R C 0.676 177.167 176.300 0.319 0.000 0.898 1326 R CA -0.243 55.932 56.100 0.124 0.000 1.046 1326 R CB 0.291 30.586 30.300 -0.008 0.000 1.026 1326 R HN 0.352 nan 8.270 nan 0.000 0.512 1327 I N 1.591 122.314 120.570 0.255 0.000 2.845 1327 I HA -0.220 3.940 4.170 -0.017 0.000 0.296 1327 I C -0.949 175.338 176.117 0.283 0.000 1.216 1327 I CA 0.879 62.315 61.300 0.227 0.000 1.438 1327 I CB 0.250 38.333 38.000 0.138 0.000 1.342 1327 I HN 0.053 nan 8.210 nan 0.000 0.577 1328 Y N 6.370 126.706 120.300 0.060 0.000 2.287 1328 Y HA 0.316 4.856 4.550 -0.017 0.000 0.325 1328 Y C -0.701 175.216 175.900 0.030 0.000 1.139 1328 Y CA -0.918 57.216 58.100 0.058 0.000 1.167 1328 Y CB 0.915 39.428 38.460 0.088 0.000 1.158 1328 Y HN 0.590 nan 8.280 nan 0.000 0.434 1329 T N 4.100 118.489 114.554 -0.275 0.000 2.922 1329 T HA 0.138 4.478 4.350 -0.017 0.000 0.285 1329 T C 1.165 175.512 174.700 -0.588 0.000 1.005 1329 T CA -0.598 61.305 62.100 -0.329 0.000 1.061 1329 T CB 0.810 69.595 68.868 -0.138 0.000 1.007 1329 T HN 0.692 nan 8.240 nan 0.000 0.502 1330 N N 0.238 118.708 118.700 -0.383 0.000 2.515 1330 N HA -0.088 4.642 4.740 -0.017 0.000 0.185 1330 N C 0.654 176.146 175.510 -0.030 0.000 1.109 1330 N CA 0.045 52.946 53.050 -0.247 0.000 0.903 1330 N CB -0.066 38.357 38.487 -0.108 0.000 0.969 1330 N HN 0.445 nan 8.380 nan 0.000 0.450 1331 S N 0.829 116.488 115.700 -0.068 0.000 2.700 1331 S HA 0.092 4.552 4.470 -0.017 0.000 0.321 1331 S C 0.771 175.359 174.600 -0.021 0.000 1.161 1331 S CA -0.921 57.237 58.200 -0.071 0.000 1.078 1331 S CB -1.125 62.016 63.200 -0.099 0.000 1.302 1331 S HN 0.327 nan 8.310 nan 0.000 0.540 1332 F N 4.198 124.156 119.950 0.013 0.000 2.456 1332 F HA 0.175 4.692 4.527 -0.017 0.000 0.298 1332 F C 1.538 177.364 175.800 0.043 0.000 1.104 1332 F CA -0.019 58.013 58.000 0.052 0.000 1.435 1332 F CB -0.321 38.725 39.000 0.077 0.000 1.078 1332 F HN 0.489 nan 8.300 nan 0.000 0.546 1333 I N 1.862 122.076 120.570 -0.593 0.000 2.202 1333 I HA -0.244 3.917 4.170 -0.017 0.000 0.242 1333 I C 1.365 177.406 176.117 -0.128 0.000 1.091 1333 I CA 1.901 62.983 61.300 -0.363 0.000 1.368 1333 I CB -0.728 37.011 38.000 -0.434 0.000 1.058 1333 I HN 0.172 nan 8.210 nan 0.000 0.410 1334 D N 0.340 120.675 120.400 -0.109 0.000 2.162 1334 D HA -0.066 4.564 4.640 -0.017 0.000 0.203 1334 D C 2.308 178.611 176.300 0.006 0.000 0.967 1334 D CA 0.532 54.505 54.000 -0.044 0.000 0.840 1334 D CB 0.133 40.904 40.800 -0.048 0.000 0.972 1334 D HN 0.194 nan 8.370 nan 0.000 0.482 1335 I N 1.139 121.730 120.570 0.036 0.000 2.315 1335 I HA -0.258 3.902 4.170 -0.017 0.000 0.251 1335 I C 2.160 178.333 176.117 0.093 0.000 1.125 1335 I CA 1.038 62.392 61.300 0.091 0.000 1.392 1335 I CB -0.529 37.568 38.000 0.162 0.000 1.065 1335 I HN 0.299 nan 8.210 nan 0.000 0.424 1336 M N 0.622 120.275 119.600 0.088 0.000 2.098 1336 M HA -0.199 4.271 4.480 -0.017 0.000 0.262 1336 M C 2.011 178.342 176.300 0.053 0.000 1.072 1336 M CA 1.822 57.172 55.300 0.084 0.000 1.133 1336 M CB -0.438 32.220 32.600 0.096 0.000 1.344 1336 M HN 0.139 nan 8.290 nan 0.000 0.414 1337 E N -0.396 119.823 120.200 0.033 0.000 2.204 1337 E HA -0.152 4.189 4.350 -0.017 0.000 0.195 1337 E C 1.941 178.555 176.600 0.024 0.000 0.990 1337 E CA 1.231 57.645 56.400 0.022 0.000 0.821 1337 E CB 0.119 29.823 29.700 0.007 0.000 0.750 1337 E HN 0.413 nan 8.360 nan 0.000 0.477 1338 V N 0.442 120.374 119.914 0.030 0.000 2.331 1338 V HA -0.137 3.973 4.120 -0.017 0.000 0.242 1338 V C 1.838 177.954 176.094 0.037 0.000 1.034 1338 V CA 1.188 63.507 62.300 0.031 0.000 1.027 1338 V CB -0.048 31.796 31.823 0.034 0.000 0.667 1338 V HN 0.234 nan 8.190 nan 0.000 0.457 1339 L N -0.081 121.170 121.223 0.048 0.000 2.700 1339 L HA 0.523 4.853 4.340 -0.017 0.000 0.234 1339 L C 0.944 177.841 176.870 0.045 0.000 1.156 1339 L CA 0.436 55.305 54.840 0.049 0.000 0.946 1339 L CB -0.254 41.843 42.059 0.063 0.000 1.216 1339 L HN 0.527 nan 8.230 nan 0.000 0.493 1340 G N 0.599 109.425 108.800 0.043 0.000 2.760 1340 G HA2 -0.288 3.662 3.960 -0.017 0.000 0.246 1340 G HA3 -0.288 3.662 3.960 -0.017 0.000 0.246 1340 G C 0.158 175.089 174.900 0.052 0.000 1.359 1340 G CA -0.107 45.018 45.100 0.041 0.000 0.861 1340 G HN -0.004 nan 8.290 nan 0.000 0.541 1341 I N 0.025 120.624 120.570 0.049 0.000 2.406 1341 I HA 0.091 4.252 4.170 -0.017 0.000 0.249 1341 I C 2.370 178.523 176.117 0.060 0.000 1.122 1341 I CA 2.107 63.442 61.300 0.058 0.000 1.431 1341 I CB -0.187 37.845 38.000 0.053 0.000 1.087 1341 I HN 0.585 nan 8.210 nan 0.000 0.424 1342 E N 0.621 120.850 120.200 0.048 0.000 2.204 1342 E HA -0.105 4.235 4.350 -0.017 0.000 0.194 1342 E C 2.212 178.840 176.600 0.047 0.000 0.989 1342 E CA 1.039 57.464 56.400 0.041 0.000 0.824 1342 E CB -0.217 29.500 29.700 0.027 0.000 0.756 1342 E HN 0.574 nan 8.360 nan 0.000 0.477 1343 A N 0.767 123.621 122.820 0.057 0.000 1.873 1343 A HA -0.074 4.236 4.320 -0.017 0.000 0.215 1343 A C 2.461 180.107 177.584 0.104 0.000 1.186 1343 A CA 1.824 53.905 52.037 0.073 0.000 0.616 1343 A CB -1.042 18.006 19.000 0.081 0.000 0.823 1343 A HN 0.335 nan 8.150 nan 0.000 0.442 1344 G N -0.475 108.394 108.800 0.115 0.000 2.491 1344 G HA2 -0.311 3.639 3.960 -0.017 0.000 0.218 1344 G HA3 -0.311 3.639 3.960 -0.017 0.000 0.218 1344 G C 1.752 176.727 174.900 0.124 0.000 1.180 1344 G CA 1.050 46.242 45.100 0.153 0.000 0.774 1344 G HN 0.390 nan 8.290 nan 0.000 0.562 1345 R N 1.007 121.560 120.500 0.087 0.000 2.133 1345 R HA -0.176 4.154 4.340 -0.017 0.000 0.245 1345 R C 2.759 179.100 176.300 0.068 0.000 1.137 1345 R CA 2.086 58.222 56.100 0.061 0.000 0.947 1345 R CB -1.027 29.299 30.300 0.043 0.000 0.865 1345 R HN 0.341 nan 8.270 nan 0.000 0.437 1346 A N -0.488 122.372 122.820 0.067 0.000 2.119 1346 A HA 0.156 4.466 4.320 -0.017 0.000 0.216 1346 A C 2.199 179.861 177.584 0.130 0.000 1.152 1346 A CA 1.239 53.319 52.037 0.071 0.000 0.708 1346 A CB -0.256 18.757 19.000 0.021 0.000 0.805 1346 A HN 0.468 nan 8.150 nan 0.000 0.460 1347 A N 0.011 122.918 122.820 0.145 0.000 1.855 1347 A HA 0.104 4.414 4.320 -0.017 0.000 0.213 1347 A C 2.057 179.700 177.584 0.097 0.000 1.195 1347 A CA 1.410 53.572 52.037 0.210 0.000 0.610 1347 A CB -0.678 18.505 19.000 0.305 0.000 0.837 1347 A HN 0.817 nan 8.150 nan 0.000 0.444 1348 L N -1.203 119.995 121.223 -0.042 0.000 2.042 1348 L HA -0.187 4.143 4.340 -0.017 0.000 0.210 1348 L C 2.257 179.043 176.870 -0.139 0.000 1.076 1348 L CA 2.639 57.290 54.840 -0.314 0.000 0.749 1348 L CB -1.002 40.877 42.059 -0.300 0.000 0.893 1348 L HN 0.515 nan 8.230 nan 0.000 0.432 1349 Y N 0.760 120.998 120.300 -0.103 0.000 2.049 1349 Y HA -0.347 4.193 4.550 -0.017 0.000 0.277 1349 Y C 2.771 178.680 175.900 0.016 0.000 1.143 1349 Y CA 2.596 60.663 58.100 -0.056 0.000 1.115 1349 Y CB -0.394 38.037 38.460 -0.048 0.000 0.975 1349 Y HN 0.232 nan 8.280 nan 0.000 0.487 1350 K N -0.321 120.223 120.400 0.240 0.000 2.218 1350 K HA -0.277 4.033 4.320 -0.017 0.000 0.205 1350 K C 1.950 178.605 176.600 0.092 0.000 1.046 1350 K CA 1.864 58.254 56.287 0.170 0.000 0.933 1350 K CB -0.135 32.471 32.500 0.177 0.000 0.728 1350 K HN 0.315 nan 8.250 nan 0.000 0.454 1351 E N -0.113 120.109 120.200 0.038 0.000 2.051 1351 E HA -0.072 4.269 4.350 -0.017 0.000 0.189 1351 E C 1.782 178.351 176.600 -0.051 0.000 0.979 1351 E CA 0.725 57.133 56.400 0.013 0.000 0.803 1351 E CB -0.036 29.632 29.700 -0.054 0.000 0.761 1351 E HN 0.038 nan 8.360 nan 0.000 0.451 1352 V N 0.551 120.377 119.914 -0.147 0.000 2.287 1352 V HA -0.288 3.822 4.120 -0.017 0.000 0.248 1352 V C 2.036 178.033 176.094 -0.162 0.000 1.053 1352 V CA 2.128 64.325 62.300 -0.172 0.000 1.027 1352 V CB -0.657 31.028 31.823 -0.230 0.000 0.646 1352 V HN 0.374 nan 8.190 nan 0.000 0.447 1353 Y N 1.335 121.420 120.300 -0.357 0.000 2.053 1353 Y HA -0.286 4.254 4.550 -0.016 0.000 0.277 1353 Y C 2.567 178.396 175.900 -0.118 0.000 1.159 1353 Y CA 2.206 60.130 58.100 -0.293 0.000 1.125 1353 Y CB -0.244 38.003 38.460 -0.355 0.000 0.969 1353 Y HN 0.260 nan 8.280 nan 0.000 0.492 1354 N N -0.227 118.594 118.700 0.201 0.000 2.585 1354 N HA -0.136 4.594 4.740 -0.017 0.000 0.188 1354 N C 1.386 176.936 175.510 0.067 0.000 1.102 1354 N CA 1.068 54.219 53.050 0.167 0.000 0.920 1354 N CB 0.194 38.780 38.487 0.165 0.000 0.963 1354 N HN 0.277 nan 8.380 nan 0.000 0.447 1355 V N 0.622 120.538 119.914 0.003 0.000 2.627 1355 V HA 0.019 4.129 4.120 -0.017 0.000 0.239 1355 V C 2.210 178.264 176.094 -0.067 0.000 1.077 1355 V CA 0.366 62.651 62.300 -0.025 0.000 1.103 1355 V CB 0.224 32.026 31.823 -0.034 0.000 0.802 1355 V HN 0.080 nan 8.190 nan 0.000 0.482 1356 I N 1.048 121.542 120.570 -0.128 0.000 2.094 1356 I HA -0.094 4.066 4.170 -0.017 0.000 0.234 1356 I C 2.028 178.035 176.117 -0.184 0.000 1.063 1356 I CA 1.927 63.125 61.300 -0.169 0.000 1.328 1356 I CB -1.004 36.853 38.000 -0.239 0.000 1.058 1356 I HN 0.307 nan 8.210 nan 0.000 0.400 1357 A N 0.762 123.395 122.820 -0.310 0.000 2.648 1357 A HA 0.217 4.527 4.320 -0.017 0.000 0.269 1357 A C 1.698 179.222 177.584 -0.100 0.000 1.392 1357 A CA 0.026 51.866 52.037 -0.329 0.000 1.019 1357 A CB -0.551 17.918 19.000 -0.885 0.000 1.009 1357 A HN 0.437 nan 8.150 nan 0.000 0.565 1358 S N 0.917 116.593 115.700 -0.041 0.000 2.297 1358 S HA -0.044 4.416 4.470 -0.017 0.000 0.200 1358 S C 0.783 175.391 174.600 0.014 0.000 1.011 1358 S CA 0.655 58.868 58.200 0.022 0.000 0.938 1358 S CB -0.401 62.811 63.200 0.020 0.000 0.924 1358 S HN 0.777 nan 8.310 nan 0.000 0.504 1359 D N 1.182 121.580 120.400 -0.003 0.000 3.057 1359 D HA 0.414 5.044 4.640 -0.017 0.000 0.246 1359 D C 1.028 177.318 176.300 -0.015 0.000 1.238 1359 D CA 0.447 54.443 54.000 -0.006 0.000 0.949 1359 D CB -0.113 40.683 40.800 -0.007 0.000 1.086 1359 D HN 0.582 nan 8.370 nan 0.000 0.487 1360 G N 0.494 109.287 108.800 -0.012 0.000 2.399 1360 G HA2 -0.285 3.665 3.960 -0.017 0.000 0.216 1360 G HA3 -0.285 3.665 3.960 -0.017 0.000 0.216 1360 G C 0.559 175.457 174.900 -0.003 0.000 1.096 1360 G CA -0.051 45.041 45.100 -0.014 0.000 0.650 1360 G HN 0.473 nan 8.290 nan 0.000 0.512 1361 S N 0.479 116.169 115.700 -0.017 0.000 2.558 1361 S HA 0.418 4.878 4.470 -0.017 0.000 0.291 1361 S C -0.493 174.117 174.600 0.018 0.000 1.306 1361 S CA 0.685 58.877 58.200 -0.015 0.000 1.056 1361 S CB 0.792 63.956 63.200 -0.059 0.000 0.836 1361 S HN 0.959 nan 8.310 nan 0.000 0.504 1362 Y N 2.513 122.750 120.300 -0.104 0.000 2.354 1362 Y HA 0.517 5.057 4.550 -0.017 0.000 0.330 1362 Y C -1.259 174.606 175.900 -0.058 0.000 1.011 1362 Y CA -0.743 57.297 58.100 -0.101 0.000 1.099 1362 Y CB 0.890 39.317 38.460 -0.055 0.000 1.179 1362 Y HN 0.377 nan 8.280 nan 0.000 0.442 1363 V N 5.737 125.252 119.914 -0.665 0.000 2.495 1363 V HA 0.284 4.394 4.120 -0.017 0.000 0.298 1363 V C -0.317 175.320 176.094 -0.760 0.000 1.031 1363 V CA -1.205 60.767 62.300 -0.546 0.000 0.871 1363 V CB 1.727 33.403 31.823 -0.245 0.000 0.988 1363 V HN 0.823 nan 8.190 nan 0.000 0.432 1364 N N 2.792 121.187 118.700 -0.509 0.000 2.427 1364 N HA 0.044 4.774 4.740 -0.017 0.000 0.269 1364 N C 0.969 176.462 175.510 -0.028 0.000 1.235 1364 N CA -0.009 52.899 53.050 -0.236 0.000 0.934 1364 N CB 0.074 38.564 38.487 0.004 0.000 1.121 1364 N HN 0.715 nan 8.380 nan 0.000 0.480 1365 Y N 4.623 124.935 120.300 0.020 0.000 2.362 1365 Y HA -0.573 3.967 4.550 -0.017 0.000 0.206 1365 Y C 2.098 177.995 175.900 -0.006 0.000 1.341 1365 Y CA 2.975 61.159 58.100 0.141 0.000 0.910 1365 Y CB -0.437 38.121 38.460 0.163 0.000 0.696 1365 Y HN 0.705 nan 8.280 nan 0.000 0.560 1366 R N -1.429 119.080 120.500 0.015 0.000 2.227 1366 R HA -0.328 4.002 4.340 -0.017 0.000 0.259 1366 R C 1.766 177.840 176.300 -0.378 0.000 1.139 1366 R CA 2.135 58.059 56.100 -0.294 0.000 0.969 1366 R CB -1.579 28.474 30.300 -0.412 0.000 0.903 1366 R HN 0.585 nan 8.270 nan 0.000 0.452 1367 H N 0.786 119.787 119.070 -0.116 0.000 2.256 1367 H HA 0.046 4.592 4.556 -0.016 0.000 0.301 1367 H C 2.470 177.710 175.328 -0.147 0.000 1.062 1367 H CA 1.774 57.752 56.048 -0.117 0.000 1.283 1367 H CB -0.550 29.159 29.762 -0.088 0.000 1.379 1367 H HN 0.187 nan 8.280 nan 0.000 0.493 1368 M N 0.587 120.180 119.600 -0.012 0.000 2.088 1368 M HA -0.233 4.237 4.480 -0.017 0.000 0.256 1368 M C 2.761 179.020 176.300 -0.068 0.000 1.071 1368 M CA 1.778 57.032 55.300 -0.077 0.000 1.097 1368 M CB -0.506 32.009 32.600 -0.142 0.000 1.315 1368 M HN 0.296 nan 8.290 nan 0.000 0.406 1369 A N 0.739 123.451 122.820 -0.179 0.000 1.870 1369 A HA -0.243 4.067 4.320 -0.017 0.000 0.219 1369 A C 2.176 179.648 177.584 -0.187 0.000 1.224 1369 A CA 1.970 53.813 52.037 -0.323 0.000 0.650 1369 A CB -1.288 17.273 19.000 -0.732 0.000 0.836 1369 A HN 0.534 nan 8.150 nan 0.000 0.454 1370 L N -0.500 120.608 121.223 -0.192 0.000 2.013 1370 L HA -0.197 4.133 4.340 -0.017 0.000 0.212 1370 L C 2.541 179.349 176.870 -0.103 0.000 1.073 1370 L CA 2.788 57.540 54.840 -0.147 0.000 0.753 1370 L CB -1.128 40.853 42.059 -0.129 0.000 0.890 1370 L HN 0.560 nan 8.230 nan 0.000 0.432 1371 L N -0.319 120.850 121.223 -0.090 0.000 1.944 1371 L HA -0.215 4.116 4.340 -0.017 0.000 0.218 1371 L C 2.494 179.316 176.870 -0.079 0.000 1.075 1371 L CA 2.211 56.996 54.840 -0.092 0.000 0.767 1371 L CB -1.136 40.867 42.059 -0.094 0.000 0.890 1371 L HN 0.029 nan 8.230 nan 0.000 0.434 1372 V N 0.662 120.537 119.914 -0.065 0.000 2.250 1372 V HA -0.432 3.678 4.120 -0.017 0.000 0.253 1372 V C 2.470 178.543 176.094 -0.035 0.000 1.065 1372 V CA 2.347 64.623 62.300 -0.040 0.000 1.039 1372 V CB -0.981 30.846 31.823 0.008 0.000 0.647 1372 V HN 0.618 nan 8.190 nan 0.000 0.446 1373 D N -0.320 120.050 120.400 -0.050 0.000 2.116 1373 D HA -0.153 4.477 4.640 -0.017 0.000 0.193 1373 D C 2.141 178.418 176.300 -0.039 0.000 0.998 1373 D CA 1.800 55.774 54.000 -0.043 0.000 0.836 1373 D CB -0.341 40.421 40.800 -0.064 0.000 0.951 1373 D HN 0.384 nan 8.370 nan 0.000 0.449 1374 V N 1.246 121.126 119.914 -0.058 0.000 2.332 1374 V HA -0.267 3.843 4.120 -0.017 0.000 0.248 1374 V C 2.601 178.679 176.094 -0.026 0.000 1.055 1374 V CA 1.410 63.675 62.300 -0.059 0.000 1.038 1374 V CB -0.477 31.286 31.823 -0.100 0.000 0.651 1374 V HN 0.216 nan 8.190 nan 0.000 0.450 1375 M N -0.644 118.946 119.600 -0.016 0.000 2.149 1375 M HA -0.192 4.278 4.480 -0.017 0.000 0.261 1375 M C 2.315 178.642 176.300 0.045 0.000 1.064 1375 M CA 2.136 57.453 55.300 0.027 0.000 1.102 1375 M CB -0.585 32.032 32.600 0.028 0.000 1.369 1375 M HN 0.353 nan 8.290 nan 0.000 0.408 1376 T N -0.367 114.204 114.554 0.030 0.000 2.978 1376 T HA -0.050 4.290 4.350 -0.017 0.000 0.262 1376 T C 1.793 176.518 174.700 0.042 0.000 1.063 1376 T CA 1.709 63.835 62.100 0.044 0.000 1.140 1376 T CB -0.112 68.779 68.868 0.038 0.000 0.886 1376 T HN 0.575 nan 8.240 nan 0.000 0.470 1377 T N -0.458 114.113 114.554 0.028 0.000 2.985 1377 T HA 0.003 4.343 4.350 -0.017 0.000 0.266 1377 T C 1.858 176.578 174.700 0.034 0.000 1.076 1377 T CA 0.739 62.856 62.100 0.027 0.000 1.135 1377 T CB -0.338 68.533 68.868 0.005 0.000 0.890 1377 T HN 0.305 nan 8.240 nan 0.000 0.480 1378 Q N 1.064 120.886 119.800 0.038 0.000 2.364 1378 Q HA 0.072 4.402 4.340 -0.017 0.000 0.209 1378 Q C 1.666 177.693 176.000 0.045 0.000 0.977 1378 Q CA 1.277 57.105 55.803 0.043 0.000 0.885 1378 Q CB -0.302 28.468 28.738 0.054 0.000 0.941 1378 Q HN 0.839 nan 8.270 nan 0.000 0.464 1379 G N -1.775 107.054 108.800 0.048 0.000 3.826 1379 G HA2 -0.146 3.804 3.960 -0.017 0.000 0.194 1379 G HA3 -0.146 3.804 3.960 -0.017 0.000 0.194 1379 G C 0.329 175.259 174.900 0.051 0.000 2.087 1379 G CA -0.173 44.955 45.100 0.047 0.000 1.230 1379 G HN 0.533 nan 8.290 nan 0.000 0.393 1380 G N -0.031 108.802 108.800 0.055 0.000 2.849 1380 G HA2 0.610 4.560 3.960 -0.017 0.000 0.174 1380 G HA3 0.610 4.560 3.960 -0.017 0.000 0.174 1380 G C -0.419 174.528 174.900 0.078 0.000 1.370 1380 G CA -0.692 44.445 45.100 0.062 0.000 1.040 1380 G HN 0.626 nan 8.290 nan 0.000 0.582 1381 L N 1.322 122.599 121.223 0.091 0.000 2.264 1381 L HA 0.348 4.678 4.340 -0.017 0.000 0.289 1381 L C -0.250 176.687 176.870 0.112 0.000 1.044 1381 L CA -0.339 54.573 54.840 0.120 0.000 0.807 1381 L CB 1.435 43.596 42.059 0.169 0.000 1.192 1381 L HN 0.289 nan 8.230 nan 0.000 0.425 1382 T N 1.157 115.781 114.554 0.116 0.000 2.749 1382 T HA 0.223 4.563 4.350 -0.017 0.000 0.287 1382 T C 0.345 175.145 174.700 0.167 0.000 0.970 1382 T CA -0.650 61.529 62.100 0.131 0.000 0.980 1382 T CB 1.197 70.144 68.868 0.132 0.000 0.924 1382 T HN 0.684 nan 8.240 nan 0.000 0.456 1383 S N 2.029 117.833 115.700 0.172 0.000 2.568 1383 S HA 0.147 4.607 4.470 -0.017 0.000 0.282 1383 S C 0.538 175.320 174.600 0.303 0.000 1.338 1383 S CA -0.867 57.451 58.200 0.196 0.000 1.045 1383 S CB 0.344 63.647 63.200 0.171 0.000 0.873 1383 S HN 0.464 nan 8.310 nan 0.000 0.516 1384 V N 3.649 123.736 119.914 0.287 0.000 2.052 1384 V HA 0.280 4.390 4.120 -0.017 0.000 0.281 1384 V C 0.257 176.608 176.094 0.428 0.000 1.668 1384 V CA -0.094 62.463 62.300 0.429 0.000 1.621 1384 V CB -1.725 30.188 31.823 0.151 0.000 1.488 1384 V HN 1.068 nan 8.190 nan 0.000 0.513 1385 T N -0.772 113.949 114.554 0.278 0.000 2.787 1385 T HA 0.346 4.686 4.350 -0.017 0.000 0.297 1385 T C 1.151 175.678 174.700 -0.288 0.000 1.221 1385 T CA -0.925 61.245 62.100 0.116 0.000 1.006 1385 T CB 1.764 70.713 68.868 0.135 0.000 1.328 1385 T HN 0.375 nan 8.240 nan 0.000 0.509 1386 R N 0.557 120.975 120.500 -0.137 0.000 2.140 1386 R HA -0.274 4.056 4.340 -0.017 0.000 0.250 1386 R C 1.472 177.583 176.300 -0.316 0.000 1.150 1386 R CA 2.364 58.319 56.100 -0.242 0.000 0.966 1386 R CB -1.224 28.919 30.300 -0.262 0.000 0.869 1386 R HN 0.742 nan 8.270 nan 0.000 0.445 1387 H N 0.474 119.469 119.070 -0.126 0.000 2.290 1387 H HA -0.032 4.514 4.556 -0.016 0.000 0.298 1387 H C 2.257 177.515 175.328 -0.117 0.000 1.087 1387 H CA 1.406 57.402 56.048 -0.086 0.000 1.291 1387 H CB -0.387 29.354 29.762 -0.034 0.000 1.369 1387 H HN 0.461 nan 8.280 nan 0.000 0.492 1388 G N 0.566 109.354 108.800 -0.020 0.000 2.587 1388 G HA2 -0.188 3.762 3.960 -0.017 0.000 0.197 1388 G HA3 -0.188 3.762 3.960 -0.017 0.000 0.197 1388 G C 1.279 176.127 174.900 -0.086 0.000 1.540 1388 G CA 0.576 45.669 45.100 -0.012 0.000 0.910 1388 G HN 0.480 nan 8.290 nan 0.000 0.437 1389 F N 0.793 120.760 119.950 0.029 0.000 2.307 1389 F HA 0.066 4.583 4.527 -0.017 0.000 0.301 1389 F C 1.022 176.815 175.800 -0.013 0.000 1.076 1389 F CA 0.501 58.493 58.000 -0.012 0.000 1.383 1389 F CB -0.864 38.097 39.000 -0.064 0.000 1.055 1389 F HN -0.056 nan 8.300 nan 0.000 0.526 1390 N N 1.119 119.519 118.700 -0.499 0.000 3.178 1390 N HA 0.202 4.932 4.740 -0.017 0.000 0.300 1390 N C 0.900 176.362 175.510 -0.081 0.000 1.242 1390 N CA 0.109 53.039 53.050 -0.200 0.000 1.192 1390 N CB 0.108 38.471 38.487 -0.206 0.000 1.463 1390 N HN 0.577 nan 8.380 nan 0.000 0.539 1391 R N -1.305 119.187 120.500 -0.013 0.000 2.303 1391 R HA -0.004 4.326 4.340 -0.017 0.000 0.058 1391 R C -0.551 175.768 176.300 0.031 0.000 0.827 1391 R CA 0.430 56.534 56.100 0.008 0.000 2.966 1391 R CB -0.687 29.619 30.300 0.010 0.000 1.253 1391 R HN 0.095 nan 8.270 nan 0.000 0.527 1392 S N 2.842 118.572 115.700 0.051 0.000 3.404 1392 S HA -0.063 4.397 4.470 -0.017 0.000 0.219 1392 S C 0.219 174.848 174.600 0.048 0.000 0.894 1392 S CA 0.679 58.915 58.200 0.059 0.000 1.461 1392 S CB -1.714 61.536 63.200 0.084 0.000 1.513 1392 S HN 0.647 nan 8.310 nan 0.000 0.564 1393 N N -0.632 118.091 118.700 0.038 0.000 2.586 1393 N HA -0.289 4.441 4.740 -0.017 0.000 0.244 1393 N C -0.061 175.469 175.510 0.033 0.000 1.215 1393 N CA 1.711 54.780 53.050 0.032 0.000 0.796 1393 N CB -2.449 36.056 38.487 0.030 0.000 1.185 1393 N HN 0.634 nan 8.380 nan 0.000 0.577 1394 T N -1.272 113.306 114.554 0.040 0.000 2.726 1394 T HA 0.477 4.817 4.350 -0.017 0.000 0.294 1394 T C 1.293 176.020 174.700 0.044 0.000 1.013 1394 T CA -0.219 61.906 62.100 0.041 0.000 0.996 1394 T CB 0.491 69.387 68.868 0.047 0.000 1.016 1394 T HN 0.487 nan 8.240 nan 0.000 0.529 1395 G N -0.615 108.214 108.800 0.047 0.000 2.368 1395 G HA2 0.333 4.283 3.960 -0.017 0.000 0.233 1395 G HA3 0.333 4.283 3.960 -0.017 0.000 0.233 1395 G C 1.052 175.997 174.900 0.074 0.000 1.267 1395 G CA -0.193 44.946 45.100 0.064 0.000 0.873 1395 G HN 0.910 nan 8.290 nan 0.000 0.539 1396 A N 2.262 125.151 122.820 0.115 0.000 1.840 1396 A HA 0.014 4.324 4.320 -0.017 0.000 0.214 1396 A C 2.469 180.081 177.584 0.048 0.000 1.198 1396 A CA 1.317 53.392 52.037 0.063 0.000 0.608 1396 A CB -0.478 18.546 19.000 0.040 0.000 0.839 1396 A HN 0.629 nan 8.150 nan 0.000 0.443 1397 L N -0.663 120.642 121.223 0.138 0.000 2.081 1397 L HA -0.263 4.067 4.340 -0.017 0.000 0.212 1397 L C 2.836 179.747 176.870 0.067 0.000 1.080 1397 L CA 2.018 56.924 54.840 0.110 0.000 0.754 1397 L CB -0.569 41.585 42.059 0.158 0.000 0.893 1397 L HN 0.642 nan 8.230 nan 0.000 0.433 1398 M N -0.261 119.379 119.600 0.067 0.000 2.117 1398 M HA -0.218 4.252 4.480 -0.017 0.000 0.262 1398 M C 2.439 178.781 176.300 0.070 0.000 1.065 1398 M CA 1.765 57.099 55.300 0.057 0.000 1.114 1398 M CB -0.129 32.498 32.600 0.044 0.000 1.361 1398 M HN 0.082 nan 8.290 nan 0.000 0.408 1399 R N -0.582 119.957 120.500 0.064 0.000 2.189 1399 R HA -0.132 4.198 4.340 -0.017 0.000 0.223 1399 R C 2.444 178.788 176.300 0.073 0.000 1.092 1399 R CA 1.301 57.447 56.100 0.076 0.000 0.989 1399 R CB -0.755 29.572 30.300 0.045 0.000 0.876 1399 R HN 0.566 nan 8.270 nan 0.000 0.457 1400 C N 1.134 120.453 119.300 0.031 0.000 2.446 1400 C HA -0.000 4.450 4.460 -0.017 0.000 0.279 1400 C C 1.959 176.972 174.990 0.038 0.000 1.366 1400 C CA 1.046 60.063 59.018 -0.001 0.000 1.763 1400 C CB -0.682 27.033 27.740 -0.041 0.000 1.929 1400 C HN 0.453 nan 8.230 nan 0.000 0.509 1401 S N -0.944 114.806 115.700 0.084 0.000 2.677 1401 S HA 0.228 4.688 4.470 -0.017 0.000 0.246 1401 S C 0.246 174.978 174.600 0.220 0.000 1.005 1401 S CA -0.363 57.901 58.200 0.106 0.000 1.062 1401 S CB -0.393 62.858 63.200 0.086 0.000 0.778 1401 S HN 0.623 nan 8.310 nan 0.000 0.461 1402 F N 1.610 121.571 119.950 0.019 0.000 2.123 1402 F HA 0.516 5.033 4.527 -0.017 0.000 0.207 1402 F C 1.622 177.435 175.800 0.022 0.000 1.198 1402 F CA -0.190 57.837 58.000 0.044 0.000 1.265 1402 F CB -0.103 38.950 39.000 0.087 0.000 1.722 1402 F HN 0.110 nan 8.300 nan 0.000 0.351 1403 E N -0.388 119.554 120.200 -0.430 0.000 2.290 1403 E HA 0.099 4.439 4.350 -0.017 0.000 0.195 1403 E C -0.219 176.238 176.600 -0.239 0.000 0.938 1403 E CA -0.148 55.941 56.400 -0.519 0.000 1.018 1403 E CB 0.170 29.422 29.700 -0.747 0.000 1.042 1403 E HN 0.317 nan 8.360 nan 0.000 0.483 1404 E N 0.819 120.920 120.200 -0.164 0.000 2.354 1404 E HA 0.084 4.424 4.350 -0.017 0.000 0.269 1404 E C -0.142 176.403 176.600 -0.091 0.000 1.036 1404 E CA 0.201 56.531 56.400 -0.115 0.000 0.876 1404 E CB 1.583 31.227 29.700 -0.094 0.000 1.009 1404 E HN 0.152 nan 8.360 nan 0.000 0.416 1405 T N 0.713 115.203 114.554 -0.107 0.000 3.400 1405 T HA 0.014 4.354 4.350 -0.017 0.000 0.228 1405 T C 1.769 176.360 174.700 -0.182 0.000 0.992 1405 T CA -0.050 61.978 62.100 -0.120 0.000 1.222 1405 T CB -0.249 68.548 68.868 -0.118 0.000 1.236 1405 T HN 0.212 nan 8.240 nan 0.000 0.357 1406 V N 3.795 123.568 119.914 -0.235 0.000 2.223 1406 V HA -0.165 3.945 4.120 -0.017 0.000 0.244 1406 V C 2.856 178.679 176.094 -0.451 0.000 1.045 1406 V CA 2.173 64.209 62.300 -0.441 0.000 1.000 1406 V CB -0.972 30.563 31.823 -0.479 0.000 0.635 1406 V HN 0.652 nan 8.190 nan 0.000 0.445 1407 E N 0.818 120.915 120.200 -0.172 0.000 2.301 1407 E HA -0.263 4.077 4.350 -0.017 0.000 0.202 1407 E C 2.090 178.692 176.600 0.004 0.000 1.017 1407 E CA 1.886 58.325 56.400 0.066 0.000 0.831 1407 E CB -0.574 29.172 29.700 0.078 0.000 0.742 1407 E HN 0.543 nan 8.360 nan 0.000 0.491 1408 I N 1.065 121.578 120.570 -0.095 0.000 2.233 1408 I HA -0.159 4.002 4.170 -0.017 0.000 0.243 1408 I C 2.745 178.753 176.117 -0.181 0.000 1.093 1408 I CA 0.726 61.962 61.300 -0.107 0.000 1.380 1408 I CB -0.923 37.016 38.000 -0.101 0.000 1.067 1408 I HN 0.110 nan 8.210 nan 0.000 0.413 1409 L N -0.371 120.688 121.223 -0.274 0.000 2.093 1409 L HA -0.176 4.154 4.340 -0.017 0.000 0.208 1409 L C 2.650 179.393 176.870 -0.211 0.000 1.085 1409 L CA 1.279 55.881 54.840 -0.396 0.000 0.755 1409 L CB -0.585 41.228 42.059 -0.410 0.000 0.904 1409 L HN 0.075 nan 8.230 nan 0.000 0.435 1410 F N 0.946 120.816 119.950 -0.134 0.000 2.043 1410 F HA -0.323 4.195 4.527 -0.016 0.000 0.297 1410 F C 2.748 178.591 175.800 0.072 0.000 1.121 1410 F CA 1.599 59.573 58.000 -0.044 0.000 1.199 1410 F CB -0.189 38.746 39.000 -0.108 0.000 0.968 1410 F HN 0.238 nan 8.300 nan 0.000 0.478 1411 E N 0.777 121.097 120.200 0.200 0.000 2.150 1411 E HA -0.165 4.175 4.350 -0.017 0.000 0.193 1411 E C 2.076 178.640 176.600 -0.060 0.000 0.985 1411 E CA 0.948 57.376 56.400 0.046 0.000 0.814 1411 E CB -0.459 29.234 29.700 -0.012 0.000 0.752 1411 E HN 0.338 nan 8.360 nan 0.000 0.466 1412 A N 1.717 124.463 122.820 -0.124 0.000 1.908 1412 A HA -0.089 4.221 4.320 -0.017 0.000 0.218 1412 A C 2.548 180.077 177.584 -0.092 0.000 1.181 1412 A CA 1.761 53.665 52.037 -0.221 0.000 0.627 1412 A CB -1.377 17.237 19.000 -0.643 0.000 0.818 1412 A HN 0.443 nan 8.150 nan 0.000 0.445 1413 G N -1.257 107.521 108.800 -0.036 0.000 2.471 1413 G HA2 0.140 4.090 3.960 -0.017 0.000 0.219 1413 G HA3 0.140 4.090 3.960 -0.017 0.000 0.219 1413 G C 1.504 176.438 174.900 0.057 0.000 1.125 1413 G CA 1.334 46.505 45.100 0.119 0.000 0.775 1413 G HN 0.763 nan 8.290 nan 0.000 0.548 1414 A N 0.665 123.470 122.820 -0.025 0.000 1.862 1414 A HA 0.238 4.548 4.320 -0.017 0.000 0.211 1414 A C 2.405 179.704 177.584 -0.475 0.000 1.220 1414 A CA 1.518 53.391 52.037 -0.273 0.000 0.616 1414 A CB -0.400 18.416 19.000 -0.307 0.000 0.878 1414 A HN 0.198 nan 8.150 nan 0.000 0.453 1415 S N 0.046 115.500 115.700 -0.409 0.000 2.653 1415 S HA 0.311 4.771 4.470 -0.017 0.000 0.233 1415 S C 1.014 175.459 174.600 -0.258 0.000 0.970 1415 S CA 0.757 58.689 58.200 -0.446 0.000 0.947 1415 S CB -0.592 62.431 63.200 -0.296 0.000 0.771 1415 S HN 1.641 nan 8.310 nan 0.000 0.538 1416 A N 1.245 123.967 122.820 -0.164 0.000 2.687 1416 A HA -0.221 4.089 4.320 -0.017 0.000 0.299 1416 A C 0.216 177.785 177.584 -0.024 0.000 1.497 1416 A CA 0.588 52.596 52.037 -0.047 0.000 0.751 1416 A CB -1.901 17.108 19.000 0.016 0.000 1.048 1416 A HN 0.596 nan 8.150 nan 0.000 0.464 1417 E N -1.228 118.987 120.200 0.025 0.000 2.376 1417 E HA 0.338 4.678 4.350 -0.017 0.000 0.266 1417 E C 0.059 176.713 176.600 0.090 0.000 1.009 1417 E CA -0.293 56.148 56.400 0.069 0.000 0.902 1417 E CB 0.600 30.355 29.700 0.093 0.000 0.972 1417 E HN 0.625 nan 8.360 nan 0.000 0.439 1418 L N 3.702 124.932 121.223 0.013 0.000 2.289 1418 L HA 0.254 4.584 4.340 -0.017 0.000 0.285 1418 L C -0.610 176.260 176.870 -0.001 0.000 1.049 1418 L CA -0.172 54.639 54.840 -0.050 0.000 0.804 1418 L CB 1.359 43.382 42.059 -0.060 0.000 1.195 1418 L HN 0.378 nan 8.230 nan 0.000 0.428 1419 D N 2.401 122.775 120.400 -0.044 0.000 2.232 1419 D HA 0.141 4.771 4.640 -0.017 0.000 0.242 1419 D C 0.502 176.789 176.300 -0.022 0.000 1.093 1419 D CA -0.187 53.817 54.000 0.007 0.000 0.845 1419 D CB 1.209 42.010 40.800 0.002 0.000 1.124 1419 D HN 0.603 nan 8.370 nan 0.000 0.467 1420 D N 2.113 122.517 120.400 0.007 0.000 2.092 1420 D HA -0.149 4.481 4.640 -0.017 0.000 0.193 1420 D C 0.779 177.076 176.300 -0.005 0.000 0.994 1420 D CA 0.818 54.820 54.000 0.003 0.000 0.828 1420 D CB -0.072 40.737 40.800 0.016 0.000 0.963 1420 D HN 0.621 nan 8.370 nan 0.000 0.450 1421 C N -0.243 119.058 119.300 0.001 0.000 4.588 1421 C HA -0.119 4.331 4.460 -0.017 0.000 0.295 1421 C C 1.299 176.291 174.990 0.003 0.000 1.316 1421 C CA -0.196 58.820 59.018 -0.003 0.000 2.041 1421 C CB -2.243 25.484 27.740 -0.021 0.000 1.224 1421 C HN 0.386 nan 8.230 nan 0.000 0.779 1422 R N 0.107 120.615 120.500 0.012 0.000 2.419 1422 R HA 0.261 4.591 4.340 -0.017 0.000 0.235 1422 R C 1.091 177.400 176.300 0.014 0.000 0.899 1422 R CA 0.823 56.933 56.100 0.018 0.000 1.048 1422 R CB 0.361 30.680 30.300 0.032 0.000 1.182 1422 R HN 0.617 nan 8.270 nan 0.000 0.544 1423 G N 0.154 108.961 108.800 0.011 0.000 2.502 1423 G HA2 0.324 4.274 3.960 -0.017 0.000 0.305 1423 G HA3 0.324 4.274 3.960 -0.017 0.000 0.305 1423 G C 1.137 176.034 174.900 -0.005 0.000 1.190 1423 G CA -0.607 44.496 45.100 0.004 0.000 0.933 1423 G HN -0.168 nan 8.290 nan 0.000 0.503 1424 V N 0.834 120.739 119.914 -0.015 0.000 2.219 1424 V HA -0.222 3.888 4.120 -0.017 0.000 0.248 1424 V C 3.082 179.171 176.094 -0.008 0.000 1.053 1424 V CA 2.668 64.956 62.300 -0.020 0.000 1.009 1424 V CB -0.812 30.993 31.823 -0.029 0.000 0.636 1424 V HN 0.681 nan 8.190 nan 0.000 0.445 1425 S N -0.999 114.701 115.700 0.001 0.000 2.399 1425 S HA -0.229 4.231 4.470 -0.017 0.000 0.231 1425 S C 1.919 176.531 174.600 0.020 0.000 1.022 1425 S CA 1.499 59.707 58.200 0.014 0.000 0.983 1425 S CB -0.322 62.893 63.200 0.025 0.000 0.803 1425 S HN 0.639 nan 8.310 nan 0.000 0.480 1426 E N 1.805 122.017 120.200 0.020 0.000 2.070 1426 E HA -0.115 4.225 4.350 -0.017 0.000 0.197 1426 E C 1.685 178.293 176.600 0.013 0.000 1.004 1426 E CA 1.265 57.679 56.400 0.023 0.000 0.805 1426 E CB -0.077 29.635 29.700 0.019 0.000 0.744 1426 E HN 0.486 nan 8.360 nan 0.000 0.451 1427 N N -0.524 118.178 118.700 0.004 0.000 2.422 1427 N HA -0.049 4.681 4.740 -0.017 0.000 0.181 1427 N C 1.550 177.061 175.510 0.001 0.000 1.080 1427 N CA 0.228 53.278 53.050 -0.001 0.000 0.893 1427 N CB 0.536 39.017 38.487 -0.010 0.000 0.973 1427 N HN 0.029 nan 8.380 nan 0.000 0.456 1428 V N 1.770 121.687 119.914 0.004 0.000 2.379 1428 V HA -0.126 3.984 4.120 -0.017 0.000 0.245 1428 V C 2.179 178.282 176.094 0.015 0.000 1.044 1428 V CA 1.202 63.507 62.300 0.008 0.000 1.036 1428 V CB -0.138 31.690 31.823 0.008 0.000 0.664 1428 V HN 0.158 nan 8.190 nan 0.000 0.453 1429 I N -0.605 119.976 120.570 0.019 0.000 2.252 1429 I HA -0.216 3.944 4.170 -0.017 0.000 0.245 1429 I C 2.030 178.160 176.117 0.022 0.000 1.102 1429 I CA 1.526 62.841 61.300 0.025 0.000 1.385 1429 I CB -0.203 37.818 38.000 0.035 0.000 1.064 1429 I HN 0.221 nan 8.210 nan 0.000 0.414 1430 L N 0.679 121.911 121.223 0.016 0.000 2.552 1430 L HA 0.142 4.472 4.340 -0.017 0.000 0.227 1430 L C 1.022 177.898 176.870 0.009 0.000 1.146 1430 L CA 0.244 55.090 54.840 0.010 0.000 0.858 1430 L CB -0.597 41.462 42.059 0.001 0.000 0.969 1430 L HN 0.462 nan 8.230 nan 0.000 0.451 1431 G N 1.093 109.900 108.800 0.011 0.000 2.392 1431 G HA2 -0.247 3.704 3.960 -0.017 0.000 0.290 1431 G HA3 -0.247 3.704 3.960 -0.017 0.000 0.290 1431 G C -0.302 174.602 174.900 0.007 0.000 1.032 1431 G CA -0.027 45.080 45.100 0.011 0.000 1.269 1431 G HN 0.446 nan 8.290 nan 0.000 0.511 1432 Q N -0.615 119.185 119.800 0.000 0.000 2.462 1432 Q HA 0.548 4.878 4.340 -0.017 0.000 0.285 1432 Q C 0.282 176.273 176.000 -0.015 0.000 1.035 1432 Q CA -1.089 54.711 55.803 -0.006 0.000 0.799 1432 Q CB 1.526 30.259 28.738 -0.008 0.000 1.452 1432 Q HN 0.423 nan 8.270 nan 0.000 0.404 1433 M N 2.240 121.827 119.600 -0.021 0.000 2.628 1433 M HA 0.257 4.727 4.480 -0.017 0.000 0.326 1433 M C -0.715 175.557 176.300 -0.046 0.000 1.613 1433 M CA 0.020 55.298 55.300 -0.038 0.000 1.387 1433 M CB -0.245 32.328 32.600 -0.045 0.000 1.761 1433 M HN 0.732 nan 8.290 nan 0.000 0.459 1434 A N 6.950 129.742 122.820 -0.046 0.000 2.371 1434 A HA 0.467 4.777 4.320 -0.017 0.000 0.257 1434 A C -2.310 175.233 177.584 -0.069 0.000 1.089 1434 A CA -1.367 50.643 52.037 -0.046 0.000 0.794 1434 A CB -0.354 18.624 19.000 -0.036 0.000 1.029 1434 A HN 0.621 nan 8.150 nan 0.000 0.488 1435 P HA 0.054 nan 4.420 nan 0.000 0.245 1435 P C -0.099 177.142 177.300 -0.100 0.000 1.347 1435 P CA 0.774 63.826 63.100 -0.079 0.000 1.314 1435 P CB -0.212 31.464 31.700 -0.040 0.000 1.679 1436 I N 0.134 120.631 120.570 -0.121 0.000 4.791 1436 I HA 0.243 4.404 4.170 -0.017 0.000 0.235 1436 I C 1.986 178.020 176.117 -0.138 0.000 1.007 1436 I CA 0.645 61.874 61.300 -0.117 0.000 1.764 1436 I CB -0.373 37.570 38.000 -0.094 0.000 1.526 1436 I HN 0.208 nan 8.210 nan 0.000 0.462 1437 G N -0.544 108.173 108.800 -0.140 0.000 2.766 1437 G HA2 0.015 3.965 3.960 -0.017 0.000 0.201 1437 G HA3 0.015 3.965 3.960 -0.017 0.000 0.201 1437 G C 1.119 175.922 174.900 -0.162 0.000 1.177 1437 G CA 0.473 45.501 45.100 -0.121 0.000 0.773 1437 G HN 0.252 nan 8.290 nan 0.000 0.648 1438 T N 1.124 115.569 114.554 -0.182 0.000 3.148 1438 T HA 0.229 4.569 4.350 -0.017 0.000 0.253 1438 T C 1.864 176.262 174.700 -0.504 0.000 1.134 1438 T CA 0.868 62.805 62.100 -0.270 0.000 1.051 1438 T CB 0.447 69.244 68.868 -0.118 0.000 0.959 1438 T HN 0.318 nan 8.240 nan 0.000 0.525 1439 G N 0.296 108.851 108.800 -0.410 0.000 3.044 1439 G HA2 0.405 4.356 3.960 -0.017 0.000 0.223 1439 G HA3 0.405 4.356 3.960 -0.017 0.000 0.223 1439 G C 1.537 176.229 174.900 -0.347 0.000 1.123 1439 G CA 0.396 45.291 45.100 -0.341 0.000 0.765 1439 G HN 0.464 nan 8.290 nan 0.000 0.546 1440 A N 0.966 123.545 122.820 -0.402 0.000 1.883 1440 A HA 0.252 4.562 4.320 -0.017 0.000 0.217 1440 A C 0.926 178.523 177.584 0.020 0.000 1.186 1440 A CA 0.806 52.777 52.037 -0.110 0.000 0.624 1440 A CB -0.562 18.507 19.000 0.114 0.000 0.822 1440 A HN 0.538 nan 8.150 nan 0.000 0.444 1441 F N -1.752 118.271 119.950 0.120 0.000 2.470 1441 F HA 0.725 5.242 4.527 -0.017 0.000 0.329 1441 F C -0.431 175.391 175.800 0.037 0.000 1.072 1441 F CA -1.909 56.135 58.000 0.073 0.000 0.989 1441 F CB 0.735 39.773 39.000 0.063 0.000 1.193 1441 F HN -0.136 nan 8.300 nan 0.000 0.481 1442 D N 1.105 121.617 120.400 0.186 0.000 2.217 1442 D HA 0.514 5.144 4.640 -0.017 0.000 0.248 1442 D C -0.899 175.493 176.300 0.153 0.000 1.008 1442 D CA -0.211 53.860 54.000 0.118 0.000 0.914 1442 D CB 2.623 43.460 40.800 0.062 0.000 1.182 1442 D HN 0.411 nan 8.370 nan 0.000 0.451 1443 V N 2.870 122.855 119.914 0.118 0.000 2.435 1443 V HA 0.453 4.564 4.120 -0.017 0.000 0.290 1443 V C 0.548 176.678 176.094 0.060 0.000 1.030 1443 V CA -0.645 61.717 62.300 0.102 0.000 0.881 1443 V CB 1.439 33.328 31.823 0.110 0.000 0.983 1443 V HN 0.493 nan 8.190 nan 0.000 0.445 1444 M N 3.766 123.392 119.600 0.044 0.000 2.642 1444 M HA 0.697 5.167 4.480 -0.017 0.000 0.274 1444 M C -0.792 175.522 176.300 0.022 0.000 1.052 1444 M CA -0.523 54.794 55.300 0.029 0.000 0.955 1444 M CB 1.823 34.436 32.600 0.022 0.000 1.638 1444 M HN 0.463 nan 8.290 nan 0.000 0.539 1445 I N 0.000 120.580 120.570 0.016 0.000 2.984 1445 I HA 0.000 4.160 4.170 -0.017 0.000 0.288 1445 I CA 0.000 61.308 61.300 0.013 0.000 1.566 1445 I CB 0.000 38.009 38.000 0.014 0.000 1.214 1445 I HN 0.000 nan 8.210 nan 0.000 0.494