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 1y1w_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 VPSEDDPTQL VSRGGCGNTQ PTIRKDGLKL VGSWKXXXXX XXXDEPELRV DATA SEQUENCE LSTEEILNIF KHISVKDFTS LGFNEVFSRP EWMILTCLPV PPPPVRPSIS DATA SEQUENCE FNESQRGEDD LTFKLADILK ANISLETLEH NGAPHHAIEE AESLLQFHVA DATA SEQUENCE TYMDNDIAGQ PQALQKSGRP 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 XXXXXXXXXX KKVTSGVPRL DATA SEQUENCE KEILNVAKNM KTPSLTVYLE PGHAADQEQA KLIRSAIEHT TLKSVTIASE DATA SEQUENCE IYYDPDPRST VIPEDEEIIQ LHFSLXXXXX XXXXXQQSPW LLRLELDRAA DATA SEQUENCE MNDKDLTMGQ VGERIKQTFK NDLFVIWSED NDEKLIIRCR 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 DVMIDEESLV DATA SEQUENCE KYMP 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 0.000 176.090 176.094 -0.007 0.000 1.182 2 V CA 0.000 62.292 62.300 -0.013 0.000 1.235 2 V CB 0.000 31.816 31.823 -0.012 0.000 1.184 3 G N 2.533 111.328 108.800 -0.009 0.000 2.579 3 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.222 3 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.222 3 G C 0.364 175.260 174.900 -0.008 0.000 1.201 3 G CA 1.386 46.481 45.100 -0.007 0.000 0.710 3 G HN 1.996 nan 8.290 nan 0.000 0.516 4 Q N -1.612 118.186 119.800 -0.004 0.000 0.376 4 Q HA -0.082 4.258 4.340 -0.000 0.000 0.254 4 Q C -0.277 175.733 176.000 0.017 0.000 1.090 4 Q CA 0.445 56.247 55.803 -0.002 0.000 0.314 4 Q CB -1.075 27.652 28.738 -0.018 0.000 5.512 4 Q HN 1.411 nan 8.270 nan 0.000 0.296 5 Q N -0.485 119.331 119.800 0.027 0.000 3.147 5 Q HA -0.228 4.112 4.340 -0.000 0.000 0.042 5 Q C -1.194 174.866 176.000 0.100 0.000 1.663 5 Q CA 0.995 56.829 55.803 0.051 0.000 0.283 5 Q CB -0.450 28.302 28.738 0.022 0.000 0.585 5 Q HN 0.479 nan 8.270 nan 0.000 0.322 6 Y N 2.540 122.828 120.300 -0.020 0.000 2.397 6 Y HA 0.349 4.899 4.550 -0.000 0.000 0.335 6 Y C -0.015 175.878 175.900 -0.012 0.000 1.213 6 Y CA 0.166 58.256 58.100 -0.017 0.000 1.391 6 Y CB 1.040 39.490 38.460 -0.016 0.000 1.293 6 Y HN 0.447 nan 8.280 nan 0.000 0.557 7 S N 2.455 117.938 115.700 -0.361 0.000 2.594 7 S HA 0.302 4.772 4.470 -0.000 0.000 0.296 7 S C 0.175 174.380 174.600 -0.658 0.000 1.124 7 S CA -0.225 57.685 58.200 -0.484 0.000 1.011 7 S CB 0.967 64.066 63.200 -0.168 0.000 1.016 7 S HN 0.912 nan 8.310 nan 0.000 0.485 8 S N 2.210 117.522 115.700 -0.646 0.000 2.653 8 S HA 0.214 4.684 4.470 -0.000 0.000 0.233 8 S C 0.839 175.353 174.600 -0.143 0.000 0.970 8 S CA 0.008 57.987 58.200 -0.367 0.000 0.947 8 S CB -0.765 62.292 63.200 -0.239 0.000 0.771 8 S HN 1.286 nan 8.310 nan 0.000 0.538 9 A N 3.602 126.345 122.820 -0.129 0.000 2.362 9 A HA 0.579 4.899 4.320 -0.000 0.000 0.276 9 A C -1.311 176.265 177.584 -0.014 0.000 1.153 9 A CA -1.676 50.326 52.037 -0.057 0.000 0.813 9 A CB -0.067 18.901 19.000 -0.054 0.000 1.081 9 A HN 0.446 nan 8.150 nan 0.000 0.507 10 P HA 0.232 nan 4.420 nan 0.000 0.271 10 P C -0.801 176.506 177.300 0.011 0.000 1.238 10 P CA -0.050 63.059 63.100 0.015 0.000 0.794 10 P CB 0.564 32.269 31.700 0.009 0.000 0.959 11 L N 0.416 121.649 121.223 0.017 0.000 2.409 11 L HA 0.585 4.925 4.340 -0.000 0.000 0.272 11 L C -0.391 176.481 176.870 0.004 0.000 0.980 11 L CA -0.474 54.372 54.840 0.010 0.000 0.826 11 L CB 1.849 43.919 42.059 0.019 0.000 1.268 11 L HN 0.330 nan 8.230 nan 0.000 0.407 12 R N 1.427 121.924 120.500 -0.005 0.000 2.922 12 R HA 0.728 5.068 4.340 -0.000 0.000 0.256 12 R C -0.909 175.382 176.300 -0.015 0.000 1.138 12 R CA -0.573 55.522 56.100 -0.009 0.000 0.995 12 R CB 2.042 32.336 30.300 -0.011 0.000 1.226 12 R HN 0.743 nan 8.270 nan 0.000 0.481 13 T N -1.593 112.951 114.554 -0.017 0.000 2.902 13 T HA 0.412 4.762 4.350 -0.000 0.000 0.283 13 T C 0.186 174.869 174.700 -0.030 0.000 1.009 13 T CA -0.763 61.323 62.100 -0.023 0.000 1.051 13 T CB 1.557 70.412 68.868 -0.020 0.000 0.999 13 T HN 0.120 nan 8.240 nan 0.000 0.474 14 V N 3.214 123.105 119.914 -0.037 0.000 2.614 14 V HA 0.214 4.334 4.120 -0.000 0.000 0.291 14 V C 1.036 177.102 176.094 -0.046 0.000 1.049 14 V CA -0.034 62.236 62.300 -0.050 0.000 1.038 14 V CB 0.932 32.719 31.823 -0.061 0.000 0.980 14 V HN 0.923 nan 8.190 nan 0.000 0.481 15 K N 2.744 123.114 120.400 -0.050 0.000 2.403 15 K HA 0.327 4.647 4.320 -0.000 0.000 0.199 15 K C 0.095 176.664 176.600 -0.051 0.000 1.199 15 K CA 0.174 56.437 56.287 -0.040 0.000 0.924 15 K CB 1.098 33.581 32.500 -0.028 0.000 1.137 15 K HN 0.676 nan 8.250 nan 0.000 0.510 16 E N 1.139 121.295 120.200 -0.073 0.000 2.343 16 E HA 0.410 4.760 4.350 -0.000 0.000 0.270 16 E C -1.285 175.215 176.600 -0.166 0.000 0.895 16 E CA -0.806 55.536 56.400 -0.096 0.000 0.767 16 E CB 3.177 32.832 29.700 -0.076 0.000 1.248 16 E HN -0.249 nan 8.360 nan 0.000 0.440 17 V N 2.474 122.245 119.914 -0.238 0.000 2.409 17 V HA 0.177 4.297 4.120 -0.000 0.000 0.290 17 V C -0.567 175.182 176.094 -0.576 0.000 1.017 17 V CA -0.822 61.216 62.300 -0.437 0.000 0.841 17 V CB 1.488 32.998 31.823 -0.522 0.000 1.003 17 V HN 0.559 nan 8.190 nan 0.000 0.426 18 Q N 4.044 123.511 119.800 -0.555 0.000 2.390 18 Q HA 0.453 4.793 4.340 -0.000 0.000 0.249 18 Q C -0.941 174.699 176.000 -0.600 0.000 0.996 18 Q CA -0.148 55.349 55.803 -0.510 0.000 0.899 18 Q CB 1.307 29.730 28.738 -0.525 0.000 1.216 18 Q HN 0.642 nan 8.270 nan 0.000 0.465 19 F N 1.182 121.018 119.950 -0.190 0.000 2.444 19 F HA 0.443 4.970 4.527 -0.000 0.000 0.360 19 F C 1.219 176.909 175.800 -0.182 0.000 1.106 19 F CA -0.164 57.732 58.000 -0.173 0.000 1.170 19 F CB 1.157 40.106 39.000 -0.084 0.000 1.113 19 F HN 0.461 nan 8.300 nan 0.000 0.521 20 G N 3.577 112.326 108.800 -0.085 0.000 3.211 20 G HA2 0.815 4.775 3.960 -0.000 0.000 0.262 20 G HA3 0.815 4.775 3.960 -0.000 0.000 0.262 20 G C -1.503 173.338 174.900 -0.098 0.000 1.352 20 G CA -0.840 44.189 45.100 -0.119 0.000 1.004 20 G HN 0.444 nan 8.290 nan 0.000 0.559 21 L N -0.471 120.660 121.223 -0.153 0.000 2.371 21 L HA 0.472 4.812 4.340 -0.000 0.000 0.262 21 L C -1.056 175.597 176.870 -0.361 0.000 1.006 21 L CA -0.724 54.050 54.840 -0.110 0.000 0.818 21 L CB 2.803 44.943 42.059 0.134 0.000 1.354 21 L HN 0.425 nan 8.230 nan 0.000 0.415 22 F N 0.997 120.773 119.950 -0.289 0.000 2.438 22 F HA 0.138 4.665 4.527 -0.000 0.000 0.356 22 F C 0.786 176.211 175.800 -0.626 0.000 1.099 22 F CA -0.447 57.321 58.000 -0.387 0.000 1.185 22 F CB 1.482 40.360 39.000 -0.204 0.000 1.115 22 F HN 0.455 nan 8.300 nan 0.000 0.526 23 S N 5.741 121.140 115.700 -0.501 0.000 2.465 23 S HA 0.187 4.657 4.470 -0.000 0.000 0.279 23 S C -1.650 172.973 174.600 0.038 0.000 1.201 23 S CA -1.428 56.461 58.200 -0.519 0.000 1.053 23 S CB 1.181 64.228 63.200 -0.254 0.000 0.953 23 S HN 0.464 nan 8.310 nan 0.000 0.488 24 P HA -0.216 nan 4.420 nan 0.000 0.218 24 P C 0.716 178.077 177.300 0.101 0.000 1.147 24 P CA 1.414 64.594 63.100 0.133 0.000 0.827 24 P CB 0.206 32.017 31.700 0.185 0.000 0.778 25 E N -0.058 120.231 120.200 0.149 0.000 2.072 25 E HA -0.146 4.204 4.350 -0.000 0.000 0.190 25 E C 2.234 178.863 176.600 0.048 0.000 0.982 25 E CA 1.024 57.489 56.400 0.107 0.000 0.803 25 E CB -0.582 29.210 29.700 0.152 0.000 0.755 25 E HN 0.446 nan 8.360 nan 0.000 0.453 26 E N 0.373 120.602 120.200 0.049 0.000 2.028 26 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 26 E C 1.978 178.523 176.600 -0.092 0.000 0.988 26 E CA 1.301 57.719 56.400 0.029 0.000 0.799 26 E CB 0.025 29.802 29.700 0.128 0.000 0.755 26 E HN 0.031 nan 8.360 nan 0.000 0.447 27 V N 1.582 121.361 119.914 -0.226 0.000 2.311 27 V HA -0.384 3.736 4.120 -0.000 0.000 0.256 27 V C 2.508 178.461 176.094 -0.235 0.000 1.077 27 V CA 2.521 64.574 62.300 -0.411 0.000 1.067 27 V CB -0.697 30.936 31.823 -0.317 0.000 0.659 27 V HN 0.314 nan 8.190 nan 0.000 0.451 28 R N -0.206 120.195 120.500 -0.165 0.000 2.064 28 R HA -0.087 4.253 4.340 -0.000 0.000 0.228 28 R C 2.541 178.696 176.300 -0.241 0.000 1.144 28 R CA 1.425 57.355 56.100 -0.284 0.000 0.932 28 R CB -0.929 29.279 30.300 -0.153 0.000 0.833 28 R HN 0.506 nan 8.270 nan 0.000 0.429 29 A N 1.871 124.616 122.820 -0.124 0.000 1.893 29 A HA -0.280 4.040 4.320 -0.000 0.000 0.222 29 A C 2.242 179.778 177.584 -0.079 0.000 1.309 29 A CA 2.104 54.095 52.037 -0.077 0.000 0.681 29 A CB -1.039 17.945 19.000 -0.027 0.000 0.842 29 A HN 0.304 nan 8.150 nan 0.000 0.468 30 I N -0.461 120.064 120.570 -0.074 0.000 2.151 30 I HA -0.186 3.984 4.170 -0.000 0.000 0.243 30 I C 1.752 177.852 176.117 -0.029 0.000 1.080 30 I CA 1.034 62.308 61.300 -0.044 0.000 1.339 30 I CB -0.477 37.487 38.000 -0.060 0.000 1.039 30 I HN 0.401 nan 8.210 nan 0.000 0.409 31 S N -0.060 115.595 115.700 -0.075 0.000 2.560 31 S HA 0.039 4.509 4.470 -0.000 0.000 0.276 31 S C 0.721 175.302 174.600 -0.031 0.000 1.350 31 S CA 0.215 58.395 58.200 -0.033 0.000 1.024 31 S CB 1.087 64.217 63.200 -0.117 0.000 0.864 31 S HN 0.248 nan 8.310 nan 0.000 0.536 32 V N 0.737 120.672 119.914 0.034 0.000 3.337 32 V HA 0.739 4.859 4.120 -0.000 0.000 0.307 32 V C 0.083 176.207 176.094 0.051 0.000 1.505 32 V CA 0.229 62.542 62.300 0.021 0.000 1.072 32 V CB -0.245 31.584 31.823 0.010 0.000 0.929 32 V HN 0.881 nan 8.190 nan 0.000 0.455 33 A N 0.556 123.438 122.820 0.104 0.000 2.330 33 A HA 0.852 5.172 4.320 -0.000 0.000 0.313 33 A C 0.506 178.231 177.584 0.236 0.000 1.124 33 A CA -0.543 51.571 52.037 0.130 0.000 0.774 33 A CB 1.878 20.935 19.000 0.096 0.000 1.198 33 A HN 0.072 nan 8.150 nan 0.000 0.465 34 K N 1.334 121.838 120.400 0.173 0.000 2.155 34 K HA 0.179 4.499 4.320 -0.000 0.000 0.203 34 K C 0.440 177.056 176.600 0.027 0.000 1.052 34 K CA 0.506 56.891 56.287 0.163 0.000 0.948 34 K CB -0.503 32.075 32.500 0.131 0.000 0.728 34 K HN 0.784 nan 8.250 nan 0.000 0.448 35 I N 1.566 122.174 120.570 0.064 0.000 6.390 35 I HA -0.408 3.762 4.170 -0.000 0.000 0.126 35 I C 0.667 176.792 176.117 0.013 0.000 1.533 35 I CA 0.249 61.572 61.300 0.039 0.000 2.474 35 I CB -0.623 37.365 38.000 -0.020 0.000 2.913 35 I HN 0.222 nan 8.210 nan 0.000 0.284 36 R N 1.728 122.286 120.500 0.097 0.000 2.123 36 R HA 0.220 4.560 4.340 -0.000 0.000 0.209 36 R C 0.465 176.689 176.300 -0.127 0.000 1.078 36 R CA 0.637 56.697 56.100 -0.067 0.000 1.028 36 R CB 0.197 30.387 30.300 -0.185 0.000 0.939 36 R HN 0.235 nan 8.270 nan 0.000 0.463 37 F N 1.388 121.323 119.950 -0.025 0.000 2.370 37 F HA 0.234 4.761 4.527 -0.000 0.000 0.324 37 F C -1.250 174.539 175.800 -0.019 0.000 1.116 37 F CA -2.553 55.435 58.000 -0.018 0.000 1.123 37 F CB 0.420 39.412 39.000 -0.012 0.000 1.238 37 F HN -0.120 nan 8.300 nan 0.000 0.536 38 P HA 0.067 nan 4.420 nan 0.000 0.251 38 P C -0.308 177.048 177.300 0.094 0.000 1.198 38 P CA 0.381 63.536 63.100 0.091 0.000 0.847 38 P CB 0.532 32.263 31.700 0.051 0.000 1.082 39 E N -0.064 120.204 120.200 0.114 0.000 2.455 39 E HA 0.040 4.390 4.350 -0.000 0.000 0.259 39 E C 0.715 177.350 176.600 0.059 0.000 1.245 39 E CA 0.504 56.950 56.400 0.078 0.000 1.013 39 E CB 0.174 29.916 29.700 0.070 0.000 0.978 39 E HN -0.017 nan 8.360 nan 0.000 0.479 40 T N -0.420 114.160 114.554 0.044 0.000 3.082 40 T HA 0.104 4.454 4.350 -0.000 0.000 0.235 40 T C 1.224 175.920 174.700 -0.006 0.000 0.991 40 T CA 0.746 62.863 62.100 0.028 0.000 1.220 40 T CB 0.213 69.108 68.868 0.043 0.000 0.909 40 T HN 0.372 nan 8.240 nan 0.000 0.424 41 M N -0.296 119.298 119.600 -0.010 0.000 2.120 41 M HA 0.326 4.806 4.480 -0.000 0.000 0.376 41 M C -1.143 175.136 176.300 -0.035 0.000 2.204 41 M CA -0.629 54.652 55.300 -0.032 0.000 1.494 41 M CB 0.216 32.801 32.600 -0.025 0.000 2.730 41 M HN -0.240 nan 8.290 nan 0.000 0.880 42 D N 3.867 124.253 120.400 -0.023 0.000 5.634 42 D HA -0.134 4.506 4.640 -0.000 0.000 0.182 42 D C -0.704 175.577 176.300 -0.032 0.000 1.159 42 D CA 0.911 54.899 54.000 -0.020 0.000 0.915 42 D CB -0.337 40.460 40.800 -0.005 0.000 1.209 42 D HN 0.446 nan 8.370 nan 0.000 0.675 43 E N 0.848 121.022 120.200 -0.043 0.000 2.860 43 E HA 0.067 4.417 4.350 -0.000 0.000 0.318 43 E C 0.128 176.709 176.600 -0.032 0.000 1.481 43 E CA -0.060 56.308 56.400 -0.054 0.000 1.613 43 E CB -0.174 29.491 29.700 -0.059 0.000 1.279 43 E HN 0.303 nan 8.360 nan 0.000 0.489 44 T N 0.893 115.435 114.554 -0.021 0.000 4.338 44 T HA -0.192 4.158 4.350 -0.000 0.000 0.345 44 T C 0.563 175.259 174.700 -0.007 0.000 0.755 44 T CA 0.603 62.698 62.100 -0.009 0.000 1.995 44 T CB -1.549 67.314 68.868 -0.008 0.000 1.873 44 T HN 0.679 nan 8.240 nan 0.000 0.944 45 Q N -2.285 117.512 119.800 -0.006 0.000 2.963 45 Q HA -0.189 4.151 4.340 -0.000 0.000 0.171 45 Q C 0.360 176.356 176.000 -0.007 0.000 1.703 45 Q CA 1.945 57.746 55.803 -0.003 0.000 1.023 45 Q CB -1.809 26.930 28.738 0.001 0.000 0.933 45 Q HN 0.729 nan 8.270 nan 0.000 0.964 46 T N 2.834 117.382 114.554 -0.011 0.000 2.866 46 T HA 0.080 4.430 4.350 -0.000 0.000 0.293 46 T C 0.245 174.935 174.700 -0.018 0.000 1.005 46 T CA 0.361 62.453 62.100 -0.014 0.000 1.162 46 T CB 0.216 69.073 68.868 -0.018 0.000 0.968 46 T HN 0.109 nan 8.240 nan 0.000 0.530 47 R N 2.149 122.640 120.500 -0.015 0.000 2.438 47 R HA 0.572 4.912 4.340 -0.000 0.000 0.287 47 R C 0.507 176.793 176.300 -0.024 0.000 1.077 47 R CA -0.219 55.870 56.100 -0.018 0.000 1.034 47 R CB 0.623 30.915 30.300 -0.013 0.000 0.993 47 R HN 0.822 nan 8.270 nan 0.000 0.459 48 A N 2.341 125.144 122.820 -0.029 0.000 4.379 48 A HA 0.245 4.565 4.320 -0.000 0.000 0.104 48 A C -1.508 176.053 177.584 -0.039 0.000 1.250 48 A CA -0.782 51.235 52.037 -0.033 0.000 1.448 48 A CB 0.577 19.555 19.000 -0.036 0.000 1.692 48 A HN 0.536 nan 8.150 nan 0.000 0.785 49 K N -0.074 120.296 120.400 -0.050 0.000 2.542 49 K HA 0.655 4.974 4.320 -0.000 0.000 0.259 49 K C -1.451 175.096 176.600 -0.088 0.000 0.932 49 K CA -0.444 55.808 56.287 -0.059 0.000 0.820 49 K CB 2.250 34.722 32.500 -0.048 0.000 1.345 49 K HN 0.557 nan 8.250 nan 0.000 0.432 50 I N 0.890 121.387 120.570 -0.123 0.000 2.532 50 I HA 0.146 4.316 4.170 -0.000 0.000 0.292 50 I C 1.398 177.388 176.117 -0.212 0.000 1.014 50 I CA -0.314 60.859 61.300 -0.212 0.000 1.340 50 I CB 1.177 38.978 38.000 -0.332 0.000 1.422 50 I HN 0.883 nan 8.210 nan 0.000 0.528 51 G N 3.843 112.503 108.800 -0.233 0.000 3.297 51 G HA2 0.170 4.130 3.960 -0.000 0.000 0.225 51 G HA3 0.170 4.130 3.960 -0.000 0.000 0.225 51 G C 0.744 175.565 174.900 -0.132 0.000 1.171 51 G CA 0.437 45.453 45.100 -0.140 0.000 1.652 51 G HN 0.958 nan 8.290 nan 0.000 0.564 52 G N -0.345 108.361 108.800 -0.156 0.000 2.534 52 G HA2 0.407 4.367 3.960 -0.000 0.000 0.220 52 G HA3 0.407 4.367 3.960 -0.000 0.000 0.220 52 G C 0.273 175.229 174.900 0.093 0.000 1.699 52 G CA -0.275 44.860 45.100 0.059 0.000 0.769 52 G HN 0.393 nan 8.290 nan 0.000 0.632 53 L N 0.792 122.042 121.223 0.044 0.000 2.331 53 L HA 0.384 4.724 4.340 -0.000 0.000 0.268 53 L C -0.391 176.478 176.870 -0.003 0.000 1.015 53 L CA -0.709 54.147 54.840 0.027 0.000 0.807 53 L CB 1.443 43.521 42.059 0.032 0.000 1.293 53 L HN 0.682 nan 8.230 nan 0.000 0.451 54 N N 1.456 120.147 118.700 -0.014 0.000 2.789 54 N HA -0.262 4.478 4.740 -0.000 0.000 0.309 54 N C -0.416 175.081 175.510 -0.021 0.000 1.174 54 N CA 1.359 54.395 53.050 -0.024 0.000 0.740 54 N CB -0.617 37.848 38.487 -0.036 0.000 1.019 54 N HN 0.794 nan 8.380 nan 0.000 0.571 55 D N -0.765 119.627 120.400 -0.012 0.000 3.126 55 D HA -0.071 4.569 4.640 -0.000 0.000 0.208 55 D C -2.209 174.084 176.300 -0.011 0.000 1.047 55 D CA 0.344 54.339 54.000 -0.009 0.000 0.895 55 D CB -1.097 39.693 40.800 -0.017 0.000 1.063 55 D HN 0.558 nan 8.370 nan 0.000 0.449 56 P HA 0.208 nan 4.420 nan 0.000 0.252 56 P C 0.165 177.468 177.300 0.005 0.000 1.265 56 P CA 0.631 63.732 63.100 0.002 0.000 0.775 56 P CB 0.290 32.009 31.700 0.032 0.000 1.128 57 R N -4.610 115.891 120.500 0.003 0.000 1.920 57 R HA 0.009 4.349 4.340 -0.000 0.000 0.327 57 R C 0.406 176.715 176.300 0.016 0.000 0.345 57 R CA -0.111 55.986 56.100 -0.005 0.000 1.282 57 R CB -1.288 29.002 30.300 -0.016 0.000 1.636 57 R HN 0.128 nan 8.270 nan 0.000 0.396 58 L N 0.367 121.615 121.223 0.042 0.000 2.420 58 L HA 0.256 4.596 4.340 -0.000 0.000 0.198 58 L C 1.890 178.827 176.870 0.111 0.000 1.165 58 L CA 0.567 55.462 54.840 0.091 0.000 0.863 58 L CB -0.338 41.744 42.059 0.039 0.000 1.371 58 L HN 0.154 nan 8.230 nan 0.000 0.536 59 G N -0.678 108.194 108.800 0.121 0.000 2.413 59 G HA2 0.261 4.221 3.960 -0.000 0.000 0.300 59 G HA3 0.261 4.221 3.960 -0.000 0.000 0.300 59 G C 0.029 174.953 174.900 0.040 0.000 1.370 59 G CA 0.419 45.578 45.100 0.098 0.000 1.110 59 G HN 0.803 nan 8.290 nan 0.000 0.596 60 S N -2.335 113.376 115.700 0.018 0.000 2.973 60 S HA 0.762 5.232 4.470 -0.000 0.000 0.317 60 S C -0.186 174.404 174.600 -0.018 0.000 1.196 60 S CA -0.490 57.708 58.200 -0.002 0.000 0.894 60 S CB 1.148 64.349 63.200 0.001 0.000 1.292 60 S HN 0.622 nan 8.310 nan 0.000 0.614 61 I N -1.221 119.335 120.570 -0.023 0.000 4.236 61 I HA 0.425 4.595 4.170 -0.000 0.000 0.242 61 I C -0.466 175.634 176.117 -0.029 0.000 0.967 61 I CA -0.850 60.431 61.300 -0.032 0.000 1.546 61 I CB 0.006 37.980 38.000 -0.044 0.000 1.156 61 I HN 0.693 nan 8.210 nan 0.000 0.379 62 D N 2.191 122.571 120.400 -0.034 0.000 2.884 62 D HA -0.218 4.422 4.640 -0.000 0.000 0.222 62 D C -0.154 176.133 176.300 -0.022 0.000 1.166 62 D CA 0.997 54.980 54.000 -0.028 0.000 0.652 62 D CB -0.393 40.391 40.800 -0.026 0.000 1.060 62 D HN 0.444 nan 8.370 nan 0.000 0.416 63 R N -0.806 119.682 120.500 -0.021 0.000 3.158 63 R HA -0.202 4.138 4.340 -0.000 0.000 0.244 63 R C -0.714 175.579 176.300 -0.013 0.000 0.900 63 R CA 0.557 56.648 56.100 -0.015 0.000 0.618 63 R CB -1.453 28.839 30.300 -0.014 0.000 1.061 63 R HN 0.222 nan 8.270 nan 0.000 0.471 64 N N 1.175 119.868 118.700 -0.012 0.000 2.504 64 N HA 0.204 4.944 4.740 -0.000 0.000 0.280 64 N C 1.354 176.860 175.510 -0.007 0.000 1.052 64 N CA -0.572 52.472 53.050 -0.010 0.000 0.887 64 N CB 1.239 39.718 38.487 -0.012 0.000 1.323 64 N HN 0.035 nan 8.380 nan 0.000 0.509 65 L N 1.462 122.682 121.223 -0.005 0.000 2.156 65 L HA -0.329 4.011 4.340 -0.000 0.000 0.248 65 L C 0.602 177.471 176.870 -0.000 0.000 1.108 65 L CA 1.625 56.463 54.840 -0.003 0.000 0.842 65 L CB -0.714 41.343 42.059 -0.005 0.000 0.950 65 L HN 0.523 nan 8.230 nan 0.000 0.441 66 K N -0.664 119.733 120.400 -0.006 0.000 2.412 66 K HA -0.244 4.076 4.320 -0.000 0.000 0.245 66 K C -0.200 176.400 176.600 0.000 0.000 1.044 66 K CA 0.746 57.028 56.287 -0.008 0.000 1.125 66 K CB -0.302 32.190 32.500 -0.013 0.000 0.719 66 K HN 0.520 nan 8.250 nan 0.000 0.454 67 C N 3.184 122.481 119.300 -0.006 0.000 2.706 67 C HA 0.061 4.521 4.460 -0.000 0.000 0.265 67 C C -0.779 174.169 174.990 -0.071 0.000 1.413 67 C CA -0.281 58.741 59.018 0.006 0.000 0.938 67 C CB -0.936 26.844 27.740 0.067 0.000 1.889 67 C HN 1.045 nan 8.230 nan 0.000 0.702 68 Q N 0.260 120.018 119.800 -0.070 0.000 2.451 68 Q HA -0.176 4.164 4.340 -0.000 0.000 0.292 68 Q C 0.919 176.871 176.000 -0.080 0.000 1.390 68 Q CA 0.785 56.531 55.803 -0.096 0.000 0.753 68 Q CB -1.831 26.800 28.738 -0.179 0.000 1.128 68 Q HN 0.798 nan 8.270 nan 0.000 0.402 69 T N -2.954 111.570 114.554 -0.049 0.000 10.479 69 T HA -0.432 3.918 4.350 -0.000 0.000 0.411 69 T C 1.417 176.098 174.700 -0.031 0.000 1.504 69 T CA 1.800 63.879 62.100 -0.035 0.000 2.475 69 T CB -1.830 67.018 68.868 -0.034 0.000 2.895 69 T HN 0.920 nan 8.240 nan 0.000 1.096 70 C N 3.265 122.538 119.300 -0.045 0.000 2.359 70 C HA -0.190 4.270 4.460 -0.000 0.000 0.314 70 C C 2.066 177.058 174.990 0.004 0.000 1.375 70 C CA 1.789 60.792 59.018 -0.025 0.000 1.819 70 C CB -2.146 25.572 27.740 -0.037 0.000 1.824 70 C HN 0.898 nan 8.230 nan 0.000 0.563 71 Q N -0.466 119.333 119.800 -0.002 0.000 2.271 71 Q HA -0.423 3.917 4.340 -0.000 0.000 0.460 71 Q C 0.879 176.888 176.000 0.014 0.000 0.708 71 Q CA 2.137 57.942 55.803 0.003 0.000 0.880 71 Q CB -1.212 27.524 28.738 -0.004 0.000 3.274 71 Q HN 0.531 nan 8.270 nan 0.000 0.942 72 E N -1.369 118.836 120.200 0.007 0.000 5.171 72 E HA -0.291 4.059 4.350 -0.000 0.000 0.184 72 E C 0.878 177.482 176.600 0.008 0.000 1.101 72 E CA 2.656 59.060 56.400 0.008 0.000 2.026 72 E CB -2.109 27.601 29.700 0.016 0.000 1.810 72 E HN 1.730 nan 8.360 nan 0.000 0.414 73 G N 0.796 109.603 108.800 0.013 0.000 2.801 73 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.686 73 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.686 73 G C 0.908 175.812 174.900 0.006 0.000 1.507 73 G CA 1.175 46.281 45.100 0.009 0.000 0.980 73 G HN 0.234 nan 8.290 nan 0.000 0.589 74 M N 0.153 119.754 119.600 0.002 0.000 4.098 74 M HA -0.368 4.112 4.480 -0.000 0.000 0.295 74 M C 1.472 177.768 176.300 -0.006 0.000 0.590 74 M CA 2.600 57.896 55.300 -0.005 0.000 0.864 74 M CB -0.967 31.626 32.600 -0.012 0.000 1.640 74 M HN 0.841 nan 8.290 nan 0.000 0.631 75 N N 1.136 119.831 118.700 -0.008 0.000 2.405 75 N HA 0.115 4.855 4.740 -0.000 0.000 0.260 75 N C 0.148 175.655 175.510 -0.005 0.000 1.152 75 N CA 1.121 54.165 53.050 -0.009 0.000 0.948 75 N CB 1.149 39.629 38.487 -0.010 0.000 1.111 75 N HN 0.509 nan 8.380 nan 0.000 0.485 76 E N 1.852 122.049 120.200 -0.005 0.000 4.391 76 E HA -0.164 4.186 4.350 -0.000 0.000 0.406 76 E C -1.497 175.107 176.600 0.006 0.000 0.551 76 E CA 0.269 56.668 56.400 -0.001 0.000 1.535 76 E CB -1.775 27.926 29.700 0.002 0.000 1.941 76 E HN 0.424 nan 8.360 nan 0.000 0.312 77 C N 3.294 122.598 119.300 0.007 0.000 2.439 77 C HA 0.658 5.118 4.460 -0.000 0.000 0.298 77 C C -1.952 173.001 174.990 -0.062 0.000 1.094 77 C CA -1.581 57.450 59.018 0.021 0.000 1.609 77 C CB -0.806 26.981 27.740 0.079 0.000 1.723 77 C HN 0.343 nan 8.230 nan 0.000 0.423 78 P HA 0.207 nan 4.420 nan 0.000 0.272 78 P C 0.528 177.636 177.300 -0.320 0.000 1.248 78 P CA 0.408 63.419 63.100 -0.149 0.000 0.799 78 P CB 0.449 32.083 31.700 -0.110 0.000 0.997 79 G N -0.155 108.526 108.800 -0.198 0.000 2.491 79 G HA2 0.116 4.076 3.960 -0.000 0.000 0.238 79 G HA3 0.116 4.076 3.960 -0.000 0.000 0.238 79 G C -0.426 174.299 174.900 -0.292 0.000 1.277 79 G CA -0.225 44.763 45.100 -0.187 0.000 0.851 79 G HN 0.552 nan 8.290 nan 0.000 0.573 80 H N 1.554 120.682 119.070 0.097 0.000 2.685 80 H HA 0.217 4.773 4.556 -0.000 0.000 0.307 80 H C -0.220 175.210 175.328 0.170 0.000 1.017 80 H CA -0.734 55.398 56.048 0.139 0.000 1.237 80 H CB 0.729 30.533 29.762 0.069 0.000 1.409 80 H HN 0.258 nan 8.280 nan 0.000 0.488 81 F N 1.461 121.456 119.950 0.076 0.000 2.628 81 F HA 0.166 4.693 4.527 -0.000 0.000 0.362 81 F C 1.528 177.355 175.800 0.045 0.000 1.148 81 F CA 0.914 58.940 58.000 0.042 0.000 1.352 81 F CB 0.595 39.598 39.000 0.004 0.000 1.081 81 F HN 0.521 nan 8.300 nan 0.000 0.605 82 G N 1.067 109.920 108.800 0.089 0.000 2.600 82 G HA2 0.615 4.575 3.960 -0.000 0.000 0.303 82 G HA3 0.615 4.575 3.960 -0.000 0.000 0.303 82 G C -1.688 173.314 174.900 0.171 0.000 1.253 82 G CA -0.716 44.453 45.100 0.115 0.000 0.974 82 G HN 0.881 nan 8.290 nan 0.000 0.483 83 H N -2.130 116.940 119.070 -0.000 0.000 2.949 83 H HA 0.795 5.351 4.556 -0.000 0.000 0.356 83 H C -1.489 173.831 175.328 -0.015 0.000 1.212 83 H CA -1.251 54.789 56.048 -0.013 0.000 1.136 83 H CB 2.629 32.378 29.762 -0.023 0.000 1.869 83 H HN 0.546 nan 8.280 nan 0.000 0.556 84 I N 2.448 122.832 120.570 -0.311 0.000 2.598 84 I HA 0.078 4.248 4.170 -0.000 0.000 0.277 84 I C -1.265 174.711 176.117 -0.235 0.000 1.179 84 I CA -0.615 60.474 61.300 -0.352 0.000 1.081 84 I CB 1.105 38.999 38.000 -0.176 0.000 1.272 84 I HN 0.737 nan 8.210 nan 0.000 0.471 85 D N 8.397 128.629 120.400 -0.279 0.000 2.479 85 D HA 0.079 4.719 4.640 -0.000 0.000 0.257 85 D C 0.649 176.917 176.300 -0.055 0.000 1.230 85 D CA 0.484 54.426 54.000 -0.096 0.000 0.912 85 D CB 1.018 41.783 40.800 -0.058 0.000 1.130 85 D HN 0.434 nan 8.370 nan 0.000 0.515 86 L N 1.135 122.349 121.223 -0.015 0.000 2.367 86 L HA 0.084 4.424 4.340 -0.000 0.000 0.215 86 L C 1.771 178.646 176.870 0.008 0.000 1.197 86 L CA -0.232 54.608 54.840 -0.001 0.000 0.836 86 L CB 0.098 42.172 42.059 0.024 0.000 1.242 86 L HN 0.430 nan 8.230 nan 0.000 0.553 87 A N -0.550 122.279 122.820 0.015 0.000 1.970 87 A HA 0.220 4.540 4.320 -0.000 0.000 0.204 87 A C 0.608 178.207 177.584 0.026 0.000 1.325 87 A CA 0.536 52.584 52.037 0.019 0.000 0.767 87 A CB 0.345 19.352 19.000 0.012 0.000 0.949 87 A HN 0.623 nan 8.150 nan 0.000 0.481 88 K N 0.499 120.917 120.400 0.030 0.000 2.501 88 K HA 0.388 4.708 4.320 -0.000 0.000 0.252 88 K C -2.997 173.636 176.600 0.055 0.000 0.934 88 K CA -2.307 54.003 56.287 0.039 0.000 0.797 88 K CB 2.412 34.931 32.500 0.030 0.000 1.270 88 K HN 0.078 nan 8.250 nan 0.000 0.431 89 P HA -0.100 nan 4.420 nan 0.000 0.267 89 P C -0.608 176.766 177.300 0.124 0.000 1.175 89 P CA 0.055 63.215 63.100 0.099 0.000 0.763 89 P CB 0.555 32.316 31.700 0.102 0.000 0.795 90 V N 2.433 122.448 119.914 0.167 0.000 3.130 90 V HA 0.374 4.494 4.120 -0.000 0.000 0.310 90 V C 0.301 176.630 176.094 0.391 0.000 1.158 90 V CA -0.671 61.757 62.300 0.212 0.000 1.029 90 V CB 1.669 33.579 31.823 0.144 0.000 1.057 90 V HN 0.328 nan 8.190 nan 0.000 0.436 91 F N 0.826 120.810 119.950 0.057 0.000 2.368 91 F HA 0.370 4.897 4.527 -0.000 0.000 0.308 91 F C 0.849 176.716 175.800 0.113 0.000 1.198 91 F CA -0.596 57.447 58.000 0.072 0.000 1.130 91 F CB 0.157 39.192 39.000 0.059 0.000 1.300 91 F HN 0.569 nan 8.300 nan 0.000 0.537 92 H N 0.942 120.069 119.070 0.094 0.000 2.360 92 H HA 0.341 4.896 4.556 -0.000 0.000 0.233 92 H C 0.756 175.991 175.328 -0.155 0.000 1.473 92 H CA -0.460 55.532 56.048 -0.093 0.000 1.352 92 H CB 0.341 29.938 29.762 -0.276 0.000 1.493 92 H HN 0.452 nan 8.280 nan 0.000 0.533 93 V N 2.170 122.077 119.914 -0.011 0.000 2.404 93 V HA -0.437 3.683 4.120 -0.000 0.000 0.247 93 V C 2.195 178.165 176.094 -0.206 0.000 1.126 93 V CA 2.340 64.596 62.300 -0.074 0.000 1.096 93 V CB -1.436 30.359 31.823 -0.047 0.000 0.919 93 V HN 0.756 nan 8.190 nan 0.000 0.464 94 G N -2.346 106.083 108.800 -0.618 0.000 2.603 94 G HA2 0.115 4.075 3.960 -0.000 0.000 0.214 94 G HA3 0.115 4.075 3.960 -0.000 0.000 0.214 94 G C 1.285 176.015 174.900 -0.283 0.000 1.140 94 G CA 0.515 45.296 45.100 -0.530 0.000 0.800 94 G HN 0.573 nan 8.290 nan 0.000 0.533 95 F N 0.326 119.955 119.950 -0.534 0.000 2.473 95 F HA 0.173 4.700 4.527 -0.000 0.000 0.294 95 F C 2.426 178.127 175.800 -0.166 0.000 1.103 95 F CA -0.444 57.380 58.000 -0.294 0.000 1.442 95 F CB 0.064 38.933 39.000 -0.219 0.000 1.097 95 F HN 0.021 nan 8.300 nan 0.000 0.547 96 I N 1.039 121.647 120.570 0.063 0.000 2.130 96 I HA -0.484 3.686 4.170 -0.000 0.000 0.241 96 I C 2.768 178.930 176.117 0.076 0.000 1.023 96 I CA 1.617 62.963 61.300 0.077 0.000 1.293 96 I CB -0.897 37.217 38.000 0.188 0.000 1.001 96 I HN 0.127 nan 8.210 nan 0.000 0.407 97 A N -0.058 122.805 122.820 0.072 0.000 1.940 97 A HA -0.318 4.002 4.320 -0.000 0.000 0.221 97 A C 2.363 179.978 177.584 0.051 0.000 1.190 97 A CA 2.407 54.478 52.037 0.056 0.000 0.647 97 A CB -0.572 18.447 19.000 0.033 0.000 0.821 97 A HN 0.459 nan 8.150 nan 0.000 0.457 98 K N -1.029 119.392 120.400 0.034 0.000 2.044 98 K HA 0.157 4.477 4.320 -0.000 0.000 0.204 98 K C 1.883 178.558 176.600 0.124 0.000 1.045 98 K CA 0.868 57.184 56.287 0.048 0.000 0.951 98 K CB -0.263 32.168 32.500 -0.115 0.000 0.738 98 K HN 0.489 nan 8.250 nan 0.000 0.443 99 I N 1.988 122.583 120.570 0.041 0.000 2.227 99 I HA -0.414 3.756 4.170 -0.000 0.000 0.250 99 I C 2.580 178.810 176.117 0.188 0.000 1.087 99 I CA 1.433 62.752 61.300 0.031 0.000 1.352 99 I CB -0.377 37.408 38.000 -0.357 0.000 1.043 99 I HN 0.277 nan 8.210 nan 0.000 0.425 100 K N 1.796 122.296 120.400 0.167 0.000 1.965 100 K HA -0.187 4.133 4.320 -0.000 0.000 0.214 100 K C 2.032 178.808 176.600 0.293 0.000 1.042 100 K CA 1.442 57.863 56.287 0.223 0.000 0.950 100 K CB -0.195 32.423 32.500 0.198 0.000 0.733 100 K HN 0.153 nan 8.250 nan 0.000 0.441 101 K N 0.528 121.111 120.400 0.306 0.000 2.207 101 K HA -0.180 4.140 4.320 -0.000 0.000 0.208 101 K C 2.007 178.914 176.600 0.512 0.000 1.046 101 K CA 1.709 58.266 56.287 0.449 0.000 0.929 101 K CB -0.176 32.359 32.500 0.057 0.000 0.720 101 K HN 0.082 nan 8.250 nan 0.000 0.463 102 V N 0.485 120.660 119.914 0.435 0.000 2.323 102 V HA -0.280 3.840 4.120 -0.000 0.000 0.244 102 V C 2.461 178.670 176.094 0.192 0.000 1.041 102 V CA 1.558 64.073 62.300 0.357 0.000 1.025 102 V CB -0.499 31.500 31.823 0.293 0.000 0.656 102 V HN 0.420 nan 8.190 nan 0.000 0.451 103 C N 0.282 119.719 119.300 0.229 0.000 2.413 103 C HA -0.182 4.277 4.460 -0.000 0.000 0.276 103 C C 2.622 177.676 174.990 0.107 0.000 1.236 103 C CA 1.085 60.193 59.018 0.150 0.000 1.735 103 C CB -1.163 26.713 27.740 0.227 0.000 2.031 103 C HN 0.611 nan 8.230 nan 0.000 0.474 104 E N -1.022 119.266 120.200 0.147 0.000 2.396 104 E HA -0.207 4.143 4.350 -0.000 0.000 0.200 104 E C 1.866 178.471 176.600 0.008 0.000 1.023 104 E CA 0.898 57.334 56.400 0.060 0.000 0.857 104 E CB -0.155 29.596 29.700 0.084 0.000 0.775 104 E HN 0.687 nan 8.360 nan 0.000 0.525 105 C N 0.194 119.546 119.300 0.088 0.000 2.674 105 C HA 0.163 4.623 4.460 -0.000 0.000 0.276 105 C C 0.684 175.684 174.990 0.015 0.000 1.300 105 C CA -0.241 58.814 59.018 0.063 0.000 1.732 105 C CB 0.280 28.130 27.740 0.182 0.000 2.076 105 C HN -0.009 nan 8.230 nan 0.000 0.548 106 V N -0.575 119.336 119.914 -0.005 0.000 2.841 106 V HA 0.366 4.486 4.120 -0.000 0.000 0.310 106 V C -0.613 175.472 176.094 -0.015 0.000 1.090 106 V CA -0.769 61.509 62.300 -0.036 0.000 0.930 106 V CB 1.527 33.285 31.823 -0.108 0.000 1.014 106 V HN 0.274 nan 8.190 nan 0.000 0.425 107 C N 6.140 125.442 119.300 0.004 0.000 2.370 107 C HA 0.661 5.121 4.460 -0.000 0.000 0.354 107 C C 0.741 175.749 174.990 0.031 0.000 1.218 107 C CA -0.739 58.305 59.018 0.043 0.000 2.154 107 C CB 0.628 28.416 27.740 0.080 0.000 2.391 107 C HN 0.838 nan 8.230 nan 0.000 0.540 108 M N 4.181 123.791 119.600 0.016 0.000 1.782 108 M HA 0.235 4.715 4.480 -0.000 0.000 0.199 108 M C 1.464 177.698 176.300 -0.110 0.000 1.314 108 M CA 0.830 56.060 55.300 -0.117 0.000 0.877 108 M CB -0.912 31.516 32.600 -0.286 0.000 1.222 108 M HN 0.915 nan 8.290 nan 0.000 0.419 109 H N -1.171 117.929 119.070 0.051 0.000 4.905 109 H HA -0.217 4.339 4.556 -0.000 0.000 0.065 109 H C 1.517 176.821 175.328 -0.040 0.000 0.584 109 H CA 2.416 58.468 56.048 0.007 0.000 0.984 109 H CB -1.591 28.175 29.762 0.005 0.000 0.446 109 H HN 0.874 nan 8.280 nan 0.000 0.786 110 C N 1.463 120.807 119.300 0.073 0.000 3.230 110 C HA 0.676 5.136 4.460 -0.000 0.000 0.300 110 C C 1.482 176.449 174.990 -0.038 0.000 1.292 110 C CA 1.004 60.013 59.018 -0.016 0.000 1.707 110 C CB 0.012 27.752 27.740 -0.000 0.000 2.181 110 C HN 1.255 nan 8.230 nan 0.000 0.655 111 G N 2.012 110.803 108.800 -0.014 0.000 2.292 111 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.221 111 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.221 111 G C -0.575 174.293 174.900 -0.052 0.000 0.657 111 G CA 1.033 46.115 45.100 -0.030 0.000 1.036 111 G HN 1.107 nan 8.290 nan 0.000 0.309 112 K N 1.393 121.763 120.400 -0.051 0.000 2.607 112 K HA 0.502 4.822 4.320 -0.000 0.000 0.287 112 K C 0.714 177.289 176.600 -0.040 0.000 0.996 112 K CA -1.274 54.980 56.287 -0.055 0.000 0.876 112 K CB 1.014 33.490 32.500 -0.039 0.000 1.496 112 K HN 0.306 nan 8.250 nan 0.000 0.415 113 L N 1.917 123.119 121.223 -0.035 0.000 2.453 113 L HA -0.074 4.266 4.340 -0.000 0.000 0.283 113 L C 0.789 177.655 176.870 -0.007 0.000 1.284 113 L CA 0.563 55.393 54.840 -0.017 0.000 0.822 113 L CB 0.070 42.124 42.059 -0.008 0.000 1.081 113 L HN 0.562 nan 8.230 nan 0.000 0.562 114 L N 1.748 122.969 121.223 -0.004 0.000 3.184 114 L HA 0.398 4.738 4.340 -0.000 0.000 0.283 114 L C -0.650 176.220 176.870 0.000 0.000 1.218 114 L CA -0.006 54.833 54.840 -0.003 0.000 1.028 114 L CB 0.208 42.258 42.059 -0.015 0.000 1.400 114 L HN 0.355 nan 8.230 nan 0.000 0.591 115 L N 0.279 121.507 121.223 0.007 0.000 2.737 115 L HA 0.377 4.717 4.340 -0.000 0.000 0.261 115 L C -1.410 175.469 176.870 0.014 0.000 0.949 115 L CA -0.325 54.523 54.840 0.014 0.000 0.952 115 L CB 2.471 44.530 42.059 0.000 0.000 1.337 115 L HN -0.037 nan 8.230 nan 0.000 0.430 116 D N 1.335 121.754 120.400 0.032 0.000 2.440 116 D HA 0.204 4.844 4.640 -0.000 0.000 0.258 116 D C 0.675 176.923 176.300 -0.086 0.000 1.092 116 D CA -0.505 53.481 54.000 -0.023 0.000 1.016 116 D CB 1.693 42.492 40.800 -0.002 0.000 1.141 116 D HN 0.469 nan 8.370 nan 0.000 0.552 117 E N -0.233 119.851 120.200 -0.193 0.000 2.279 117 E HA -0.256 4.094 4.350 -0.000 0.000 0.205 117 E C 1.627 178.128 176.600 -0.164 0.000 1.028 117 E CA 1.468 57.751 56.400 -0.196 0.000 0.830 117 E CB -0.222 29.325 29.700 -0.256 0.000 0.736 117 E HN 0.409 nan 8.360 nan 0.000 0.478 118 H N -0.074 118.993 119.070 -0.004 0.000 2.352 118 H HA -0.064 4.492 4.556 -0.000 0.000 0.299 118 H C 1.039 176.364 175.328 -0.006 0.000 1.097 118 H CA 1.093 57.137 56.048 -0.006 0.000 1.311 118 H CB -0.438 29.319 29.762 -0.007 0.000 1.377 118 H HN 0.120 nan 8.280 nan 0.000 0.504 119 N N 1.496 120.253 118.700 0.094 0.000 2.458 119 N HA -0.072 4.668 4.740 -0.000 0.000 0.270 119 N C 1.111 176.636 175.510 0.025 0.000 1.102 119 N CA 0.171 53.252 53.050 0.051 0.000 0.967 119 N CB 1.664 40.171 38.487 0.033 0.000 1.078 119 N HN 0.366 nan 8.380 nan 0.000 0.471 120 E N 3.872 124.083 120.200 0.019 0.000 2.072 120 E HA -0.070 4.280 4.350 -0.000 0.000 0.190 120 E C 1.589 178.192 176.600 0.006 0.000 0.982 120 E CA 0.601 57.008 56.400 0.011 0.000 0.803 120 E CB 0.087 29.793 29.700 0.011 0.000 0.755 120 E HN 0.670 nan 8.360 nan 0.000 0.453 121 L N 0.443 121.668 121.223 0.004 0.000 2.189 121 L HA -0.214 4.126 4.340 -0.000 0.000 0.214 121 L C 2.577 179.449 176.870 0.002 0.000 1.097 121 L CA 0.790 55.631 54.840 0.001 0.000 0.764 121 L CB -0.256 41.801 42.059 -0.004 0.000 0.900 121 L HN 0.374 nan 8.230 nan 0.000 0.436 122 M N -0.103 119.498 119.600 0.002 0.000 2.099 122 M HA -0.166 4.314 4.480 -0.000 0.000 0.262 122 M C 2.253 178.555 176.300 0.002 0.000 1.067 122 M CA 1.727 57.028 55.300 0.002 0.000 1.124 122 M CB -0.299 32.300 32.600 -0.000 0.000 1.353 122 M HN -0.007 nan 8.290 nan 0.000 0.410 123 R N -0.285 120.214 120.500 -0.002 0.000 2.143 123 R HA -0.250 4.090 4.340 -0.000 0.000 0.239 123 R C 2.190 178.493 176.300 0.005 0.000 1.126 123 R CA 2.382 58.481 56.100 -0.003 0.000 0.927 123 R CB -1.006 29.291 30.300 -0.004 0.000 0.860 123 R HN 0.577 nan 8.270 nan 0.000 0.433 124 Q N -0.325 119.479 119.800 0.007 0.000 2.308 124 Q HA -0.140 4.200 4.340 -0.000 0.000 0.209 124 Q C 1.688 177.698 176.000 0.017 0.000 0.985 124 Q CA 1.373 57.183 55.803 0.012 0.000 0.881 124 Q CB -0.051 28.693 28.738 0.010 0.000 0.917 124 Q HN 0.429 nan 8.270 nan 0.000 0.443 125 A N -0.304 122.526 122.820 0.017 0.000 2.275 125 A HA 0.149 4.469 4.320 -0.000 0.000 0.212 125 A C 1.439 179.043 177.584 0.033 0.000 1.201 125 A CA 0.080 52.132 52.037 0.026 0.000 0.843 125 A CB 0.250 19.263 19.000 0.023 0.000 0.873 125 A HN 0.244 nan 8.150 nan 0.000 0.492 126 L N -1.853 119.385 121.223 0.026 0.000 2.766 126 L HA 0.230 4.570 4.340 -0.000 0.000 0.242 126 L C 2.274 179.161 176.870 0.028 0.000 1.136 126 L CA 0.665 55.522 54.840 0.030 0.000 0.933 126 L CB 0.298 42.367 42.059 0.017 0.000 1.241 126 L HN 0.359 nan 8.230 nan 0.000 0.522 127 A N 0.149 122.984 122.820 0.025 0.000 1.984 127 A HA 0.173 4.493 4.320 -0.000 0.000 0.214 127 A C 1.173 178.775 177.584 0.030 0.000 1.173 127 A CA -0.052 52.000 52.037 0.024 0.000 0.673 127 A CB -0.093 18.919 19.000 0.019 0.000 0.830 127 A HN 0.206 nan 8.150 nan 0.000 0.453 128 I N 1.541 122.132 120.570 0.034 0.000 2.943 128 I HA -0.111 4.059 4.170 -0.000 0.000 0.296 128 I C -0.004 176.140 176.117 0.045 0.000 1.220 128 I CA 0.675 61.998 61.300 0.039 0.000 1.409 128 I CB 0.368 38.394 38.000 0.044 0.000 1.374 128 I HN 0.226 nan 8.210 nan 0.000 0.545 129 K N 6.283 126.707 120.400 0.040 0.000 2.363 129 K HA 0.278 4.598 4.320 -0.000 0.000 0.240 129 K C -0.953 175.673 176.600 0.044 0.000 1.169 129 K CA -0.191 56.121 56.287 0.042 0.000 1.131 129 K CB 0.183 32.704 32.500 0.035 0.000 1.771 129 K HN 0.457 nan 8.250 nan 0.000 0.380 130 D N 0.509 120.939 120.400 0.051 0.000 2.333 130 D HA -0.032 4.608 4.640 -0.000 0.000 0.225 130 D C 0.861 177.198 176.300 0.062 0.000 1.345 130 D CA 0.014 54.044 54.000 0.050 0.000 0.971 130 D CB 1.558 42.385 40.800 0.046 0.000 1.451 130 D HN 0.282 nan 8.370 nan 0.000 0.561 131 S N 2.601 118.332 115.700 0.052 0.000 2.401 131 S HA -0.318 4.152 4.470 -0.000 0.000 0.236 131 S C 1.675 176.329 174.600 0.091 0.000 1.058 131 S CA 1.000 59.233 58.200 0.056 0.000 1.151 131 S CB -0.144 63.048 63.200 -0.013 0.000 1.049 131 S HN 0.453 nan 8.310 nan 0.000 0.432 132 K N 1.307 121.740 120.400 0.055 0.000 2.173 132 K HA -0.125 4.195 4.320 -0.000 0.000 0.207 132 K C 2.367 179.026 176.600 0.099 0.000 1.046 132 K CA 1.807 58.137 56.287 0.072 0.000 0.929 132 K CB -0.189 32.331 32.500 0.034 0.000 0.720 132 K HN 0.518 nan 8.250 nan 0.000 0.453 133 K N -0.247 120.203 120.400 0.083 0.000 2.202 133 K HA 0.028 4.348 4.320 -0.000 0.000 0.201 133 K C 2.149 178.802 176.600 0.089 0.000 1.051 133 K CA 0.320 56.651 56.287 0.074 0.000 0.977 133 K CB 0.136 32.669 32.500 0.054 0.000 0.792 133 K HN 0.048 nan 8.250 nan 0.000 0.469 134 R N 0.508 121.076 120.500 0.114 0.000 2.070 134 R HA -0.092 4.248 4.340 -0.000 0.000 0.227 134 R C 2.145 178.537 176.300 0.153 0.000 1.147 134 R CA 1.624 57.797 56.100 0.123 0.000 0.924 134 R CB -0.600 29.785 30.300 0.143 0.000 0.827 134 R HN 0.095 nan 8.270 nan 0.000 0.431 135 F N 1.426 121.417 119.950 0.068 0.000 2.271 135 F HA -0.231 4.296 4.527 -0.000 0.000 0.302 135 F C 1.917 177.776 175.800 0.097 0.000 1.063 135 F CA 1.369 59.421 58.000 0.087 0.000 1.362 135 F CB -0.090 38.940 39.000 0.050 0.000 1.060 135 F HN 0.055 nan 8.300 nan 0.000 0.521 136 A N -0.855 121.955 122.820 -0.017 0.000 2.095 136 A HA 0.400 4.720 4.320 -0.000 0.000 0.212 136 A C 2.189 179.783 177.584 0.017 0.000 1.162 136 A CA 0.757 52.751 52.037 -0.072 0.000 0.753 136 A CB -0.906 18.096 19.000 0.004 0.000 0.840 136 A HN 0.383 nan 8.150 nan 0.000 0.468 137 A N 0.238 123.076 122.820 0.030 0.000 1.887 137 A HA 0.173 4.493 4.320 -0.000 0.000 0.212 137 A C 1.972 179.575 177.584 0.031 0.000 1.198 137 A CA 0.926 52.987 52.037 0.040 0.000 0.628 137 A CB -0.494 18.529 19.000 0.038 0.000 0.847 137 A HN 0.386 nan 8.150 nan 0.000 0.449 138 I N -1.994 118.590 120.570 0.023 0.000 2.091 138 I HA -0.322 3.848 4.170 -0.000 0.000 0.239 138 I C 2.446 178.562 176.117 -0.002 0.000 1.061 138 I CA 2.015 63.324 61.300 0.015 0.000 1.317 138 I CB -0.564 37.464 38.000 0.046 0.000 1.031 138 I HN 0.671 nan 8.210 nan 0.000 0.401 139 W N 2.010 123.144 121.300 -0.276 0.000 2.301 139 W HA -0.314 4.346 4.660 -0.000 0.000 0.325 139 W C 2.733 179.153 176.519 -0.166 0.000 1.250 139 W CA 2.771 59.942 57.345 -0.290 0.000 1.261 139 W CB -0.748 28.413 29.460 -0.499 0.000 1.157 139 W HN 0.008 nan 8.180 nan 0.000 0.473 140 T N 1.254 115.854 114.554 0.076 0.000 2.803 140 T HA -0.224 4.126 4.350 -0.000 0.000 0.269 140 T C 1.820 176.417 174.700 -0.173 0.000 1.052 140 T CA 1.749 63.798 62.100 -0.085 0.000 1.136 140 T CB -0.473 68.442 68.868 0.079 0.000 0.864 140 T HN 0.178 nan 8.240 nan 0.000 0.467 141 L N 0.623 121.778 121.223 -0.113 0.000 2.313 141 L HA 0.031 4.371 4.340 -0.000 0.000 0.214 141 L C 2.044 178.835 176.870 -0.131 0.000 1.119 141 L CA 0.711 55.492 54.840 -0.099 0.000 0.809 141 L CB -0.180 41.849 42.059 -0.049 0.000 0.933 141 L HN 0.506 nan 8.230 nan 0.000 0.449 142 C N -3.621 115.569 119.300 -0.184 0.000 3.525 142 C HA 0.187 4.647 4.460 -0.000 0.000 0.289 142 C C 2.118 176.952 174.990 -0.261 0.000 1.496 142 C CA -0.763 58.151 59.018 -0.173 0.000 1.804 142 C CB -0.787 26.888 27.740 -0.107 0.000 2.708 142 C HN 0.415 nan 8.230 nan 0.000 0.642 143 K N 1.503 121.635 120.400 -0.447 0.000 2.211 143 K HA -0.046 4.274 4.320 -0.000 0.000 0.203 143 K C 1.526 177.916 176.600 -0.350 0.000 1.050 143 K CA 1.941 57.883 56.287 -0.577 0.000 0.945 143 K CB -0.590 31.233 32.500 -1.129 0.000 0.732 143 K HN 0.333 nan 8.250 nan 0.000 0.451 144 T N 1.030 115.419 114.554 -0.274 0.000 2.851 144 T HA 0.003 4.353 4.350 -0.000 0.000 0.262 144 T C 0.327 174.949 174.700 -0.129 0.000 1.043 144 T CA 0.578 62.570 62.100 -0.180 0.000 1.140 144 T CB 0.042 68.823 68.868 -0.145 0.000 0.872 144 T HN 0.203 nan 8.240 nan 0.000 0.446 145 K N 1.857 122.188 120.400 -0.116 0.000 2.412 145 K HA 0.190 4.510 4.320 -0.000 0.000 0.284 145 K C -0.047 176.512 176.600 -0.070 0.000 1.046 145 K CA 0.443 56.684 56.287 -0.077 0.000 0.999 145 K CB 0.405 32.868 32.500 -0.061 0.000 0.941 145 K HN 0.322 nan 8.250 nan 0.000 0.474 146 M N 2.842 122.413 119.600 -0.049 0.000 2.876 146 M HA 0.166 4.646 4.480 -0.000 0.000 0.367 146 M C -1.016 175.285 176.300 0.002 0.000 1.242 146 M CA -0.293 54.986 55.300 -0.034 0.000 0.889 146 M CB 0.854 33.425 32.600 -0.049 0.000 1.353 146 M HN 0.105 nan 8.290 nan 0.000 0.511 147 V N 0.059 119.975 119.914 0.004 0.000 2.655 147 V HA 0.141 4.261 4.120 -0.000 0.000 0.301 147 V C -0.523 175.582 176.094 0.019 0.000 1.082 147 V CA -1.196 61.116 62.300 0.021 0.000 0.899 147 V CB 2.225 34.055 31.823 0.011 0.000 1.014 147 V HN 0.468 nan 8.190 nan 0.000 0.429 148 C N 5.771 125.092 119.300 0.034 0.000 2.773 148 C HA 0.235 4.695 4.460 -0.000 0.000 0.442 148 C C 1.005 176.004 174.990 0.015 0.000 1.028 148 C CA -0.449 58.586 59.018 0.029 0.000 1.164 148 C CB -1.979 25.789 27.740 0.048 0.000 1.593 148 C HN 0.904 nan 8.230 nan 0.000 0.557 149 E N 2.674 122.878 120.200 0.007 0.000 2.568 149 E HA -0.051 4.299 4.350 -0.000 0.000 0.262 149 E C 0.957 177.554 176.600 -0.006 0.000 0.961 149 E CA 0.541 56.940 56.400 -0.002 0.000 0.945 149 E CB 0.633 30.329 29.700 -0.006 0.000 0.924 149 E HN 0.680 nan 8.360 nan 0.000 0.467 150 T N 1.467 116.012 114.554 -0.016 0.000 2.978 150 T HA 0.040 4.390 4.350 -0.000 0.000 0.248 150 T C -0.378 174.299 174.700 -0.039 0.000 1.018 150 T CA 0.080 62.167 62.100 -0.022 0.000 1.026 150 T CB 0.449 69.305 68.868 -0.020 0.000 1.032 150 T HN 0.384 nan 8.240 nan 0.000 0.485 151 D N 1.237 121.611 120.400 -0.045 0.000 2.936 151 D HA 0.520 5.160 4.640 -0.000 0.000 0.238 151 D C -1.130 175.126 176.300 -0.073 0.000 1.248 151 D CA -0.212 53.748 54.000 -0.067 0.000 0.903 151 D CB 3.006 43.772 40.800 -0.056 0.000 1.544 151 D HN -0.009 nan 8.370 nan 0.000 0.543 152 V N 1.554 121.399 119.914 -0.115 0.000 2.823 152 V HA 0.456 4.576 4.120 -0.000 0.000 0.312 152 V C -2.360 173.671 176.094 -0.105 0.000 1.072 152 V CA -1.895 60.347 62.300 -0.097 0.000 0.937 152 V CB 2.365 34.139 31.823 -0.082 0.000 1.013 152 V HN 0.373 nan 8.190 nan 0.000 0.430 153 P HA 0.116 nan 4.420 nan 0.000 0.268 153 P C 0.377 177.657 177.300 -0.033 0.000 1.282 153 P CA 0.205 63.279 63.100 -0.044 0.000 0.880 153 P CB 0.535 32.221 31.700 -0.024 0.000 0.971 154 S N 3.351 119.024 115.700 -0.045 0.000 2.775 154 S HA -0.099 4.371 4.470 -0.000 0.000 0.250 154 S C 1.157 175.774 174.600 0.027 0.000 1.391 154 S CA -0.060 58.139 58.200 -0.002 0.000 0.972 154 S CB -0.254 62.943 63.200 -0.006 0.000 0.963 154 S HN 0.471 nan 8.310 nan 0.000 0.570 155 E N 0.997 121.224 120.200 0.045 0.000 2.516 155 E HA -0.000 4.350 4.350 -0.000 0.000 0.199 155 E C 0.180 176.791 176.600 0.019 0.000 1.069 155 E CA 0.578 56.999 56.400 0.034 0.000 0.876 155 E CB -0.214 29.509 29.700 0.038 0.000 0.843 155 E HN 0.495 nan 8.360 nan 0.000 0.530 156 D N 0.565 120.973 120.400 0.012 0.000 3.305 156 D HA 0.075 4.715 4.640 -0.000 0.000 0.221 156 D C 0.130 176.430 176.300 0.001 0.000 1.187 156 D CA -0.311 53.692 54.000 0.006 0.000 1.276 156 D CB -0.088 40.714 40.800 0.004 0.000 0.924 156 D HN -0.120 nan 8.370 nan 0.000 0.189 157 D N 1.523 121.921 120.400 -0.003 0.000 2.256 157 D HA 0.142 4.782 4.640 -0.000 0.000 0.250 157 D C -1.444 174.851 176.300 -0.009 0.000 1.093 157 D CA -1.264 52.733 54.000 -0.005 0.000 0.882 157 D CB 2.038 42.834 40.800 -0.006 0.000 1.185 157 D HN 0.030 nan 8.370 nan 0.000 0.437 158 P HA -0.044 nan 4.420 nan 0.000 0.237 158 P C 0.953 178.245 177.300 -0.013 0.000 1.178 158 P CA 0.528 63.622 63.100 -0.011 0.000 0.766 158 P CB 0.484 32.180 31.700 -0.008 0.000 0.876 159 T N -0.478 114.069 114.554 -0.012 0.000 2.770 159 T HA -0.054 4.296 4.350 -0.000 0.000 0.258 159 T C 1.059 175.749 174.700 -0.016 0.000 1.039 159 T CA 0.836 62.929 62.100 -0.012 0.000 1.143 159 T CB -0.420 68.442 68.868 -0.010 0.000 0.866 159 T HN 0.275 nan 8.240 nan 0.000 0.428 160 Q N 1.255 121.044 119.800 -0.017 0.000 2.304 160 Q HA 0.424 4.764 4.340 -0.000 0.000 0.260 160 Q C -0.982 174.999 176.000 -0.031 0.000 0.965 160 Q CA 0.037 55.827 55.803 -0.021 0.000 0.898 160 Q CB 0.712 29.439 28.738 -0.018 0.000 1.196 160 Q HN 0.421 nan 8.270 nan 0.000 0.402 161 L N 2.896 124.097 121.223 -0.036 0.000 2.313 161 L HA 0.500 4.840 4.340 -0.000 0.000 0.283 161 L C -0.430 176.401 176.870 -0.064 0.000 1.013 161 L CA -0.953 53.856 54.840 -0.051 0.000 0.816 161 L CB 1.443 43.476 42.059 -0.043 0.000 1.236 161 L HN 0.312 nan 8.230 nan 0.000 0.419 162 V N 1.261 121.115 119.914 -0.099 0.000 2.716 162 V HA 0.495 4.615 4.120 -0.000 0.000 0.304 162 V C 0.367 176.380 176.094 -0.136 0.000 1.053 162 V CA -0.558 61.668 62.300 -0.122 0.000 0.984 162 V CB 1.819 33.535 31.823 -0.179 0.000 1.021 162 V HN 0.901 nan 8.190 nan 0.000 0.467 163 S N 3.874 119.513 115.700 -0.100 0.000 2.549 163 S HA 0.830 5.300 4.470 -0.000 0.000 0.297 163 S C -0.267 174.296 174.600 -0.062 0.000 1.115 163 S CA -0.833 57.322 58.200 -0.076 0.000 1.059 163 S CB 2.318 65.491 63.200 -0.044 0.000 1.046 163 S HN 0.926 nan 8.310 nan 0.000 0.506 164 R N 1.769 122.245 120.500 -0.039 0.000 2.876 164 R HA 0.702 5.042 4.340 -0.000 0.000 0.096 164 R C 0.674 176.976 176.300 0.003 0.000 0.685 164 R CA -0.584 55.520 56.100 0.007 0.000 0.490 164 R CB -0.461 29.867 30.300 0.045 0.000 0.464 164 R HN 0.698 nan 8.270 nan 0.000 0.332 165 G N -0.333 108.473 108.800 0.010 0.000 2.606 165 G HA2 0.446 4.406 3.960 -0.000 0.000 0.252 165 G HA3 0.446 4.406 3.960 -0.000 0.000 0.252 165 G C -0.455 174.441 174.900 -0.006 0.000 1.206 165 G CA -0.157 44.943 45.100 0.000 0.000 0.861 165 G HN 0.606 nan 8.290 nan 0.000 0.561 166 G N -2.229 106.566 108.800 -0.010 0.000 2.481 166 G HA2 0.633 4.593 3.960 -0.000 0.000 0.315 166 G HA3 0.633 4.593 3.960 -0.000 0.000 0.315 166 G C -0.165 174.729 174.900 -0.010 0.000 1.231 166 G CA 0.065 45.157 45.100 -0.013 0.000 0.968 166 G HN 2.175 nan 8.290 nan 0.000 0.482 167 C N -0.296 118.996 119.300 -0.013 0.000 3.680 167 C HA 0.073 4.533 4.460 -0.000 0.000 0.360 167 C C 0.994 175.983 174.990 -0.001 0.000 0.907 167 C CA -0.864 58.143 59.018 -0.018 0.000 3.656 167 C CB -1.386 26.350 27.740 -0.007 0.000 1.128 167 C HN 1.812 nan 8.230 nan 0.000 0.603 168 G N 2.260 111.054 108.800 -0.010 0.000 3.124 168 G HA2 0.116 4.076 3.960 -0.000 0.000 0.212 168 G HA3 0.116 4.076 3.960 -0.000 0.000 0.212 168 G C 0.489 175.402 174.900 0.021 0.000 1.181 168 G CA 0.042 45.147 45.100 0.007 0.000 0.803 168 G HN 0.961 nan 8.290 nan 0.000 0.529 169 N N 2.324 121.025 118.700 0.002 0.000 2.276 169 N HA -0.054 4.686 4.740 -0.000 0.000 0.279 169 N C 0.583 176.174 175.510 0.135 0.000 1.379 169 N CA 0.737 53.792 53.050 0.007 0.000 0.886 169 N CB 0.327 38.738 38.487 -0.127 0.000 1.199 169 N HN 0.078 nan 8.380 nan 0.000 0.493 170 T N 2.738 117.378 114.554 0.142 0.000 2.902 170 T HA -0.131 4.219 4.350 -0.000 0.000 0.317 170 T C 0.727 175.604 174.700 0.295 0.000 1.064 170 T CA 0.396 62.614 62.100 0.197 0.000 1.130 170 T CB 0.427 69.429 68.868 0.223 0.000 1.073 170 T HN 0.336 nan 8.240 nan 0.000 0.524 171 Q N 3.646 123.544 119.800 0.164 0.000 2.278 171 Q HA 0.308 4.648 4.340 -0.000 0.000 0.257 171 Q C -2.202 173.754 176.000 -0.074 0.000 0.928 171 Q CA -1.945 53.915 55.803 0.096 0.000 0.932 171 Q CB 1.266 30.021 28.738 0.029 0.000 1.221 171 Q HN 0.437 nan 8.270 nan 0.000 0.434 172 P HA 0.100 nan 4.420 nan 0.000 0.292 172 P C -0.603 176.452 177.300 -0.408 0.000 1.287 172 P CA -0.335 62.334 63.100 -0.719 0.000 0.800 172 P CB 1.255 31.861 31.700 -1.823 0.000 0.945 173 T N 3.747 118.118 114.554 -0.305 0.000 2.802 173 T HA 0.338 4.688 4.350 -0.000 0.000 0.305 173 T C 0.669 175.253 174.700 -0.192 0.000 1.053 173 T CA 0.259 62.246 62.100 -0.189 0.000 1.058 173 T CB 0.065 68.851 68.868 -0.136 0.000 0.988 173 T HN 0.285 nan 8.240 nan 0.000 0.539 174 I N 1.147 121.659 120.570 -0.097 0.000 2.769 174 I HA 0.569 4.739 4.170 -0.000 0.000 0.298 174 I C -0.186 175.934 176.117 0.005 0.000 1.128 174 I CA -1.242 60.025 61.300 -0.055 0.000 1.031 174 I CB 2.340 40.336 38.000 -0.007 0.000 1.235 174 I HN 0.630 nan 8.210 nan 0.000 0.423 175 R N 2.666 123.175 120.500 0.015 0.000 2.837 175 R HA 0.610 4.950 4.340 -0.000 0.000 0.271 175 R C -1.242 175.094 176.300 0.060 0.000 0.993 175 R CA -1.136 54.988 56.100 0.039 0.000 0.931 175 R CB 2.225 32.538 30.300 0.021 0.000 1.206 175 R HN 0.476 nan 8.270 nan 0.000 0.474 176 K N 1.574 122.016 120.400 0.069 0.000 2.263 176 K HA 0.113 4.433 4.320 -0.000 0.000 0.272 176 K C -1.239 175.396 176.600 0.059 0.000 1.033 176 K CA -0.452 55.883 56.287 0.078 0.000 0.884 176 K CB 1.060 33.614 32.500 0.090 0.000 1.107 176 K HN 0.644 nan 8.250 nan 0.000 0.460 177 D N 4.055 124.486 120.400 0.052 0.000 2.453 177 D HA 0.257 4.897 4.640 -0.000 0.000 0.238 177 D C 0.661 176.985 176.300 0.039 0.000 1.088 177 D CA 0.581 54.604 54.000 0.039 0.000 0.854 177 D CB 1.277 42.093 40.800 0.027 0.000 1.076 177 D HN 0.885 nan 8.370 nan 0.000 0.533 178 G N 3.822 112.650 108.800 0.047 0.000 2.629 178 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.313 178 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.313 178 G C 0.721 175.657 174.900 0.060 0.000 1.217 178 G CA 0.562 45.696 45.100 0.056 0.000 0.994 178 G HN 0.570 nan 8.290 nan 0.000 0.549 179 L N 0.957 122.206 121.223 0.045 0.000 2.872 179 L HA 0.375 4.715 4.340 -0.000 0.000 0.245 179 L C 0.722 177.538 176.870 -0.089 0.000 1.211 179 L CA 0.106 54.961 54.840 0.025 0.000 1.013 179 L CB -0.124 41.958 42.059 0.038 0.000 1.326 179 L HN 0.256 nan 8.230 nan 0.000 0.525 180 K N 0.920 121.285 120.400 -0.058 0.000 2.443 180 K HA 0.650 4.970 4.320 -0.000 0.000 0.251 180 K C -1.068 175.536 176.600 0.006 0.000 0.972 180 K CA -0.821 55.396 56.287 -0.117 0.000 0.833 180 K CB 3.220 35.661 32.500 -0.098 0.000 1.317 180 K HN -0.041 nan 8.250 nan 0.000 0.441 181 L N 1.970 123.217 121.223 0.040 0.000 2.307 181 L HA 0.556 4.896 4.340 -0.000 0.000 0.284 181 L C -0.704 176.211 176.870 0.075 0.000 1.023 181 L CA -1.034 53.873 54.840 0.113 0.000 0.810 181 L CB 1.697 43.890 42.059 0.223 0.000 1.231 181 L HN 0.241 nan 8.230 nan 0.000 0.423 182 V N 1.471 121.414 119.914 0.050 0.000 2.876 182 V HA 0.892 5.012 4.120 -0.000 0.000 0.312 182 V C 0.048 176.118 176.094 -0.041 0.000 1.085 182 V CA -0.505 61.810 62.300 0.025 0.000 0.945 182 V CB 2.159 33.997 31.823 0.025 0.000 1.017 182 V HN 0.875 nan 8.190 nan 0.000 0.428 183 G N 1.227 109.955 108.800 -0.121 0.000 2.696 183 G HA2 0.673 4.633 3.960 -0.000 0.000 0.295 183 G HA3 0.673 4.633 3.960 -0.000 0.000 0.295 183 G C -0.872 173.779 174.900 -0.415 0.000 1.398 183 G CA -0.158 44.749 45.100 -0.322 0.000 0.920 183 G HN 0.935 nan 8.290 nan 0.000 0.492 184 S N -0.056 115.419 115.700 -0.375 0.000 2.638 184 S HA 0.761 5.231 4.470 -0.000 0.000 0.298 184 S C -1.044 173.373 174.600 -0.305 0.000 1.111 184 S CA -0.786 57.311 58.200 -0.172 0.000 1.027 184 S CB 1.735 64.903 63.200 -0.054 0.000 1.064 184 S HN 0.584 nan 8.310 nan 0.000 0.525 185 W N 1.854 123.167 121.300 0.022 0.000 2.453 185 W HA 0.453 5.113 4.660 -0.000 0.000 0.310 185 W C 0.044 176.571 176.519 0.014 0.000 1.000 185 W CA -0.655 56.703 57.345 0.023 0.000 1.367 185 W CB 1.704 31.183 29.460 0.031 0.000 1.269 185 W HN 0.776 nan 8.180 nan 0.000 0.418 196 E N 0.494 120.710 120.200 0.027 0.000 7.835 196 E HA -0.106 4.244 4.350 -0.000 0.000 0.463 196 E C -2.686 173.943 176.600 0.047 0.000 0.612 196 E CA -0.615 55.803 56.400 0.031 0.000 1.100 196 E CB -0.070 29.646 29.700 0.027 0.000 0.976 196 E HN 0.210 nan 8.360 nan 0.000 0.262 197 P HA 0.204 nan 4.420 nan 0.000 0.277 197 P C -0.901 176.461 177.300 0.103 0.000 1.276 197 P CA 0.103 63.250 63.100 0.078 0.000 0.788 197 P CB 0.441 32.175 31.700 0.056 0.000 1.114 198 E N 0.001 120.300 120.200 0.165 0.000 2.409 198 E HA 0.324 4.674 4.350 -0.000 0.000 0.259 198 E C -0.970 175.797 176.600 0.278 0.000 0.932 198 E CA -0.340 56.180 56.400 0.200 0.000 0.809 198 E CB 0.920 30.761 29.700 0.234 0.000 1.341 198 E HN 0.324 nan 8.360 nan 0.000 0.405 199 L N 4.200 125.529 121.223 0.177 0.000 2.257 199 L HA 0.552 4.892 4.340 -0.000 0.000 0.290 199 L C 0.134 177.110 176.870 0.176 0.000 1.044 199 L CA -0.542 54.400 54.840 0.170 0.000 0.810 199 L CB 0.463 42.574 42.059 0.086 0.000 1.193 199 L HN 0.366 nan 8.230 nan 0.000 0.425 200 R N 2.161 122.826 120.500 0.276 0.000 2.795 200 R HA 0.728 5.068 4.340 -0.000 0.000 0.275 200 R C -1.478 174.935 176.300 0.189 0.000 0.981 200 R CA -0.858 55.365 56.100 0.206 0.000 0.917 200 R CB 1.761 32.179 30.300 0.196 0.000 1.202 200 R HN 0.198 nan 8.270 nan 0.000 0.469 201 V N 3.536 123.512 119.914 0.103 0.000 2.488 201 V HA 0.181 4.301 4.120 -0.000 0.000 0.277 201 V C 0.362 176.520 176.094 0.106 0.000 1.046 201 V CA -0.559 61.787 62.300 0.077 0.000 0.986 201 V CB 1.036 32.871 31.823 0.019 0.000 0.989 201 V HN 0.580 nan 8.190 nan 0.000 0.475 202 L N 5.699 126.996 121.223 0.124 0.000 2.433 202 L HA 0.195 4.535 4.340 -0.000 0.000 0.284 202 L C 0.925 177.859 176.870 0.107 0.000 1.120 202 L CA 0.011 54.943 54.840 0.154 0.000 0.879 202 L CB 0.579 42.752 42.059 0.190 0.000 1.232 202 L HN 0.867 nan 8.230 nan 0.000 0.454 203 S N 0.739 116.495 115.700 0.093 0.000 2.537 203 S HA 0.027 4.497 4.470 -0.000 0.000 0.286 203 S C 1.299 175.964 174.600 0.108 0.000 1.299 203 S CA -0.548 57.692 58.200 0.067 0.000 1.067 203 S CB 1.163 64.403 63.200 0.066 0.000 0.864 203 S HN 0.631 nan 8.310 nan 0.000 0.494 204 T N 3.217 117.825 114.554 0.090 0.000 2.624 204 T HA -0.214 4.136 4.350 -0.000 0.000 0.268 204 T C 1.520 176.314 174.700 0.157 0.000 1.041 204 T CA 2.201 64.428 62.100 0.211 0.000 1.159 204 T CB -0.730 68.245 68.868 0.178 0.000 0.863 204 T HN 0.871 nan 8.240 nan 0.000 0.434 205 E N 0.649 120.913 120.200 0.106 0.000 2.253 205 E HA -0.232 4.118 4.350 -0.000 0.000 0.202 205 E C 2.166 178.822 176.600 0.093 0.000 1.014 205 E CA 1.242 57.694 56.400 0.087 0.000 0.823 205 E CB -0.114 29.629 29.700 0.070 0.000 0.736 205 E HN 0.610 nan 8.360 nan 0.000 0.478 206 E N 0.143 120.409 120.200 0.109 0.000 2.024 206 E HA -0.119 4.231 4.350 -0.000 0.000 0.190 206 E C 2.094 178.782 176.600 0.146 0.000 0.974 206 E CA 0.300 56.771 56.400 0.117 0.000 0.810 206 E CB 0.155 29.926 29.700 0.119 0.000 0.775 206 E HN 0.067 nan 8.360 nan 0.000 0.453 207 I N 2.031 122.703 120.570 0.169 0.000 2.074 207 I HA -0.377 3.793 4.170 -0.000 0.000 0.238 207 I C 2.707 178.908 176.117 0.141 0.000 1.037 207 I CA 1.398 62.812 61.300 0.190 0.000 1.301 207 I CB -1.492 36.561 38.000 0.089 0.000 1.016 207 I HN 0.372 nan 8.210 nan 0.000 0.400 208 L N 0.531 121.754 121.223 0.000 0.000 2.026 208 L HA -0.379 3.961 4.340 -0.000 0.000 0.231 208 L C 2.637 179.570 176.870 0.104 0.000 1.095 208 L CA 2.254 57.079 54.840 -0.026 0.000 0.810 208 L CB -0.540 41.528 42.059 0.015 0.000 0.909 208 L HN 0.437 nan 8.230 nan 0.000 0.444 209 N N 0.267 119.035 118.700 0.113 0.000 2.023 209 N HA -0.281 4.459 4.740 -0.000 0.000 0.200 209 N C 1.797 177.429 175.510 0.202 0.000 1.048 209 N CA 2.593 55.716 53.050 0.122 0.000 0.872 209 N CB -0.460 38.113 38.487 0.143 0.000 1.070 209 N HN 0.420 nan 8.380 nan 0.000 0.441 210 I N 0.226 120.948 120.570 0.254 0.000 2.290 210 I HA -0.319 3.851 4.170 -0.000 0.000 0.253 210 I C 1.942 178.179 176.117 0.200 0.000 1.112 210 I CA 1.234 62.672 61.300 0.230 0.000 1.377 210 I CB -0.432 37.688 38.000 0.200 0.000 1.060 210 I HN 0.078 nan 8.210 nan 0.000 0.428 211 F N 0.927 120.889 119.950 0.020 0.000 2.098 211 F HA -0.094 4.433 4.527 -0.000 0.000 0.294 211 F C 2.508 178.299 175.800 -0.015 0.000 1.107 211 F CA 1.177 59.172 58.000 -0.009 0.000 1.234 211 F CB -0.812 38.157 39.000 -0.053 0.000 1.002 211 F HN -0.163 nan 8.300 nan 0.000 0.472 212 K N -0.578 119.899 120.400 0.129 0.000 2.107 212 K HA -0.247 4.073 4.320 -0.000 0.000 0.211 212 K C 1.949 178.484 176.600 -0.108 0.000 1.049 212 K CA 1.817 58.073 56.287 -0.051 0.000 0.927 212 K CB -0.341 32.050 32.500 -0.182 0.000 0.714 212 K HN 0.333 nan 8.250 nan 0.000 0.452 213 H N 0.024 119.097 119.070 0.005 0.000 2.502 213 H HA 0.081 4.636 4.556 -0.000 0.000 0.283 213 H C 0.696 175.946 175.328 -0.130 0.000 1.015 213 H CA 0.372 56.389 56.048 -0.052 0.000 1.298 213 H CB -0.131 29.614 29.762 -0.028 0.000 1.411 213 H HN 0.120 nan 8.280 nan 0.000 0.556 214 I N 2.167 122.708 120.570 -0.048 0.000 2.948 214 I HA -0.161 4.009 4.170 -0.000 0.000 0.303 214 I C 1.234 177.105 176.117 -0.410 0.000 1.224 214 I CA 0.295 61.478 61.300 -0.195 0.000 1.442 214 I CB 0.388 38.266 38.000 -0.203 0.000 1.328 214 I HN 0.158 nan 8.210 nan 0.000 0.578 215 S N 4.953 120.435 115.700 -0.364 0.000 2.584 215 S HA 0.110 4.580 4.470 -0.000 0.000 0.270 215 S C 1.091 175.281 174.600 -0.684 0.000 1.346 215 S CA -0.861 57.093 58.200 -0.410 0.000 1.018 215 S CB 1.469 64.533 63.200 -0.227 0.000 0.899 215 S HN 0.384 nan 8.310 nan 0.000 0.542 216 V N 3.124 122.715 119.914 -0.538 0.000 2.343 216 V HA -0.121 3.998 4.120 -0.000 0.000 0.247 216 V C 2.500 178.470 176.094 -0.207 0.000 1.051 216 V CA 1.970 63.992 62.300 -0.464 0.000 1.036 216 V CB -0.880 30.825 31.823 -0.197 0.000 0.654 216 V HN 0.892 nan 8.190 nan 0.000 0.451 217 K N -0.426 119.890 120.400 -0.140 0.000 2.486 217 K HA -0.067 4.253 4.320 -0.000 0.000 0.194 217 K C 1.504 178.084 176.600 -0.033 0.000 1.033 217 K CA 0.641 56.898 56.287 -0.049 0.000 1.004 217 K CB -0.058 32.417 32.500 -0.042 0.000 0.798 217 K HN 0.481 nan 8.250 nan 0.000 0.495 218 D N 0.289 120.625 120.400 -0.106 0.000 2.201 218 D HA -0.018 4.622 4.640 -0.000 0.000 0.209 218 D C 1.607 177.934 176.300 0.045 0.000 0.961 218 D CA 0.631 54.593 54.000 -0.063 0.000 0.861 218 D CB -0.037 40.678 40.800 -0.142 0.000 0.997 218 D HN 0.087 nan 8.370 nan 0.000 0.486 219 F N 1.583 121.476 119.950 -0.096 0.000 2.005 219 F HA -0.299 4.228 4.527 -0.000 0.000 0.297 219 F C 2.725 178.549 175.800 0.039 0.000 1.175 219 F CA 1.216 59.137 58.000 -0.131 0.000 1.192 219 F CB -0.720 38.227 39.000 -0.087 0.000 0.953 219 F HN -0.062 nan 8.300 nan 0.000 0.504 220 T N 0.261 115.015 114.554 0.334 0.000 2.624 220 T HA -0.319 4.031 4.350 -0.000 0.000 0.266 220 T C 1.949 176.759 174.700 0.183 0.000 1.050 220 T CA 2.228 64.463 62.100 0.225 0.000 1.163 220 T CB -0.848 68.111 68.868 0.153 0.000 0.861 220 T HN 0.420 nan 8.240 nan 0.000 0.443 221 S N 1.433 117.217 115.700 0.140 0.000 2.380 221 S HA -0.069 4.401 4.470 -0.000 0.000 0.229 221 S C 0.995 175.707 174.600 0.187 0.000 1.043 221 S CA 0.785 59.059 58.200 0.124 0.000 1.038 221 S CB -0.781 62.467 63.200 0.081 0.000 0.872 221 S HN 0.425 nan 8.310 nan 0.000 0.456 222 L N 1.501 122.873 121.223 0.248 0.000 2.399 222 L HA 0.469 4.809 4.340 -0.000 0.000 0.266 222 L C 1.107 178.204 176.870 0.379 0.000 1.114 222 L CA -0.504 54.566 54.840 0.383 0.000 0.804 222 L CB 0.279 42.581 42.059 0.406 0.000 1.146 222 L HN 0.310 nan 8.230 nan 0.000 0.451 223 G N 1.977 110.938 108.800 0.269 0.000 2.576 223 G HA2 0.234 4.194 3.960 -0.000 0.000 0.291 223 G HA3 0.234 4.194 3.960 -0.000 0.000 0.291 223 G C -0.632 174.171 174.900 -0.160 0.000 0.782 223 G CA 0.220 45.332 45.100 0.020 0.000 1.886 223 G HN 0.270 nan 8.290 nan 0.000 0.493 224 F N -0.165 119.760 119.950 -0.041 0.000 3.049 224 F HA 0.553 5.080 4.527 -0.000 0.000 0.329 224 F C -0.090 175.703 175.800 -0.012 0.000 1.208 224 F CA -1.278 56.684 58.000 -0.064 0.000 0.956 224 F CB 2.160 41.086 39.000 -0.125 0.000 1.469 224 F HN 0.305 nan 8.300 nan 0.000 0.516 225 N N 0.053 118.887 118.700 0.223 0.000 2.655 225 N HA 0.108 4.848 4.740 -0.000 0.000 0.277 225 N C 0.063 175.636 175.510 0.105 0.000 1.177 225 N CA -0.118 53.009 53.050 0.130 0.000 0.882 225 N CB 1.032 39.574 38.487 0.092 0.000 1.481 225 N HN 0.668 nan 8.380 nan 0.000 0.547 226 E N 1.688 121.963 120.200 0.125 0.000 2.271 226 E HA -0.274 4.076 4.350 -0.000 0.000 0.209 226 E C 0.380 177.063 176.600 0.139 0.000 1.046 226 E CA 2.050 58.548 56.400 0.164 0.000 0.840 226 E CB 0.238 30.045 29.700 0.178 0.000 0.738 226 E HN 0.497 nan 8.360 nan 0.000 0.470 227 V N -1.062 118.867 119.914 0.025 0.000 2.788 227 V HA -0.008 4.112 4.120 -0.000 0.000 0.241 227 V C 1.756 177.980 176.094 0.217 0.000 1.083 227 V CA 0.930 63.233 62.300 0.006 0.000 1.103 227 V CB -0.294 31.296 31.823 -0.388 0.000 0.800 227 V HN 0.250 nan 8.190 nan 0.000 0.476 228 F N 1.018 121.055 119.950 0.145 0.000 2.446 228 F HA 0.162 4.689 4.527 -0.000 0.000 0.292 228 F C 1.017 176.874 175.800 0.095 0.000 1.096 228 F CA 0.500 58.526 58.000 0.044 0.000 1.438 228 F CB 0.461 39.463 39.000 0.003 0.000 1.107 228 F HN 0.274 nan 8.300 nan 0.000 0.546 229 S N 0.427 116.408 115.700 0.467 0.000 2.423 229 S HA 0.420 4.890 4.470 -0.000 0.000 0.213 229 S C -0.840 174.062 174.600 0.503 0.000 1.131 229 S CA -0.883 57.628 58.200 0.517 0.000 1.155 229 S CB 0.671 64.016 63.200 0.242 0.000 1.202 229 S HN 0.078 nan 8.310 nan 0.000 0.441 230 R N 2.541 123.292 120.500 0.418 0.000 2.297 230 R HA 0.367 4.707 4.340 -0.000 0.000 0.308 230 R C -1.990 174.094 176.300 -0.360 0.000 1.029 230 R CA -2.229 53.464 56.100 -0.679 0.000 0.929 230 R CB 0.603 30.026 30.300 -1.463 0.000 1.046 230 R HN 0.280 nan 8.270 nan 0.000 0.461 231 P HA -0.302 nan 4.420 nan 0.000 0.217 231 P C 0.672 177.977 177.300 0.008 0.000 1.158 231 P CA 1.485 64.466 63.100 -0.198 0.000 0.887 231 P CB 0.058 31.529 31.700 -0.382 0.000 0.792 232 E N -1.773 118.353 120.200 -0.124 0.000 2.483 232 E HA -0.212 4.138 4.350 -0.000 0.000 0.205 232 E C 0.871 177.393 176.600 -0.129 0.000 1.075 232 E CA 0.782 57.089 56.400 -0.155 0.000 0.889 232 E CB -0.880 28.672 29.700 -0.247 0.000 0.816 232 E HN 0.401 nan 8.360 nan 0.000 0.567 233 W N -0.102 121.219 121.300 0.035 0.000 3.103 233 W HA 0.341 5.001 4.660 -0.000 0.000 0.325 233 W C 1.523 178.113 176.519 0.118 0.000 1.170 233 W CA -0.360 57.030 57.345 0.075 0.000 1.712 233 W CB -0.109 29.414 29.460 0.105 0.000 1.068 233 W HN 0.117 nan 8.180 nan 0.000 0.592 234 M N 0.006 119.786 119.600 0.300 0.000 2.630 234 M HA 0.025 4.504 4.480 -0.000 0.000 0.254 234 M C 0.227 176.637 176.300 0.183 0.000 1.092 234 M CA 1.215 56.740 55.300 0.375 0.000 1.087 234 M CB -0.030 32.657 32.600 0.146 0.000 1.453 234 M HN -0.333 nan 8.290 nan 0.000 0.509 235 I N 1.521 122.131 120.570 0.067 0.000 2.382 235 I HA 0.252 4.422 4.170 -0.000 0.000 0.286 235 I C -0.496 175.684 176.117 0.105 0.000 1.002 235 I CA -0.697 60.619 61.300 0.026 0.000 1.135 235 I CB 1.389 39.342 38.000 -0.079 0.000 1.288 235 I HN 0.017 nan 8.210 nan 0.000 0.448 236 L N 5.993 127.280 121.223 0.108 0.000 2.410 236 L HA 0.299 4.639 4.340 -0.000 0.000 0.273 236 L C 0.691 177.621 176.870 0.099 0.000 1.152 236 L CA 0.080 54.974 54.840 0.091 0.000 0.855 236 L CB 0.343 42.435 42.059 0.055 0.000 1.129 236 L HN 0.653 nan 8.230 nan 0.000 0.463 237 T N -0.119 114.494 114.554 0.098 0.000 3.115 237 T HA 0.065 4.415 4.350 -0.000 0.000 0.256 237 T C 0.082 174.825 174.700 0.072 0.000 0.970 237 T CA 0.072 62.225 62.100 0.089 0.000 1.010 237 T CB 0.449 69.380 68.868 0.107 0.000 1.151 237 T HN 0.644 nan 8.240 nan 0.000 0.479 238 C N 2.280 121.625 119.300 0.075 0.000 2.455 238 C HA 0.840 5.300 4.460 -0.000 0.000 0.320 238 C C -1.341 173.671 174.990 0.038 0.000 1.226 238 C CA -1.039 58.018 59.018 0.064 0.000 1.569 238 C CB 0.268 28.067 27.740 0.097 0.000 2.200 238 C HN 0.423 nan 8.230 nan 0.000 0.491 239 L N 8.331 129.568 121.223 0.023 0.000 2.305 239 L HA 0.617 4.957 4.340 -0.000 0.000 0.284 239 L C -2.057 174.837 176.870 0.040 0.000 1.013 239 L CA -1.847 53.007 54.840 0.024 0.000 0.819 239 L CB 1.872 43.933 42.059 0.003 0.000 1.227 239 L HN 0.536 nan 8.230 nan 0.000 0.417 240 P HA 0.081 nan 4.420 nan 0.000 0.271 240 P C -0.976 176.389 177.300 0.108 0.000 1.216 240 P CA -0.108 63.084 63.100 0.153 0.000 0.776 240 P CB 1.168 33.008 31.700 0.234 0.000 0.881 241 V N 5.373 125.276 119.914 -0.019 0.000 2.257 241 V HA 0.196 4.316 4.120 -0.000 0.000 0.269 241 V C -1.870 173.930 176.094 -0.490 0.000 1.040 241 V CA -2.103 60.094 62.300 -0.172 0.000 0.813 241 V CB 0.730 32.487 31.823 -0.111 0.000 1.065 241 V HN 0.553 nan 8.190 nan 0.000 0.457 242 P HA 0.046 nan 4.420 nan 0.000 0.259 242 P C -2.545 174.498 177.300 -0.428 0.000 1.163 242 P CA -0.493 62.169 63.100 -0.730 0.000 0.760 242 P CB 0.094 31.640 31.700 -0.258 0.000 0.762 243 P HA 0.148 nan 4.420 nan 0.000 0.284 243 P C -1.808 175.417 177.300 -0.125 0.000 1.253 243 P CA -1.758 61.224 63.100 -0.198 0.000 0.800 243 P CB 0.180 31.793 31.700 -0.145 0.000 0.961 244 P HA -0.257 nan 4.420 nan 0.000 0.224 244 P C -1.196 176.064 177.300 -0.067 0.000 0.837 244 P CA 2.832 65.889 63.100 -0.071 0.000 1.060 244 P CB -2.681 28.988 31.700 -0.053 0.000 0.717 245 P HA -0.135 nan 4.420 nan 0.000 0.220 245 P C 1.476 178.750 177.300 -0.043 0.000 1.144 245 P CA 1.307 64.378 63.100 -0.048 0.000 0.808 245 P CB -0.439 31.235 31.700 -0.044 0.000 0.763 246 V N -1.198 118.685 119.914 -0.052 0.000 3.125 246 V HA 0.014 4.134 4.120 -0.000 0.000 0.249 246 V C 1.378 177.445 176.094 -0.045 0.000 1.113 246 V CA 0.962 63.239 62.300 -0.039 0.000 1.106 246 V CB -0.558 31.241 31.823 -0.040 0.000 0.768 246 V HN 0.208 nan 8.190 nan 0.000 0.468 247 R N 1.044 121.508 120.500 -0.060 0.000 2.701 247 R HA 0.346 4.686 4.340 -0.000 0.000 0.281 247 R C -3.017 173.231 176.300 -0.086 0.000 1.367 247 R CA -1.276 54.782 56.100 -0.070 0.000 1.510 247 R CB 0.215 30.476 30.300 -0.066 0.000 1.306 247 R HN 0.229 nan 8.270 nan 0.000 0.682 248 P HA -0.010 nan 4.420 nan 0.000 0.272 248 P C -0.002 177.235 177.300 -0.106 0.000 1.254 248 P CA 0.076 63.126 63.100 -0.083 0.000 0.795 248 P CB 1.152 32.811 31.700 -0.069 0.000 1.022 249 S N 0.141 115.773 115.700 -0.114 0.000 2.414 249 S HA 0.640 5.110 4.470 -0.000 0.000 0.267 249 S C 0.263 174.765 174.600 -0.162 0.000 1.165 249 S CA -0.649 57.464 58.200 -0.145 0.000 1.028 249 S CB 0.205 63.319 63.200 -0.145 0.000 1.154 249 S HN 0.493 nan 8.310 nan 0.000 0.472 250 I N 1.137 121.563 120.570 -0.239 0.000 2.710 250 I HA 0.174 4.344 4.170 -0.000 0.000 0.283 250 I C -1.396 174.351 176.117 -0.617 0.000 1.355 250 I CA -0.319 60.783 61.300 -0.329 0.000 1.094 250 I CB 2.145 39.991 38.000 -0.257 0.000 1.365 250 I HN 0.766 nan 8.210 nan 0.000 0.435 251 S N 4.929 120.326 115.700 -0.505 0.000 2.451 251 S HA 0.642 5.112 4.470 -0.000 0.000 0.301 251 S C -0.563 173.750 174.600 -0.479 0.000 1.116 251 S CA -0.630 57.252 58.200 -0.531 0.000 1.093 251 S CB 0.868 63.924 63.200 -0.239 0.000 1.017 251 S HN 0.418 nan 8.310 nan 0.000 0.482 252 F N 3.114 123.062 119.950 -0.003 0.000 2.640 252 F HA 0.372 4.899 4.527 -0.000 0.000 0.331 252 F C 1.040 176.840 175.800 -0.000 0.000 1.200 252 F CA -0.797 57.203 58.000 -0.001 0.000 1.278 252 F CB -0.862 38.139 39.000 0.001 0.000 1.571 252 F HN 0.627 nan 8.300 nan 0.000 0.576 253 N N 0.290 119.028 118.700 0.064 0.000 3.988 253 N HA -0.253 4.487 4.740 -0.000 0.000 0.229 253 N C 0.632 176.149 175.510 0.012 0.000 0.276 253 N CA 1.858 54.931 53.050 0.037 0.000 2.813 253 N CB -0.586 37.937 38.487 0.059 0.000 1.426 253 N HN 0.495 nan 8.380 nan 0.000 0.322 254 E N 0.156 120.379 120.200 0.037 0.000 4.498 254 E HA 0.294 4.644 4.350 -0.000 0.000 0.200 254 E C -0.286 176.339 176.600 0.041 0.000 1.108 254 E CA 0.208 56.621 56.400 0.023 0.000 0.970 254 E CB 0.073 29.784 29.700 0.019 0.000 2.109 254 E HN 0.377 nan 8.360 nan 0.000 0.453 255 S N 1.504 117.227 115.700 0.039 0.000 2.925 255 S HA -0.161 4.309 4.470 -0.000 0.000 0.264 255 S C -0.024 174.621 174.600 0.075 0.000 0.705 255 S CA 0.669 58.896 58.200 0.045 0.000 2.141 255 S CB -0.833 62.388 63.200 0.035 0.000 1.245 255 S HN 0.288 nan 8.310 nan 0.000 0.661 256 Q N 0.219 120.076 119.800 0.095 0.000 2.816 256 Q HA 0.536 4.875 4.340 -0.000 0.000 0.351 256 Q C 0.206 176.280 176.000 0.123 0.000 0.761 256 Q CA -1.256 54.645 55.803 0.163 0.000 0.852 256 Q CB 1.135 30.070 28.738 0.329 0.000 1.280 256 Q HN 0.400 nan 8.270 nan 0.000 0.513 257 R N -1.081 119.525 120.500 0.177 0.000 2.624 257 R HA 0.650 4.990 4.340 -0.000 0.000 0.104 257 R C -0.064 176.198 176.300 -0.064 0.000 1.178 257 R CA 0.038 56.188 56.100 0.083 0.000 0.986 257 R CB 0.264 30.651 30.300 0.145 0.000 0.855 257 R HN 0.817 nan 8.270 nan 0.000 0.386 258 G N 1.091 109.886 108.800 -0.008 0.000 2.151 258 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.140 258 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.140 258 G C -0.345 174.469 174.900 -0.143 0.000 1.020 258 G CA -0.498 44.507 45.100 -0.158 0.000 0.688 258 G HN 0.184 nan 8.290 nan 0.000 0.500 259 E N 0.950 121.073 120.200 -0.127 0.000 2.418 259 E HA 0.210 4.560 4.350 -0.000 0.000 0.261 259 E C -0.114 176.262 176.600 -0.372 0.000 1.070 259 E CA -0.085 56.160 56.400 -0.259 0.000 0.931 259 E CB 0.813 30.322 29.700 -0.317 0.000 0.954 259 E HN 0.371 nan 8.360 nan 0.000 0.439 260 D N 0.999 121.180 120.400 -0.365 0.000 2.210 260 D HA 0.025 4.665 4.640 -0.000 0.000 0.249 260 D C 0.253 176.303 176.300 -0.416 0.000 1.062 260 D CA -0.361 53.457 54.000 -0.304 0.000 0.891 260 D CB 0.922 41.614 40.800 -0.181 0.000 1.186 260 D HN 0.197 nan 8.370 nan 0.000 0.432 261 D N 2.280 122.514 120.400 -0.278 0.000 2.268 261 D HA -0.252 4.388 4.640 -0.000 0.000 0.189 261 D C 1.994 178.233 176.300 -0.102 0.000 1.010 261 D CA 1.666 55.564 54.000 -0.170 0.000 0.862 261 D CB 0.022 40.798 40.800 -0.039 0.000 0.943 261 D HN 0.415 nan 8.370 nan 0.000 0.451 262 L N 0.096 121.288 121.223 -0.051 0.000 1.978 262 L HA -0.231 4.109 4.340 -0.000 0.000 0.218 262 L C 2.265 179.142 176.870 0.011 0.000 1.075 262 L CA 1.642 56.507 54.840 0.042 0.000 0.767 262 L CB -0.875 41.221 42.059 0.062 0.000 0.890 262 L HN 0.121 nan 8.230 nan 0.000 0.434 263 T N -0.430 114.072 114.554 -0.088 0.000 3.070 263 T HA -0.173 4.177 4.350 -0.000 0.000 0.270 263 T C 1.254 175.998 174.700 0.074 0.000 1.175 263 T CA 1.080 63.137 62.100 -0.072 0.000 1.073 263 T CB -0.381 68.400 68.868 -0.145 0.000 0.840 263 T HN 0.273 nan 8.240 nan 0.000 0.576 264 F N 0.108 120.043 119.950 -0.025 0.000 2.480 264 F HA 0.158 4.685 4.527 -0.000 0.000 0.280 264 F C 2.178 177.934 175.800 -0.073 0.000 1.002 264 F CA -0.370 57.608 58.000 -0.037 0.000 1.325 264 F CB 0.184 39.170 39.000 -0.022 0.000 1.134 264 F HN -0.115 nan 8.300 nan 0.000 0.646 265 K N 1.209 121.696 120.400 0.145 0.000 2.113 265 K HA -0.170 4.150 4.320 -0.000 0.000 0.208 265 K C 1.744 178.278 176.600 -0.110 0.000 1.047 265 K CA 1.206 57.488 56.287 -0.009 0.000 0.928 265 K CB -0.693 31.854 32.500 0.079 0.000 0.716 265 K HN 0.249 nan 8.250 nan 0.000 0.446 266 L N -0.319 120.832 121.223 -0.120 0.000 1.976 266 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 266 L C 2.390 179.216 176.870 -0.074 0.000 1.071 266 L CA 1.377 56.101 54.840 -0.193 0.000 0.746 266 L CB -0.885 41.070 42.059 -0.173 0.000 0.890 266 L HN 0.210 nan 8.230 nan 0.000 0.432 267 A N 0.202 123.027 122.820 0.009 0.000 1.929 267 A HA -0.336 3.984 4.320 -0.000 0.000 0.221 267 A C 1.939 179.520 177.584 -0.006 0.000 1.211 267 A CA 2.531 54.588 52.037 0.032 0.000 0.657 267 A CB -0.802 18.259 19.000 0.101 0.000 0.827 267 A HN 0.454 nan 8.150 nan 0.000 0.462 268 D N -0.346 120.026 120.400 -0.047 0.000 2.081 268 D HA -0.116 4.524 4.640 -0.000 0.000 0.194 268 D C 1.980 178.332 176.300 0.086 0.000 0.986 268 D CA 1.398 55.362 54.000 -0.060 0.000 0.837 268 D CB -0.557 39.994 40.800 -0.414 0.000 0.985 268 D HN 0.478 nan 8.370 nan 0.000 0.448 269 I N 0.714 121.318 120.570 0.057 0.000 2.147 269 I HA -0.322 3.848 4.170 -0.000 0.000 0.245 269 I C 2.399 178.549 176.117 0.056 0.000 1.059 269 I CA 0.751 62.117 61.300 0.111 0.000 1.320 269 I CB -0.249 37.726 38.000 -0.041 0.000 1.021 269 I HN 0.084 nan 8.210 nan 0.000 0.415 270 L N 0.934 122.158 121.223 0.002 0.000 1.943 270 L HA -0.247 4.093 4.340 -0.000 0.000 0.215 270 L C 2.446 179.324 176.870 0.013 0.000 1.074 270 L CA 1.972 56.807 54.840 -0.008 0.000 0.759 270 L CB -1.044 41.006 42.059 -0.015 0.000 0.888 270 L HN 0.133 nan 8.230 nan 0.000 0.433 271 K N -0.636 119.780 120.400 0.026 0.000 2.030 271 K HA -0.295 4.025 4.320 -0.000 0.000 0.222 271 K C 1.893 178.514 176.600 0.035 0.000 1.056 271 K CA 2.193 58.497 56.287 0.028 0.000 0.957 271 K CB -0.738 31.787 32.500 0.042 0.000 0.727 271 K HN 0.518 nan 8.250 nan 0.000 0.452 272 A N 1.092 123.959 122.820 0.078 0.000 2.139 272 A HA -0.241 4.079 4.320 -0.000 0.000 0.221 272 A C 1.825 179.420 177.584 0.019 0.000 1.159 272 A CA 2.047 54.114 52.037 0.048 0.000 0.662 272 A CB -0.639 18.400 19.000 0.066 0.000 0.796 272 A HN 0.414 nan 8.150 nan 0.000 0.463 273 N N -0.159 118.552 118.700 0.018 0.000 2.182 273 N HA 0.014 4.754 4.740 -0.000 0.000 0.186 273 N C 1.525 177.029 175.510 -0.009 0.000 1.036 273 N CA 1.400 54.450 53.050 0.001 0.000 0.850 273 N CB -0.265 38.216 38.487 -0.011 0.000 1.010 273 N HN 0.417 nan 8.380 nan 0.000 0.432 274 I N 0.537 121.095 120.570 -0.019 0.000 2.127 274 I HA -0.315 3.855 4.170 -0.000 0.000 0.241 274 I C 2.409 178.517 176.117 -0.016 0.000 1.075 274 I CA 1.458 62.741 61.300 -0.028 0.000 1.334 274 I CB -0.703 37.268 38.000 -0.048 0.000 1.040 274 I HN 0.319 nan 8.210 nan 0.000 0.405 275 S N 1.532 117.224 115.700 -0.013 0.000 2.372 275 S HA -0.280 4.190 4.470 -0.000 0.000 0.227 275 S C 2.001 176.594 174.600 -0.012 0.000 1.044 275 S CA 1.632 59.825 58.200 -0.012 0.000 1.050 275 S CB -1.004 62.189 63.200 -0.011 0.000 0.901 275 S HN 0.366 nan 8.310 nan 0.000 0.447 276 L N 2.020 123.236 121.223 -0.011 0.000 1.932 276 L HA -0.095 4.245 4.340 -0.000 0.000 0.217 276 L C 2.664 179.530 176.870 -0.007 0.000 1.077 276 L CA 2.705 57.538 54.840 -0.012 0.000 0.765 276 L CB -1.294 40.760 42.059 -0.009 0.000 0.888 276 L HN 0.584 nan 8.230 nan 0.000 0.433 277 E N -1.086 119.118 120.200 0.006 0.000 2.119 277 E HA -0.354 3.996 4.350 -0.000 0.000 0.221 277 E C 1.699 178.336 176.600 0.062 0.000 1.062 277 E CA 2.620 59.044 56.400 0.040 0.000 0.894 277 E CB -0.451 29.280 29.700 0.052 0.000 0.785 277 E HN 0.641 nan 8.360 nan 0.000 0.472 278 T N 0.946 115.524 114.554 0.041 0.000 3.093 278 T HA -0.105 4.245 4.350 -0.000 0.000 0.270 278 T C 1.465 176.177 174.700 0.020 0.000 1.170 278 T CA 0.737 62.860 62.100 0.039 0.000 1.072 278 T CB -0.098 68.773 68.868 0.006 0.000 0.863 278 T HN 0.220 nan 8.240 nan 0.000 0.562 279 L N -0.270 120.950 121.223 -0.006 0.000 2.425 279 L HA 0.212 4.552 4.340 -0.000 0.000 0.215 279 L C 2.089 178.913 176.870 -0.076 0.000 1.065 279 L CA 0.553 55.371 54.840 -0.036 0.000 0.842 279 L CB -0.073 41.962 42.059 -0.040 0.000 1.033 279 L HN 0.221 nan 8.230 nan 0.000 0.474 280 E N -0.495 119.635 120.200 -0.117 0.000 2.502 280 E HA -0.044 4.306 4.350 -0.000 0.000 0.194 280 E C 0.594 176.931 176.600 -0.437 0.000 1.062 280 E CA 0.323 56.570 56.400 -0.255 0.000 0.867 280 E CB 0.240 29.765 29.700 -0.292 0.000 0.888 280 E HN 0.466 nan 8.360 nan 0.000 0.510 281 H N -1.083 117.965 119.070 -0.036 0.000 3.230 281 H HA 0.294 4.850 4.556 -0.000 0.000 0.259 281 H C 0.162 175.468 175.328 -0.038 0.000 1.195 281 H CA -0.131 55.897 56.048 -0.033 0.000 1.112 281 H CB 0.694 30.439 29.762 -0.028 0.000 1.638 281 H HN 0.018 nan 8.280 nan 0.000 0.624 282 N N -0.368 118.350 118.700 0.030 0.000 3.455 282 N HA 0.190 4.930 4.740 -0.000 0.000 0.358 282 N C 0.429 175.915 175.510 -0.040 0.000 1.580 282 N CA -0.356 52.694 53.050 0.002 0.000 0.692 282 N CB 0.618 39.106 38.487 0.002 0.000 1.978 282 N HN 0.133 nan 8.380 nan 0.000 0.651 283 G N 0.273 109.047 108.800 -0.042 0.000 2.472 283 G HA2 0.330 4.290 3.960 -0.000 0.000 0.291 283 G HA3 0.330 4.290 3.960 -0.000 0.000 0.291 283 G C -0.146 174.701 174.900 -0.088 0.000 0.898 283 G CA 0.032 45.094 45.100 -0.063 0.000 1.645 283 G HN 0.519 nan 8.290 nan 0.000 0.459 284 A N 5.700 128.439 122.820 -0.134 0.000 2.798 284 A HA 0.531 4.851 4.320 -0.000 0.000 0.316 284 A C -1.386 176.050 177.584 -0.247 0.000 1.506 284 A CA -1.411 50.521 52.037 -0.176 0.000 1.162 284 A CB 0.402 19.278 19.000 -0.207 0.000 1.138 284 A HN 0.511 nan 8.150 nan 0.000 0.532 285 P HA 0.003 nan 4.420 nan 0.000 0.241 285 P C 0.692 177.927 177.300 -0.109 0.000 1.760 285 P CA 0.055 63.076 63.100 -0.132 0.000 1.081 285 P CB -0.317 31.348 31.700 -0.058 0.000 1.975 286 H N 1.446 120.418 119.070 -0.164 0.000 1.455 286 H HA -0.248 4.308 4.556 -0.000 0.000 0.091 286 H C 0.556 175.695 175.328 -0.316 0.000 1.257 286 H CA 2.167 58.020 56.048 -0.324 0.000 1.900 286 H CB -1.240 28.207 29.762 -0.524 0.000 2.256 286 H HN 0.619 nan 8.280 nan 0.000 0.960 287 H N -0.299 118.851 119.070 0.134 0.000 2.591 287 H HA 0.580 5.135 4.556 -0.000 0.000 0.302 287 H C 0.748 176.093 175.328 0.028 0.000 1.163 287 H CA 0.660 56.744 56.048 0.059 0.000 1.049 287 H CB 0.133 29.920 29.762 0.042 0.000 1.543 287 H HN 0.467 nan 8.280 nan 0.000 0.523 288 A N -0.026 122.847 122.820 0.088 0.000 2.585 288 A HA 0.262 4.582 4.320 -0.000 0.000 0.266 288 A C 1.588 179.183 177.584 0.019 0.000 1.178 288 A CA -0.163 51.899 52.037 0.042 0.000 0.966 288 A CB 0.246 19.256 19.000 0.017 0.000 1.170 288 A HN 0.293 nan 8.150 nan 0.000 0.558 289 I N 0.245 120.833 120.570 0.030 0.000 2.512 289 I HA -0.080 4.090 4.170 -0.000 0.000 0.247 289 I C 1.990 178.118 176.117 0.019 0.000 1.094 289 I CA 0.909 62.216 61.300 0.012 0.000 1.427 289 I CB -0.000 38.004 38.000 0.006 0.000 1.149 289 I HN 0.522 nan 8.210 nan 0.000 0.438 290 E N 1.181 121.411 120.200 0.051 0.000 2.527 290 E HA -0.200 4.150 4.350 -0.000 0.000 0.204 290 E C 0.911 177.515 176.600 0.006 0.000 1.132 290 E CA 0.651 57.071 56.400 0.034 0.000 0.905 290 E CB -0.293 29.441 29.700 0.057 0.000 0.875 290 E HN 0.590 nan 8.360 nan 0.000 0.548 291 E N -0.119 120.081 120.200 -0.001 0.000 2.473 291 E HA 0.155 4.505 4.350 -0.000 0.000 0.204 291 E C 1.342 177.917 176.600 -0.041 0.000 0.994 291 E CA 0.424 56.812 56.400 -0.021 0.000 0.945 291 E CB 0.632 30.323 29.700 -0.014 0.000 0.990 291 E HN 0.366 nan 8.360 nan 0.000 0.493 292 A N 0.569 123.368 122.820 -0.034 0.000 2.419 292 A HA 0.078 4.398 4.320 -0.000 0.000 0.233 292 A C 1.607 179.166 177.584 -0.043 0.000 1.217 292 A CA -0.156 51.853 52.037 -0.047 0.000 0.944 292 A CB 0.318 19.296 19.000 -0.036 0.000 1.025 292 A HN 0.031 nan 8.150 nan 0.000 0.524 293 E N 0.701 120.884 120.200 -0.029 0.000 2.447 293 E HA -0.063 4.287 4.350 -0.000 0.000 0.195 293 E C 1.689 178.273 176.600 -0.027 0.000 1.028 293 E CA 1.054 57.442 56.400 -0.020 0.000 0.876 293 E CB 0.194 29.889 29.700 -0.008 0.000 0.885 293 E HN 0.660 nan 8.360 nan 0.000 0.500 294 S N 0.287 115.964 115.700 -0.038 0.000 2.425 294 S HA -0.098 4.372 4.470 -0.000 0.000 0.225 294 S C 2.033 176.620 174.600 -0.022 0.000 1.024 294 S CA 0.243 58.423 58.200 -0.033 0.000 0.951 294 S CB -0.254 62.918 63.200 -0.046 0.000 0.796 294 S HN 0.223 nan 8.310 nan 0.000 0.498 295 L N 1.135 122.306 121.223 -0.087 0.000 2.012 295 L HA 0.074 4.414 4.340 -0.000 0.000 0.210 295 L C 2.254 179.038 176.870 -0.143 0.000 1.073 295 L CA 1.556 56.288 54.840 -0.182 0.000 0.748 295 L CB -0.918 41.007 42.059 -0.223 0.000 0.891 295 L HN 0.394 nan 8.230 nan 0.000 0.431 296 L N -0.485 120.700 121.223 -0.064 0.000 1.976 296 L HA -0.221 4.119 4.340 -0.000 0.000 0.209 296 L C 2.631 179.542 176.870 0.068 0.000 1.071 296 L CA 2.173 57.015 54.840 0.004 0.000 0.746 296 L CB -1.031 41.037 42.059 0.014 0.000 0.890 296 L HN 0.511 nan 8.230 nan 0.000 0.432 297 Q N -0.984 118.849 119.800 0.056 0.000 2.197 297 Q HA -0.308 4.032 4.340 -0.000 0.000 0.211 297 Q C 2.005 178.079 176.000 0.124 0.000 0.993 297 Q CA 2.463 58.307 55.803 0.069 0.000 0.883 297 Q CB -0.728 28.012 28.738 0.004 0.000 0.916 297 Q HN 0.561 nan 8.270 nan 0.000 0.418 298 F N -0.337 119.601 119.950 -0.020 0.000 2.009 298 F HA -0.139 4.388 4.527 -0.000 0.000 0.293 298 F C 2.068 177.950 175.800 0.137 0.000 1.156 298 F CA 2.291 60.303 58.000 0.020 0.000 1.168 298 F CB -0.762 38.205 39.000 -0.055 0.000 0.981 298 F HN 0.245 nan 8.300 nan 0.000 0.475 299 H N -0.601 118.588 119.070 0.199 0.000 2.252 299 H HA -0.209 4.346 4.556 -0.000 0.000 0.292 299 H C 2.076 177.415 175.328 0.018 0.000 1.082 299 H CA 1.681 57.764 56.048 0.058 0.000 1.229 299 H CB -0.732 29.116 29.762 0.144 0.000 1.353 299 H HN 0.163 nan 8.280 nan 0.000 0.488 300 V N 0.799 120.834 119.914 0.201 0.000 3.244 300 V HA -0.261 3.859 4.120 -0.000 0.000 0.273 300 V C 1.966 178.167 176.094 0.179 0.000 1.180 300 V CA 1.295 63.697 62.300 0.170 0.000 1.182 300 V CB -1.047 30.851 31.823 0.126 0.000 0.796 300 V HN 0.534 nan 8.190 nan 0.000 0.543 301 A N -1.222 121.651 122.820 0.089 0.000 1.970 301 A HA 0.008 4.327 4.320 -0.000 0.000 0.204 301 A C 2.252 179.821 177.584 -0.025 0.000 1.325 301 A CA 1.144 53.203 52.037 0.038 0.000 0.767 301 A CB -0.432 18.560 19.000 -0.013 0.000 0.949 301 A HN 0.331 nan 8.150 nan 0.000 0.481 302 T N -1.185 113.273 114.554 -0.160 0.000 2.821 302 T HA -0.155 4.195 4.350 -0.000 0.000 0.267 302 T C 1.721 176.423 174.700 0.004 0.000 1.046 302 T CA 1.788 63.783 62.100 -0.175 0.000 1.139 302 T CB -0.483 68.149 68.868 -0.394 0.000 0.871 302 T HN 0.505 nan 8.240 nan 0.000 0.454 303 Y N 1.361 121.625 120.300 -0.061 0.000 2.139 303 Y HA -0.223 4.327 4.550 -0.000 0.000 0.282 303 Y C 1.964 177.869 175.900 0.008 0.000 1.179 303 Y CA 1.704 59.794 58.100 -0.017 0.000 1.161 303 Y CB -0.407 38.057 38.460 0.007 0.000 0.970 303 Y HN 0.268 nan 8.280 nan 0.000 0.511 304 M N -1.187 118.363 119.600 -0.083 0.000 2.447 304 M HA 0.047 4.527 4.480 -0.000 0.000 0.266 304 M C -0.057 176.217 176.300 -0.044 0.000 1.120 304 M CA 0.836 56.044 55.300 -0.154 0.000 1.166 304 M CB 0.298 32.895 32.600 -0.006 0.000 1.349 304 M HN 0.037 nan 8.290 nan 0.000 0.463 305 D N -0.707 119.683 120.400 -0.017 0.000 2.738 305 D HA 0.245 4.885 4.640 -0.000 0.000 0.237 305 D C -0.847 175.430 176.300 -0.038 0.000 1.123 305 D CA -0.091 53.900 54.000 -0.015 0.000 0.856 305 D CB 1.600 42.409 40.800 0.014 0.000 1.552 305 D HN -0.117 nan 8.370 nan 0.000 0.480 306 N N 1.301 119.983 118.700 -0.029 0.000 2.118 306 N HA 0.055 4.795 4.740 -0.000 0.000 0.226 306 N C -0.975 174.531 175.510 -0.006 0.000 1.305 306 N CA 0.045 53.080 53.050 -0.026 0.000 0.890 306 N CB 0.874 39.353 38.487 -0.014 0.000 1.118 306 N HN 0.394 nan 8.380 nan 0.000 0.511 307 D N 1.427 121.823 120.400 -0.007 0.000 2.970 307 D HA 0.239 4.879 4.640 -0.000 0.000 0.282 307 D C 0.417 176.721 176.300 0.007 0.000 1.291 307 D CA -0.070 53.930 54.000 0.001 0.000 0.967 307 D CB 0.930 41.724 40.800 -0.009 0.000 1.017 307 D HN 0.279 nan 8.370 nan 0.000 0.512 308 I N -0.111 120.469 120.570 0.016 0.000 3.244 308 I HA 0.248 4.418 4.170 -0.000 0.000 0.314 308 I C 1.662 177.798 176.117 0.032 0.000 1.043 308 I CA -0.634 60.681 61.300 0.025 0.000 1.099 308 I CB 0.957 38.977 38.000 0.032 0.000 1.449 308 I HN -0.022 nan 8.210 nan 0.000 0.625 309 A N 1.563 124.405 122.820 0.036 0.000 2.095 309 A HA 0.192 4.512 4.320 -0.000 0.000 0.212 309 A C 1.640 179.251 177.584 0.044 0.000 1.162 309 A CA 0.674 52.732 52.037 0.035 0.000 0.753 309 A CB -0.632 18.388 19.000 0.032 0.000 0.840 309 A HN 0.893 nan 8.150 nan 0.000 0.468 310 G N -0.472 108.362 108.800 0.056 0.000 3.455 310 G HA2 0.329 4.289 3.960 -0.000 0.000 0.250 310 G HA3 0.329 4.289 3.960 -0.000 0.000 0.250 310 G C 0.566 175.516 174.900 0.083 0.000 1.071 310 G CA 0.367 45.508 45.100 0.068 0.000 1.812 310 G HN 0.548 nan 8.290 nan 0.000 0.643 311 Q N -0.193 119.646 119.800 0.067 0.000 2.686 311 Q HA -0.266 4.074 4.340 -0.000 0.000 0.458 311 Q C -1.234 174.824 176.000 0.096 0.000 0.801 311 Q CA 2.011 57.855 55.803 0.068 0.000 1.005 311 Q CB -2.017 26.753 28.738 0.054 0.000 1.537 311 Q HN 0.451 nan 8.270 nan 0.000 1.090 312 P HA -0.199 nan 4.420 nan 0.000 0.251 312 P C -0.414 177.006 177.300 0.199 0.000 1.105 312 P CA 1.216 64.413 63.100 0.162 0.000 0.775 312 P CB 0.107 31.927 31.700 0.201 0.000 0.689 313 Q N 3.092 122.982 119.800 0.150 0.000 2.425 313 Q HA 0.118 4.458 4.340 -0.000 0.000 0.204 313 Q C 1.048 177.145 176.000 0.161 0.000 0.933 313 Q CA 0.664 56.541 55.803 0.124 0.000 0.939 313 Q CB 0.126 28.912 28.738 0.081 0.000 1.044 313 Q HN 0.650 nan 8.270 nan 0.000 0.513 314 A N 0.838 123.819 122.820 0.268 0.000 2.846 314 A HA -0.182 4.138 4.320 -0.000 0.000 0.287 314 A C 0.091 177.780 177.584 0.174 0.000 1.469 314 A CA 0.125 52.355 52.037 0.323 0.000 0.757 314 A CB -2.343 16.838 19.000 0.302 0.000 1.033 314 A HN 0.400 nan 8.150 nan 0.000 0.516 315 L N 0.156 121.457 121.223 0.130 0.000 2.601 315 L HA 0.034 4.374 4.340 -0.000 0.000 0.277 315 L C 1.153 178.071 176.870 0.081 0.000 1.219 315 L CA 0.638 55.531 54.840 0.088 0.000 0.915 315 L CB 0.387 42.487 42.059 0.068 0.000 1.160 315 L HN 0.702 nan 8.230 nan 0.000 0.494 316 Q N 5.046 124.890 119.800 0.074 0.000 2.256 316 Q HA 0.137 4.477 4.340 -0.000 0.000 0.254 316 Q C -0.500 175.530 176.000 0.051 0.000 0.916 316 Q CA -0.808 55.034 55.803 0.066 0.000 0.932 316 Q CB 1.019 29.814 28.738 0.095 0.000 1.207 316 Q HN 0.409 nan 8.270 nan 0.000 0.426 317 K N 2.315 122.732 120.400 0.028 0.000 2.408 317 K HA -0.224 4.096 4.320 -0.000 0.000 0.253 317 K C 0.218 176.838 176.600 0.033 0.000 1.083 317 K CA 1.467 57.766 56.287 0.019 0.000 1.172 317 K CB -0.350 32.148 32.500 -0.003 0.000 0.760 317 K HN 0.990 nan 8.250 nan 0.000 0.492 318 S N 0.067 115.785 115.700 0.029 0.000 1.934 318 S HA -0.106 4.364 4.470 -0.000 0.000 0.250 318 S C 0.893 175.512 174.600 0.031 0.000 1.384 318 S CA 0.775 58.993 58.200 0.030 0.000 1.104 318 S CB -1.868 61.355 63.200 0.038 0.000 1.409 318 S HN 1.513 nan 8.310 nan 0.000 0.645 319 G N 1.637 110.457 108.800 0.034 0.000 2.166 319 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.260 319 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.260 319 G C -0.110 174.813 174.900 0.039 0.000 0.986 319 G CA 0.659 45.780 45.100 0.036 0.000 0.683 319 G HN 0.973 nan 8.290 nan 0.000 0.527 320 R N 0.579 121.105 120.500 0.044 0.000 2.316 320 R HA 0.294 4.634 4.340 -0.000 0.000 0.314 320 R C -0.624 175.707 176.300 0.051 0.000 1.069 320 R CA -1.261 54.865 56.100 0.045 0.000 0.959 320 R CB 0.579 30.909 30.300 0.050 0.000 0.987 320 R HN 0.045 nan 8.270 nan 0.000 0.446 321 P HA -0.268 nan 4.420 nan 0.000 0.222 321 P C -0.562 176.769 177.300 0.051 0.000 1.147 321 P CA 1.302 64.429 63.100 0.044 0.000 0.958 321 P CB 0.137 31.855 31.700 0.031 0.000 0.788 322 V N -3.159 116.784 119.914 0.047 0.000 2.981 322 V HA -0.097 4.023 4.120 -0.000 0.000 0.433 322 V C -0.407 175.705 176.094 0.030 0.000 0.682 322 V CA -0.348 61.983 62.300 0.051 0.000 1.966 322 V CB -0.886 30.973 31.823 0.060 0.000 2.457 322 V HN 0.138 nan 8.190 nan 0.000 0.487 323 K N 3.806 124.219 120.400 0.023 0.000 2.171 323 K HA 0.432 4.752 4.320 -0.000 0.000 0.274 323 K C 0.689 177.284 176.600 -0.008 0.000 1.110 323 K CA 0.355 56.643 56.287 0.002 0.000 0.952 323 K CB 0.552 33.049 32.500 -0.006 0.000 1.309 323 K HN 0.836 nan 8.250 nan 0.000 0.414 324 S N 1.911 117.601 115.700 -0.018 0.000 2.558 324 S HA 0.046 4.516 4.470 -0.000 0.000 0.288 324 S C 1.542 176.093 174.600 -0.083 0.000 1.318 324 S CA -0.619 57.555 58.200 -0.044 0.000 1.056 324 S CB 0.531 63.706 63.200 -0.043 0.000 0.853 324 S HN 0.448 nan 8.310 nan 0.000 0.505 325 I N 1.745 122.223 120.570 -0.154 0.000 2.091 325 I HA -0.340 3.830 4.170 -0.000 0.000 0.240 325 I C 2.977 179.020 176.117 -0.122 0.000 1.046 325 I CA 2.326 63.526 61.300 -0.167 0.000 1.306 325 I CB -0.499 37.340 38.000 -0.269 0.000 1.018 325 I HN 0.868 nan 8.210 nan 0.000 0.404 326 R N 1.598 122.028 120.500 -0.118 0.000 2.133 326 R HA -0.287 4.053 4.340 -0.000 0.000 0.245 326 R C 2.258 178.488 176.300 -0.116 0.000 1.137 326 R CA 2.327 58.344 56.100 -0.138 0.000 0.947 326 R CB -0.583 29.648 30.300 -0.116 0.000 0.865 326 R HN 0.395 nan 8.270 nan 0.000 0.437 327 A N 1.000 123.771 122.820 -0.083 0.000 2.084 327 A HA -0.171 4.149 4.320 -0.000 0.000 0.221 327 A C 2.156 179.703 177.584 -0.061 0.000 1.161 327 A CA 1.638 53.637 52.037 -0.064 0.000 0.653 327 A CB -0.526 18.448 19.000 -0.043 0.000 0.802 327 A HN 0.484 nan 8.150 nan 0.000 0.457 328 R N -0.844 119.616 120.500 -0.067 0.000 2.148 328 R HA 0.048 4.388 4.340 -0.000 0.000 0.223 328 R C 1.432 177.696 176.300 -0.060 0.000 1.088 328 R CA 1.242 57.308 56.100 -0.057 0.000 0.985 328 R CB -0.247 30.020 30.300 -0.055 0.000 0.880 328 R HN 0.585 nan 8.270 nan 0.000 0.451 329 L N -0.115 121.058 121.223 -0.083 0.000 2.556 329 L HA 0.174 4.514 4.340 -0.000 0.000 0.226 329 L C 0.823 177.641 176.870 -0.087 0.000 1.089 329 L CA -0.231 54.556 54.840 -0.088 0.000 0.864 329 L CB -0.149 41.837 42.059 -0.122 0.000 1.067 329 L HN -0.065 nan 8.230 nan 0.000 0.477 330 K N 2.068 122.414 120.400 -0.090 0.000 2.586 330 K HA 0.031 4.351 4.320 -0.000 0.000 0.280 330 K C 0.732 177.300 176.600 -0.055 0.000 0.972 330 K CA 0.367 56.605 56.287 -0.082 0.000 1.040 330 K CB 0.427 32.883 32.500 -0.073 0.000 0.870 330 K HN 0.151 nan 8.250 nan 0.000 0.497 331 G N 3.360 112.130 108.800 -0.049 0.000 2.163 331 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.239 331 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.239 331 G C -0.543 174.357 174.900 -0.000 0.000 1.148 331 G CA 0.607 45.699 45.100 -0.015 0.000 0.880 331 G HN 0.912 nan 8.290 nan 0.000 0.466 332 K N 1.398 121.807 120.400 0.014 0.000 6.951 332 K HA -0.229 4.091 4.320 -0.000 0.000 0.575 332 K C 0.882 177.483 176.600 0.001 0.000 2.580 332 K CA 1.200 57.496 56.287 0.015 0.000 2.030 332 K CB -0.456 32.056 32.500 0.021 0.000 2.303 332 K HN 0.878 nan 8.250 nan 0.000 0.183 333 E N -1.835 118.367 120.200 0.003 0.000 3.208 333 E HA -0.249 4.101 4.350 -0.000 0.000 0.277 333 E C 0.276 176.871 176.600 -0.008 0.000 0.989 333 E CA 2.019 58.418 56.400 -0.002 0.000 0.850 333 E CB -1.516 28.182 29.700 -0.003 0.000 1.429 333 E HN 0.812 nan 8.360 nan 0.000 0.463 334 G N -0.483 108.311 108.800 -0.011 0.000 2.732 334 G HA2 0.450 4.410 3.960 -0.000 0.000 0.295 334 G HA3 0.450 4.410 3.960 -0.000 0.000 0.295 334 G C 0.340 175.226 174.900 -0.022 0.000 1.456 334 G CA 0.078 45.166 45.100 -0.020 0.000 1.050 334 G HN -0.005 nan 8.290 nan 0.000 0.525 335 R N 1.073 121.560 120.500 -0.022 0.000 3.571 335 R HA -0.345 3.995 4.340 -0.000 0.000 0.521 335 R C 2.250 178.539 176.300 -0.017 0.000 0.320 335 R CA 2.362 58.450 56.100 -0.021 0.000 0.521 335 R CB -1.302 28.979 30.300 -0.030 0.000 0.607 335 R HN 0.516 nan 8.270 nan 0.000 0.285 336 I N 0.105 120.660 120.570 -0.024 0.000 2.064 336 I HA -0.340 3.830 4.170 -0.000 0.000 0.234 336 I C 2.532 178.646 176.117 -0.004 0.000 1.019 336 I CA 2.353 63.643 61.300 -0.016 0.000 1.301 336 I CB -1.079 36.906 38.000 -0.026 0.000 1.017 336 I HN 0.457 nan 8.210 nan 0.000 0.392 337 R N 0.209 120.710 120.500 0.001 0.000 2.090 337 R HA -0.073 4.267 4.340 -0.000 0.000 0.228 337 R C 1.998 178.303 176.300 0.007 0.000 1.110 337 R CA 1.364 57.472 56.100 0.012 0.000 0.973 337 R CB -0.272 30.045 30.300 0.028 0.000 0.869 337 R HN 0.500 nan 8.270 nan 0.000 0.440 338 G N -0.977 107.824 108.800 0.002 0.000 3.088 338 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.217 338 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.217 338 G C 0.822 175.722 174.900 -0.001 0.000 1.159 338 G CA -0.139 44.962 45.100 0.002 0.000 0.760 338 G HN 0.225 nan 8.290 nan 0.000 0.550 339 N N -0.718 117.979 118.700 -0.004 0.000 2.325 339 N HA 0.221 4.961 4.740 -0.000 0.000 0.220 339 N C 1.698 177.205 175.510 -0.005 0.000 1.176 339 N CA -0.020 53.028 53.050 -0.004 0.000 0.861 339 N CB 0.728 39.211 38.487 -0.007 0.000 1.230 339 N HN 0.199 nan 8.380 nan 0.000 0.479 340 L N 0.219 121.439 121.223 -0.006 0.000 2.433 340 L HA 0.258 4.598 4.340 -0.000 0.000 0.200 340 L C 1.667 178.532 176.870 -0.009 0.000 1.059 340 L CA 0.357 55.193 54.840 -0.007 0.000 0.835 340 L CB -0.042 42.014 42.059 -0.006 0.000 1.076 340 L HN -0.016 nan 8.230 nan 0.000 0.481 341 M N 0.009 119.605 119.600 -0.007 0.000 2.659 341 M HA 0.192 4.672 4.480 -0.000 0.000 0.243 341 M C 0.553 176.844 176.300 -0.014 0.000 1.111 341 M CA 0.382 55.677 55.300 -0.010 0.000 1.070 341 M CB -0.516 32.083 32.600 -0.003 0.000 1.525 341 M HN 0.209 nan 8.290 nan 0.000 0.517 342 G N 0.777 109.570 108.800 -0.011 0.000 2.715 342 G HA2 0.498 4.458 3.960 -0.000 0.000 0.297 342 G HA3 0.498 4.458 3.960 -0.000 0.000 0.297 342 G C -1.128 173.769 174.900 -0.006 0.000 1.386 342 G CA -0.771 44.322 45.100 -0.012 0.000 1.157 342 G HN 0.163 nan 8.290 nan 0.000 0.585 343 K N 0.918 121.314 120.400 -0.007 0.000 2.409 343 K HA 0.644 4.964 4.320 -0.000 0.000 0.252 343 K C -0.172 176.436 176.600 0.014 0.000 1.036 343 K CA -1.114 55.174 56.287 0.002 0.000 0.871 343 K CB 2.419 34.919 32.500 0.000 0.000 1.374 343 K HN 0.387 nan 8.250 nan 0.000 0.459 344 R N 0.753 121.267 120.500 0.024 0.000 2.500 344 R HA 0.460 4.800 4.340 -0.000 0.000 0.275 344 R C -0.301 176.029 176.300 0.050 0.000 1.051 344 R CA -0.680 55.444 56.100 0.041 0.000 1.088 344 R CB 1.249 31.571 30.300 0.037 0.000 1.063 344 R HN 0.500 nan 8.270 nan 0.000 0.511 345 V N -1.672 118.290 119.914 0.080 0.000 3.181 345 V HA 0.502 4.622 4.120 -0.000 0.000 0.308 345 V C -1.004 175.177 176.094 0.145 0.000 1.214 345 V CA -1.045 61.315 62.300 0.100 0.000 1.053 345 V CB 2.475 34.345 31.823 0.077 0.000 1.069 345 V HN 0.597 nan 8.190 nan 0.000 0.441 346 D N 0.443 120.964 120.400 0.201 0.000 2.529 346 D HA 0.532 5.172 4.640 -0.000 0.000 0.273 346 D C -0.202 176.324 176.300 0.376 0.000 1.197 346 D CA -0.007 54.117 54.000 0.207 0.000 1.070 346 D CB 0.422 41.350 40.800 0.214 0.000 1.134 346 D HN 0.739 nan 8.370 nan 0.000 0.590 347 F N -0.202 119.810 119.950 0.104 0.000 2.866 347 F HA -0.232 4.295 4.527 -0.000 0.000 0.254 347 F C 0.209 176.104 175.800 0.157 0.000 1.009 347 F CA 0.170 58.244 58.000 0.123 0.000 0.907 347 F CB -2.034 37.038 39.000 0.120 0.000 0.859 347 F HN 0.167 nan 8.300 nan 0.000 0.842 348 S N -1.025 114.805 115.700 0.217 0.000 2.537 348 S HA 0.999 5.469 4.470 -0.000 0.000 0.270 348 S C -0.619 174.039 174.600 0.096 0.000 1.142 348 S CA -0.374 57.929 58.200 0.173 0.000 0.870 348 S CB 2.425 65.780 63.200 0.258 0.000 1.112 348 S HN 1.383 nan 8.310 nan 0.000 0.466 349 A N 1.346 124.210 122.820 0.073 0.000 2.609 349 A HA 0.958 5.278 4.320 -0.000 0.000 0.291 349 A C -0.962 176.757 177.584 0.225 0.000 1.096 349 A CA -0.924 51.202 52.037 0.149 0.000 0.684 349 A CB 1.870 21.005 19.000 0.225 0.000 1.282 349 A HN 1.112 nan 8.150 nan 0.000 0.412 350 R N -0.043 120.596 120.500 0.233 0.000 2.604 350 R HA 0.690 5.029 4.340 -0.000 0.000 0.270 350 R C -0.898 175.416 176.300 0.023 0.000 1.052 350 R CA 0.485 56.740 56.100 0.258 0.000 0.902 350 R CB 1.958 32.321 30.300 0.104 0.000 1.233 350 R HN 1.475 nan 8.270 nan 0.000 0.455 351 T N -1.284 113.209 114.554 -0.102 0.000 2.630 351 T HA 0.385 4.735 4.350 -0.000 0.000 0.300 351 T C -0.996 173.609 174.700 -0.159 0.000 1.261 351 T CA -0.544 61.387 62.100 -0.281 0.000 1.060 351 T CB 0.818 69.327 68.868 -0.598 0.000 1.670 351 T HN 0.200 nan 8.240 nan 0.000 0.473 352 V N 2.271 122.084 119.914 -0.168 0.000 2.644 352 V HA 0.578 4.698 4.120 -0.000 0.000 0.295 352 V C 0.500 176.581 176.094 -0.021 0.000 1.053 352 V CA -0.816 61.451 62.300 -0.054 0.000 0.987 352 V CB 0.889 32.682 31.823 -0.051 0.000 1.006 352 V HN 0.871 nan 8.190 nan 0.000 0.472 353 I N 1.323 121.940 120.570 0.079 0.000 2.607 353 I HA 0.910 5.080 4.170 -0.000 0.000 0.305 353 I C -0.234 175.796 176.117 -0.145 0.000 0.995 353 I CA -0.163 61.195 61.300 0.097 0.000 1.148 353 I CB 2.152 40.319 38.000 0.277 0.000 1.323 353 I HN 0.618 nan 8.210 nan 0.000 0.461 354 S N 2.327 117.723 115.700 -0.506 0.000 2.556 354 S HA 0.702 5.172 4.470 -0.000 0.000 0.271 354 S C -0.109 173.710 174.600 -1.302 0.000 1.135 354 S CA -0.763 56.751 58.200 -1.143 0.000 0.858 354 S CB 1.306 64.193 63.200 -0.520 0.000 1.114 354 S HN 1.106 nan 8.310 nan 0.000 0.468 355 G N -0.066 107.740 108.800 -1.657 0.000 2.606 355 G HA2 0.489 4.449 3.960 -0.000 0.000 0.252 355 G HA3 0.489 4.449 3.960 -0.000 0.000 0.252 355 G C -0.837 173.935 174.900 -0.214 0.000 1.206 355 G CA -0.012 44.820 45.100 -0.447 0.000 0.861 355 G HN 0.710 nan 8.290 nan 0.000 0.561 356 D N 0.419 120.784 120.400 -0.060 0.000 2.881 356 D HA 0.101 4.741 4.640 -0.000 0.000 0.238 356 D C -1.826 174.485 176.300 0.019 0.000 1.368 356 D CA -0.849 53.127 54.000 -0.039 0.000 0.871 356 D CB 1.221 41.976 40.800 -0.075 0.000 1.516 356 D HN 0.166 nan 8.370 nan 0.000 0.544 357 P HA -0.089 nan 4.420 nan 0.000 0.235 357 P C 0.347 177.708 177.300 0.101 0.000 1.166 357 P CA 0.473 63.625 63.100 0.087 0.000 0.760 357 P CB 0.295 32.054 31.700 0.098 0.000 0.815 358 N N -0.725 118.019 118.700 0.074 0.000 2.203 358 N HA 0.177 4.916 4.740 -0.000 0.000 0.207 358 N C 0.403 175.932 175.510 0.032 0.000 1.130 358 N CA 0.037 53.133 53.050 0.077 0.000 0.861 358 N CB 0.480 39.010 38.487 0.071 0.000 1.005 358 N HN 0.278 nan 8.380 nan 0.000 0.507 359 L N 1.147 122.381 121.223 0.019 0.000 2.322 359 L HA 0.323 4.663 4.340 -0.000 0.000 0.279 359 L C 0.546 177.424 176.870 0.013 0.000 1.036 359 L CA -0.856 53.981 54.840 -0.006 0.000 0.807 359 L CB 1.240 43.274 42.059 -0.041 0.000 1.226 359 L HN -0.133 nan 8.230 nan 0.000 0.433 360 E N 1.325 121.530 120.200 0.009 0.000 2.422 360 E HA -0.039 4.311 4.350 -0.000 0.000 0.260 360 E C 0.740 177.356 176.600 0.026 0.000 1.108 360 E CA -0.239 56.180 56.400 0.032 0.000 0.943 360 E CB 0.918 30.634 29.700 0.026 0.000 0.961 360 E HN 0.423 nan 8.360 nan 0.000 0.443 361 L N 2.351 123.599 121.223 0.040 0.000 1.990 361 L HA -0.249 4.091 4.340 -0.000 0.000 0.213 361 L C 1.427 178.325 176.870 0.047 0.000 1.072 361 L CA 2.531 57.370 54.840 -0.002 0.000 0.755 361 L CB -0.675 41.338 42.059 -0.076 0.000 0.889 361 L HN 0.583 nan 8.230 nan 0.000 0.432 362 D N -1.439 119.003 120.400 0.070 0.000 2.371 362 D HA -0.083 4.557 4.640 -0.000 0.000 0.234 362 D C 0.747 177.145 176.300 0.163 0.000 1.049 362 D CA 0.250 54.336 54.000 0.144 0.000 0.907 362 D CB -0.279 40.560 40.800 0.064 0.000 0.891 362 D HN 0.564 nan 8.370 nan 0.000 0.531 363 Q N -0.673 119.152 119.800 0.042 0.000 2.239 363 Q HA 0.595 4.934 4.340 -0.000 0.000 0.193 363 Q C -0.943 174.905 176.000 -0.253 0.000 1.004 363 Q CA -1.101 54.672 55.803 -0.051 0.000 1.040 363 Q CB 2.361 31.061 28.738 -0.064 0.000 1.149 363 Q HN 0.022 nan 8.270 nan 0.000 0.535 364 V N -0.163 119.581 119.914 -0.284 0.000 2.812 364 V HA 0.307 4.427 4.120 -0.000 0.000 0.280 364 V C -1.054 174.858 176.094 -0.304 0.000 1.324 364 V CA -0.394 61.611 62.300 -0.492 0.000 0.933 364 V CB 1.409 32.715 31.823 -0.861 0.000 1.091 364 V HN 0.822 nan 8.190 nan 0.000 0.455 365 G N 5.900 114.570 108.800 -0.215 0.000 2.367 365 G HA2 0.444 4.404 3.960 -0.000 0.000 0.282 365 G HA3 0.444 4.404 3.960 -0.000 0.000 0.282 365 G C -0.285 174.624 174.900 0.015 0.000 1.140 365 G CA 0.026 45.071 45.100 -0.091 0.000 1.088 365 G HN 0.933 nan 8.290 nan 0.000 0.431 366 V N 6.448 126.374 119.914 0.021 0.000 2.407 366 V HA 0.295 4.415 4.120 -0.000 0.000 0.278 366 V C -1.602 174.519 176.094 0.045 0.000 1.037 366 V CA -1.706 60.676 62.300 0.137 0.000 0.900 366 V CB 1.835 33.714 31.823 0.093 0.000 0.983 366 V HN 0.621 nan 8.190 nan 0.000 0.459 367 P HA 0.114 nan 4.420 nan 0.000 0.276 367 P C 0.508 177.757 177.300 -0.085 0.000 1.230 367 P CA -0.311 62.758 63.100 -0.051 0.000 0.776 367 P CB 1.151 32.799 31.700 -0.087 0.000 0.888 368 K N 2.791 123.099 120.400 -0.154 0.000 2.107 368 K HA -0.259 4.060 4.320 -0.000 0.000 0.211 368 K C 2.061 178.576 176.600 -0.143 0.000 1.049 368 K CA 2.408 58.554 56.287 -0.235 0.000 0.927 368 K CB -0.570 31.780 32.500 -0.249 0.000 0.714 368 K HN 0.430 nan 8.250 nan 0.000 0.452 369 S N 0.466 116.104 115.700 -0.104 0.000 2.378 369 S HA -0.219 4.251 4.470 -0.000 0.000 0.229 369 S C 1.896 176.476 174.600 -0.032 0.000 1.052 369 S CA 1.960 60.118 58.200 -0.070 0.000 1.084 369 S CB -0.392 62.765 63.200 -0.072 0.000 0.950 369 S HN 0.429 nan 8.310 nan 0.000 0.440 370 I N 1.512 122.075 120.570 -0.011 0.000 2.277 370 I HA 0.010 4.180 4.170 -0.000 0.000 0.243 370 I C 3.000 179.164 176.117 0.079 0.000 1.094 370 I CA 0.841 62.169 61.300 0.047 0.000 1.393 370 I CB -0.832 37.229 38.000 0.101 0.000 1.078 370 I HN 0.435 nan 8.210 nan 0.000 0.417 371 A N 1.075 123.930 122.820 0.059 0.000 1.997 371 A HA -0.248 4.072 4.320 -0.000 0.000 0.221 371 A C 2.245 179.938 177.584 0.181 0.000 1.172 371 A CA 1.796 53.907 52.037 0.123 0.000 0.645 371 A CB -0.510 18.526 19.000 0.060 0.000 0.813 371 A HN 0.375 nan 8.150 nan 0.000 0.454 372 K N -1.567 118.871 120.400 0.064 0.000 2.365 372 K HA 0.017 4.337 4.320 -0.000 0.000 0.197 372 K C 1.622 178.365 176.600 0.239 0.000 1.042 372 K CA 1.151 57.442 56.287 0.006 0.000 0.987 372 K CB 0.021 32.433 32.500 -0.146 0.000 0.779 372 K HN 0.461 nan 8.250 nan 0.000 0.484 373 T N 1.147 115.785 114.554 0.139 0.000 2.953 373 T HA 0.131 4.481 4.350 -0.000 0.000 0.247 373 T C 0.740 175.487 174.700 0.079 0.000 1.029 373 T CA 0.243 62.393 62.100 0.083 0.000 1.144 373 T CB 0.185 69.076 68.868 0.037 0.000 0.870 373 T HN -0.005 nan 8.240 nan 0.000 0.446 374 L N 1.872 123.167 121.223 0.120 0.000 2.397 374 L HA 0.412 4.752 4.340 -0.000 0.000 0.271 374 L C 0.441 177.430 176.870 0.199 0.000 1.148 374 L CA -0.094 54.827 54.840 0.134 0.000 0.825 374 L CB 0.826 42.992 42.059 0.179 0.000 1.117 374 L HN 0.144 nan 8.230 nan 0.000 0.456 375 T N 1.400 116.100 114.554 0.244 0.000 2.906 375 T HA 0.500 4.850 4.350 -0.000 0.000 0.295 375 T C -1.563 173.410 174.700 0.455 0.000 1.075 375 T CA -0.413 61.857 62.100 0.283 0.000 1.005 375 T CB 1.439 70.416 68.868 0.182 0.000 1.136 375 T HN 0.391 nan 8.240 nan 0.000 0.498 376 Y N 4.342 124.752 120.300 0.182 0.000 2.391 376 Y HA 0.620 5.170 4.550 -0.000 0.000 0.341 376 Y C -2.628 173.321 175.900 0.081 0.000 0.965 376 Y CA -2.525 55.649 58.100 0.124 0.000 1.067 376 Y CB 2.349 40.858 38.460 0.082 0.000 1.199 376 Y HN 0.369 nan 8.280 nan 0.000 0.450 377 P HA 0.142 nan 4.420 nan 0.000 0.284 377 P C -1.042 175.889 177.300 -0.615 0.000 1.343 377 P CA 0.077 62.888 63.100 -0.482 0.000 0.826 377 P CB 1.117 32.586 31.700 -0.386 0.000 0.956 378 E N 2.709 122.790 120.200 -0.199 0.000 2.214 378 E HA 0.385 4.735 4.350 -0.000 0.000 0.274 378 E C -0.869 175.715 176.600 -0.026 0.000 0.977 378 E CA -0.983 55.402 56.400 -0.026 0.000 0.827 378 E CB 1.310 31.089 29.700 0.131 0.000 1.130 378 E HN 0.124 nan 8.360 nan 0.000 0.394 379 V N 3.949 123.862 119.914 -0.001 0.000 2.370 379 V HA 0.183 4.303 4.120 -0.000 0.000 0.283 379 V C -0.098 175.995 176.094 -0.003 0.000 1.023 379 V CA -1.037 61.266 62.300 0.005 0.000 0.857 379 V CB 1.326 33.152 31.823 0.004 0.000 0.985 379 V HN 0.545 nan 8.190 nan 0.000 0.443 380 V N 4.786 124.695 119.914 -0.008 0.000 2.583 380 V HA 0.066 4.186 4.120 -0.000 0.000 0.302 380 V C 0.707 176.699 176.094 -0.169 0.000 1.033 380 V CA 1.253 63.494 62.300 -0.098 0.000 1.194 380 V CB 0.252 32.003 31.823 -0.119 0.000 0.879 380 V HN 1.041 nan 8.190 nan 0.000 0.482 381 T N 7.777 122.189 114.554 -0.236 0.000 2.933 381 T HA 0.394 4.744 4.350 -0.000 0.000 0.305 381 T C -1.643 172.836 174.700 -0.367 0.000 1.092 381 T CA -0.895 61.028 62.100 -0.296 0.000 1.008 381 T CB 2.281 70.974 68.868 -0.292 0.000 1.102 381 T HN 0.442 nan 8.240 nan 0.000 0.469 382 P HA -0.220 nan 4.420 nan 0.000 0.218 382 P C 1.032 178.337 177.300 0.008 0.000 1.150 382 P CA 1.709 64.768 63.100 -0.069 0.000 0.841 382 P CB -0.055 31.780 31.700 0.225 0.000 0.784 383 Y N 0.860 121.175 120.300 0.025 0.000 2.274 383 Y HA -0.206 4.344 4.550 -0.000 0.000 0.290 383 Y C 2.418 178.310 175.900 -0.013 0.000 1.145 383 Y CA 0.980 59.086 58.100 0.011 0.000 1.203 383 Y CB -0.877 37.595 38.460 0.020 0.000 0.984 383 Y HN 0.241 nan 8.280 nan 0.000 0.533 384 N N -1.369 117.371 118.700 0.066 0.000 2.516 384 N HA -0.047 4.693 4.740 -0.000 0.000 0.197 384 N C 1.336 176.813 175.510 -0.055 0.000 1.064 384 N CA 0.122 53.182 53.050 0.017 0.000 0.866 384 N CB -0.604 37.900 38.487 0.028 0.000 1.255 384 N HN 0.001 nan 8.380 nan 0.000 0.447 385 I N 2.201 122.680 120.570 -0.151 0.000 3.938 385 I HA -0.500 3.670 4.170 -0.000 0.000 0.148 385 I C 1.182 177.228 176.117 -0.118 0.000 0.715 385 I CA 2.458 63.632 61.300 -0.210 0.000 0.935 385 I CB -1.112 36.692 38.000 -0.327 0.000 0.757 385 I HN 0.338 nan 8.210 nan 0.000 0.267 386 D N -0.259 120.092 120.400 -0.082 0.000 2.242 386 D HA -0.276 4.364 4.640 -0.000 0.000 0.193 386 D C 2.026 178.306 176.300 -0.033 0.000 1.005 386 D CA 2.180 56.152 54.000 -0.047 0.000 0.856 386 D CB -0.602 40.184 40.800 -0.023 0.000 1.001 386 D HN 0.416 nan 8.370 nan 0.000 0.452 387 R N 0.663 121.153 120.500 -0.018 0.000 2.133 387 R HA -0.205 4.135 4.340 -0.000 0.000 0.245 387 R C 2.747 179.040 176.300 -0.011 0.000 1.137 387 R CA 1.444 57.539 56.100 -0.008 0.000 0.947 387 R CB -0.671 29.631 30.300 0.004 0.000 0.865 387 R HN 0.172 nan 8.270 nan 0.000 0.437 388 L N -0.187 121.025 121.223 -0.018 0.000 1.989 388 L HA -0.225 4.115 4.340 -0.000 0.000 0.211 388 L C 2.477 179.336 176.870 -0.019 0.000 1.071 388 L CA 2.194 57.025 54.840 -0.016 0.000 0.749 388 L CB -0.515 41.527 42.059 -0.029 0.000 0.890 388 L HN 0.406 nan 8.230 nan 0.000 0.431 389 T N -1.685 112.847 114.554 -0.037 0.000 2.803 389 T HA -0.294 4.056 4.350 -0.000 0.000 0.269 389 T C 1.718 176.410 174.700 -0.013 0.000 1.052 389 T CA 1.452 63.534 62.100 -0.030 0.000 1.136 389 T CB -0.219 68.621 68.868 -0.048 0.000 0.864 389 T HN 0.223 nan 8.240 nan 0.000 0.467 390 Q N 0.986 120.778 119.800 -0.013 0.000 2.046 390 Q HA 0.052 4.392 4.340 -0.000 0.000 0.200 390 Q C 2.117 178.118 176.000 0.001 0.000 0.975 390 Q CA 1.374 57.174 55.803 -0.005 0.000 0.836 390 Q CB -0.728 28.006 28.738 -0.007 0.000 0.896 390 Q HN 0.534 nan 8.270 nan 0.000 0.428 391 L N -0.712 120.512 121.223 0.002 0.000 2.012 391 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 391 L C 2.297 179.175 176.870 0.012 0.000 1.073 391 L CA 1.265 56.110 54.840 0.009 0.000 0.748 391 L CB -0.662 41.402 42.059 0.008 0.000 0.891 391 L HN 0.123 nan 8.230 nan 0.000 0.431 392 V N -0.603 119.317 119.914 0.009 0.000 2.295 392 V HA -0.293 3.827 4.120 -0.000 0.000 0.246 392 V C 2.575 178.681 176.094 0.019 0.000 1.049 392 V CA 1.741 64.051 62.300 0.015 0.000 1.024 392 V CB -0.784 31.055 31.823 0.027 0.000 0.648 392 V HN 0.385 nan 8.190 nan 0.000 0.447 393 R N 0.282 120.791 120.500 0.015 0.000 2.096 393 R HA -0.183 4.156 4.340 -0.000 0.000 0.240 393 R C 2.342 178.653 176.300 0.019 0.000 1.139 393 R CA 1.754 57.864 56.100 0.016 0.000 0.952 393 R CB -0.575 29.730 30.300 0.009 0.000 0.854 393 R HN 0.520 nan 8.270 nan 0.000 0.436 394 N N 0.075 118.787 118.700 0.019 0.000 2.322 394 N HA -0.124 4.616 4.740 -0.000 0.000 0.189 394 N C 0.955 176.487 175.510 0.037 0.000 1.012 394 N CA 1.485 54.549 53.050 0.024 0.000 0.880 394 N CB -0.125 38.375 38.487 0.022 0.000 0.967 394 N HN 0.430 nan 8.380 nan 0.000 0.439 395 G N -0.211 108.613 108.800 0.039 0.000 2.728 395 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.294 395 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.294 395 G C -2.542 172.410 174.900 0.087 0.000 1.342 395 G CA -0.137 44.991 45.100 0.046 0.000 0.866 395 G HN 0.136 nan 8.290 nan 0.000 0.534 396 P HA 0.267 nan 4.420 nan 0.000 0.274 396 P C 0.287 177.672 177.300 0.141 0.000 1.673 396 P CA -0.043 63.148 63.100 0.151 0.000 1.193 396 P CB 0.359 32.053 31.700 -0.010 0.000 1.571 397 N N -0.442 118.309 118.700 0.085 0.000 2.529 397 N HA 0.073 4.813 4.740 -0.000 0.000 0.231 397 N C 0.649 176.158 175.510 -0.001 0.000 1.072 397 N CA 0.235 53.303 53.050 0.030 0.000 0.854 397 N CB 0.138 38.640 38.487 0.025 0.000 1.465 397 N HN 0.140 nan 8.380 nan 0.000 0.452 398 E N 0.043 120.250 120.200 0.011 0.000 2.392 398 E HA -0.031 4.319 4.350 -0.000 0.000 0.256 398 E C 0.368 176.946 176.600 -0.037 0.000 1.145 398 E CA -0.028 56.371 56.400 -0.001 0.000 0.929 398 E CB 0.890 30.596 29.700 0.010 0.000 0.998 398 E HN 0.278 nan 8.360 nan 0.000 0.442 399 H N 2.112 121.111 119.070 -0.119 0.000 2.576 399 H HA 0.035 4.591 4.556 -0.000 0.000 0.311 399 H C -1.729 173.511 175.328 -0.148 0.000 1.037 399 H CA 0.563 56.493 56.048 -0.196 0.000 1.272 399 H CB -1.138 28.546 29.762 -0.130 0.000 1.497 399 H HN 0.277 nan 8.280 nan 0.000 0.642 400 P HA 0.119 nan 4.420 nan 0.000 0.250 400 P C -0.437 176.787 177.300 -0.127 0.000 1.198 400 P CA 1.269 64.085 63.100 -0.474 0.000 1.118 400 P CB -0.016 31.552 31.700 -0.219 0.000 1.208 401 G N 1.329 110.185 108.800 0.093 0.000 2.694 401 G HA2 0.792 4.752 3.960 -0.000 0.000 0.246 401 G HA3 0.792 4.752 3.960 -0.000 0.000 0.246 401 G C -1.705 173.297 174.900 0.170 0.000 1.205 401 G CA 0.045 45.265 45.100 0.200 0.000 0.891 401 G HN 0.517 nan 8.290 nan 0.000 0.515 402 A N -1.258 121.509 122.820 -0.089 0.000 2.536 402 A HA 0.780 5.100 4.320 -0.000 0.000 0.293 402 A C -0.701 176.667 177.584 -0.361 0.000 1.119 402 A CA 0.321 52.112 52.037 -0.411 0.000 0.654 402 A CB 1.068 19.979 19.000 -0.149 0.000 1.291 402 A HN 1.437 nan 8.150 nan 0.000 0.439 403 K N -0.862 119.337 120.400 -0.334 0.000 2.609 403 K HA 0.539 4.859 4.320 -0.000 0.000 0.195 403 K C -1.182 175.222 176.600 -0.326 0.000 1.144 403 K CA -0.088 55.998 56.287 -0.335 0.000 1.084 403 K CB 0.525 32.751 32.500 -0.457 0.000 0.877 403 K HN 0.576 nan 8.250 nan 0.000 0.540 404 Y N 0.166 120.412 120.300 -0.089 0.000 2.337 404 Y HA 0.247 4.797 4.550 -0.000 0.000 0.318 404 Y C -1.438 174.435 175.900 -0.044 0.000 1.258 404 Y CA -1.364 56.693 58.100 -0.071 0.000 1.132 404 Y CB 2.207 40.624 38.460 -0.071 0.000 1.307 404 Y HN -0.221 nan 8.280 nan 0.000 0.428 405 V N 5.670 125.667 119.914 0.137 0.000 2.604 405 V HA 0.575 4.695 4.120 -0.000 0.000 0.305 405 V C -0.417 175.642 176.094 -0.058 0.000 1.043 405 V CA -0.685 61.660 62.300 0.075 0.000 0.888 405 V CB 2.031 33.942 31.823 0.147 0.000 0.995 405 V HN 0.508 nan 8.190 nan 0.000 0.429 406 I N 2.450 122.948 120.570 -0.120 0.000 2.447 406 I HA 0.717 4.887 4.170 -0.000 0.000 0.287 406 I C -0.248 175.582 176.117 -0.479 0.000 1.023 406 I CA -0.897 60.237 61.300 -0.277 0.000 1.083 406 I CB 1.808 39.678 38.000 -0.217 0.000 1.245 406 I HN 0.481 nan 8.210 nan 0.000 0.434 407 R N 2.431 122.416 120.500 -0.859 0.000 2.549 407 R HA 0.331 4.671 4.340 -0.000 0.000 0.259 407 R C 0.653 176.534 176.300 -0.698 0.000 1.095 407 R CA -0.497 54.698 56.100 -1.507 0.000 1.148 407 R CB 0.377 29.499 30.300 -1.964 0.000 1.181 407 R HN 0.725 nan 8.270 nan 0.000 0.571 408 D N 0.089 120.196 120.400 -0.488 0.000 2.116 408 D HA -0.258 4.382 4.640 -0.000 0.000 0.193 408 D C 1.124 177.317 176.300 -0.178 0.000 0.998 408 D CA 1.809 55.709 54.000 -0.165 0.000 0.836 408 D CB -0.585 40.217 40.800 0.003 0.000 0.951 408 D HN 0.481 nan 8.370 nan 0.000 0.449 409 S N -0.249 115.329 115.700 -0.204 0.000 2.672 409 S HA 0.032 4.502 4.470 -0.000 0.000 0.250 409 S C 1.699 176.202 174.600 -0.162 0.000 0.975 409 S CA 0.327 58.435 58.200 -0.154 0.000 0.971 409 S CB -1.591 61.520 63.200 -0.147 0.000 0.765 409 S HN 0.693 nan 8.310 nan 0.000 0.543 410 G N 0.734 109.422 108.800 -0.186 0.000 2.395 410 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.292 410 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.292 410 G C -0.426 174.376 174.900 -0.164 0.000 0.953 410 G CA 0.480 45.482 45.100 -0.162 0.000 1.207 410 G HN 0.726 nan 8.290 nan 0.000 0.503 411 D N -0.781 119.491 120.400 -0.213 0.000 2.780 411 D HA 0.496 5.136 4.640 -0.000 0.000 0.242 411 D C 0.481 176.646 176.300 -0.226 0.000 1.135 411 D CA -0.833 53.053 54.000 -0.190 0.000 0.859 411 D CB 0.907 41.604 40.800 -0.171 0.000 1.530 411 D HN 0.405 nan 8.370 nan 0.000 0.493 412 R N 3.310 123.682 120.500 -0.214 0.000 2.254 412 R HA 0.514 4.854 4.340 -0.000 0.000 0.318 412 R C -0.113 176.080 176.300 -0.178 0.000 1.031 412 R CA -0.556 55.382 56.100 -0.270 0.000 0.905 412 R CB 1.066 31.124 30.300 -0.403 0.000 1.050 412 R HN 0.399 nan 8.270 nan 0.000 0.456 413 I N 2.472 122.970 120.570 -0.120 0.000 2.307 413 I HA 0.049 4.219 4.170 -0.000 0.000 0.289 413 I C 0.065 176.255 176.117 0.121 0.000 1.021 413 I CA -0.537 60.758 61.300 -0.009 0.000 1.224 413 I CB 1.175 39.182 38.000 0.012 0.000 1.376 413 I HN 0.507 nan 8.210 nan 0.000 0.470 414 D N 7.496 127.974 120.400 0.130 0.000 2.402 414 D HA 0.096 4.736 4.640 -0.000 0.000 0.235 414 D C 1.177 177.485 176.300 0.014 0.000 1.226 414 D CA -0.018 54.107 54.000 0.208 0.000 0.918 414 D CB 0.982 41.787 40.800 0.008 0.000 1.043 414 D HN 0.532 nan 8.370 nan 0.000 0.506 415 L N 3.549 124.778 121.223 0.011 0.000 2.270 415 L HA -0.223 4.117 4.340 -0.000 0.000 0.217 415 L C 2.251 179.101 176.870 -0.033 0.000 1.107 415 L CA 1.143 55.969 54.840 -0.023 0.000 0.772 415 L CB -0.143 41.889 42.059 -0.044 0.000 0.902 415 L HN 0.418 nan 8.230 nan 0.000 0.439 416 R N -2.019 118.410 120.500 -0.119 0.000 2.276 416 R HA 0.006 4.346 4.340 -0.000 0.000 0.196 416 R C 0.988 177.521 176.300 0.388 0.000 0.961 416 R CA 0.471 56.592 56.100 0.036 0.000 1.024 416 R CB -0.096 30.188 30.300 -0.027 0.000 0.940 416 R HN 0.361 nan 8.270 nan 0.000 0.480 417 Y N 1.054 121.364 120.300 0.016 0.000 2.844 417 Y HA 0.145 4.695 4.550 -0.000 0.000 0.130 417 Y C 0.736 176.652 175.900 0.026 0.000 0.874 417 Y CA -0.700 57.413 58.100 0.021 0.000 1.804 417 Y CB -0.339 38.137 38.460 0.026 0.000 1.191 417 Y HN 0.031 nan 8.280 nan 0.000 0.336 418 S N 2.357 118.201 115.700 0.240 0.000 4.516 418 S HA -0.241 4.228 4.470 -0.000 0.000 0.317 418 S C 0.642 175.301 174.600 0.098 0.000 0.757 418 S CA 0.657 58.935 58.200 0.131 0.000 1.250 418 S CB -0.427 62.832 63.200 0.098 0.000 2.234 418 S HN 0.668 nan 8.310 nan 0.000 0.345 419 K N 4.101 124.547 120.400 0.076 0.000 2.520 419 K HA -0.132 4.188 4.320 -0.000 0.000 0.198 419 K C 1.505 178.137 176.600 0.053 0.000 1.045 419 K CA 1.683 58.004 56.287 0.056 0.000 0.934 419 K CB -0.161 32.364 32.500 0.042 0.000 0.766 419 K HN 0.713 nan 8.250 nan 0.000 0.483 420 R N 0.004 120.540 120.500 0.061 0.000 2.362 420 R HA 0.209 4.549 4.340 -0.000 0.000 0.227 420 R C 1.848 178.185 176.300 0.061 0.000 0.905 420 R CA 0.387 56.522 56.100 0.059 0.000 1.067 420 R CB 0.142 30.482 30.300 0.066 0.000 1.078 420 R HN 0.281 nan 8.270 nan 0.000 0.516 421 A N 1.453 124.312 122.820 0.064 0.000 1.970 421 A HA -0.279 4.041 4.320 -0.000 0.000 0.227 421 A C 2.232 179.845 177.584 0.049 0.000 1.568 421 A CA 2.355 54.428 52.037 0.060 0.000 0.813 421 A CB -1.642 17.395 19.000 0.062 0.000 0.833 421 A HN 0.443 nan 8.150 nan 0.000 0.492 422 G N -0.966 107.859 108.800 0.041 0.000 2.485 422 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.221 422 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.221 422 G C 1.114 176.031 174.900 0.030 0.000 1.115 422 G CA 1.443 46.562 45.100 0.032 0.000 0.751 422 G HN 0.683 nan 8.290 nan 0.000 0.567 423 D N 0.337 120.758 120.400 0.036 0.000 1.658 423 D HA 0.006 4.646 4.640 -0.000 0.000 0.319 423 D C 1.163 177.485 176.300 0.037 0.000 1.076 423 D CA 0.138 54.159 54.000 0.034 0.000 0.860 423 D CB -0.196 40.629 40.800 0.042 0.000 1.368 423 D HN 0.220 nan 8.370 nan 0.000 0.468 424 I N 0.256 120.858 120.570 0.054 0.000 8.460 424 I HA -0.273 3.897 4.170 -0.000 0.000 0.126 424 I C -0.444 175.680 176.117 0.013 0.000 1.782 424 I CA 0.074 61.415 61.300 0.067 0.000 2.151 424 I CB -0.566 37.493 38.000 0.099 0.000 3.701 424 I HN 0.309 nan 8.210 nan 0.000 0.203 425 Q N 6.754 126.536 119.800 -0.030 0.000 2.274 425 Q HA 0.739 5.079 4.340 -0.000 0.000 0.260 425 Q C -0.334 175.522 176.000 -0.240 0.000 0.974 425 Q CA -0.919 54.818 55.803 -0.109 0.000 0.876 425 Q CB 2.423 31.094 28.738 -0.113 0.000 1.297 425 Q HN 0.552 nan 8.270 nan 0.000 0.446 426 L N 1.285 122.337 121.223 -0.285 0.000 2.416 426 L HA 0.353 4.693 4.340 -0.000 0.000 0.262 426 L C 0.331 176.778 176.870 -0.706 0.000 1.093 426 L CA -0.677 53.883 54.840 -0.467 0.000 0.801 426 L CB 0.839 42.733 42.059 -0.275 0.000 1.191 426 L HN 0.386 nan 8.230 nan 0.000 0.459 427 Q N 1.125 120.253 119.800 -1.120 0.000 2.321 427 Q HA 0.323 4.663 4.340 -0.000 0.000 0.270 427 Q C -1.402 174.304 176.000 -0.490 0.000 1.032 427 Q CA -0.833 54.409 55.803 -0.934 0.000 0.784 427 Q CB 2.137 29.952 28.738 -1.538 0.000 1.264 427 Q HN 0.315 nan 8.270 nan 0.000 0.448 428 Y N 0.618 120.739 120.300 -0.300 0.000 2.805 428 Y HA 0.104 4.654 4.550 -0.000 0.000 0.331 428 Y C 1.630 177.488 175.900 -0.070 0.000 1.241 428 Y CA 2.192 60.195 58.100 -0.161 0.000 1.546 428 Y CB 0.120 38.497 38.460 -0.138 0.000 1.248 428 Y HN 0.996 nan 8.280 nan 0.000 0.559 429 G N 0.499 109.378 108.800 0.132 0.000 2.339 429 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.209 429 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.209 429 G C -0.076 174.996 174.900 0.287 0.000 1.015 429 G CA -0.532 44.680 45.100 0.186 0.000 0.635 429 G HN 0.476 nan 8.290 nan 0.000 0.499 430 W N 1.557 122.842 121.300 -0.025 0.000 2.079 430 W HA 0.713 5.373 4.660 -0.000 0.000 0.354 430 W C 0.808 177.296 176.519 -0.053 0.000 1.302 430 W CA -0.290 57.032 57.345 -0.039 0.000 1.281 430 W CB 0.306 29.743 29.460 -0.038 0.000 1.165 430 W HN 0.116 nan 8.180 nan 0.000 0.603 431 K N 0.231 120.727 120.400 0.160 0.000 2.259 431 K HA 0.587 4.907 4.320 -0.000 0.000 0.249 431 K C -1.252 175.387 176.600 0.065 0.000 0.942 431 K CA -0.757 55.562 56.287 0.053 0.000 0.816 431 K CB 1.865 34.348 32.500 -0.029 0.000 1.155 431 K HN 0.120 nan 8.250 nan 0.000 0.428 432 V N 3.078 123.017 119.914 0.042 0.000 2.383 432 V HA 0.121 4.241 4.120 -0.000 0.000 0.264 432 V C -0.542 175.575 176.094 0.038 0.000 1.001 432 V CA -0.851 61.481 62.300 0.054 0.000 0.828 432 V CB 0.782 32.638 31.823 0.055 0.000 1.069 432 V HN 0.759 nan 8.190 nan 0.000 0.451 433 E N 4.458 124.690 120.200 0.053 0.000 2.924 433 E HA -0.043 4.307 4.350 -0.000 0.000 0.236 433 E C 0.412 177.025 176.600 0.022 0.000 1.028 433 E CA 0.360 56.805 56.400 0.074 0.000 0.952 433 E CB 0.467 30.277 29.700 0.184 0.000 0.918 433 E HN 0.769 nan 8.360 nan 0.000 0.536 434 R N 2.541 123.060 120.500 0.032 0.000 2.893 434 R HA 0.438 4.778 4.340 -0.000 0.000 0.245 434 R C 0.094 176.371 176.300 -0.037 0.000 1.192 434 R CA -0.866 55.202 56.100 -0.053 0.000 1.077 434 R CB 0.772 31.093 30.300 0.035 0.000 1.253 434 R HN 0.341 nan 8.270 nan 0.000 0.505 435 H N 0.197 119.305 119.070 0.063 0.000 2.607 435 H HA 0.173 4.729 4.556 -0.000 0.000 0.367 435 H C 0.409 175.800 175.328 0.105 0.000 1.181 435 H CA -0.368 55.725 56.048 0.076 0.000 1.402 435 H CB 0.671 30.442 29.762 0.014 0.000 1.474 435 H HN 0.282 nan 8.280 nan 0.000 0.596 436 I N 2.591 123.331 120.570 0.282 0.000 2.752 436 I HA -0.057 4.113 4.170 -0.000 0.000 0.287 436 I C 0.942 177.170 176.117 0.186 0.000 1.188 436 I CA 0.744 62.160 61.300 0.192 0.000 1.427 436 I CB -0.390 37.716 38.000 0.176 0.000 1.365 436 I HN 0.389 nan 8.210 nan 0.000 0.585 437 M N 3.045 122.707 119.600 0.103 0.000 2.755 437 M HA 0.329 4.809 4.480 -0.000 0.000 0.298 437 M C -0.626 175.715 176.300 0.068 0.000 1.251 437 M CA -1.091 54.273 55.300 0.106 0.000 0.817 437 M CB 1.425 34.053 32.600 0.047 0.000 1.760 437 M HN 0.292 nan 8.290 nan 0.000 0.473 438 D N 2.197 122.642 120.400 0.075 0.000 2.451 438 D HA 0.087 4.727 4.640 -0.000 0.000 0.254 438 D C -0.252 176.051 176.300 0.005 0.000 1.204 438 D CA 1.350 55.370 54.000 0.034 0.000 0.896 438 D CB -0.104 40.715 40.800 0.032 0.000 1.136 438 D HN 0.585 nan 8.370 nan 0.000 0.499 439 N N 1.422 120.116 118.700 -0.010 0.000 2.989 439 N HA -0.145 4.595 4.740 -0.000 0.000 0.247 439 N C -1.473 174.008 175.510 -0.047 0.000 1.119 439 N CA 0.300 53.335 53.050 -0.024 0.000 0.755 439 N CB -0.693 37.782 38.487 -0.020 0.000 1.100 439 N HN 0.361 nan 8.380 nan 0.000 0.550 440 D N 0.908 121.276 120.400 -0.054 0.000 2.274 440 D HA 0.253 4.893 4.640 -0.000 0.000 0.239 440 D C -2.221 174.035 176.300 -0.073 0.000 1.104 440 D CA -1.271 52.666 54.000 -0.105 0.000 0.840 440 D CB 1.044 41.774 40.800 -0.116 0.000 1.100 440 D HN 0.088 nan 8.370 nan 0.000 0.477 441 P HA 0.014 nan 4.420 nan 0.000 0.271 441 P C -0.340 176.947 177.300 -0.022 0.000 1.233 441 P CA -0.264 62.811 63.100 -0.043 0.000 0.764 441 P CB 0.813 32.486 31.700 -0.045 0.000 0.825 442 V N 2.101 122.018 119.914 0.004 0.000 3.046 442 V HA 0.492 4.612 4.120 -0.000 0.000 0.316 442 V C -0.272 175.863 176.094 0.068 0.000 1.104 442 V CA -1.280 61.044 62.300 0.040 0.000 1.006 442 V CB 2.592 34.435 31.823 0.033 0.000 1.058 442 V HN 0.373 nan 8.190 nan 0.000 0.440 443 L N 2.816 124.108 121.223 0.115 0.000 2.262 443 L HA 0.537 4.877 4.340 -0.000 0.000 0.288 443 L C -1.236 175.761 176.870 0.213 0.000 1.035 443 L CA -0.174 54.752 54.840 0.142 0.000 0.820 443 L CB 0.988 43.139 42.059 0.153 0.000 1.204 443 L HN 0.827 nan 8.230 nan 0.000 0.424 444 F N 6.693 126.657 119.950 0.024 0.000 2.432 444 F HA 0.549 5.075 4.527 -0.000 0.000 0.329 444 F C 0.081 175.905 175.800 0.040 0.000 1.076 444 F CA -0.491 57.495 58.000 -0.023 0.000 1.018 444 F CB 1.330 40.414 39.000 0.140 0.000 1.201 444 F HN 0.637 nan 8.300 nan 0.000 0.489 445 N N 3.151 121.491 118.700 -0.599 0.000 3.322 445 N HA 0.256 4.996 4.740 -0.000 0.000 0.233 445 N C -2.226 172.990 175.510 -0.490 0.000 1.399 445 N CA -0.718 52.142 53.050 -0.317 0.000 0.894 445 N CB 1.958 40.443 38.487 -0.003 0.000 1.440 445 N HN 0.834 nan 8.380 nan 0.000 0.503 446 R N 1.811 122.204 120.500 -0.178 0.000 2.515 446 R HA 0.300 4.640 4.340 -0.000 0.000 0.291 446 R C -1.063 175.228 176.300 -0.015 0.000 1.046 446 R CA -0.375 55.645 56.100 -0.133 0.000 0.914 446 R CB 1.354 31.592 30.300 -0.103 0.000 1.191 446 R HN 0.593 nan 8.270 nan 0.000 0.435 447 Q N 4.396 124.182 119.800 -0.024 0.000 2.340 447 Q HA 0.302 4.642 4.340 -0.000 0.000 0.249 447 Q C -1.915 174.087 176.000 0.003 0.000 0.957 447 Q CA -1.751 54.052 55.803 0.001 0.000 0.882 447 Q CB 0.848 29.587 28.738 0.001 0.000 1.235 447 Q HN 0.480 nan 8.270 nan 0.000 0.439 448 P HA 0.045 nan 4.420 nan 0.000 0.275 448 P C -1.111 176.194 177.300 0.008 0.000 1.227 448 P CA -0.270 62.831 63.100 0.002 0.000 0.781 448 P CB 0.952 32.647 31.700 -0.008 0.000 0.906 449 S N 2.979 118.683 115.700 0.007 0.000 2.422 449 S HA 0.387 4.857 4.470 -0.000 0.000 0.308 449 S C 0.313 174.904 174.600 -0.016 0.000 1.097 449 S CA -0.519 57.691 58.200 0.016 0.000 1.099 449 S CB 0.230 63.444 63.200 0.023 0.000 0.976 449 S HN 0.370 nan 8.310 nan 0.000 0.471 450 L N 0.807 122.012 121.223 -0.031 0.000 3.425 450 L HA 0.547 4.887 4.340 -0.000 0.000 0.330 450 L C -0.378 176.407 176.870 -0.141 0.000 1.317 450 L CA -0.180 54.601 54.840 -0.100 0.000 0.940 450 L CB -1.296 40.676 42.059 -0.145 0.000 1.378 450 L HN 0.676 nan 8.230 nan 0.000 0.611 451 H N -1.064 117.962 119.070 -0.073 0.000 3.008 451 H HA 0.435 4.991 4.556 -0.000 0.000 0.354 451 H C 0.240 175.512 175.328 -0.093 0.000 1.252 451 H CA -0.775 55.217 56.048 -0.093 0.000 1.117 451 H CB 2.601 32.303 29.762 -0.099 0.000 1.857 451 H HN -0.067 nan 8.280 nan 0.000 0.547 452 K N 1.060 121.493 120.400 0.056 0.000 2.025 452 K HA -0.096 4.223 4.320 -0.000 0.000 0.207 452 K C 1.290 177.851 176.600 -0.066 0.000 1.049 452 K CA 1.631 57.897 56.287 -0.036 0.000 0.933 452 K CB 0.009 32.464 32.500 -0.076 0.000 0.714 452 K HN 0.474 nan 8.250 nan 0.000 0.438 453 M N 0.516 120.025 119.600 -0.152 0.000 2.706 453 M HA -0.072 4.408 4.480 -0.000 0.000 0.251 453 M C 1.607 177.774 176.300 -0.222 0.000 1.070 453 M CA 0.894 56.025 55.300 -0.282 0.000 1.073 453 M CB 0.083 32.370 32.600 -0.522 0.000 1.449 453 M HN -0.121 nan 8.290 nan 0.000 0.531 454 S N -0.240 115.455 115.700 -0.009 0.000 2.562 454 S HA 0.262 4.732 4.470 -0.000 0.000 0.221 454 S C 0.542 175.241 174.600 0.165 0.000 0.975 454 S CA 0.516 58.770 58.200 0.089 0.000 0.918 454 S CB 0.054 63.320 63.200 0.109 0.000 0.772 454 S HN 0.404 nan 8.310 nan 0.000 0.531 455 M N 1.291 120.940 119.600 0.080 0.000 2.165 455 M HA 0.463 4.942 4.480 -0.000 0.000 0.283 455 M C -1.141 175.191 176.300 0.053 0.000 0.978 455 M CA 0.130 55.512 55.300 0.137 0.000 0.948 455 M CB 2.050 34.699 32.600 0.082 0.000 1.599 455 M HN 0.053 nan 8.290 nan 0.000 0.450 456 M N 1.464 121.128 119.600 0.107 0.000 2.691 456 M HA 0.831 5.311 4.480 -0.000 0.000 0.293 456 M C -0.664 175.564 176.300 -0.119 0.000 1.259 456 M CA -0.900 54.355 55.300 -0.075 0.000 0.827 456 M CB 2.600 35.070 32.600 -0.217 0.000 1.753 456 M HN 0.706 nan 8.290 nan 0.000 0.465 457 A N 0.737 123.435 122.820 -0.204 0.000 2.292 457 A HA 0.707 5.027 4.320 -0.000 0.000 0.319 457 A C -1.151 176.249 177.584 -0.307 0.000 1.206 457 A CA -0.503 51.432 52.037 -0.171 0.000 0.835 457 A CB 0.322 19.271 19.000 -0.084 0.000 1.164 457 A HN 0.801 nan 8.150 nan 0.000 0.505 458 H N 1.079 120.154 119.070 0.008 0.000 2.771 458 H HA 0.430 4.986 4.556 -0.000 0.000 0.367 458 H C -0.410 174.876 175.328 -0.070 0.000 1.172 458 H CA -0.593 55.425 56.048 -0.049 0.000 1.186 458 H CB 1.418 31.097 29.762 -0.138 0.000 1.790 458 H HN 0.703 nan 8.280 nan 0.000 0.556 459 R N 0.537 121.082 120.500 0.076 0.000 2.357 459 R HA 0.329 4.669 4.340 -0.000 0.000 0.296 459 R C -0.255 176.031 176.300 -0.023 0.000 1.052 459 R CA -0.609 55.497 56.100 0.009 0.000 0.988 459 R CB 1.189 31.490 30.300 0.001 0.000 1.025 459 R HN 0.165 nan 8.270 nan 0.000 0.469 460 V N 3.297 123.192 119.914 -0.033 0.000 2.732 460 V HA 0.157 4.277 4.120 -0.000 0.000 0.297 460 V C 0.050 176.122 176.094 -0.038 0.000 1.060 460 V CA 0.110 62.381 62.300 -0.049 0.000 1.038 460 V CB 1.342 33.150 31.823 -0.024 0.000 1.003 460 V HN 0.522 nan 8.190 nan 0.000 0.481 461 K N 4.381 124.750 120.400 -0.051 0.000 2.705 461 K HA 0.319 4.639 4.320 -0.000 0.000 0.238 461 K C -1.159 175.416 176.600 -0.042 0.000 0.996 461 K CA -0.440 55.824 56.287 -0.039 0.000 1.007 461 K CB 1.522 33.991 32.500 -0.052 0.000 1.206 461 K HN 0.448 nan 8.250 nan 0.000 0.488 462 V N 5.840 125.733 119.914 -0.035 0.000 2.540 462 V HA 0.179 4.299 4.120 -0.000 0.000 0.297 462 V C 0.961 176.995 176.094 -0.100 0.000 1.024 462 V CA -0.017 62.224 62.300 -0.099 0.000 1.105 462 V CB -0.492 31.207 31.823 -0.207 0.000 0.938 462 V HN 0.597 nan 8.190 nan 0.000 0.482 463 I N 2.964 123.477 120.570 -0.095 0.000 3.174 463 I HA 0.789 4.959 4.170 -0.000 0.000 0.313 463 I C -2.700 173.381 176.117 -0.061 0.000 1.155 463 I CA -2.578 58.688 61.300 -0.056 0.000 0.977 463 I CB 2.545 40.535 38.000 -0.018 0.000 1.248 463 I HN 0.374 nan 8.210 nan 0.000 0.453 464 P HA 0.317 nan 4.420 nan 0.000 0.302 464 P C -1.034 176.297 177.300 0.051 0.000 1.307 464 P CA 0.140 63.199 63.100 -0.068 0.000 0.754 464 P CB 0.412 32.049 31.700 -0.105 0.000 1.298 465 Y N -2.783 117.469 120.300 -0.080 0.000 2.501 465 Y HA -0.235 4.315 4.550 -0.000 0.000 0.184 465 Y C 1.449 177.287 175.900 -0.103 0.000 1.695 465 Y CA 1.045 59.095 58.100 -0.083 0.000 1.423 465 Y CB -2.078 36.336 38.460 -0.077 0.000 2.068 465 Y HN 0.255 nan 8.280 nan 0.000 0.253 466 S N -0.501 115.236 115.700 0.061 0.000 2.583 466 S HA 0.270 4.740 4.470 -0.000 0.000 0.239 466 S C -0.105 174.407 174.600 -0.147 0.000 0.966 466 S CA 0.242 58.404 58.200 -0.063 0.000 0.973 466 S CB -0.213 62.943 63.200 -0.073 0.000 0.794 466 S HN 0.703 nan 8.310 nan 0.000 0.463 467 T N -0.888 113.591 114.554 -0.125 0.000 2.893 467 T HA 0.636 4.986 4.350 -0.000 0.000 0.293 467 T C -0.328 174.293 174.700 -0.131 0.000 1.027 467 T CA -0.807 61.172 62.100 -0.203 0.000 0.988 467 T CB 0.591 69.372 68.868 -0.146 0.000 1.043 467 T HN 0.126 nan 8.240 nan 0.000 0.461 468 F N 1.984 121.917 119.950 -0.028 0.000 2.590 468 F HA 0.225 4.752 4.527 -0.000 0.000 0.389 468 F C 1.550 177.277 175.800 -0.121 0.000 1.049 468 F CA -0.518 57.447 58.000 -0.060 0.000 1.199 468 F CB 0.472 39.544 39.000 0.119 0.000 1.058 468 F HN 0.264 nan 8.300 nan 0.000 0.556 469 R N 5.594 126.094 120.500 0.000 0.000 2.288 469 R HA 0.493 4.833 4.340 -0.000 0.000 0.326 469 R C -0.870 175.333 176.300 -0.162 0.000 0.959 469 R CA -0.846 55.189 56.100 -0.108 0.000 0.834 469 R CB 1.268 31.500 30.300 -0.113 0.000 1.157 469 R HN 0.597 nan 8.270 nan 0.000 0.470 470 L N -0.330 120.818 121.223 -0.126 0.000 2.322 470 L HA 0.584 4.924 4.340 -0.000 0.000 0.269 470 L C 0.137 176.994 176.870 -0.022 0.000 1.012 470 L CA -1.150 53.607 54.840 -0.139 0.000 0.815 470 L CB 1.147 43.189 42.059 -0.027 0.000 1.295 470 L HN 0.361 nan 8.230 nan 0.000 0.438 471 N N 1.123 119.806 118.700 -0.029 0.000 2.444 471 N HA 0.122 4.862 4.740 -0.000 0.000 0.255 471 N C 0.619 176.196 175.510 0.113 0.000 1.255 471 N CA -0.000 53.071 53.050 0.034 0.000 0.933 471 N CB 1.209 39.702 38.487 0.011 0.000 1.143 471 N HN 0.903 nan 8.380 nan 0.000 0.453 472 L N 1.584 122.885 121.223 0.130 0.000 2.005 472 L HA -0.154 4.186 4.340 -0.000 0.000 0.207 472 L C 2.419 179.343 176.870 0.090 0.000 1.072 472 L CA 1.063 55.997 54.840 0.157 0.000 0.744 472 L CB -0.491 41.658 42.059 0.150 0.000 0.895 472 L HN 0.566 nan 8.230 nan 0.000 0.433 473 S N -0.935 114.789 115.700 0.039 0.000 2.420 473 S HA -0.180 4.290 4.470 -0.000 0.000 0.237 473 S C 1.493 176.036 174.600 -0.095 0.000 1.023 473 S CA 1.079 59.252 58.200 -0.044 0.000 0.991 473 S CB -0.246 62.846 63.200 -0.180 0.000 0.792 473 S HN 0.264 nan 8.310 nan 0.000 0.488 474 V N 1.716 121.607 119.914 -0.039 0.000 3.490 474 V HA 0.056 4.176 4.120 -0.000 0.000 0.315 474 V C 1.711 177.912 176.094 0.178 0.000 1.284 474 V CA 0.915 63.232 62.300 0.028 0.000 1.233 474 V CB -0.660 31.257 31.823 0.156 0.000 1.101 474 V HN 0.525 nan 8.190 nan 0.000 0.425 475 T N 0.028 114.654 114.554 0.120 0.000 2.739 475 T HA -0.126 4.224 4.350 -0.000 0.000 0.249 475 T C 2.235 176.987 174.700 0.086 0.000 1.050 475 T CA 1.811 63.997 62.100 0.144 0.000 1.165 475 T CB -0.212 68.674 68.868 0.030 0.000 0.872 475 T HN 0.776 nan 8.240 nan 0.000 0.411 476 S N 2.079 117.787 115.700 0.014 0.000 2.428 476 S HA -0.101 4.369 4.470 -0.000 0.000 0.240 476 S C -0.778 173.810 174.600 -0.020 0.000 1.036 476 S CA 1.478 59.676 58.200 -0.003 0.000 1.009 476 S CB -1.842 61.349 63.200 -0.015 0.000 0.803 476 S HN 0.474 nan 8.310 nan 0.000 0.486 477 P HA 0.048 nan 4.420 nan 0.000 0.214 477 P C 1.004 178.239 177.300 -0.110 0.000 1.162 477 P CA 0.899 63.877 63.100 -0.202 0.000 0.871 477 P CB -0.216 31.250 31.700 -0.389 0.000 0.783 478 Y N -1.192 119.118 120.300 0.017 0.000 2.403 478 Y HA -0.091 4.459 4.550 -0.000 0.000 0.291 478 Y C 0.820 176.732 175.900 0.020 0.000 1.143 478 Y CA 0.627 58.744 58.100 0.027 0.000 1.257 478 Y CB -0.555 37.930 38.460 0.042 0.000 0.984 478 Y HN 0.022 nan 8.280 nan 0.000 0.550 479 N N 0.371 119.156 118.700 0.142 0.000 2.621 479 N HA -0.175 4.564 4.740 -0.000 0.000 0.269 479 N C -1.258 174.285 175.510 0.055 0.000 1.154 479 N CA 0.661 53.753 53.050 0.070 0.000 0.696 479 N CB -0.963 37.558 38.487 0.057 0.000 0.878 479 N HN 0.358 nan 8.380 nan 0.000 0.550 480 A N 1.765 124.605 122.820 0.032 0.000 2.498 480 A HA 0.721 5.041 4.320 -0.000 0.000 0.298 480 A C -0.836 176.639 177.584 -0.181 0.000 1.075 480 A CA -0.218 51.807 52.037 -0.020 0.000 0.714 480 A CB 1.364 20.394 19.000 0.049 0.000 1.299 480 A HN 0.598 nan 8.150 nan 0.000 0.407 481 D N -1.005 119.272 120.400 -0.204 0.000 2.450 481 D HA 0.579 5.219 4.640 -0.000 0.000 0.238 481 D C -0.540 175.607 176.300 -0.257 0.000 1.020 481 D CA -0.573 53.202 54.000 -0.376 0.000 1.010 481 D CB 0.707 41.402 40.800 -0.176 0.000 1.342 481 D HN 0.302 nan 8.370 nan 0.000 0.530 482 F N -0.549 119.414 119.950 0.022 0.000 2.639 482 F HA 0.129 4.656 4.527 -0.000 0.000 0.300 482 F C 0.856 176.660 175.800 0.007 0.000 1.109 482 F CA -0.750 57.260 58.000 0.016 0.000 1.335 482 F CB 0.274 39.283 39.000 0.016 0.000 1.014 482 F HN 0.278 nan 8.300 nan 0.000 0.537 483 D N 0.193 120.665 120.400 0.120 0.000 2.396 483 D HA 0.101 4.741 4.640 -0.000 0.000 0.255 483 D C 1.434 177.772 176.300 0.062 0.000 1.224 483 D CA 0.491 54.534 54.000 0.072 0.000 0.894 483 D CB -0.265 40.552 40.800 0.028 0.000 0.939 483 D HN 0.352 nan 8.370 nan 0.000 0.506 484 G N -0.107 108.744 108.800 0.086 0.000 2.151 484 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.156 484 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.156 484 G C -0.667 174.264 174.900 0.052 0.000 1.017 484 G CA -0.460 44.673 45.100 0.055 0.000 0.686 484 G HN 0.347 nan 8.290 nan 0.000 0.503 485 D N 0.696 121.144 120.400 0.081 0.000 2.283 485 D HA 0.561 5.201 4.640 -0.000 0.000 0.248 485 D C 0.602 176.943 176.300 0.068 0.000 1.072 485 D CA 0.162 54.202 54.000 0.065 0.000 0.929 485 D CB 1.128 41.972 40.800 0.073 0.000 1.182 485 D HN 0.501 nan 8.370 nan 0.000 0.433 486 E N 0.642 120.866 120.200 0.039 0.000 2.244 486 E HA 0.590 4.940 4.350 -0.000 0.000 0.266 486 E C -0.334 176.272 176.600 0.010 0.000 0.914 486 E CA -0.725 55.698 56.400 0.038 0.000 0.794 486 E CB 2.373 32.084 29.700 0.019 0.000 1.210 486 E HN 0.239 nan 8.360 nan 0.000 0.414 487 M N 1.260 120.881 119.600 0.035 0.000 2.593 487 M HA 0.402 4.882 4.480 -0.000 0.000 0.290 487 M C -1.143 175.078 176.300 -0.133 0.000 1.244 487 M CA -1.060 54.133 55.300 -0.178 0.000 0.857 487 M CB 2.180 34.466 32.600 -0.522 0.000 1.738 487 M HN 0.377 nan 8.290 nan 0.000 0.461 488 N N 1.711 120.197 118.700 -0.356 0.000 2.405 488 N HA 0.677 5.417 4.740 -0.000 0.000 0.299 488 N C -1.620 173.617 175.510 -0.456 0.000 1.075 488 N CA -0.518 52.353 53.050 -0.298 0.000 0.884 488 N CB 2.020 40.345 38.487 -0.270 0.000 1.194 488 N HN 0.406 nan 8.380 nan 0.000 0.491 489 L N 2.244 123.259 121.223 -0.347 0.000 2.385 489 L HA 0.454 4.794 4.340 -0.000 0.000 0.273 489 L C -1.143 175.537 176.870 -0.317 0.000 0.990 489 L CA -0.479 54.224 54.840 -0.229 0.000 0.821 489 L CB 1.029 42.935 42.059 -0.255 0.000 1.279 489 L HN 0.508 nan 8.230 nan 0.000 0.412 490 H N 3.801 122.920 119.070 0.080 0.000 2.569 490 H HA 0.648 5.204 4.556 -0.000 0.000 0.357 490 H C -1.085 174.308 175.328 0.109 0.000 1.153 490 H CA -0.646 55.461 56.048 0.099 0.000 1.193 490 H CB 2.453 32.259 29.762 0.074 0.000 1.602 490 H HN 0.412 nan 8.280 nan 0.000 0.523 491 V N 5.566 125.646 119.914 0.278 0.000 2.409 491 V HA 0.187 4.307 4.120 -0.000 0.000 0.291 491 V C -1.754 174.440 176.094 0.167 0.000 1.020 491 V CA -1.556 60.877 62.300 0.221 0.000 0.848 491 V CB 1.683 33.678 31.823 0.287 0.000 0.990 491 V HN 0.654 nan 8.190 nan 0.000 0.430 492 P HA 0.011 nan 4.420 nan 0.000 0.273 492 P C -0.484 176.881 177.300 0.109 0.000 1.252 492 P CA 0.318 63.469 63.100 0.086 0.000 0.809 492 P CB 1.357 33.102 31.700 0.075 0.000 1.017 493 Q N -1.654 118.190 119.800 0.073 0.000 2.181 493 Q HA 0.194 4.534 4.340 -0.000 0.000 0.244 493 Q C 0.028 176.000 176.000 -0.046 0.000 0.745 493 Q CA 0.385 56.159 55.803 -0.048 0.000 0.934 493 Q CB 0.424 28.995 28.738 -0.278 0.000 1.220 493 Q HN 0.360 nan 8.270 nan 0.000 0.478 494 S N 0.273 115.994 115.700 0.035 0.000 2.549 494 S HA 0.196 4.666 4.470 -0.000 0.000 0.297 494 S C 0.423 175.096 174.600 0.123 0.000 1.115 494 S CA -0.449 57.768 58.200 0.027 0.000 1.059 494 S CB 1.623 64.820 63.200 -0.005 0.000 1.046 494 S HN 0.200 nan 8.310 nan 0.000 0.506 495 E N 2.167 122.443 120.200 0.126 0.000 2.219 495 E HA -0.221 4.128 4.350 -0.000 0.000 0.198 495 E C 1.647 178.295 176.600 0.081 0.000 0.998 495 E CA 1.938 58.422 56.400 0.141 0.000 0.818 495 E CB 0.010 29.778 29.700 0.113 0.000 0.741 495 E HN 0.810 nan 8.360 nan 0.000 0.477 496 E N -1.923 118.310 120.200 0.056 0.000 2.299 496 E HA -0.035 4.315 4.350 -0.000 0.000 0.193 496 E C 1.892 178.508 176.600 0.027 0.000 0.998 496 E CA 1.075 57.498 56.400 0.037 0.000 0.851 496 E CB -0.249 29.467 29.700 0.027 0.000 0.795 496 E HN -0.006 nan 8.360 nan 0.000 0.492 497 T N 1.216 115.789 114.554 0.031 0.000 2.701 497 T HA -0.099 4.251 4.350 -0.000 0.000 0.263 497 T C 1.766 176.479 174.700 0.022 0.000 1.040 497 T CA 1.732 63.843 62.100 0.019 0.000 1.147 497 T CB -0.116 68.762 68.868 0.017 0.000 0.865 497 T HN 0.259 nan 8.240 nan 0.000 0.426 498 R N 1.647 122.170 120.500 0.038 0.000 2.096 498 R HA -0.078 4.262 4.340 -0.000 0.000 0.240 498 R C 2.688 178.990 176.300 0.002 0.000 1.139 498 R CA 1.516 57.623 56.100 0.012 0.000 0.952 498 R CB -0.903 29.392 30.300 -0.007 0.000 0.854 498 R HN 0.342 nan 8.270 nan 0.000 0.436 499 A N 1.739 124.567 122.820 0.012 0.000 1.927 499 A HA -0.258 4.062 4.320 -0.000 0.000 0.220 499 A C 2.042 179.627 177.584 0.002 0.000 1.185 499 A CA 1.864 53.906 52.037 0.009 0.000 0.639 499 A CB -0.512 18.500 19.000 0.021 0.000 0.820 499 A HN 0.470 nan 8.150 nan 0.000 0.451 500 E N -0.984 119.217 120.200 0.001 0.000 2.274 500 E HA -0.053 4.297 4.350 -0.000 0.000 0.194 500 E C 1.787 178.376 176.600 -0.018 0.000 0.996 500 E CA 0.627 57.022 56.400 -0.008 0.000 0.840 500 E CB -0.106 29.587 29.700 -0.013 0.000 0.772 500 E HN 0.687 nan 8.360 nan 0.000 0.491 501 L N -0.075 121.139 121.223 -0.015 0.000 2.145 501 L HA -0.082 4.258 4.340 -0.000 0.000 0.201 501 L C 2.567 179.418 176.870 -0.031 0.000 1.075 501 L CA 0.917 55.744 54.840 -0.022 0.000 0.773 501 L CB -0.157 41.895 42.059 -0.013 0.000 0.936 501 L HN 0.098 nan 8.230 nan 0.000 0.451 502 S N -1.183 114.501 115.700 -0.026 0.000 2.402 502 S HA -0.170 4.300 4.470 -0.000 0.000 0.229 502 S C 1.848 176.432 174.600 -0.027 0.000 1.021 502 S CA 0.710 58.894 58.200 -0.028 0.000 0.974 502 S CB -0.192 62.994 63.200 -0.022 0.000 0.800 502 S HN 0.271 nan 8.310 nan 0.000 0.484 503 Q N -0.109 119.677 119.800 -0.023 0.000 2.392 503 Q HA 0.452 4.792 4.340 -0.000 0.000 0.203 503 Q C 0.679 176.657 176.000 -0.036 0.000 0.917 503 Q CA 0.452 56.241 55.803 -0.023 0.000 0.939 503 Q CB 0.279 29.011 28.738 -0.011 0.000 1.063 503 Q HN 0.560 nan 8.270 nan 0.000 0.516 504 L N -3.331 117.866 121.223 -0.043 0.000 3.679 504 L HA 0.156 4.496 4.340 -0.000 0.000 0.342 504 L C 0.830 177.662 176.870 -0.065 0.000 1.170 504 L CA 0.288 55.094 54.840 -0.057 0.000 1.221 504 L CB 0.488 42.513 42.059 -0.056 0.000 1.654 504 L HN 0.005 nan 8.230 nan 0.000 0.628 505 C N 0.198 119.461 119.300 -0.061 0.000 3.230 505 C HA 0.603 5.063 4.460 -0.000 0.000 0.300 505 C C 1.491 176.423 174.990 -0.096 0.000 1.292 505 C CA -0.542 58.432 59.018 -0.073 0.000 1.707 505 C CB -0.226 27.481 27.740 -0.055 0.000 2.181 505 C HN 0.375 nan 8.230 nan 0.000 0.655 506 A N 1.342 124.112 122.820 -0.084 0.000 2.561 506 A HA 0.291 4.611 4.320 -0.000 0.000 0.251 506 A C 1.462 178.981 177.584 -0.109 0.000 1.062 506 A CA 0.399 52.380 52.037 -0.093 0.000 0.761 506 A CB 0.189 19.154 19.000 -0.057 0.000 0.986 506 A HN 0.314 nan 8.150 nan 0.000 0.510 507 V N 4.575 124.399 119.914 -0.150 0.000 2.311 507 V HA -0.281 3.839 4.120 -0.000 0.000 0.256 507 V C -0.159 175.879 176.094 -0.094 0.000 1.077 507 V CA 2.889 65.106 62.300 -0.138 0.000 1.067 507 V CB -1.632 30.138 31.823 -0.089 0.000 0.659 507 V HN 0.825 nan 8.190 nan 0.000 0.451 508 P HA -0.168 nan 4.420 nan 0.000 0.216 508 P C 1.825 179.108 177.300 -0.028 0.000 1.150 508 P CA 1.475 64.562 63.100 -0.021 0.000 0.843 508 P CB -0.093 31.608 31.700 0.001 0.000 0.787 509 L N -1.260 119.934 121.223 -0.048 0.000 2.156 509 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 509 L C 2.205 179.031 176.870 -0.074 0.000 1.095 509 L CA 1.098 55.907 54.840 -0.053 0.000 0.770 509 L CB -0.822 41.201 42.059 -0.060 0.000 0.914 509 L HN -0.047 nan 8.230 nan 0.000 0.439 510 Q N -0.086 119.654 119.800 -0.100 0.000 2.472 510 Q HA 0.017 4.357 4.340 -0.000 0.000 0.208 510 Q C 2.179 178.107 176.000 -0.121 0.000 0.958 510 Q CA 0.691 56.416 55.803 -0.130 0.000 0.932 510 Q CB -0.077 28.553 28.738 -0.181 0.000 1.007 510 Q HN 0.579 nan 8.270 nan 0.000 0.508 511 I N -0.061 120.462 120.570 -0.079 0.000 2.143 511 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 511 I C 0.757 176.855 176.117 -0.031 0.000 1.068 511 I CA 0.982 62.259 61.300 -0.038 0.000 1.326 511 I CB -0.223 37.806 38.000 0.047 0.000 1.028 511 I HN -0.097 nan 8.210 nan 0.000 0.412 512 V N 1.610 121.505 119.914 -0.031 0.000 2.385 512 V HA 0.123 4.243 4.120 -0.000 0.000 0.269 512 V C 0.275 176.325 176.094 -0.074 0.000 1.043 512 V CA -0.190 62.090 62.300 -0.032 0.000 0.906 512 V CB 1.223 33.042 31.823 -0.007 0.000 0.995 512 V HN 0.258 nan 8.190 nan 0.000 0.467 513 S N 7.775 123.423 115.700 -0.087 0.000 2.499 513 S HA 0.439 4.909 4.470 -0.000 0.000 0.279 513 S C -1.061 173.511 174.600 -0.045 0.000 1.219 513 S CA -1.387 56.759 58.200 -0.090 0.000 1.062 513 S CB 1.588 64.717 63.200 -0.119 0.000 0.978 513 S HN 0.641 nan 8.310 nan 0.000 0.489 514 P HA -0.086 nan 4.420 nan 0.000 0.231 514 P C 1.037 178.434 177.300 0.161 0.000 1.168 514 P CA 0.616 63.759 63.100 0.071 0.000 0.779 514 P CB 0.004 31.760 31.700 0.095 0.000 0.844 515 Q N 1.524 121.363 119.800 0.066 0.000 2.439 515 Q HA -0.068 4.272 4.340 -0.000 0.000 0.211 515 Q C 0.810 176.829 176.000 0.032 0.000 0.978 515 Q CA 1.794 57.619 55.803 0.036 0.000 0.897 515 Q CB -0.591 28.121 28.738 -0.044 0.000 0.956 515 Q HN 0.226 nan 8.270 nan 0.000 0.483 516 S N -0.618 115.045 115.700 -0.060 0.000 2.865 516 S HA 0.123 4.593 4.470 -0.000 0.000 0.240 516 S C -0.570 173.899 174.600 -0.217 0.000 0.795 516 S CA -0.379 57.652 58.200 -0.280 0.000 1.073 516 S CB -1.214 61.832 63.200 -0.256 0.000 1.393 516 S HN 0.599 nan 8.310 nan 0.000 0.491 517 N N 1.964 120.616 118.700 -0.081 0.000 2.730 517 N HA -0.298 4.442 4.740 -0.000 0.000 0.266 517 N C -0.479 175.026 175.510 -0.009 0.000 0.949 517 N CA 1.810 54.862 53.050 0.004 0.000 0.829 517 N CB -1.557 36.975 38.487 0.076 0.000 0.916 517 N HN 0.997 nan 8.380 nan 0.000 0.558 518 K N -2.467 117.872 120.400 -0.102 0.000 2.597 518 K HA 0.491 4.811 4.320 -0.000 0.000 0.282 518 K C -3.355 173.101 176.600 -0.239 0.000 0.975 518 K CA -1.894 54.218 56.287 -0.292 0.000 0.867 518 K CB 2.087 34.453 32.500 -0.224 0.000 1.465 518 K HN -0.092 nan 8.250 nan 0.000 0.417 519 P HA -0.031 nan 4.420 nan 0.000 0.268 519 P C 0.549 177.794 177.300 -0.091 0.000 1.208 519 P CA -0.219 62.812 63.100 -0.114 0.000 0.777 519 P CB 0.477 32.145 31.700 -0.054 0.000 0.875 520 C N 0.565 119.822 119.300 -0.073 0.000 3.255 520 C HA 0.564 5.024 4.460 -0.000 0.000 0.282 520 C C 0.289 175.230 174.990 -0.081 0.000 1.441 520 C CA -0.512 58.451 59.018 -0.091 0.000 1.785 520 C CB -1.180 26.469 27.740 -0.153 0.000 2.583 520 C HN 0.383 nan 8.230 nan 0.000 0.615 521 M N 1.016 120.595 119.600 -0.036 0.000 2.518 521 M HA 0.653 5.133 4.480 -0.000 0.000 0.300 521 M C 0.360 176.734 176.300 0.123 0.000 1.175 521 M CA 0.256 55.529 55.300 -0.044 0.000 0.890 521 M CB 2.378 34.855 32.600 -0.206 0.000 1.710 521 M HN 0.383 nan 8.290 nan 0.000 0.453 522 G N 2.059 110.954 108.800 0.158 0.000 3.310 522 G HA2 0.788 4.748 3.960 -0.000 0.000 0.174 522 G HA3 0.788 4.748 3.960 -0.000 0.000 0.174 522 G C -1.218 173.884 174.900 0.338 0.000 1.097 522 G CA -0.439 44.824 45.100 0.272 0.000 0.795 522 G HN 0.575 nan 8.290 nan 0.000 0.670 523 I N 0.900 121.573 120.570 0.171 0.000 2.534 523 I HA 0.498 4.668 4.170 -0.000 0.000 0.288 523 I C -0.704 175.456 176.117 0.072 0.000 1.077 523 I CA -0.656 60.726 61.300 0.137 0.000 1.051 523 I CB 2.086 40.131 38.000 0.075 0.000 1.234 523 I HN 0.175 nan 8.210 nan 0.000 0.425 524 V N 4.229 124.182 119.914 0.064 0.000 3.164 524 V HA 0.529 4.649 4.120 -0.000 0.000 0.313 524 V C 0.082 176.194 176.094 0.030 0.000 1.188 524 V CA -0.668 61.654 62.300 0.036 0.000 1.058 524 V CB 1.517 33.357 31.823 0.029 0.000 1.110 524 V HN 0.904 nan 8.190 nan 0.000 0.453 525 Q N -0.212 119.601 119.800 0.020 0.000 1.715 525 Q HA -0.353 3.987 4.340 -0.000 0.000 0.433 525 Q C 1.015 177.020 176.000 0.008 0.000 0.895 525 Q CA 1.883 57.700 55.803 0.023 0.000 0.712 525 Q CB -1.484 27.280 28.738 0.044 0.000 4.301 525 Q HN 0.951 nan 8.270 nan 0.000 0.726 526 D N 0.480 120.896 120.400 0.026 0.000 2.549 526 D HA -0.219 4.421 4.640 -0.000 0.000 0.199 526 D C 1.953 178.251 176.300 -0.003 0.000 1.034 526 D CA 3.068 57.078 54.000 0.016 0.000 0.880 526 D CB -0.814 40.018 40.800 0.054 0.000 1.044 526 D HN 0.657 nan 8.370 nan 0.000 0.469 527 T N 0.306 114.873 114.554 0.022 0.000 2.680 527 T HA -0.243 4.107 4.350 -0.000 0.000 0.268 527 T C 1.806 176.493 174.700 -0.022 0.000 1.033 527 T CA 1.528 63.636 62.100 0.012 0.000 1.152 527 T CB -0.489 68.405 68.868 0.043 0.000 0.859 527 T HN 0.076 nan 8.240 nan 0.000 0.452 528 L N 0.790 122.001 121.223 -0.020 0.000 1.982 528 L HA 0.063 4.403 4.340 -0.000 0.000 0.206 528 L C 2.775 179.596 176.870 -0.081 0.000 1.078 528 L CA 1.529 56.343 54.840 -0.042 0.000 0.749 528 L CB -1.452 40.594 42.059 -0.022 0.000 0.894 528 L HN 0.446 nan 8.230 nan 0.000 0.436 529 C N 0.476 119.716 119.300 -0.101 0.000 2.336 529 C HA -0.240 4.220 4.460 -0.000 0.000 0.275 529 C C 2.871 177.744 174.990 -0.194 0.000 1.175 529 C CA 1.616 60.523 59.018 -0.186 0.000 1.771 529 C CB -1.691 25.880 27.740 -0.281 0.000 2.030 529 C HN 0.762 nan 8.230 nan 0.000 0.442 530 G N -0.337 108.374 108.800 -0.149 0.000 2.442 530 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.219 530 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.219 530 G C 1.597 176.412 174.900 -0.141 0.000 1.141 530 G CA 0.952 46.014 45.100 -0.064 0.000 0.763 530 G HN 0.729 nan 8.290 nan 0.000 0.554 531 I N 0.267 120.751 120.570 -0.144 0.000 2.700 531 I HA -0.084 4.086 4.170 -0.000 0.000 0.261 531 I C 2.685 178.675 176.117 -0.211 0.000 1.219 531 I CA 1.090 62.274 61.300 -0.193 0.000 1.463 531 I CB -0.055 37.862 38.000 -0.138 0.000 1.092 531 I HN 0.241 nan 8.210 nan 0.000 0.452 532 R N 0.962 121.361 120.500 -0.169 0.000 2.052 532 R HA -0.111 4.229 4.340 -0.000 0.000 0.224 532 R C 2.214 178.419 176.300 -0.157 0.000 1.149 532 R CA 0.931 56.945 56.100 -0.143 0.000 0.962 532 R CB -0.197 30.042 30.300 -0.102 0.000 0.856 532 R HN 0.178 nan 8.270 nan 0.000 0.433 533 K N 0.864 121.186 120.400 -0.130 0.000 2.000 533 K HA -0.224 4.096 4.320 -0.000 0.000 0.218 533 K C 2.112 178.572 176.600 -0.234 0.000 1.053 533 K CA 1.872 58.128 56.287 -0.053 0.000 0.946 533 K CB -0.711 31.881 32.500 0.154 0.000 0.723 533 K HN 0.179 nan 8.250 nan 0.000 0.446 534 L N 1.705 122.517 121.223 -0.686 0.000 2.369 534 L HA -0.234 4.106 4.340 -0.000 0.000 0.220 534 L C 1.946 178.493 176.870 -0.539 0.000 1.119 534 L CA 1.801 55.979 54.840 -1.103 0.000 0.780 534 L CB -0.489 40.739 42.059 -1.385 0.000 0.906 534 L HN 0.191 nan 8.230 nan 0.000 0.442 535 T N -0.545 113.806 114.554 -0.337 0.000 2.755 535 T HA 0.087 4.437 4.350 -0.000 0.000 0.251 535 T C 0.758 175.363 174.700 -0.159 0.000 1.044 535 T CA 0.173 62.137 62.100 -0.227 0.000 1.154 535 T CB -0.262 68.502 68.868 -0.174 0.000 0.866 535 T HN 0.194 nan 8.240 nan 0.000 0.416 536 L N 2.294 123.456 121.223 -0.102 0.000 3.604 536 L HA -0.238 4.102 4.340 -0.000 0.000 0.441 536 L C 1.751 178.598 176.870 -0.038 0.000 1.182 536 L CA 0.121 54.937 54.840 -0.041 0.000 0.725 536 L CB 0.184 42.247 42.059 0.007 0.000 0.985 536 L HN 0.279 nan 8.230 nan 0.000 0.791 537 R N 1.903 122.403 120.500 -0.000 0.000 2.103 537 R HA -0.227 4.113 4.340 -0.000 0.000 0.242 537 R C 1.619 178.000 176.300 0.134 0.000 1.142 537 R CA 1.953 58.068 56.100 0.024 0.000 0.960 537 R CB -0.315 30.029 30.300 0.073 0.000 0.858 537 R HN 0.736 nan 8.270 nan 0.000 0.439 538 D N 0.337 120.835 120.400 0.163 0.000 2.203 538 D HA -0.102 4.538 4.640 -0.000 0.000 0.199 538 D C -0.094 176.413 176.300 0.345 0.000 0.997 538 D CA 1.020 55.164 54.000 0.240 0.000 0.863 538 D CB 0.009 40.895 40.800 0.144 0.000 0.928 538 D HN 0.038 nan 8.370 nan 0.000 0.458 539 T N 0.637 115.308 114.554 0.194 0.000 2.752 539 T HA 0.260 4.610 4.350 -0.000 0.000 0.295 539 T C -0.482 174.269 174.700 0.085 0.000 0.923 539 T CA -0.056 62.158 62.100 0.191 0.000 1.112 539 T CB 0.064 68.983 68.868 0.084 0.000 0.884 539 T HN -0.103 nan 8.240 nan 0.000 0.525 540 F N 2.710 122.737 119.950 0.128 0.000 2.532 540 F HA 0.629 5.156 4.527 -0.000 0.000 0.321 540 F C 0.137 176.053 175.800 0.192 0.000 1.089 540 F CA -1.328 56.754 58.000 0.137 0.000 0.926 540 F CB 1.403 40.462 39.000 0.099 0.000 1.168 540 F HN 0.336 nan 8.300 nan 0.000 0.459 541 I N 2.438 123.223 120.570 0.359 0.000 2.465 541 I HA 0.315 4.485 4.170 -0.000 0.000 0.291 541 I C -0.609 175.755 176.117 0.412 0.000 1.014 541 I CA -0.771 60.728 61.300 0.332 0.000 1.093 541 I CB 1.947 40.101 38.000 0.256 0.000 1.267 541 I HN 0.610 nan 8.210 nan 0.000 0.431 542 E N 5.420 125.805 120.200 0.309 0.000 2.283 542 E HA 0.198 4.548 4.350 -0.000 0.000 0.271 542 E C 0.737 177.461 176.600 0.206 0.000 1.031 542 E CA -0.761 55.844 56.400 0.341 0.000 0.868 542 E CB 1.844 31.679 29.700 0.225 0.000 1.094 542 E HN 0.434 nan 8.360 nan 0.000 0.401 543 L N 2.672 124.059 121.223 0.273 0.000 2.012 543 L HA -0.386 3.954 4.340 -0.000 0.000 0.236 543 L C 1.987 178.816 176.870 -0.068 0.000 1.099 543 L CA 3.075 57.907 54.840 -0.013 0.000 0.821 543 L CB -1.003 41.165 42.059 0.182 0.000 0.918 543 L HN 0.968 nan 8.230 nan 0.000 0.445 544 D N -1.349 119.068 120.400 0.028 0.000 2.248 544 D HA -0.337 4.303 4.640 -0.000 0.000 0.191 544 D C 1.900 178.217 176.300 0.027 0.000 1.013 544 D CA 2.489 56.507 54.000 0.031 0.000 0.883 544 D CB -0.646 40.187 40.800 0.055 0.000 0.915 544 D HN 0.755 nan 8.370 nan 0.000 0.448 545 Q N -0.289 119.525 119.800 0.023 0.000 2.084 545 Q HA 0.036 4.376 4.340 -0.000 0.000 0.194 545 Q C 2.650 178.640 176.000 -0.017 0.000 0.969 545 Q CA 0.601 56.435 55.803 0.052 0.000 0.829 545 Q CB 0.134 28.898 28.738 0.044 0.000 0.904 545 Q HN 0.151 nan 8.270 nan 0.000 0.464 546 V N 1.868 121.693 119.914 -0.148 0.000 2.357 546 V HA -0.351 3.769 4.120 -0.000 0.000 0.257 546 V C 2.227 178.105 176.094 -0.360 0.000 1.082 546 V CA 1.755 63.847 62.300 -0.347 0.000 1.078 546 V CB -0.601 30.719 31.823 -0.839 0.000 0.663 546 V HN 0.372 nan 8.190 nan 0.000 0.455 547 L N -0.472 120.578 121.223 -0.289 0.000 2.027 547 L HA -0.154 4.186 4.340 -0.000 0.000 0.206 547 L C 2.485 179.269 176.870 -0.143 0.000 1.074 547 L CA 1.643 56.333 54.840 -0.250 0.000 0.745 547 L CB -0.755 41.218 42.059 -0.143 0.000 0.898 547 L HN 0.385 nan 8.230 nan 0.000 0.433 548 N N 0.045 118.753 118.700 0.013 0.000 2.084 548 N HA -0.160 4.580 4.740 -0.000 0.000 0.190 548 N C 1.943 177.513 175.510 0.101 0.000 1.030 548 N CA 1.420 54.551 53.050 0.135 0.000 0.849 548 N CB -0.233 38.420 38.487 0.275 0.000 1.012 548 N HN 0.284 nan 8.380 nan 0.000 0.423 549 M N 0.748 120.414 119.600 0.109 0.000 2.082 549 M HA -0.190 4.290 4.480 -0.000 0.000 0.258 549 M C 2.148 178.406 176.300 -0.071 0.000 1.069 549 M CA 1.433 56.766 55.300 0.056 0.000 1.102 549 M CB -0.522 32.117 32.600 0.065 0.000 1.336 549 M HN 0.108 nan 8.290 nan 0.000 0.404 550 L N -1.406 119.643 121.223 -0.291 0.000 2.013 550 L HA -0.282 4.058 4.340 -0.000 0.000 0.212 550 L C 2.612 179.258 176.870 -0.373 0.000 1.073 550 L CA 1.544 55.995 54.840 -0.648 0.000 0.753 550 L CB -1.003 40.238 42.059 -1.362 0.000 0.890 550 L HN 0.275 nan 8.230 nan 0.000 0.432 551 Y N -0.672 119.439 120.300 -0.315 0.000 2.315 551 Y HA -0.266 4.284 4.550 -0.000 0.000 0.288 551 Y C 2.060 177.952 175.900 -0.012 0.000 1.154 551 Y CA 0.903 58.972 58.100 -0.052 0.000 1.229 551 Y CB -0.492 37.949 38.460 -0.031 0.000 0.980 551 Y HN 0.109 nan 8.280 nan 0.000 0.540 552 W N -0.226 120.909 121.300 -0.275 0.000 2.388 552 W HA -0.010 4.650 4.660 -0.000 0.000 0.294 552 W C 0.723 177.115 176.519 -0.211 0.000 1.212 552 W CA 1.342 58.486 57.345 -0.334 0.000 1.271 552 W CB -0.740 28.518 29.460 -0.336 0.000 1.126 552 W HN -0.385 nan 8.180 nan 0.000 0.535 553 V N 4.753 124.724 119.914 0.095 0.000 2.390 553 V HA -0.056 4.064 4.120 -0.000 0.000 0.260 553 V C -0.799 175.339 176.094 0.074 0.000 1.043 553 V CA -0.601 61.748 62.300 0.082 0.000 1.047 553 V CB 0.166 32.042 31.823 0.089 0.000 1.066 553 V HN -0.021 nan 8.190 nan 0.000 0.481 554 P HA -0.151 nan 4.420 nan 0.000 0.220 554 P C 0.525 177.852 177.300 0.045 0.000 1.144 554 P CA 1.216 64.295 63.100 -0.034 0.000 0.800 554 P CB 0.406 32.059 31.700 -0.077 0.000 0.772 555 D N -1.951 118.499 120.400 0.084 0.000 2.388 555 D HA 0.014 4.654 4.640 -0.000 0.000 0.221 555 D C 0.253 176.639 176.300 0.142 0.000 1.133 555 D CA -0.380 53.668 54.000 0.081 0.000 0.831 555 D CB -0.335 40.498 40.800 0.056 0.000 0.962 555 D HN 0.195 nan 8.370 nan 0.000 0.502 556 W N 4.179 125.485 121.300 0.010 0.000 2.264 556 W HA -0.023 4.637 4.660 -0.000 0.000 0.331 556 W C 1.069 177.605 176.519 0.028 0.000 1.364 556 W CA -0.789 56.572 57.345 0.026 0.000 1.253 556 W CB 0.588 30.076 29.460 0.047 0.000 1.215 556 W HN -0.038 nan 8.180 nan 0.000 0.561 557 D N 3.952 124.134 120.400 -0.364 0.000 2.371 557 D HA 0.009 4.649 4.640 -0.000 0.000 0.234 557 D C 1.288 177.086 176.300 -0.837 0.000 1.049 557 D CA 0.623 54.358 54.000 -0.442 0.000 0.907 557 D CB -0.672 40.013 40.800 -0.193 0.000 0.891 557 D HN 0.806 nan 8.370 nan 0.000 0.531 558 G N 0.022 107.629 108.800 -1.988 0.000 2.333 558 G HA2 -0.193 3.766 3.960 -0.000 0.000 0.296 558 G HA3 -0.193 3.766 3.960 -0.000 0.000 0.296 558 G C -0.109 174.268 174.900 -0.871 0.000 1.059 558 G CA 0.170 44.027 45.100 -2.071 0.000 1.050 558 G HN 0.393 nan 8.290 nan 0.000 0.508 559 V N 2.451 122.144 119.914 -0.369 0.000 2.538 559 V HA 0.254 4.373 4.120 -0.000 0.000 0.265 559 V C 0.851 177.254 176.094 0.514 0.000 0.977 559 V CA -0.868 61.523 62.300 0.152 0.000 0.852 559 V CB 0.936 32.797 31.823 0.064 0.000 1.058 559 V HN 0.533 nan 8.190 nan 0.000 0.462 560 I N 4.475 125.372 120.570 0.546 0.000 2.948 560 I HA 0.093 4.263 4.170 -0.000 0.000 0.284 560 I C -1.385 174.923 176.117 0.318 0.000 1.181 560 I CA -0.850 60.676 61.300 0.377 0.000 1.372 560 I CB -0.368 37.794 38.000 0.270 0.000 1.443 560 I HN 0.341 nan 8.210 nan 0.000 0.554 561 P HA 0.032 nan 4.420 nan 0.000 0.268 561 P C -0.170 177.378 177.300 0.414 0.000 1.205 561 P CA -0.102 63.181 63.100 0.305 0.000 0.771 561 P CB 0.426 32.284 31.700 0.263 0.000 0.858 562 T N 4.066 118.774 114.554 0.257 0.000 2.793 562 T HA 0.151 4.501 4.350 -0.000 0.000 0.289 562 T C -2.034 172.689 174.700 0.040 0.000 0.956 562 T CA -0.857 61.342 62.100 0.165 0.000 1.177 562 T CB -1.003 67.912 68.868 0.080 0.000 0.897 562 T HN 0.364 nan 8.240 nan 0.000 0.533 563 P HA 0.052 nan 4.420 nan 0.000 0.268 563 P C 0.627 177.668 177.300 -0.433 0.000 1.189 563 P CA -0.065 62.484 63.100 -0.918 0.000 0.771 563 P CB 0.396 31.396 31.700 -1.166 0.000 0.822 564 A N 3.481 126.067 122.820 -0.389 0.000 1.854 564 A HA 0.003 4.323 4.320 -0.000 0.000 0.214 564 A C 1.019 178.532 177.584 -0.118 0.000 1.192 564 A CA 1.132 53.078 52.037 -0.152 0.000 0.611 564 A CB -0.577 18.375 19.000 -0.080 0.000 0.832 564 A HN 0.517 nan 8.150 nan 0.000 0.442 565 I N 0.226 120.718 120.570 -0.131 0.000 2.359 565 I HA 0.285 4.455 4.170 -0.000 0.000 0.294 565 I C 0.255 176.265 176.117 -0.177 0.000 0.987 565 I CA -0.073 61.176 61.300 -0.086 0.000 1.225 565 I CB 1.635 39.641 38.000 0.008 0.000 1.366 565 I HN 0.295 nan 8.210 nan 0.000 0.466 566 I N 4.579 125.075 120.570 -0.122 0.000 4.433 566 I HA -0.017 4.153 4.170 -0.000 0.000 0.322 566 I C 1.766 177.842 176.117 -0.070 0.000 1.284 566 I CA -0.169 61.062 61.300 -0.115 0.000 1.269 566 I CB -0.110 37.835 38.000 -0.092 0.000 1.219 566 I HN 0.541 nan 8.210 nan 0.000 0.436 567 K N 3.346 123.713 120.400 -0.056 0.000 2.436 567 K HA -0.184 4.136 4.320 -0.000 0.000 0.228 567 K C -0.810 175.769 176.600 -0.035 0.000 0.733 567 K CA 1.669 57.931 56.287 -0.041 0.000 0.930 567 K CB -2.497 29.978 32.500 -0.041 0.000 0.423 567 K HN 0.107 nan 8.250 nan 0.000 0.939 568 P HA -0.089 nan 4.420 nan 0.000 0.215 568 P C -0.116 177.173 177.300 -0.018 0.000 1.157 568 P CA 1.314 64.400 63.100 -0.024 0.000 0.856 568 P CB 0.199 31.884 31.700 -0.026 0.000 0.786 569 K N 1.180 121.566 120.400 -0.025 0.000 2.323 569 K HA 0.347 4.667 4.320 -0.000 0.000 0.259 569 K C -2.572 174.008 176.600 -0.033 0.000 0.947 569 K CA -2.710 53.572 56.287 -0.007 0.000 0.819 569 K CB 2.028 34.533 32.500 0.008 0.000 1.109 569 K HN -0.074 nan 8.250 nan 0.000 0.429 570 P HA 0.095 nan 4.420 nan 0.000 0.275 570 P C -1.103 176.072 177.300 -0.208 0.000 1.276 570 P CA -0.300 62.686 63.100 -0.189 0.000 0.782 570 P CB 0.680 32.288 31.700 -0.154 0.000 0.851 571 L N 4.369 125.439 121.223 -0.255 0.000 2.286 571 L HA 0.629 4.968 4.340 -0.000 0.000 0.265 571 L C 0.016 176.775 176.870 -0.185 0.000 1.012 571 L CA -0.487 54.373 54.840 0.034 0.000 0.818 571 L CB 1.434 43.659 42.059 0.277 0.000 1.337 571 L HN 0.405 nan 8.230 nan 0.000 0.438 572 W N -0.067 121.320 121.300 0.146 0.000 2.864 572 W HA 0.554 5.214 4.660 -0.000 0.000 0.343 572 W C -0.461 175.984 176.519 -0.123 0.000 1.109 572 W CA -0.742 56.617 57.345 0.023 0.000 1.192 572 W CB 2.270 31.734 29.460 0.007 0.000 1.426 572 W HN 0.492 nan 8.180 nan 0.000 0.529 573 S N -0.043 115.614 115.700 -0.072 0.000 2.617 573 S HA 0.494 4.964 4.470 -0.000 0.000 0.283 573 S C 0.890 175.384 174.600 -0.177 0.000 1.189 573 S CA -0.077 57.900 58.200 -0.372 0.000 1.036 573 S CB 1.872 64.796 63.200 -0.459 0.000 1.014 573 S HN 0.641 nan 8.310 nan 0.000 0.522 574 G N 1.932 110.591 108.800 -0.236 0.000 2.639 574 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.216 574 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.216 574 G C 1.185 175.956 174.900 -0.214 0.000 1.267 574 G CA 1.012 45.955 45.100 -0.261 0.000 0.801 574 G HN 0.811 nan 8.290 nan 0.000 0.592 575 K N -0.031 120.247 120.400 -0.205 0.000 2.148 575 K HA -0.320 4.000 4.320 -0.000 0.000 0.213 575 K C 2.572 179.109 176.600 -0.106 0.000 1.050 575 K CA 1.907 58.102 56.287 -0.153 0.000 0.932 575 K CB -0.351 32.073 32.500 -0.128 0.000 0.717 575 K HN 0.415 nan 8.250 nan 0.000 0.462 576 Q N 0.340 120.093 119.800 -0.080 0.000 2.077 576 Q HA -0.203 4.137 4.340 -0.000 0.000 0.206 576 Q C 2.297 178.299 176.000 0.002 0.000 0.989 576 Q CA 2.106 57.906 55.803 -0.004 0.000 0.853 576 Q CB -0.151 28.632 28.738 0.075 0.000 0.907 576 Q HN 0.614 nan 8.270 nan 0.000 0.418 577 I N -2.787 117.759 120.570 -0.040 0.000 2.731 577 I HA -0.062 4.108 4.170 -0.000 0.000 0.260 577 I C 2.169 178.231 176.117 -0.092 0.000 1.138 577 I CA 0.330 61.588 61.300 -0.070 0.000 1.461 577 I CB -0.402 37.528 38.000 -0.116 0.000 1.128 577 I HN 0.072 nan 8.210 nan 0.000 0.438 578 L N 1.758 122.901 121.223 -0.133 0.000 2.197 578 L HA -0.189 4.151 4.340 -0.000 0.000 0.215 578 L C 2.279 179.095 176.870 -0.090 0.000 1.095 578 L CA 1.942 56.702 54.840 -0.134 0.000 0.764 578 L CB -0.765 41.187 42.059 -0.178 0.000 0.897 578 L HN 0.288 nan 8.230 nan 0.000 0.436 579 S N -1.128 114.528 115.700 -0.073 0.000 2.419 579 S HA -0.132 4.337 4.470 -0.000 0.000 0.233 579 S C 1.906 176.495 174.600 -0.017 0.000 1.016 579 S CA 1.226 59.398 58.200 -0.047 0.000 0.974 579 S CB -0.449 62.732 63.200 -0.032 0.000 0.786 579 S HN 0.422 nan 8.310 nan 0.000 0.492 580 V N 1.895 121.804 119.914 -0.008 0.000 2.469 580 V HA -0.230 3.890 4.120 -0.000 0.000 0.251 580 V C 2.553 178.668 176.094 0.035 0.000 1.064 580 V CA 1.653 63.972 62.300 0.032 0.000 1.066 580 V CB -1.212 30.616 31.823 0.008 0.000 0.667 580 V HN 0.560 nan 8.190 nan 0.000 0.461 581 A N -0.133 122.687 122.820 -0.000 0.000 1.929 581 A HA 0.070 4.390 4.320 -0.000 0.000 0.216 581 A C 1.262 178.839 177.584 -0.010 0.000 1.176 581 A CA 0.570 52.606 52.037 -0.001 0.000 0.628 581 A CB -0.400 18.584 19.000 -0.026 0.000 0.816 581 A HN 0.521 nan 8.150 nan 0.000 0.444 582 I N 2.885 123.440 120.570 -0.025 0.000 2.494 582 I HA 0.107 4.277 4.170 -0.000 0.000 0.289 582 I C -2.029 174.083 176.117 -0.008 0.000 1.106 582 I CA -1.637 59.645 61.300 -0.030 0.000 1.369 582 I CB 0.411 38.383 38.000 -0.047 0.000 1.410 582 I HN 0.193 nan 8.210 nan 0.000 0.523 583 P HA 0.019 nan 4.420 nan 0.000 0.269 583 P C -0.722 176.583 177.300 0.010 0.000 1.209 583 P CA -0.287 62.819 63.100 0.011 0.000 0.776 583 P CB 0.487 32.193 31.700 0.011 0.000 0.876 584 N N 0.717 119.426 118.700 0.017 0.000 2.374 584 N HA 0.099 4.839 4.740 -0.000 0.000 0.241 584 N C 1.618 177.141 175.510 0.022 0.000 1.262 584 N CA 1.128 54.188 53.050 0.016 0.000 0.880 584 N CB -0.248 38.249 38.487 0.018 0.000 1.105 584 N HN 0.821 nan 8.380 nan 0.000 0.438 585 G N -0.364 108.452 108.800 0.027 0.000 2.317 585 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.227 585 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.227 585 G C 0.296 175.242 174.900 0.076 0.000 1.042 585 G CA -0.207 44.924 45.100 0.052 0.000 0.623 585 G HN 0.504 nan 8.290 nan 0.000 0.509 586 I N 1.725 122.321 120.570 0.044 0.000 3.045 586 I HA 0.289 4.459 4.170 -0.000 0.000 0.288 586 I C 0.694 176.851 176.117 0.065 0.000 1.238 586 I CA 0.594 61.923 61.300 0.049 0.000 1.396 586 I CB 0.296 38.300 38.000 0.006 0.000 1.355 586 I HN 0.293 nan 8.210 nan 0.000 0.601 587 H N 4.113 123.191 119.070 0.013 0.000 2.974 587 H HA 0.604 5.160 4.556 -0.000 0.000 0.366 587 H C -1.725 173.610 175.328 0.011 0.000 1.155 587 H CA -0.664 55.396 56.048 0.021 0.000 1.186 587 H CB 2.365 32.150 29.762 0.038 0.000 1.799 587 H HN 0.390 nan 8.280 nan 0.000 0.541 588 L N 3.393 124.701 121.223 0.143 0.000 2.710 588 L HA 0.241 4.581 4.340 -0.000 0.000 0.262 588 L C -1.357 175.564 176.870 0.085 0.000 0.940 588 L CA -0.055 54.841 54.840 0.094 0.000 0.944 588 L CB 1.766 43.826 42.059 0.002 0.000 1.348 588 L HN 0.593 nan 8.230 nan 0.000 0.425 589 Q N 3.680 123.564 119.800 0.140 0.000 2.316 589 Q HA 0.524 4.864 4.340 -0.000 0.000 0.264 589 Q C -0.149 175.964 176.000 0.189 0.000 0.987 589 Q CA -0.479 55.441 55.803 0.194 0.000 0.852 589 Q CB 3.047 31.942 28.738 0.262 0.000 1.287 589 Q HN 0.701 nan 8.270 nan 0.000 0.448 590 R N 1.984 122.613 120.500 0.216 0.000 1.850 590 R HA 0.255 4.595 4.340 -0.000 0.000 0.152 590 R C -0.787 175.759 176.300 0.409 0.000 2.001 590 R CA 0.173 56.387 56.100 0.189 0.000 1.578 590 R CB 0.621 30.923 30.300 0.003 0.000 1.261 590 R HN 0.606 nan 8.270 nan 0.000 0.478 591 F N 1.865 121.849 119.950 0.056 0.000 2.243 591 F HA -0.221 4.306 4.527 -0.000 0.000 0.461 591 F C 0.171 175.998 175.800 0.045 0.000 1.214 591 F CA 0.400 58.446 58.000 0.077 0.000 1.494 591 F CB -1.018 38.026 39.000 0.073 0.000 2.318 591 F HN 0.426 nan 8.300 nan 0.000 0.749 592 D N 1.765 122.243 120.400 0.129 0.000 1.992 592 D HA 0.027 4.667 4.640 -0.000 0.000 0.280 592 D C 1.483 177.839 176.300 0.094 0.000 1.060 592 D CA 0.976 55.028 54.000 0.087 0.000 0.877 592 D CB 0.175 40.999 40.800 0.040 0.000 1.010 592 D HN 0.653 nan 8.370 nan 0.000 0.385 593 E N 0.139 120.377 120.200 0.064 0.000 2.430 593 E HA 0.226 4.576 4.350 -0.000 0.000 0.253 593 E C 0.947 177.586 176.600 0.065 0.000 0.903 593 E CA -0.220 56.215 56.400 0.059 0.000 1.082 593 E CB -0.241 29.479 29.700 0.033 0.000 1.751 593 E HN 0.149 nan 8.360 nan 0.000 0.530 594 G N 1.838 110.661 108.800 0.039 0.000 2.778 594 G HA2 0.146 4.106 3.960 -0.000 0.000 0.287 594 G HA3 0.146 4.106 3.960 -0.000 0.000 0.287 594 G C -0.666 174.243 174.900 0.015 0.000 0.747 594 G CA 0.202 45.320 45.100 0.030 0.000 1.961 594 G HN -0.011 nan 8.290 nan 0.000 0.539 595 T N 0.748 115.324 114.554 0.036 0.000 2.841 595 T HA 0.623 4.973 4.350 -0.000 0.000 0.283 595 T C 0.370 175.048 174.700 -0.036 0.000 1.000 595 T CA -0.482 61.576 62.100 -0.070 0.000 0.977 595 T CB 1.834 70.600 68.868 -0.169 0.000 0.979 595 T HN 0.446 nan 8.240 nan 0.000 0.446 596 T N 0.141 114.596 114.554 -0.165 0.000 4.314 596 T HA 0.270 4.620 4.350 -0.000 0.000 0.262 596 T C 0.386 174.994 174.700 -0.153 0.000 0.939 596 T CA -0.709 61.362 62.100 -0.049 0.000 1.179 596 T CB -0.898 67.958 68.868 -0.021 0.000 0.973 596 T HN 0.458 nan 8.240 nan 0.000 0.525 597 L N -0.287 120.763 121.223 -0.289 0.000 4.111 597 L HA -0.190 4.150 4.340 -0.000 0.000 0.428 597 L C 0.880 177.464 176.870 -0.476 0.000 1.149 597 L CA 1.243 55.874 54.840 -0.347 0.000 0.981 597 L CB -1.596 40.440 42.059 -0.038 0.000 1.914 597 L HN 0.697 nan 8.230 nan 0.000 1.016 598 L N -1.225 119.688 121.223 -0.516 0.000 4.368 598 L HA 0.119 4.459 4.340 -0.000 0.000 0.430 598 L C 0.771 177.440 176.870 -0.335 0.000 1.098 598 L CA 0.509 55.121 54.840 -0.380 0.000 1.557 598 L CB 0.497 42.438 42.059 -0.197 0.000 1.638 598 L HN 0.318 nan 8.230 nan 0.000 0.622 599 S N 1.103 116.562 115.700 -0.401 0.000 4.424 599 S HA -0.112 4.358 4.470 -0.000 0.000 0.472 599 S C -1.127 173.403 174.600 -0.118 0.000 0.700 599 S CA -0.064 58.010 58.200 -0.209 0.000 1.394 599 S CB -0.702 62.434 63.200 -0.106 0.000 1.691 599 S HN 0.366 nan 8.310 nan 0.000 0.415 600 P HA -0.160 nan 4.420 nan 0.000 0.213 600 P C 0.913 178.201 177.300 -0.021 0.000 1.170 600 P CA 1.312 64.384 63.100 -0.047 0.000 0.898 600 P CB 0.021 31.701 31.700 -0.034 0.000 0.787 601 K N -0.273 120.120 120.400 -0.012 0.000 2.643 601 K HA -0.077 4.243 4.320 -0.000 0.000 0.193 601 K C 0.128 176.736 176.600 0.013 0.000 1.027 601 K CA 0.345 56.633 56.287 0.002 0.000 1.033 601 K CB -0.931 31.571 32.500 0.003 0.000 0.827 601 K HN 0.048 nan 8.250 nan 0.000 0.500 602 D N 1.187 121.598 120.400 0.018 0.000 2.735 602 D HA -0.172 4.468 4.640 -0.000 0.000 0.235 602 D C -0.385 175.954 176.300 0.064 0.000 1.175 602 D CA 0.494 54.530 54.000 0.060 0.000 0.683 602 D CB -0.924 39.902 40.800 0.044 0.000 1.008 602 D HN 0.227 nan 8.370 nan 0.000 0.416 603 N N -0.227 118.512 118.700 0.065 0.000 2.669 603 N HA 0.617 5.357 4.740 -0.000 0.000 0.306 603 N C 1.536 177.071 175.510 0.042 0.000 1.352 603 N CA 0.232 53.304 53.050 0.036 0.000 0.886 603 N CB -0.614 37.883 38.487 0.017 0.000 1.107 603 N HN 0.421 nan 8.380 nan 0.000 0.534 604 G N 0.601 109.396 108.800 -0.008 0.000 2.578 604 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.313 604 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.313 604 G C -0.192 174.586 174.900 -0.203 0.000 1.324 604 G CA 1.289 46.343 45.100 -0.076 0.000 0.955 604 G HN 0.732 nan 8.290 nan 0.000 0.541 605 M N -2.056 117.271 119.600 -0.455 0.000 2.462 605 M HA 0.587 5.067 4.480 -0.000 0.000 0.275 605 M C -2.283 173.602 176.300 -0.691 0.000 0.978 605 M CA -0.534 54.397 55.300 -0.614 0.000 0.852 605 M CB 1.279 33.712 32.600 -0.279 0.000 1.925 605 M HN 1.844 nan 8.290 nan 0.000 0.545 606 L N 6.493 127.170 121.223 -0.911 0.000 2.491 606 L HA 0.816 5.156 4.340 -0.000 0.000 0.267 606 L C -2.142 174.556 176.870 -0.286 0.000 0.971 606 L CA -0.180 54.373 54.840 -0.479 0.000 0.857 606 L CB 1.591 43.449 42.059 -0.336 0.000 1.226 606 L HN 0.781 nan 8.230 nan 0.000 0.408 607 I N 5.984 126.442 120.570 -0.188 0.000 2.433 607 I HA 0.508 4.678 4.170 -0.000 0.000 0.292 607 I C -0.573 175.378 176.117 -0.276 0.000 1.001 607 I CA -0.572 60.623 61.300 -0.175 0.000 1.119 607 I CB 1.886 39.804 38.000 -0.136 0.000 1.289 607 I HN 0.509 nan 8.210 nan 0.000 0.438 608 I N 4.665 125.079 120.570 -0.261 0.000 2.545 608 I HA 0.209 4.379 4.170 -0.000 0.000 0.292 608 I C 0.247 176.248 176.117 -0.194 0.000 1.040 608 I CA -0.303 60.757 61.300 -0.399 0.000 1.068 608 I CB 1.817 39.667 38.000 -0.250 0.000 1.251 608 I HN 0.674 nan 8.210 nan 0.000 0.424 609 D N 4.403 124.709 120.400 -0.156 0.000 3.044 609 D HA -0.224 4.416 4.640 -0.000 0.000 0.223 609 D C 0.845 177.127 176.300 -0.030 0.000 1.191 609 D CA 1.889 55.868 54.000 -0.034 0.000 0.881 609 D CB -0.553 40.248 40.800 0.001 0.000 1.115 609 D HN 1.169 nan 8.370 nan 0.000 0.408 610 G N -0.996 107.767 108.800 -0.061 0.000 2.203 610 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.231 610 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.231 610 G C -0.417 174.460 174.900 -0.039 0.000 1.058 610 G CA 0.215 45.289 45.100 -0.042 0.000 0.781 610 G HN 0.410 nan 8.290 nan 0.000 0.496 611 Q N -0.313 119.455 119.800 -0.053 0.000 2.274 611 Q HA 0.430 4.770 4.340 -0.000 0.000 0.268 611 Q C 0.438 176.403 176.000 -0.059 0.000 1.015 611 Q CA -0.754 55.026 55.803 -0.037 0.000 0.775 611 Q CB 1.798 30.529 28.738 -0.012 0.000 1.256 611 Q HN 0.451 nan 8.270 nan 0.000 0.442 612 I N 3.860 124.391 120.570 -0.065 0.000 2.671 612 I HA -0.079 4.091 4.170 -0.000 0.000 0.285 612 I C 1.366 177.453 176.117 -0.050 0.000 1.148 612 I CA 0.428 61.676 61.300 -0.087 0.000 1.386 612 I CB 0.349 38.289 38.000 -0.100 0.000 1.406 612 I HN 0.617 nan 8.210 nan 0.000 0.540 613 I N 7.371 127.917 120.570 -0.041 0.000 2.852 613 I HA 0.038 4.208 4.170 -0.000 0.000 0.264 613 I C 0.082 176.324 176.117 0.208 0.000 1.179 613 I CA 0.523 61.867 61.300 0.074 0.000 1.480 613 I CB 0.180 38.258 38.000 0.129 0.000 1.111 613 I HN 0.584 nan 8.210 nan 0.000 0.441 614 F N -0.545 119.365 119.950 -0.066 0.000 2.804 614 F HA 0.558 5.085 4.527 -0.000 0.000 0.320 614 F C -0.724 175.026 175.800 -0.084 0.000 1.135 614 F CA -0.708 57.247 58.000 -0.075 0.000 0.947 614 F CB 0.056 39.011 39.000 -0.076 0.000 1.260 614 F HN -0.059 nan 8.300 nan 0.000 0.447 615 G N 1.958 110.810 108.800 0.088 0.000 3.338 615 G HA2 0.325 4.285 3.960 -0.000 0.000 0.686 615 G HA3 0.325 4.285 3.960 -0.000 0.000 0.686 615 G C -0.966 173.879 174.900 -0.092 0.000 1.053 615 G CA -0.669 44.409 45.100 -0.037 0.000 0.852 615 G HN 1.691 nan 8.290 nan 0.000 0.545 616 V N 1.363 121.245 119.914 -0.053 0.000 2.975 616 V HA 0.197 4.317 4.120 -0.000 0.000 0.300 616 V C 1.351 177.387 176.094 -0.096 0.000 1.186 616 V CA 0.008 62.265 62.300 -0.071 0.000 1.311 616 V CB 1.042 32.835 31.823 -0.050 0.000 0.917 616 V HN 1.021 nan 8.190 nan 0.000 0.512 617 V N 4.886 124.735 119.914 -0.108 0.000 2.347 617 V HA 0.651 4.771 4.120 -0.000 0.000 0.280 617 V C -0.140 175.898 176.094 -0.093 0.000 1.021 617 V CA -0.268 61.967 62.300 -0.109 0.000 0.847 617 V CB 1.106 32.853 31.823 -0.126 0.000 0.990 617 V HN 1.211 nan 8.190 nan 0.000 0.444 618 E N 2.583 122.739 120.200 -0.074 0.000 2.445 618 E HA 0.419 4.769 4.350 -0.000 0.000 0.279 618 E C 0.507 177.081 176.600 -0.042 0.000 1.018 618 E CA -0.997 55.368 56.400 -0.059 0.000 0.816 618 E CB 0.992 30.662 29.700 -0.050 0.000 1.356 618 E HN 0.170 nan 8.360 nan 0.000 0.462 619 K N 0.431 120.812 120.400 -0.031 0.000 2.495 619 K HA -0.418 3.902 4.320 -0.000 0.000 0.209 619 K C 1.078 177.670 176.600 -0.014 0.000 0.969 619 K CA 2.790 59.067 56.287 -0.016 0.000 0.901 619 K CB -0.265 32.231 32.500 -0.007 0.000 1.111 619 K HN 0.530 nan 8.250 nan 0.000 0.506 620 K N -1.193 119.197 120.400 -0.016 0.000 2.365 620 K HA -0.026 4.294 4.320 -0.000 0.000 0.199 620 K C 1.619 178.209 176.600 -0.017 0.000 1.045 620 K CA 1.428 57.708 56.287 -0.011 0.000 0.962 620 K CB 0.253 32.748 32.500 -0.008 0.000 0.759 620 K HN 0.224 nan 8.250 nan 0.000 0.469 621 T N -0.627 113.907 114.554 -0.034 0.000 3.000 621 T HA 0.048 4.398 4.350 -0.000 0.000 0.248 621 T C 1.078 175.747 174.700 -0.051 0.000 1.034 621 T CA 0.196 62.268 62.100 -0.047 0.000 1.060 621 T CB 0.727 69.551 68.868 -0.074 0.000 0.983 621 T HN -0.017 nan 8.240 nan 0.000 0.482 622 V N 1.384 121.268 119.914 -0.051 0.000 3.111 622 V HA 0.588 4.708 4.120 -0.000 0.000 0.343 622 V C 0.517 176.592 176.094 -0.031 0.000 1.417 622 V CA -0.054 62.207 62.300 -0.064 0.000 1.142 622 V CB 0.083 31.854 31.823 -0.087 0.000 1.114 622 V HN 0.425 nan 8.190 nan 0.000 0.520 623 G N 0.153 108.949 108.800 -0.007 0.000 2.795 623 G HA2 0.401 4.361 3.960 -0.000 0.000 0.267 623 G HA3 0.401 4.361 3.960 -0.000 0.000 0.267 623 G C 0.389 175.307 174.900 0.030 0.000 1.362 623 G CA 0.275 45.388 45.100 0.021 0.000 1.048 623 G HN 0.592 nan 8.290 nan 0.000 0.547 624 S N -0.107 115.612 115.700 0.032 0.000 3.456 624 S HA 0.323 4.793 4.470 -0.000 0.000 0.229 624 S C 0.814 175.402 174.600 -0.020 0.000 1.416 624 S CA -0.003 58.205 58.200 0.013 0.000 1.197 624 S CB -0.906 62.298 63.200 0.008 0.000 1.201 624 S HN 0.844 nan 8.310 nan 0.000 0.479 625 S N 0.816 116.506 115.700 -0.017 0.000 2.681 625 S HA 0.375 4.845 4.470 -0.000 0.000 0.270 625 S C 0.947 175.513 174.600 -0.057 0.000 1.209 625 S CA -0.833 57.355 58.200 -0.019 0.000 0.988 625 S CB 0.512 63.713 63.200 0.002 0.000 1.006 625 S HN 0.373 nan 8.310 nan 0.000 0.558 626 N N 1.122 119.809 118.700 -0.023 0.000 2.053 626 N HA -0.028 4.712 4.740 -0.000 0.000 0.187 626 N C 1.540 177.139 175.510 0.148 0.000 1.089 626 N CA 1.427 54.471 53.050 -0.010 0.000 0.888 626 N CB -1.140 37.383 38.487 0.059 0.000 1.047 626 N HN 0.867 nan 8.380 nan 0.000 0.434 627 G N 0.599 109.507 108.800 0.180 0.000 3.337 627 G HA2 0.201 4.161 3.960 -0.000 0.000 0.226 627 G HA3 0.201 4.161 3.960 -0.000 0.000 0.226 627 G C 0.548 175.530 174.900 0.136 0.000 1.295 627 G CA 0.152 45.370 45.100 0.197 0.000 1.427 627 G HN 0.460 nan 8.290 nan 0.000 0.535 628 G N -0.905 107.977 108.800 0.138 0.000 2.634 628 G HA2 0.287 4.247 3.960 -0.000 0.000 0.255 628 G HA3 0.287 4.247 3.960 -0.000 0.000 0.255 628 G C 1.096 176.038 174.900 0.070 0.000 1.205 628 G CA -0.661 44.484 45.100 0.075 0.000 0.884 628 G HN 0.239 nan 8.290 nan 0.000 0.549 629 L N 0.250 121.479 121.223 0.010 0.000 1.970 629 L HA -0.138 4.202 4.340 -0.000 0.000 0.212 629 L C 2.845 179.707 176.870 -0.013 0.000 1.071 629 L CA 1.441 56.269 54.840 -0.021 0.000 0.751 629 L CB -0.323 41.694 42.059 -0.070 0.000 0.889 629 L HN 0.619 nan 8.230 nan 0.000 0.432 630 I N -1.019 119.532 120.570 -0.031 0.000 2.091 630 I HA -0.404 3.766 4.170 -0.000 0.000 0.239 630 I C 2.572 178.747 176.117 0.096 0.000 1.061 630 I CA 1.567 62.854 61.300 -0.022 0.000 1.317 630 I CB -0.903 37.094 38.000 -0.004 0.000 1.031 630 I HN 0.418 nan 8.210 nan 0.000 0.401 631 H N 1.117 120.189 119.070 0.004 0.000 2.368 631 H HA -0.195 4.361 4.556 -0.000 0.000 0.292 631 H C 2.017 177.352 175.328 0.013 0.000 1.117 631 H CA 2.243 58.300 56.048 0.015 0.000 1.231 631 H CB -0.518 29.254 29.762 0.018 0.000 1.359 631 H HN 0.130 nan 8.280 nan 0.000 0.490 632 V N -0.541 119.411 119.914 0.065 0.000 2.221 632 V HA -0.236 3.884 4.120 -0.000 0.000 0.240 632 V C 2.813 178.906 176.094 -0.002 0.000 1.041 632 V CA 1.581 63.870 62.300 -0.018 0.000 0.991 632 V CB -1.090 30.736 31.823 0.005 0.000 0.634 632 V HN 0.314 nan 8.190 nan 0.000 0.450 633 V N 0.605 120.523 119.914 0.006 0.000 2.257 633 V HA -0.405 3.715 4.120 -0.000 0.000 0.257 633 V C 2.484 178.590 176.094 0.020 0.000 1.077 633 V CA 2.906 65.209 62.300 0.005 0.000 1.063 633 V CB -1.773 30.038 31.823 -0.019 0.000 0.664 633 V HN 0.706 nan 8.190 nan 0.000 0.450 634 T N -0.015 114.562 114.554 0.038 0.000 2.529 634 T HA -0.252 4.098 4.350 -0.000 0.000 0.261 634 T C 2.021 176.739 174.700 0.031 0.000 1.110 634 T CA 1.759 63.891 62.100 0.052 0.000 1.192 634 T CB -0.393 68.526 68.868 0.085 0.000 0.864 634 T HN 0.298 nan 8.240 nan 0.000 0.407 635 R N 0.787 121.292 120.500 0.008 0.000 2.105 635 R HA -0.052 4.288 4.340 -0.000 0.000 0.239 635 R C 2.408 178.712 176.300 0.006 0.000 1.135 635 R CA 1.390 57.487 56.100 -0.004 0.000 0.967 635 R CB -0.468 29.790 30.300 -0.069 0.000 0.861 635 R HN 0.495 nan 8.270 nan 0.000 0.442 636 E N 0.524 120.725 120.200 0.003 0.000 2.012 636 E HA -0.054 4.296 4.350 -0.000 0.000 0.192 636 E C 1.786 178.403 176.600 0.027 0.000 0.977 636 E CA 1.032 57.442 56.400 0.017 0.000 0.832 636 E CB 0.081 29.794 29.700 0.023 0.000 0.790 636 E HN -0.117 nan 8.360 nan 0.000 0.466 637 K N -0.350 120.067 120.400 0.028 0.000 2.148 637 K HA 0.141 4.461 4.320 -0.000 0.000 0.204 637 K C 0.656 177.274 176.600 0.031 0.000 1.050 637 K CA 1.064 57.369 56.287 0.031 0.000 0.942 637 K CB 0.117 32.633 32.500 0.027 0.000 0.724 637 K HN 0.312 nan 8.250 nan 0.000 0.446 638 G N -0.270 108.549 108.800 0.033 0.000 2.359 638 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.314 638 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.314 638 G C -2.640 172.284 174.900 0.040 0.000 1.364 638 G CA -0.426 44.695 45.100 0.035 0.000 0.978 638 G HN -0.212 nan 8.290 nan 0.000 0.615 639 P HA -0.034 nan 4.420 nan 0.000 0.217 639 P C 1.286 178.616 177.300 0.050 0.000 1.154 639 P CA 1.096 64.221 63.100 0.041 0.000 0.841 639 P CB 0.282 31.996 31.700 0.023 0.000 0.790 640 Q N 0.081 119.904 119.800 0.039 0.000 2.016 640 Q HA -0.063 4.277 4.340 -0.000 0.000 0.200 640 Q C 2.438 178.470 176.000 0.054 0.000 0.978 640 Q CA 1.246 57.074 55.803 0.041 0.000 0.833 640 Q CB -1.201 27.553 28.738 0.028 0.000 0.895 640 Q HN 0.111 nan 8.270 nan 0.000 0.427 641 V N 0.660 120.601 119.914 0.045 0.000 2.380 641 V HA -0.299 3.821 4.120 -0.000 0.000 0.251 641 V C 2.487 178.613 176.094 0.053 0.000 1.063 641 V CA 1.782 64.108 62.300 0.042 0.000 1.055 641 V CB -0.732 31.110 31.823 0.032 0.000 0.657 641 V HN 0.495 nan 8.190 nan 0.000 0.455 642 C N -0.082 119.260 119.300 0.071 0.000 2.467 642 C HA 0.129 4.589 4.460 -0.000 0.000 0.279 642 C C 2.995 178.112 174.990 0.212 0.000 1.347 642 C CA 0.440 59.513 59.018 0.092 0.000 1.748 642 C CB -1.135 26.672 27.740 0.112 0.000 1.977 642 C HN 0.579 nan 8.230 nan 0.000 0.501 643 A N 0.324 123.270 122.820 0.209 0.000 1.855 643 A HA -0.167 4.153 4.320 -0.000 0.000 0.215 643 A C 2.278 180.012 177.584 0.250 0.000 1.191 643 A CA 1.848 54.045 52.037 0.267 0.000 0.613 643 A CB -0.775 18.301 19.000 0.126 0.000 0.829 643 A HN 0.683 nan 8.150 nan 0.000 0.442 644 K N -0.857 119.626 120.400 0.138 0.000 2.160 644 K HA -0.185 4.135 4.320 -0.000 0.000 0.206 644 K C 1.851 178.507 176.600 0.094 0.000 1.047 644 K CA 1.464 57.810 56.287 0.099 0.000 0.930 644 K CB -0.304 32.232 32.500 0.059 0.000 0.720 644 K HN 0.395 nan 8.250 nan 0.000 0.450 645 L N 0.430 121.693 121.223 0.066 0.000 2.017 645 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 645 L C 1.700 178.544 176.870 -0.044 0.000 1.073 645 L CA 1.705 56.524 54.840 -0.035 0.000 0.745 645 L CB -0.675 41.293 42.059 -0.152 0.000 0.894 645 L HN 0.096 nan 8.230 nan 0.000 0.432 646 F N 0.385 120.347 119.950 0.021 0.000 2.087 646 F HA -0.222 4.305 4.527 -0.000 0.000 0.299 646 F C 2.479 178.298 175.800 0.031 0.000 1.100 646 F CA 1.870 59.885 58.000 0.024 0.000 1.226 646 F CB -1.481 37.535 39.000 0.028 0.000 0.983 646 F HN 0.249 nan 8.300 nan 0.000 0.479 647 G N 0.209 109.145 108.800 0.227 0.000 2.628 647 G HA2 -0.334 3.625 3.960 -0.000 0.000 0.217 647 G HA3 -0.334 3.625 3.960 -0.000 0.000 0.217 647 G C 1.583 176.551 174.900 0.113 0.000 1.240 647 G CA 1.335 46.523 45.100 0.147 0.000 0.792 647 G HN 0.285 nan 8.290 nan 0.000 0.593 648 N N 1.069 119.818 118.700 0.081 0.000 2.002 648 N HA -0.155 4.585 4.740 -0.000 0.000 0.199 648 N C 2.280 177.821 175.510 0.052 0.000 1.060 648 N CA 1.494 54.584 53.050 0.066 0.000 0.867 648 N CB -0.863 37.648 38.487 0.040 0.000 1.069 648 N HN 0.371 nan 8.380 nan 0.000 0.430 649 I N 1.783 122.357 120.570 0.006 0.000 2.178 649 I HA -0.423 3.747 4.170 -0.000 0.000 0.243 649 I C 2.562 178.685 176.117 0.010 0.000 1.019 649 I CA 1.699 62.985 61.300 -0.023 0.000 1.294 649 I CB -0.470 37.487 38.000 -0.071 0.000 0.996 649 I HN 0.317 nan 8.210 nan 0.000 0.415 650 Q N 0.551 120.385 119.800 0.057 0.000 1.975 650 Q HA -0.253 4.087 4.340 -0.000 0.000 0.205 650 Q C 2.225 178.273 176.000 0.080 0.000 0.990 650 Q CA 1.796 57.647 55.803 0.079 0.000 0.845 650 Q CB -0.282 28.529 28.738 0.122 0.000 0.913 650 Q HN 0.501 nan 8.270 nan 0.000 0.420 651 K N 0.274 120.755 120.400 0.135 0.000 2.032 651 K HA -0.232 4.088 4.320 -0.000 0.000 0.218 651 K C 2.191 178.815 176.600 0.040 0.000 1.054 651 K CA 2.004 58.413 56.287 0.202 0.000 0.941 651 K CB -0.702 32.046 32.500 0.414 0.000 0.720 651 K HN 0.030 nan 8.250 nan 0.000 0.449 652 V N 1.419 121.368 119.914 0.059 0.000 2.221 652 V HA -0.304 3.816 4.120 -0.000 0.000 0.244 652 V C 2.429 178.523 176.094 0.000 0.000 1.043 652 V CA 2.096 64.404 62.300 0.012 0.000 0.996 652 V CB -0.682 31.134 31.823 -0.013 0.000 0.636 652 V HN 0.139 nan 8.190 nan 0.000 0.454 653 V N 0.929 120.825 119.914 -0.029 0.000 2.218 653 V HA -0.392 3.728 4.120 -0.000 0.000 0.251 653 V C 2.331 178.456 176.094 0.052 0.000 1.057 653 V CA 2.620 64.903 62.300 -0.029 0.000 1.022 653 V CB -1.212 30.581 31.823 -0.050 0.000 0.645 653 V HN 0.633 nan 8.190 nan 0.000 0.451 654 N N -0.121 118.594 118.700 0.024 0.000 2.073 654 N HA -0.276 4.464 4.740 -0.000 0.000 0.199 654 N C 1.723 177.204 175.510 -0.048 0.000 1.023 654 N CA 2.339 55.397 53.050 0.013 0.000 0.880 654 N CB -0.763 37.736 38.487 0.019 0.000 1.052 654 N HN 0.585 nan 8.380 nan 0.000 0.449 655 F N 0.181 119.923 119.950 -0.347 0.000 2.202 655 F HA -0.146 4.381 4.527 -0.000 0.000 0.301 655 F C 2.272 177.793 175.800 -0.465 0.000 1.082 655 F CA 1.087 58.739 58.000 -0.580 0.000 1.313 655 F CB -0.434 37.905 39.000 -1.101 0.000 1.024 655 F HN 0.183 nan 8.300 nan 0.000 0.495 656 W N 0.446 121.394 121.300 -0.587 0.000 2.452 656 W HA -0.099 4.561 4.660 -0.000 0.000 0.313 656 W C 2.159 178.436 176.519 -0.404 0.000 1.176 656 W CA 1.408 58.405 57.345 -0.580 0.000 1.350 656 W CB -0.742 28.534 29.460 -0.306 0.000 1.148 656 W HN 0.048 nan 8.180 nan 0.000 0.498 657 L N 1.315 122.664 121.223 0.209 0.000 2.189 657 L HA -0.174 4.166 4.340 -0.000 0.000 0.214 657 L C 2.227 179.019 176.870 -0.130 0.000 1.097 657 L CA 2.017 56.899 54.840 0.070 0.000 0.764 657 L CB -1.446 40.728 42.059 0.191 0.000 0.900 657 L HN 0.278 nan 8.230 nan 0.000 0.436 658 L N -0.894 120.227 121.223 -0.171 0.000 2.012 658 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 658 L C 2.358 179.223 176.870 -0.008 0.000 1.073 658 L CA 2.028 56.818 54.840 -0.084 0.000 0.748 658 L CB -0.763 41.248 42.059 -0.079 0.000 0.891 658 L HN 0.419 nan 8.230 nan 0.000 0.431 659 H N -1.687 117.135 119.070 -0.413 0.000 2.370 659 H HA 0.078 4.634 4.556 -0.000 0.000 0.304 659 H C 1.994 177.068 175.328 -0.424 0.000 1.055 659 H CA 1.123 56.932 56.048 -0.398 0.000 1.373 659 H CB -0.743 28.731 29.762 -0.481 0.000 1.423 659 H HN 0.360 nan 8.280 nan 0.000 0.533 660 N N 0.935 119.308 118.700 -0.545 0.000 2.588 660 N HA -0.063 4.677 4.740 -0.000 0.000 0.190 660 N C 0.428 175.773 175.510 -0.275 0.000 1.094 660 N CA 0.769 53.446 53.050 -0.621 0.000 0.921 660 N CB 0.010 37.668 38.487 -1.382 0.000 0.959 660 N HN 0.520 nan 8.380 nan 0.000 0.448 661 G N -0.555 108.152 108.800 -0.155 0.000 3.085 661 G HA2 -0.215 3.744 3.960 -0.000 0.000 0.455 661 G HA3 -0.215 3.744 3.960 -0.000 0.000 0.455 661 G C -0.658 174.318 174.900 0.128 0.000 1.592 661 G CA 0.192 45.279 45.100 -0.021 0.000 1.083 661 G HN 0.364 nan 8.290 nan 0.000 0.574 662 F N 0.526 120.452 119.950 -0.039 0.000 2.708 662 F HA 0.638 5.165 4.527 -0.000 0.000 0.309 662 F C -0.134 175.664 175.800 -0.003 0.000 1.120 662 F CA 0.369 58.363 58.000 -0.009 0.000 0.978 662 F CB 1.433 40.443 39.000 0.016 0.000 1.283 662 F HN 1.472 nan 8.300 nan 0.000 0.439 663 S N 2.195 117.245 115.700 -1.084 0.000 2.755 663 S HA 0.909 5.379 4.470 -0.000 0.000 0.286 663 S C -1.749 172.442 174.600 -0.683 0.000 1.207 663 S CA -0.089 57.718 58.200 -0.655 0.000 0.892 663 S CB 1.748 64.763 63.200 -0.308 0.000 1.240 663 S HN 0.904 nan 8.310 nan 0.000 0.525 664 T N 0.262 114.624 114.554 -0.321 0.000 3.047 664 T HA 0.692 5.042 4.350 -0.000 0.000 0.340 664 T C -0.737 173.896 174.700 -0.111 0.000 1.421 664 T CA -0.168 61.813 62.100 -0.198 0.000 1.090 664 T CB 1.307 70.100 68.868 -0.125 0.000 1.292 664 T HN 1.307 nan 8.240 nan 0.000 0.480 665 G N 1.272 110.025 108.800 -0.078 0.000 2.733 665 G HA2 0.502 4.462 3.960 -0.000 0.000 0.297 665 G HA3 0.502 4.462 3.960 -0.000 0.000 0.297 665 G C 0.701 175.583 174.900 -0.030 0.000 1.452 665 G CA -0.597 44.473 45.100 -0.050 0.000 0.940 665 G HN 0.781 nan 8.290 nan 0.000 0.547 666 I N 0.625 121.185 120.570 -0.017 0.000 2.539 666 I HA -0.335 3.835 4.170 -0.000 0.000 0.242 666 I C 2.406 178.522 176.117 -0.001 0.000 0.926 666 I CA 2.424 63.721 61.300 -0.005 0.000 1.279 666 I CB -1.422 36.576 38.000 -0.003 0.000 0.975 666 I HN 0.704 nan 8.210 nan 0.000 0.420 667 G N -0.021 108.774 108.800 -0.008 0.000 2.462 667 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.220 667 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.220 667 G C 1.295 176.197 174.900 0.003 0.000 1.121 667 G CA 1.082 46.179 45.100 -0.004 0.000 0.758 667 G HN 0.571 nan 8.290 nan 0.000 0.559 668 D N 0.060 120.459 120.400 -0.001 0.000 2.312 668 D HA -0.066 4.574 4.640 -0.000 0.000 0.211 668 D C 2.551 178.866 176.300 0.025 0.000 0.964 668 D CA 1.500 55.507 54.000 0.011 0.000 0.877 668 D CB 0.013 40.815 40.800 0.003 0.000 0.924 668 D HN 0.519 nan 8.370 nan 0.000 0.515 669 T N -1.529 113.039 114.554 0.022 0.000 3.086 669 T HA 0.207 4.557 4.350 -0.000 0.000 0.250 669 T C 0.939 175.659 174.700 0.032 0.000 1.074 669 T CA -0.269 61.850 62.100 0.033 0.000 0.988 669 T CB -0.127 68.762 68.868 0.034 0.000 0.988 669 T HN 0.002 nan 8.240 nan 0.000 0.530 670 I N 1.423 122.008 120.570 0.026 0.000 2.382 670 I HA 0.766 4.936 4.170 -0.000 0.000 0.286 670 I C 0.168 176.301 176.117 0.027 0.000 1.002 670 I CA -1.471 59.844 61.300 0.025 0.000 1.135 670 I CB 1.452 39.463 38.000 0.018 0.000 1.288 670 I HN 0.048 nan 8.210 nan 0.000 0.448 671 A N 3.647 126.485 122.820 0.030 0.000 2.269 671 A HA 0.437 4.757 4.320 -0.000 0.000 0.327 671 A C -0.384 177.216 177.584 0.027 0.000 1.112 671 A CA -0.568 51.488 52.037 0.032 0.000 0.865 671 A CB 0.653 19.677 19.000 0.040 0.000 1.227 671 A HN 0.740 nan 8.150 nan 0.000 0.498 672 D N 0.531 120.947 120.400 0.026 0.000 3.139 672 D HA 0.072 4.712 4.640 -0.000 0.000 0.212 672 D C 1.674 177.987 176.300 0.021 0.000 1.084 672 D CA 1.621 55.635 54.000 0.023 0.000 0.777 672 D CB 0.444 41.258 40.800 0.023 0.000 1.156 672 D HN 0.638 nan 8.370 nan 0.000 0.537 673 G N 5.365 114.176 108.800 0.018 0.000 2.649 673 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.220 673 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.220 673 G C -0.596 174.315 174.900 0.018 0.000 1.189 673 G CA 0.967 46.077 45.100 0.017 0.000 0.777 673 G HN 0.576 nan 8.290 nan 0.000 0.602 674 P HA -0.087 nan 4.420 nan 0.000 0.215 674 P C 1.716 179.029 177.300 0.022 0.000 1.153 674 P CA 1.907 65.018 63.100 0.018 0.000 0.853 674 P CB -0.462 31.249 31.700 0.017 0.000 0.788 675 T N -0.398 114.170 114.554 0.024 0.000 2.897 675 T HA -0.106 4.244 4.350 -0.000 0.000 0.271 675 T C 1.912 176.631 174.700 0.031 0.000 1.084 675 T CA 1.112 63.230 62.100 0.030 0.000 1.123 675 T CB -0.404 68.484 68.868 0.033 0.000 0.865 675 T HN 0.016 nan 8.240 nan 0.000 0.496 676 M N 0.577 120.194 119.600 0.027 0.000 2.073 676 M HA 0.061 4.541 4.480 -0.000 0.000 0.259 676 M C 2.498 178.814 176.300 0.026 0.000 1.079 676 M CA 1.363 56.678 55.300 0.026 0.000 1.131 676 M CB -0.906 31.707 32.600 0.022 0.000 1.316 676 M HN 0.107 nan 8.290 nan 0.000 0.415 677 R N 0.543 121.056 120.500 0.022 0.000 2.113 677 R HA -0.236 4.104 4.340 -0.000 0.000 0.244 677 R C 2.018 178.332 176.300 0.023 0.000 1.142 677 R CA 2.232 58.345 56.100 0.021 0.000 0.953 677 R CB -0.389 29.922 30.300 0.018 0.000 0.860 677 R HN 0.462 nan 8.270 nan 0.000 0.438 678 E N 0.118 120.333 120.200 0.024 0.000 2.171 678 E HA -0.223 4.127 4.350 -0.000 0.000 0.197 678 E C 1.834 178.452 176.600 0.030 0.000 0.997 678 E CA 1.483 57.898 56.400 0.025 0.000 0.810 678 E CB -0.051 29.665 29.700 0.026 0.000 0.738 678 E HN 0.469 nan 8.360 nan 0.000 0.467 679 I N 0.042 120.633 120.570 0.034 0.000 2.270 679 I HA -0.184 3.986 4.170 -0.000 0.000 0.239 679 I C 2.337 178.479 176.117 0.042 0.000 1.080 679 I CA 1.183 62.508 61.300 0.042 0.000 1.383 679 I CB -0.513 37.513 38.000 0.044 0.000 1.097 679 I HN 0.110 nan 8.210 nan 0.000 0.420 680 T N 1.237 115.813 114.554 0.037 0.000 2.714 680 T HA -0.266 4.084 4.350 -0.000 0.000 0.268 680 T C 1.532 176.254 174.700 0.036 0.000 1.036 680 T CA 2.117 64.241 62.100 0.039 0.000 1.148 680 T CB -0.509 68.378 68.868 0.031 0.000 0.856 680 T HN 0.616 nan 8.240 nan 0.000 0.462 681 E N 0.336 120.552 120.200 0.028 0.000 2.250 681 E HA -0.016 4.334 4.350 -0.000 0.000 0.192 681 E C 1.924 178.534 176.600 0.017 0.000 0.986 681 E CA 0.884 57.295 56.400 0.019 0.000 0.849 681 E CB -0.567 29.141 29.700 0.014 0.000 0.797 681 E HN 0.281 nan 8.360 nan 0.000 0.482 682 T N 1.441 116.010 114.554 0.026 0.000 2.929 682 T HA -0.018 4.332 4.350 -0.000 0.000 0.271 682 T C 1.784 176.501 174.700 0.029 0.000 1.085 682 T CA 0.927 63.043 62.100 0.027 0.000 1.125 682 T CB -0.111 68.781 68.868 0.041 0.000 0.874 682 T HN 0.192 nan 8.240 nan 0.000 0.494 683 I N 0.915 121.510 120.570 0.043 0.000 2.270 683 I HA 0.024 4.194 4.170 -0.000 0.000 0.239 683 I C 2.948 179.070 176.117 0.007 0.000 1.080 683 I CA 0.741 62.074 61.300 0.055 0.000 1.383 683 I CB -0.551 37.517 38.000 0.113 0.000 1.097 683 I HN 0.121 nan 8.210 nan 0.000 0.420 684 A N 1.641 124.470 122.820 0.014 0.000 1.917 684 A HA -0.287 4.032 4.320 -0.000 0.000 0.219 684 A C 2.199 179.765 177.584 -0.031 0.000 1.182 684 A CA 2.319 54.353 52.037 -0.005 0.000 0.633 684 A CB -0.925 18.079 19.000 0.007 0.000 0.819 684 A HN 0.670 nan 8.150 nan 0.000 0.448 685 E N -0.021 120.161 120.200 -0.030 0.000 2.160 685 E HA -0.041 4.309 4.350 -0.000 0.000 0.195 685 E C 1.759 178.303 176.600 -0.094 0.000 0.991 685 E CA 1.352 57.722 56.400 -0.051 0.000 0.810 685 E CB -0.414 29.263 29.700 -0.038 0.000 0.742 685 E HN 0.473 nan 8.360 nan 0.000 0.466 686 A N 0.781 123.545 122.820 -0.092 0.000 2.119 686 A HA -0.002 4.318 4.320 -0.000 0.000 0.216 686 A C 1.964 179.452 177.584 -0.160 0.000 1.152 686 A CA 0.828 52.779 52.037 -0.144 0.000 0.708 686 A CB -0.177 18.767 19.000 -0.092 0.000 0.805 686 A HN 0.140 nan 8.150 nan 0.000 0.460 687 K N -0.079 120.250 120.400 -0.118 0.000 2.062 687 K HA -0.029 4.291 4.320 -0.000 0.000 0.205 687 K C 1.777 178.329 176.600 -0.080 0.000 1.051 687 K CA 1.259 57.484 56.287 -0.103 0.000 0.941 687 K CB -0.084 32.377 32.500 -0.065 0.000 0.719 687 K HN 0.337 nan 8.250 nan 0.000 0.440 688 K N 0.796 121.148 120.400 -0.080 0.000 2.296 688 K HA -0.082 4.238 4.320 -0.000 0.000 0.200 688 K C 1.845 178.380 176.600 -0.109 0.000 1.048 688 K CA 0.696 56.941 56.287 -0.069 0.000 0.966 688 K CB 0.138 32.605 32.500 -0.055 0.000 0.754 688 K HN -0.013 nan 8.250 nan 0.000 0.466 689 K N 0.718 120.998 120.400 -0.201 0.000 2.442 689 K HA -0.061 4.259 4.320 -0.000 0.000 0.198 689 K C 1.493 177.903 176.600 -0.315 0.000 1.042 689 K CA 0.498 56.566 56.287 -0.365 0.000 0.958 689 K CB 0.352 32.467 32.500 -0.642 0.000 0.766 689 K HN -0.073 nan 8.250 nan 0.000 0.474 690 V N 0.463 120.303 119.914 -0.123 0.000 2.484 690 V HA -0.147 3.973 4.120 -0.000 0.000 0.236 690 V C 1.897 178.058 176.094 0.112 0.000 1.062 690 V CA 0.842 63.191 62.300 0.082 0.000 1.081 690 V CB -0.351 31.517 31.823 0.074 0.000 0.751 690 V HN 0.294 nan 8.190 nan 0.000 0.484 691 L N 1.142 122.397 121.223 0.054 0.000 2.030 691 L HA -0.316 4.024 4.340 -0.000 0.000 0.222 691 L C 1.952 178.850 176.870 0.047 0.000 1.082 691 L CA 2.629 57.501 54.840 0.052 0.000 0.785 691 L CB -1.156 40.914 42.059 0.017 0.000 0.895 691 L HN 0.380 nan 8.230 nan 0.000 0.439 692 D N -0.621 119.795 120.400 0.026 0.000 2.126 692 D HA -0.195 4.445 4.640 -0.000 0.000 0.190 692 D C 2.204 178.533 176.300 0.049 0.000 1.001 692 D CA 2.036 56.049 54.000 0.022 0.000 0.841 692 D CB -0.448 40.354 40.800 0.003 0.000 0.949 692 D HN 0.360 nan 8.370 nan 0.000 0.446 693 V N 0.507 120.489 119.914 0.114 0.000 2.809 693 V HA -0.160 3.960 4.120 -0.000 0.000 0.256 693 V C 2.269 178.416 176.094 0.088 0.000 1.080 693 V CA 1.655 64.056 62.300 0.169 0.000 1.102 693 V CB -0.735 31.299 31.823 0.352 0.000 0.705 693 V HN 0.220 nan 8.190 nan 0.000 0.475 694 T N -0.233 114.375 114.554 0.091 0.000 2.732 694 T HA -0.149 4.201 4.350 -0.000 0.000 0.261 694 T C 1.949 176.549 174.700 -0.167 0.000 1.040 694 T CA 1.274 63.333 62.100 -0.069 0.000 1.145 694 T CB -0.149 68.768 68.868 0.082 0.000 0.866 694 T HN 0.432 nan 8.240 nan 0.000 0.427 695 K N 0.900 121.258 120.400 -0.071 0.000 2.103 695 K HA -0.029 4.291 4.320 -0.000 0.000 0.204 695 K C 2.316 178.866 176.600 -0.083 0.000 1.052 695 K CA 0.847 57.089 56.287 -0.075 0.000 0.945 695 K CB -0.097 32.382 32.500 -0.036 0.000 0.722 695 K HN 0.415 nan 8.250 nan 0.000 0.443 696 E N 0.284 120.449 120.200 -0.058 0.000 2.510 696 E HA -0.147 4.203 4.350 -0.000 0.000 0.202 696 E C 0.985 177.534 176.600 -0.085 0.000 1.072 696 E CA 0.620 56.994 56.400 -0.043 0.000 0.883 696 E CB 0.160 29.862 29.700 0.003 0.000 0.818 696 E HN 0.307 nan 8.360 nan 0.000 0.548 697 A N -0.231 122.484 122.820 -0.174 0.000 2.358 697 A HA 0.130 4.450 4.320 -0.000 0.000 0.223 697 A C 1.499 178.936 177.584 -0.244 0.000 1.218 697 A CA -0.298 51.591 52.037 -0.246 0.000 0.942 697 A CB 0.363 19.074 19.000 -0.481 0.000 1.005 697 A HN 0.163 nan 8.150 nan 0.000 0.514 698 Q N -0.478 119.194 119.800 -0.213 0.000 2.365 698 Q HA 0.260 4.600 4.340 -0.000 0.000 0.203 698 Q C 1.197 177.132 176.000 -0.108 0.000 0.929 698 Q CA 0.558 56.258 55.803 -0.171 0.000 0.948 698 Q CB 0.205 28.854 28.738 -0.148 0.000 1.043 698 Q HN 0.606 nan 8.270 nan 0.000 0.505 699 A N 0.577 123.341 122.820 -0.094 0.000 2.508 699 A HA 0.119 4.439 4.320 -0.000 0.000 0.250 699 A C 0.558 178.110 177.584 -0.053 0.000 1.208 699 A CA 0.052 52.053 52.037 -0.061 0.000 0.960 699 A CB 0.296 19.268 19.000 -0.046 0.000 1.099 699 A HN 0.380 nan 8.150 nan 0.000 0.542 700 N N -0.812 117.847 118.700 -0.067 0.000 2.776 700 N HA -0.136 4.604 4.740 -0.000 0.000 0.249 700 N C -0.044 175.445 175.510 -0.034 0.000 1.111 700 N CA 1.033 54.053 53.050 -0.051 0.000 0.711 700 N CB -2.078 36.386 38.487 -0.038 0.000 1.065 700 N HN 0.444 nan 8.380 nan 0.000 0.556 701 L N -0.673 120.529 121.223 -0.036 0.000 2.791 701 L HA 0.335 4.675 4.340 -0.000 0.000 0.239 701 L C 0.461 177.326 176.870 -0.008 0.000 1.203 701 L CA -0.059 54.770 54.840 -0.018 0.000 1.002 701 L CB 0.067 42.117 42.059 -0.016 0.000 1.295 701 L HN 0.183 nan 8.230 nan 0.000 0.504 702 L N 0.399 121.616 121.223 -0.010 0.000 2.313 702 L HA 0.378 4.718 4.340 -0.000 0.000 0.283 702 L C 0.098 176.978 176.870 0.016 0.000 1.013 702 L CA -0.302 54.543 54.840 0.008 0.000 0.816 702 L CB 2.283 44.348 42.059 0.010 0.000 1.236 702 L HN 0.018 nan 8.230 nan 0.000 0.419 703 T N 3.366 117.935 114.554 0.025 0.000 2.784 703 T HA 0.149 4.499 4.350 -0.000 0.000 0.291 703 T C 0.486 175.207 174.700 0.036 0.000 0.942 703 T CA -0.373 61.743 62.100 0.027 0.000 1.161 703 T CB 0.668 69.553 68.868 0.029 0.000 0.885 703 T HN 0.635 nan 8.240 nan 0.000 0.534 704 A N 5.423 128.264 122.820 0.034 0.000 2.473 704 A HA 0.191 4.511 4.320 -0.000 0.000 0.282 704 A C 0.693 178.311 177.584 0.057 0.000 1.163 704 A CA -0.308 51.754 52.037 0.042 0.000 0.827 704 A CB -0.204 18.817 19.000 0.036 0.000 1.098 704 A HN 0.790 nan 8.150 nan 0.000 0.515 705 K N 1.938 122.373 120.400 0.057 0.000 2.436 705 K HA 0.017 4.337 4.320 -0.000 0.000 0.275 705 K C 0.106 176.764 176.600 0.098 0.000 0.999 705 K CA -0.128 56.204 56.287 0.074 0.000 0.980 705 K CB 0.309 32.844 32.500 0.058 0.000 0.919 705 K HN 0.811 nan 8.250 nan 0.000 0.484 706 H N 0.534 119.613 119.070 0.014 0.000 3.034 706 H HA 0.039 4.595 4.556 -0.000 0.000 0.324 706 H C 1.125 176.461 175.328 0.013 0.000 1.015 706 H CA 1.636 57.690 56.048 0.010 0.000 1.429 706 H CB 0.204 29.969 29.762 0.006 0.000 1.429 706 H HN 0.811 nan 8.280 nan 0.000 0.585 707 G N 4.083 112.578 108.800 -0.508 0.000 2.198 707 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.260 707 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.260 707 G C -0.141 174.674 174.900 -0.140 0.000 1.025 707 G CA 0.461 45.343 45.100 -0.363 0.000 0.769 707 G HN 0.647 nan 8.290 nan 0.000 0.507 708 M N 0.102 119.655 119.600 -0.080 0.000 2.322 708 M HA 0.257 4.736 4.480 -0.000 0.000 0.285 708 M C 0.191 176.489 176.300 -0.003 0.000 1.119 708 M CA -0.660 54.622 55.300 -0.029 0.000 0.953 708 M CB 2.073 34.668 32.600 -0.009 0.000 1.701 708 M HN 0.044 nan 8.290 nan 0.000 0.479 709 T N 2.220 116.778 114.554 0.006 0.000 2.908 709 T HA 0.054 4.404 4.350 -0.000 0.000 0.325 709 T C 1.395 176.119 174.700 0.039 0.000 1.092 709 T CA -0.097 62.016 62.100 0.022 0.000 1.125 709 T CB 0.450 69.335 68.868 0.030 0.000 1.016 709 T HN 0.444 nan 8.240 nan 0.000 0.550 710 L N 1.770 123.017 121.223 0.040 0.000 2.127 710 L HA -0.067 4.273 4.340 -0.000 0.000 0.211 710 L C 2.606 179.531 176.870 0.090 0.000 1.089 710 L CA 1.706 56.575 54.840 0.048 0.000 0.757 710 L CB -0.675 41.397 42.059 0.021 0.000 0.899 710 L HN 0.498 nan 8.230 nan 0.000 0.434 711 R N -0.285 120.273 120.500 0.097 0.000 2.055 711 R HA -0.086 4.254 4.340 -0.000 0.000 0.228 711 R C 2.273 178.669 176.300 0.160 0.000 1.143 711 R CA 1.175 57.375 56.100 0.167 0.000 0.945 711 R CB -0.237 30.149 30.300 0.142 0.000 0.841 711 R HN 0.351 nan 8.270 nan 0.000 0.429 712 E N -0.282 119.968 120.200 0.085 0.000 2.114 712 E HA -0.236 4.114 4.350 -0.000 0.000 0.199 712 E C 1.955 178.577 176.600 0.037 0.000 1.008 712 E CA 1.770 58.195 56.400 0.041 0.000 0.810 712 E CB -0.086 29.624 29.700 0.017 0.000 0.739 712 E HN 0.253 nan 8.360 nan 0.000 0.456 713 S N 0.455 116.193 115.700 0.065 0.000 2.383 713 S HA -0.131 4.339 4.470 -0.000 0.000 0.227 713 S C 1.554 176.217 174.600 0.105 0.000 1.026 713 S CA 0.765 59.002 58.200 0.062 0.000 0.981 713 S CB -0.285 62.955 63.200 0.067 0.000 0.818 713 S HN 0.298 nan 8.310 nan 0.000 0.472 714 F N 3.007 122.957 119.950 -0.001 0.000 2.102 714 F HA -0.091 4.436 4.527 -0.000 0.000 0.298 714 F C 2.195 177.998 175.800 0.005 0.000 1.105 714 F CA 1.415 59.419 58.000 0.007 0.000 1.239 714 F CB -0.646 38.367 39.000 0.022 0.000 0.991 714 F HN 0.083 nan 8.300 nan 0.000 0.474 715 E N 0.213 120.226 120.200 -0.311 0.000 2.031 715 E HA -0.267 4.083 4.350 -0.000 0.000 0.193 715 E C 2.101 178.529 176.600 -0.286 0.000 0.994 715 E CA 1.420 57.562 56.400 -0.431 0.000 0.800 715 E CB -0.975 28.590 29.700 -0.225 0.000 0.752 715 E HN 0.490 nan 8.360 nan 0.000 0.447 716 D N 0.852 121.151 120.400 -0.167 0.000 2.200 716 D HA -0.208 4.432 4.640 -0.000 0.000 0.192 716 D C 1.462 177.637 176.300 -0.208 0.000 1.008 716 D CA 1.111 55.026 54.000 -0.142 0.000 0.872 716 D CB 0.014 40.763 40.800 -0.086 0.000 0.923 716 D HN 0.110 nan 8.370 nan 0.000 0.447 717 N N -0.145 118.403 118.700 -0.253 0.000 2.173 717 N HA -0.096 4.644 4.740 -0.000 0.000 0.184 717 N C 2.219 177.408 175.510 -0.535 0.000 1.025 717 N CA 0.671 53.455 53.050 -0.444 0.000 0.852 717 N CB -0.536 37.733 38.487 -0.364 0.000 0.998 717 N HN 0.129 nan 8.380 nan 0.000 0.427 718 V N 1.752 121.466 119.914 -0.333 0.000 2.220 718 V HA -0.249 3.871 4.120 -0.000 0.000 0.250 718 V C 2.591 178.615 176.094 -0.115 0.000 1.056 718 V CA 1.626 63.820 62.300 -0.176 0.000 1.016 718 V CB -0.908 30.694 31.823 -0.368 0.000 0.639 718 V HN 0.034 nan 8.190 nan 0.000 0.446 719 V N -0.337 119.480 119.914 -0.162 0.000 2.231 719 V HA -0.356 3.764 4.120 -0.000 0.000 0.248 719 V C 2.609 178.673 176.094 -0.051 0.000 1.054 719 V CA 2.641 64.891 62.300 -0.085 0.000 1.015 719 V CB -0.807 30.961 31.823 -0.091 0.000 0.638 719 V HN 0.466 nan 8.190 nan 0.000 0.444 720 R N -1.182 119.244 120.500 -0.124 0.000 2.153 720 R HA -0.222 4.118 4.340 -0.000 0.000 0.252 720 R C 2.268 178.569 176.300 0.002 0.000 1.158 720 R CA 2.188 58.223 56.100 -0.107 0.000 0.975 720 R CB -0.376 29.788 30.300 -0.227 0.000 0.871 720 R HN 0.567 nan 8.270 nan 0.000 0.450 721 F N 0.168 120.101 119.950 -0.027 0.000 2.039 721 F HA -0.229 4.298 4.527 -0.000 0.000 0.294 721 F C 2.350 178.127 175.800 -0.038 0.000 1.130 721 F CA 0.654 58.636 58.000 -0.029 0.000 1.189 721 F CB -0.328 38.645 39.000 -0.045 0.000 0.983 721 F HN -0.025 nan 8.300 nan 0.000 0.471 722 L N 0.237 121.541 121.223 0.134 0.000 1.997 722 L HA -0.337 4.003 4.340 -0.000 0.000 0.216 722 L C 2.126 179.084 176.870 0.147 0.000 1.074 722 L CA 1.470 56.308 54.840 -0.004 0.000 0.763 722 L CB -0.928 41.041 42.059 -0.149 0.000 0.890 722 L HN 0.161 nan 8.230 nan 0.000 0.434 723 N N -0.284 118.505 118.700 0.149 0.000 2.084 723 N HA -0.215 4.525 4.740 -0.000 0.000 0.190 723 N C 1.831 177.421 175.510 0.133 0.000 1.030 723 N CA 1.259 54.396 53.050 0.144 0.000 0.849 723 N CB -0.303 38.242 38.487 0.097 0.000 1.012 723 N HN 0.372 nan 8.380 nan 0.000 0.423 724 E N 0.285 120.563 120.200 0.131 0.000 2.187 724 E HA -0.204 4.146 4.350 -0.000 0.000 0.199 724 E C 1.632 178.310 176.600 0.130 0.000 1.004 724 E CA 1.248 57.728 56.400 0.134 0.000 0.813 724 E CB 0.024 29.827 29.700 0.172 0.000 0.736 724 E HN 0.400 nan 8.360 nan 0.000 0.468 725 A N 0.824 123.723 122.820 0.131 0.000 1.835 725 A HA -0.116 4.204 4.320 -0.000 0.000 0.213 725 A C 2.062 179.731 177.584 0.141 0.000 1.210 725 A CA 1.198 53.306 52.037 0.119 0.000 0.605 725 A CB -0.543 18.515 19.000 0.096 0.000 0.860 725 A HN 0.157 nan 8.150 nan 0.000 0.447 726 R N -0.037 120.571 120.500 0.180 0.000 2.153 726 R HA -0.274 4.066 4.340 -0.000 0.000 0.252 726 R C 1.440 177.793 176.300 0.089 0.000 1.158 726 R CA 2.449 58.635 56.100 0.143 0.000 0.975 726 R CB -0.533 29.849 30.300 0.137 0.000 0.871 726 R HN 0.600 nan 8.270 nan 0.000 0.450 727 D N -0.444 120.026 120.400 0.116 0.000 2.091 727 D HA -0.151 4.489 4.640 -0.000 0.000 0.199 727 D C 1.804 178.248 176.300 0.239 0.000 0.980 727 D CA 1.741 55.840 54.000 0.165 0.000 0.831 727 D CB -0.011 40.906 40.800 0.194 0.000 0.987 727 D HN 0.390 nan 8.370 nan 0.000 0.460 728 K N 0.765 121.270 120.400 0.175 0.000 2.362 728 K HA 0.091 4.411 4.320 -0.000 0.000 0.200 728 K C 1.859 178.543 176.600 0.141 0.000 1.046 728 K CA 0.998 57.377 56.287 0.153 0.000 0.952 728 K CB 0.052 32.616 32.500 0.106 0.000 0.753 728 K HN 0.057 nan 8.250 nan 0.000 0.466 729 A N 1.648 124.546 122.820 0.129 0.000 1.930 729 A HA 0.004 4.324 4.320 -0.000 0.000 0.217 729 A C 2.419 180.076 177.584 0.121 0.000 1.175 729 A CA 1.569 53.669 52.037 0.104 0.000 0.627 729 A CB -1.128 17.926 19.000 0.090 0.000 0.815 729 A HN 0.537 nan 8.150 nan 0.000 0.443 730 G N -0.723 108.174 108.800 0.162 0.000 2.404 730 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.214 730 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.214 730 G C 1.580 176.702 174.900 0.370 0.000 1.189 730 G CA 0.626 45.865 45.100 0.232 0.000 0.789 730 G HN 0.506 nan 8.290 nan 0.000 0.533 731 R N -0.170 120.574 120.500 0.406 0.000 2.407 731 R HA -0.043 4.297 4.340 -0.000 0.000 0.241 731 R C 2.219 178.579 176.300 0.100 0.000 1.180 731 R CA 0.560 56.754 56.100 0.157 0.000 1.048 731 R CB -0.275 30.067 30.300 0.071 0.000 0.847 731 R HN 0.390 nan 8.270 nan 0.000 0.488 732 L N -1.568 119.730 121.223 0.124 0.000 2.189 732 L HA 0.054 4.394 4.340 -0.000 0.000 0.199 732 L C 2.524 179.443 176.870 0.083 0.000 1.074 732 L CA 0.789 55.678 54.840 0.083 0.000 0.783 732 L CB -0.511 41.593 42.059 0.075 0.000 0.955 732 L HN 0.143 nan 8.230 nan 0.000 0.460 733 A N 0.154 123.036 122.820 0.104 0.000 1.898 733 A HA -0.238 4.082 4.320 -0.000 0.000 0.216 733 A C 2.167 179.814 177.584 0.106 0.000 1.181 733 A CA 1.629 53.722 52.037 0.093 0.000 0.620 733 A CB -0.558 18.498 19.000 0.092 0.000 0.819 733 A HN 0.477 nan 8.150 nan 0.000 0.442 734 E N -0.177 120.116 120.200 0.155 0.000 2.273 734 E HA -0.149 4.201 4.350 -0.000 0.000 0.198 734 E C 1.265 177.903 176.600 0.063 0.000 1.002 734 E CA 1.544 58.029 56.400 0.142 0.000 0.828 734 E CB -0.040 29.757 29.700 0.162 0.000 0.747 734 E HN 0.378 nan 8.360 nan 0.000 0.491 735 V N 0.836 120.780 119.914 0.049 0.000 3.263 735 V HA -0.035 4.085 4.120 -0.000 0.000 0.248 735 V C 1.989 178.104 176.094 0.034 0.000 1.145 735 V CA 0.820 63.136 62.300 0.027 0.000 1.107 735 V CB -0.043 31.788 31.823 0.014 0.000 0.797 735 V HN 0.329 nan 8.190 nan 0.000 0.467 736 N N 0.638 119.364 118.700 0.043 0.000 2.461 736 N HA 0.045 4.785 4.740 -0.000 0.000 0.188 736 N C 0.395 175.930 175.510 0.041 0.000 1.134 736 N CA 0.205 53.279 53.050 0.039 0.000 0.878 736 N CB 0.172 38.683 38.487 0.040 0.000 0.972 736 N HN 0.379 nan 8.380 nan 0.000 0.456 737 L N 2.747 123.999 121.223 0.048 0.000 2.261 737 L HA 0.207 4.547 4.340 -0.000 0.000 0.289 737 L C 0.366 177.263 176.870 0.046 0.000 1.059 737 L CA -0.466 54.403 54.840 0.049 0.000 0.816 737 L CB 0.993 43.089 42.059 0.061 0.000 1.191 737 L HN -0.070 nan 8.230 nan 0.000 0.431 738 K N 1.989 122.413 120.400 0.041 0.000 2.397 738 K HA -0.051 4.269 4.320 -0.000 0.000 0.265 738 K C 0.164 176.793 176.600 0.048 0.000 0.982 738 K CA -0.213 56.099 56.287 0.040 0.000 0.931 738 K CB 0.568 33.090 32.500 0.036 0.000 0.943 738 K HN 0.433 nan 8.250 nan 0.000 0.501 739 D N 0.820 121.248 120.400 0.046 0.000 2.390 739 D HA -0.049 4.591 4.640 -0.000 0.000 0.235 739 D C 0.997 177.337 176.300 0.066 0.000 1.040 739 D CA 0.597 54.628 54.000 0.052 0.000 0.923 739 D CB -0.109 40.718 40.800 0.045 0.000 0.886 739 D HN 0.409 nan 8.370 nan 0.000 0.532 740 L N -2.553 118.709 121.223 0.065 0.000 2.575 740 L HA 0.292 4.632 4.340 -0.000 0.000 0.228 740 L C 0.555 177.473 176.870 0.080 0.000 1.075 740 L CA -0.337 54.548 54.840 0.074 0.000 0.867 740 L CB -0.741 41.351 42.059 0.056 0.000 1.097 740 L HN -0.279 nan 8.230 nan 0.000 0.485 741 N N 1.481 120.223 118.700 0.069 0.000 2.412 741 N HA -0.060 4.680 4.740 -0.000 0.000 0.254 741 N C 0.932 176.503 175.510 0.101 0.000 1.232 741 N CA 0.317 53.406 53.050 0.065 0.000 0.880 741 N CB 0.414 38.937 38.487 0.061 0.000 1.076 741 N HN 0.224 nan 8.380 nan 0.000 0.458 742 N N 2.705 121.453 118.700 0.080 0.000 2.051 742 N HA -0.155 4.585 4.740 -0.000 0.000 0.192 742 N C 1.508 177.138 175.510 0.200 0.000 1.049 742 N CA 1.235 54.373 53.050 0.148 0.000 0.845 742 N CB -0.653 37.770 38.487 -0.107 0.000 1.031 742 N HN 0.310 nan 8.380 nan 0.000 0.425 743 V N 2.213 122.196 119.914 0.114 0.000 2.252 743 V HA -0.321 3.799 4.120 -0.000 0.000 0.255 743 V C 2.586 178.752 176.094 0.120 0.000 1.071 743 V CA 2.026 64.393 62.300 0.112 0.000 1.050 743 V CB -0.646 31.221 31.823 0.074 0.000 0.654 743 V HN 0.418 nan 8.190 nan 0.000 0.448 744 K N -0.636 119.828 120.400 0.107 0.000 2.009 744 K HA -0.262 4.058 4.320 -0.000 0.000 0.210 744 K C 2.315 178.973 176.600 0.097 0.000 1.049 744 K CA 2.014 58.359 56.287 0.096 0.000 0.929 744 K CB -0.252 32.297 32.500 0.082 0.000 0.714 744 K HN 0.554 nan 8.250 nan 0.000 0.440 745 Q N 0.084 119.956 119.800 0.120 0.000 2.047 745 Q HA -0.265 4.075 4.340 -0.000 0.000 0.211 745 Q C 2.255 178.297 176.000 0.070 0.000 1.005 745 Q CA 2.618 58.483 55.803 0.105 0.000 0.866 745 Q CB -0.225 28.618 28.738 0.175 0.000 0.938 745 Q HN 0.440 nan 8.270 nan 0.000 0.414 746 M N -0.190 119.482 119.600 0.119 0.000 2.106 746 M HA -0.203 4.277 4.480 -0.000 0.000 0.259 746 M C 2.240 178.573 176.300 0.054 0.000 1.068 746 M CA 1.257 56.603 55.300 0.076 0.000 1.100 746 M CB -0.381 32.304 32.600 0.143 0.000 1.351 746 M HN 0.126 nan 8.290 nan 0.000 0.404 747 V N 0.124 120.081 119.914 0.070 0.000 2.427 747 V HA -0.260 3.860 4.120 -0.000 0.000 0.248 747 V C 2.310 178.429 176.094 0.042 0.000 1.051 747 V CA 1.589 63.926 62.300 0.062 0.000 1.048 747 V CB -0.617 31.255 31.823 0.081 0.000 0.666 747 V HN 0.509 nan 8.190 nan 0.000 0.456 748 M N -0.028 119.593 119.600 0.035 0.000 2.099 748 M HA -0.090 4.390 4.480 -0.000 0.000 0.262 748 M C 2.477 178.777 176.300 -0.000 0.000 1.067 748 M CA 2.018 57.328 55.300 0.017 0.000 1.124 748 M CB -0.591 32.019 32.600 0.017 0.000 1.353 748 M HN 0.385 nan 8.290 nan 0.000 0.410 749 A N -0.014 122.799 122.820 -0.012 0.000 1.908 749 A HA 0.017 4.337 4.320 -0.000 0.000 0.218 749 A C 1.902 179.476 177.584 -0.017 0.000 1.181 749 A CA 1.905 53.923 52.037 -0.032 0.000 0.627 749 A CB -1.104 17.859 19.000 -0.062 0.000 0.818 749 A HN 0.712 nan 8.150 nan 0.000 0.445 750 G N -1.669 107.131 108.800 -0.001 0.000 2.144 750 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.218 750 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.218 750 G C 1.056 175.960 174.900 0.007 0.000 0.988 750 G CA 1.145 46.250 45.100 0.008 0.000 0.659 750 G HN 1.554 nan 8.290 nan 0.000 0.522 751 S N -1.355 114.345 115.700 -0.000 0.000 2.481 751 S HA 0.419 4.889 4.470 -0.000 0.000 0.231 751 S C 0.877 175.487 174.600 0.017 0.000 0.996 751 S CA 1.556 59.757 58.200 0.001 0.000 0.942 751 S CB 0.494 63.683 63.200 -0.019 0.000 0.768 751 S HN 0.480 nan 8.310 nan 0.000 0.520 752 K N -0.411 120.006 120.400 0.028 0.000 2.675 752 K HA 0.473 4.793 4.320 -0.000 0.000 0.280 752 K C -0.194 176.432 176.600 0.044 0.000 0.993 752 K CA 0.377 56.684 56.287 0.035 0.000 0.863 752 K CB 0.960 33.486 32.500 0.043 0.000 1.438 752 K HN 0.594 nan 8.250 nan 0.000 0.389 753 G N 1.222 110.045 108.800 0.039 0.000 2.870 753 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.685 753 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.685 753 G C -0.359 174.578 174.900 0.061 0.000 1.556 753 G CA 0.168 45.295 45.100 0.046 0.000 1.042 753 G HN 1.139 nan 8.290 nan 0.000 0.592 754 S N 0.953 116.695 115.700 0.071 0.000 2.811 754 S HA 0.761 5.231 4.470 -0.000 0.000 0.311 754 S C 0.942 175.640 174.600 0.164 0.000 1.152 754 S CA 0.251 58.516 58.200 0.110 0.000 0.864 754 S CB 1.579 64.839 63.200 0.099 0.000 1.226 754 S HN 1.775 nan 8.310 nan 0.000 0.541 755 F N 1.671 121.639 119.950 0.030 0.000 2.021 755 F HA -0.189 4.338 4.527 -0.000 0.000 0.297 755 F C 2.029 177.852 175.800 0.039 0.000 1.152 755 F CA 1.770 59.790 58.000 0.033 0.000 1.201 755 F CB -0.877 38.142 39.000 0.030 0.000 0.951 755 F HN 0.511 nan 8.300 nan 0.000 0.504 756 I N 1.126 121.501 120.570 -0.326 0.000 2.188 756 I HA -0.481 3.689 4.170 -0.000 0.000 0.246 756 I C 2.240 178.226 176.117 -0.219 0.000 1.033 756 I CA 2.138 63.192 61.300 -0.410 0.000 1.307 756 I CB -1.615 36.287 38.000 -0.162 0.000 1.005 756 I HN 0.386 nan 8.210 nan 0.000 0.421 757 N N 0.808 119.463 118.700 -0.074 0.000 2.061 757 N HA -0.190 4.550 4.740 -0.000 0.000 0.193 757 N C 1.942 177.452 175.510 -0.001 0.000 1.030 757 N CA 1.541 54.583 53.050 -0.013 0.000 0.856 757 N CB -0.323 38.173 38.487 0.016 0.000 1.023 757 N HN 0.431 nan 8.380 nan 0.000 0.424 758 I N 1.416 121.991 120.570 0.008 0.000 2.076 758 I HA -0.287 3.883 4.170 -0.000 0.000 0.237 758 I C 2.513 178.631 176.117 0.003 0.000 1.059 758 I CA 1.231 62.559 61.300 0.046 0.000 1.317 758 I CB -0.581 37.501 38.000 0.136 0.000 1.037 758 I HN 0.063 nan 8.210 nan 0.000 0.398 759 A N 0.464 123.221 122.820 -0.107 0.000 1.852 759 A HA -0.341 3.979 4.320 -0.000 0.000 0.217 759 A C 2.226 179.764 177.584 -0.077 0.000 1.215 759 A CA 2.238 54.199 52.037 -0.127 0.000 0.641 759 A CB -1.149 17.647 19.000 -0.340 0.000 0.838 759 A HN 0.533 nan 8.150 nan 0.000 0.450 760 Q N -1.374 118.376 119.800 -0.084 0.000 2.268 760 Q HA -0.230 4.110 4.340 -0.000 0.000 0.210 760 Q C 2.192 178.246 176.000 0.091 0.000 0.988 760 Q CA 1.904 57.692 55.803 -0.026 0.000 0.883 760 Q CB -0.302 28.495 28.738 0.099 0.000 0.911 760 Q HN 0.766 nan 8.270 nan 0.000 0.430 761 M N -1.170 118.514 119.600 0.139 0.000 2.299 761 M HA -0.052 4.428 4.480 -0.000 0.000 0.264 761 M C 2.043 178.392 176.300 0.082 0.000 1.095 761 M CA 1.066 56.472 55.300 0.176 0.000 1.165 761 M CB 0.307 32.980 32.600 0.121 0.000 1.349 761 M HN 0.009 nan 8.290 nan 0.000 0.446 762 S N 0.097 115.826 115.700 0.049 0.000 2.456 762 S HA 0.237 4.707 4.470 -0.000 0.000 0.224 762 S C 1.563 176.175 174.600 0.019 0.000 1.035 762 S CA 0.582 58.804 58.200 0.037 0.000 0.940 762 S CB 0.141 63.369 63.200 0.047 0.000 0.799 762 S HN 0.440 nan 8.310 nan 0.000 0.508 763 A N 0.196 123.019 122.820 0.005 0.000 2.579 763 A HA 0.544 4.864 4.320 -0.000 0.000 0.220 763 A C 0.634 178.194 177.584 -0.040 0.000 2.352 763 A CA 0.207 52.243 52.037 -0.001 0.000 1.183 763 A CB -0.489 18.524 19.000 0.021 0.000 1.311 763 A HN 0.492 nan 8.150 nan 0.000 0.534 764 C N -0.660 118.601 119.300 -0.065 0.000 2.482 764 C HA 0.612 5.072 4.460 -0.000 0.000 0.317 764 C C 1.695 176.557 174.990 -0.214 0.000 1.197 764 C CA -0.408 58.533 59.018 -0.128 0.000 1.432 764 C CB 0.539 28.244 27.740 -0.059 0.000 2.062 764 C HN 0.559 nan 8.230 nan 0.000 0.471 765 V N 5.088 124.794 119.914 -0.348 0.000 2.231 765 V HA 0.293 4.413 4.120 -0.000 0.000 0.239 765 V C 1.574 177.459 176.094 -0.349 0.000 1.035 765 V CA 2.468 64.502 62.300 -0.444 0.000 0.989 765 V CB -1.012 30.432 31.823 -0.632 0.000 0.636 765 V HN 1.428 nan 8.190 nan 0.000 0.457 766 G N -1.307 107.212 108.800 -0.467 0.000 2.356 766 G HA2 0.318 4.277 3.960 -0.000 0.000 0.300 766 G HA3 0.318 4.277 3.960 -0.000 0.000 0.300 766 G C -1.509 173.175 174.900 -0.360 0.000 1.331 766 G CA -0.200 44.696 45.100 -0.341 0.000 0.905 766 G HN 0.400 nan 8.290 nan 0.000 0.587 767 Q N 0.345 120.126 119.800 -0.032 0.000 2.377 767 Q HA 0.583 4.923 4.340 -0.000 0.000 0.249 767 Q C 0.187 176.230 176.000 0.072 0.000 1.005 767 Q CA -0.246 55.642 55.803 0.142 0.000 0.912 767 Q CB 0.878 29.811 28.738 0.325 0.000 1.223 767 Q HN 0.451 nan 8.270 nan 0.000 0.459 768 Q N 1.654 121.498 119.800 0.075 0.000 2.361 768 Q HA 0.339 4.679 4.340 -0.000 0.000 0.276 768 Q C -0.750 175.272 176.000 0.036 0.000 1.022 768 Q CA 0.375 56.229 55.803 0.084 0.000 0.898 768 Q CB 0.970 29.799 28.738 0.152 0.000 1.246 768 Q HN 0.811 nan 8.270 nan 0.000 0.410 769 S N -0.201 115.505 115.700 0.011 0.000 2.627 769 S HA 0.902 5.372 4.470 -0.000 0.000 0.283 769 S C -1.130 173.446 174.600 -0.040 0.000 1.127 769 S CA -0.911 57.274 58.200 -0.025 0.000 0.863 769 S CB 1.557 64.745 63.200 -0.022 0.000 1.121 769 S HN 0.235 nan 8.310 nan 0.000 0.479 770 V N 1.199 121.079 119.914 -0.057 0.000 2.653 770 V HA 0.484 4.603 4.120 -0.000 0.000 0.298 770 V C -0.351 175.708 176.094 -0.058 0.000 1.097 770 V CA -0.726 61.539 62.300 -0.059 0.000 0.908 770 V CB 0.784 32.566 31.823 -0.068 0.000 1.024 770 V HN 1.137 nan 8.190 nan 0.000 0.435 771 E N 3.185 123.357 120.200 -0.048 0.000 2.722 771 E HA -0.319 4.031 4.350 -0.000 0.000 0.265 771 E C 1.332 177.904 176.600 -0.046 0.000 1.081 771 E CA 0.944 57.318 56.400 -0.043 0.000 0.781 771 E CB -1.234 28.439 29.700 -0.044 0.000 1.372 771 E HN 1.629 nan 8.360 nan 0.000 0.423 772 G N 0.165 108.937 108.800 -0.046 0.000 2.812 772 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.219 772 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.219 772 G C 0.206 175.067 174.900 -0.065 0.000 1.275 772 G CA 0.372 45.444 45.100 -0.048 0.000 0.769 772 G HN 0.238 nan 8.290 nan 0.000 0.527 773 K N 3.240 123.593 120.400 -0.079 0.000 2.402 773 K HA 0.357 4.677 4.320 -0.000 0.000 0.285 773 K C 1.108 177.631 176.600 -0.127 0.000 1.054 773 K CA -0.144 56.077 56.287 -0.111 0.000 1.001 773 K CB 0.402 32.830 32.500 -0.119 0.000 0.946 773 K HN 0.740 nan 8.250 nan 0.000 0.473 774 R N 2.581 122.999 120.500 -0.137 0.000 2.758 774 R HA -0.014 4.326 4.340 -0.000 0.000 0.263 774 R C 0.245 176.426 176.300 -0.197 0.000 1.010 774 R CA -0.692 55.327 56.100 -0.135 0.000 1.114 774 R CB -0.097 30.131 30.300 -0.119 0.000 0.985 774 R HN 0.410 nan 8.270 nan 0.000 0.439 775 I N 0.837 121.284 120.570 -0.205 0.000 3.384 775 I HA -0.289 3.881 4.170 -0.000 0.000 0.361 775 I C 0.985 176.932 176.117 -0.284 0.000 1.146 775 I CA 0.971 62.105 61.300 -0.277 0.000 1.572 775 I CB -1.287 36.394 38.000 -0.531 0.000 1.239 775 I HN 0.891 nan 8.210 nan 0.000 0.473 776 A N 7.825 130.519 122.820 -0.209 0.000 2.247 776 A HA 0.633 4.953 4.320 -0.000 0.000 0.313 776 A C -0.073 177.521 177.584 0.016 0.000 1.109 776 A CA -0.581 51.333 52.037 -0.206 0.000 0.890 776 A CB 0.548 19.463 19.000 -0.142 0.000 1.239 776 A HN 0.567 nan 8.150 nan 0.000 0.506 777 F N 0.941 120.853 119.950 -0.062 0.000 2.541 777 F HA 0.251 4.778 4.527 -0.000 0.000 0.351 777 F C 1.653 177.468 175.800 0.025 0.000 1.209 777 F CA -0.273 57.729 58.000 0.004 0.000 1.277 777 F CB 0.440 39.452 39.000 0.020 0.000 1.632 777 F HN 0.777 nan 8.300 nan 0.000 0.619 778 G N 1.816 110.713 108.800 0.163 0.000 2.430 778 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.216 778 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.216 778 G C 0.415 175.386 174.900 0.119 0.000 1.146 778 G CA -0.066 45.064 45.100 0.050 0.000 0.793 778 G HN 0.393 nan 8.290 nan 0.000 0.537 779 F N 1.731 121.725 119.950 0.073 0.000 2.390 779 F HA 0.298 4.825 4.527 -0.000 0.000 0.361 779 F C 0.534 176.328 175.800 -0.010 0.000 1.124 779 F CA -1.177 56.837 58.000 0.025 0.000 1.149 779 F CB 1.478 40.483 39.000 0.009 0.000 1.160 779 F HN -0.290 nan 8.300 nan 0.000 0.501 780 V N 6.041 126.074 119.914 0.198 0.000 3.102 780 V HA -0.296 3.824 4.120 -0.000 0.000 0.285 780 V C 0.426 176.486 176.094 -0.056 0.000 1.168 780 V CA 0.914 63.257 62.300 0.071 0.000 1.284 780 V CB -0.893 30.956 31.823 0.043 0.000 0.783 780 V HN 0.840 nan 8.190 nan 0.000 0.425 781 D N 3.514 123.827 120.400 -0.145 0.000 2.686 781 D HA -0.200 4.440 4.640 -0.000 0.000 0.235 781 D C 0.443 176.122 176.300 -1.036 0.000 1.160 781 D CA 1.677 55.352 54.000 -0.542 0.000 0.645 781 D CB -0.315 40.366 40.800 -0.198 0.000 1.039 781 D HN 1.029 nan 8.370 nan 0.000 0.423 782 R N -4.203 115.582 120.500 -1.192 0.000 3.033 782 R HA 0.300 4.640 4.340 -0.000 0.000 0.284 782 R C 0.293 176.673 176.300 0.134 0.000 0.997 782 R CA -0.808 54.950 56.100 -0.569 0.000 0.851 782 R CB 0.062 30.304 30.300 -0.096 0.000 1.297 782 R HN -0.206 nan 8.270 nan 0.000 0.518 783 T N 0.687 115.508 114.554 0.445 0.000 2.673 783 T HA 0.191 4.541 4.350 -0.000 0.000 0.248 783 T C 0.786 175.713 174.700 0.379 0.000 1.080 783 T CA 0.756 63.118 62.100 0.436 0.000 1.203 783 T CB -0.136 69.030 68.868 0.498 0.000 0.893 783 T HN 0.275 nan 8.240 nan 0.000 0.404 784 L N 1.504 122.929 121.223 0.336 0.000 2.332 784 L HA 0.351 4.691 4.340 -0.000 0.000 0.269 784 L C -1.573 175.402 176.870 0.175 0.000 1.016 784 L CA -2.397 52.557 54.840 0.190 0.000 0.809 784 L CB 1.282 43.137 42.059 -0.340 0.000 1.280 784 L HN 0.033 nan 8.230 nan 0.000 0.447 785 P HA -0.115 nan 4.420 nan 0.000 0.239 785 P C 0.608 177.945 177.300 0.061 0.000 1.184 785 P CA 1.145 64.176 63.100 -0.114 0.000 0.760 785 P CB -0.120 31.429 31.700 -0.251 0.000 0.884 786 H N -1.509 117.387 119.070 -0.290 0.000 2.536 786 H HA 0.244 4.800 4.556 -0.000 0.000 0.276 786 H C 0.175 175.313 175.328 -0.318 0.000 1.019 786 H CA -0.300 55.526 56.048 -0.369 0.000 1.159 786 H CB -0.237 29.213 29.762 -0.521 0.000 1.373 786 H HN 0.203 nan 8.280 nan 0.000 0.584 787 F N -0.119 119.929 119.950 0.163 0.000 2.576 787 F HA 0.271 4.798 4.527 -0.000 0.000 0.313 787 F C 0.166 175.993 175.800 0.045 0.000 1.078 787 F CA -1.380 56.688 58.000 0.113 0.000 0.921 787 F CB 1.937 41.022 39.000 0.141 0.000 1.232 787 F HN -0.182 nan 8.300 nan 0.000 0.459 788 S N 2.394 118.247 115.700 0.255 0.000 2.481 788 S HA 0.150 4.620 4.470 -0.000 0.000 0.276 788 S C -0.088 174.561 174.600 0.081 0.000 1.247 788 S CA -0.762 57.508 58.200 0.118 0.000 1.053 788 S CB 0.307 63.562 63.200 0.092 0.000 0.925 788 S HN 0.416 nan 8.310 nan 0.000 0.491 789 K N 2.176 122.587 120.400 0.018 0.000 2.570 789 K HA -0.160 4.160 4.320 -0.000 0.000 0.274 789 K C 0.038 176.624 176.600 -0.022 0.000 0.967 789 K CA 0.731 56.986 56.287 -0.054 0.000 0.963 789 K CB -0.082 32.383 32.500 -0.059 0.000 0.883 789 K HN 0.636 nan 8.250 nan 0.000 0.519 790 D N 0.419 120.777 120.400 -0.071 0.000 2.701 790 D HA -0.179 4.461 4.640 -0.000 0.000 0.235 790 D C -0.728 175.735 176.300 0.272 0.000 1.155 790 D CA 1.052 55.139 54.000 0.145 0.000 0.649 790 D CB -0.606 40.266 40.800 0.121 0.000 1.050 790 D HN 0.418 nan 8.370 nan 0.000 0.425 791 D N -0.161 120.386 120.400 0.246 0.000 2.467 791 D HA 0.090 4.730 4.640 -0.000 0.000 0.220 791 D C 0.119 176.648 176.300 0.382 0.000 1.103 791 D CA -0.501 53.643 54.000 0.239 0.000 0.886 791 D CB 0.303 41.138 40.800 0.059 0.000 1.025 791 D HN 0.137 nan 8.370 nan 0.000 0.514 792 Y N 1.514 121.942 120.300 0.212 0.000 2.523 792 Y HA -0.019 4.531 4.550 -0.000 0.000 0.279 792 Y C 1.681 177.663 175.900 0.137 0.000 1.139 792 Y CA -0.063 58.175 58.100 0.229 0.000 1.296 792 Y CB -0.238 38.414 38.460 0.319 0.000 1.045 792 Y HN 0.315 nan 8.280 nan 0.000 0.538 793 S N 1.861 117.692 115.700 0.218 0.000 2.549 793 S HA -0.071 4.399 4.470 -0.000 0.000 0.278 793 S C -1.247 173.380 174.600 0.044 0.000 1.344 793 S CA -0.737 57.529 58.200 0.109 0.000 1.025 793 S CB 0.647 63.873 63.200 0.043 0.000 0.851 793 S HN 0.131 nan 8.310 nan 0.000 0.530 794 P HA -0.134 nan 4.420 nan 0.000 0.215 794 P C 0.719 178.085 177.300 0.110 0.000 1.157 794 P CA 1.467 64.568 63.100 0.002 0.000 0.868 794 P CB -0.211 31.393 31.700 -0.160 0.000 0.788 795 E N -0.305 119.949 120.200 0.091 0.000 2.526 795 E HA -0.071 4.279 4.350 -0.000 0.000 0.205 795 E C 1.900 178.572 176.600 0.121 0.000 1.104 795 E CA 0.855 57.348 56.400 0.155 0.000 0.899 795 E CB -0.581 29.172 29.700 0.088 0.000 0.838 795 E HN 0.283 nan 8.360 nan 0.000 0.564 796 S N -0.849 114.870 115.700 0.031 0.000 2.930 796 S HA 0.068 4.538 4.470 -0.000 0.000 0.253 796 S C 1.373 176.032 174.600 0.099 0.000 1.083 796 S CA -0.335 57.857 58.200 -0.014 0.000 0.836 796 S CB 0.245 63.169 63.200 -0.459 0.000 0.814 796 S HN -0.089 nan 8.310 nan 0.000 0.467 797 K N 1.696 122.093 120.400 -0.005 0.000 2.574 797 K HA 0.187 4.507 4.320 -0.000 0.000 0.193 797 K C 0.798 177.300 176.600 -0.164 0.000 1.035 797 K CA 0.782 56.984 56.287 -0.141 0.000 0.982 797 K CB -0.296 32.103 32.500 -0.169 0.000 0.795 797 K HN 0.639 nan 8.250 nan 0.000 0.491 798 G N 1.688 110.495 108.800 0.012 0.000 2.919 798 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.225 798 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.225 798 G C -0.898 174.212 174.900 0.351 0.000 1.117 798 G CA -0.630 44.590 45.100 0.199 0.000 1.033 798 G HN 0.205 nan 8.290 nan 0.000 0.532 799 F N 1.616 121.708 119.950 0.236 0.000 2.477 799 F HA 0.662 5.189 4.527 -0.000 0.000 0.335 799 F C -0.079 175.787 175.800 0.110 0.000 1.130 799 F CA -1.116 56.959 58.000 0.124 0.000 0.948 799 F CB 2.001 41.047 39.000 0.075 0.000 1.154 799 F HN 0.124 nan 8.300 nan 0.000 0.439 800 V N 7.275 126.859 119.914 -0.549 0.000 2.348 800 V HA 0.131 4.250 4.120 -0.000 0.000 0.270 800 V C 0.863 176.517 176.094 -0.733 0.000 1.037 800 V CA -0.060 61.965 62.300 -0.458 0.000 0.872 800 V CB 1.173 32.757 31.823 -0.397 0.000 1.002 800 V HN 0.959 nan 8.190 nan 0.000 0.464 801 E N 4.377 124.380 120.200 -0.329 0.000 2.170 801 E HA -0.029 4.321 4.350 -0.000 0.000 0.191 801 E C 0.910 177.436 176.600 -0.123 0.000 0.981 801 E CA 0.216 56.544 56.400 -0.120 0.000 0.830 801 E CB 0.338 30.146 29.700 0.179 0.000 0.775 801 E HN 0.753 nan 8.360 nan 0.000 0.470 802 N N 0.907 119.523 118.700 -0.139 0.000 2.317 802 N HA 0.014 4.754 4.740 -0.000 0.000 0.245 802 N C -0.175 175.211 175.510 -0.208 0.000 1.294 802 N CA 0.502 53.476 53.050 -0.126 0.000 0.924 802 N CB 1.145 39.570 38.487 -0.102 0.000 1.186 802 N HN 0.083 nan 8.380 nan 0.000 0.495 803 S N -1.070 114.533 115.700 -0.162 0.000 2.664 803 S HA 0.321 4.791 4.470 -0.000 0.000 0.304 803 S C 0.750 175.245 174.600 -0.176 0.000 1.099 803 S CA -0.734 57.351 58.200 -0.191 0.000 1.003 803 S CB 0.544 63.699 63.200 -0.075 0.000 1.092 803 S HN 0.534 nan 8.310 nan 0.000 0.525 804 Y N -0.047 120.218 120.300 -0.058 0.000 2.556 804 Y HA -0.100 4.450 4.550 -0.000 0.000 0.290 804 Y C 1.968 177.856 175.900 -0.020 0.000 1.149 804 Y CA 0.706 58.785 58.100 -0.036 0.000 1.329 804 Y CB -0.124 38.319 38.460 -0.028 0.000 0.975 804 Y HN 0.607 nan 8.280 nan 0.000 0.561 805 L N 0.076 121.360 121.223 0.102 0.000 2.102 805 L HA -0.054 4.286 4.340 -0.000 0.000 0.202 805 L C 2.196 179.085 176.870 0.032 0.000 1.076 805 L CA 1.492 56.369 54.840 0.062 0.000 0.761 805 L CB -0.444 41.641 42.059 0.042 0.000 0.921 805 L HN -0.061 nan 8.230 nan 0.000 0.444 806 R N 0.117 120.622 120.500 0.007 0.000 2.062 806 R HA 0.250 4.590 4.340 -0.000 0.000 0.231 806 R C 0.297 176.593 176.300 -0.007 0.000 1.136 806 R CA 0.834 56.931 56.100 -0.006 0.000 0.948 806 R CB -0.551 29.736 30.300 -0.021 0.000 0.845 806 R HN 0.521 nan 8.270 nan 0.000 0.430 807 G N 0.414 109.203 108.800 -0.018 0.000 3.363 807 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.685 807 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.685 807 G C -0.839 174.042 174.900 -0.032 0.000 1.199 807 G CA -1.095 44.000 45.100 -0.010 0.000 0.946 807 G HN -0.008 nan 8.290 nan 0.000 0.558 808 L N 1.209 122.419 121.223 -0.022 0.000 2.473 808 L HA 0.530 4.870 4.340 -0.000 0.000 0.280 808 L C 1.856 178.725 176.870 -0.001 0.000 1.266 808 L CA 1.160 55.994 54.840 -0.009 0.000 0.824 808 L CB 0.290 42.410 42.059 0.101 0.000 1.091 808 L HN 1.104 nan 8.230 nan 0.000 0.534 809 T N -2.449 112.111 114.554 0.010 0.000 2.940 809 T HA 0.482 4.832 4.350 -0.000 0.000 0.288 809 T C -2.002 172.717 174.700 0.032 0.000 1.033 809 T CA -1.937 60.166 62.100 0.006 0.000 1.033 809 T CB 1.697 70.572 68.868 0.012 0.000 1.079 809 T HN 0.360 nan 8.240 nan 0.000 0.496 810 P HA -0.238 nan 4.420 nan 0.000 0.219 810 P C 1.468 178.785 177.300 0.028 0.000 1.161 810 P CA 1.659 64.797 63.100 0.064 0.000 0.909 810 P CB 0.006 31.735 31.700 0.047 0.000 0.793 811 Q N -0.550 119.171 119.800 -0.131 0.000 2.020 811 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 811 Q C 2.173 177.742 176.000 -0.719 0.000 0.982 811 Q CA 1.532 57.046 55.803 -0.481 0.000 0.838 811 Q CB -0.836 27.699 28.738 -0.339 0.000 0.899 811 Q HN 0.415 nan 8.270 nan 0.000 0.423 812 E N 0.152 120.166 120.200 -0.309 0.000 2.033 812 E HA -0.232 4.118 4.350 -0.000 0.000 0.199 812 E C 1.854 178.445 176.600 -0.015 0.000 1.011 812 E CA 1.211 57.513 56.400 -0.164 0.000 0.815 812 E CB -0.417 29.251 29.700 -0.053 0.000 0.755 812 E HN 0.246 nan 8.360 nan 0.000 0.451 813 F N 1.230 121.139 119.950 -0.068 0.000 2.045 813 F HA -0.307 4.220 4.527 -0.000 0.000 0.297 813 F C 2.220 178.083 175.800 0.105 0.000 1.114 813 F CA 1.818 59.846 58.000 0.046 0.000 1.207 813 F CB -0.642 38.386 39.000 0.047 0.000 0.964 813 F HN -0.024 nan 8.300 nan 0.000 0.486 814 F N -0.141 119.778 119.950 -0.052 0.000 2.134 814 F HA -0.201 4.326 4.527 -0.000 0.000 0.299 814 F C 2.198 178.035 175.800 0.062 0.000 1.097 814 F CA 1.673 59.620 58.000 -0.087 0.000 1.264 814 F CB -0.660 38.336 39.000 -0.006 0.000 1.001 814 F HN 0.032 nan 8.300 nan 0.000 0.479 815 F N -1.101 118.976 119.950 0.211 0.000 2.051 815 F HA -0.301 4.226 4.527 -0.000 0.000 0.296 815 F C 2.644 178.439 175.800 -0.007 0.000 1.122 815 F CA 1.078 59.151 58.000 0.121 0.000 1.201 815 F CB -1.089 38.003 39.000 0.153 0.000 0.978 815 F HN 0.035 nan 8.300 nan 0.000 0.472 816 H N 0.739 119.866 119.070 0.096 0.000 2.330 816 H HA -0.262 4.294 4.556 -0.000 0.000 0.290 816 H C 1.962 177.201 175.328 -0.148 0.000 1.111 816 H CA 1.562 57.587 56.048 -0.038 0.000 1.226 816 H CB -0.695 29.027 29.762 -0.067 0.000 1.355 816 H HN 0.243 nan 8.280 nan 0.000 0.485 817 A N 0.545 123.156 122.820 -0.348 0.000 1.836 817 A HA -0.287 4.033 4.320 -0.000 0.000 0.215 817 A C 2.616 179.970 177.584 -0.383 0.000 1.214 817 A CA 2.494 54.224 52.037 -0.511 0.000 0.636 817 A CB -1.181 17.399 19.000 -0.700 0.000 0.847 817 A HN 0.559 nan 8.150 nan 0.000 0.451 818 M N -0.381 118.984 119.600 -0.391 0.000 2.164 818 M HA -0.266 4.214 4.480 -0.000 0.000 0.251 818 M C 2.050 178.251 176.300 -0.165 0.000 1.087 818 M CA 1.849 56.996 55.300 -0.255 0.000 1.071 818 M CB -0.905 31.605 32.600 -0.150 0.000 1.347 818 M HN 0.585 nan 8.290 nan 0.000 0.399 819 G N -0.528 108.193 108.800 -0.132 0.000 2.404 819 G HA2 0.004 3.963 3.960 -0.000 0.000 0.214 819 G HA3 0.004 3.963 3.960 -0.000 0.000 0.214 819 G C 1.531 176.349 174.900 -0.137 0.000 1.189 819 G CA 0.758 45.803 45.100 -0.091 0.000 0.789 819 G HN 0.560 nan 8.290 nan 0.000 0.533 820 G N 0.938 109.593 108.800 -0.242 0.000 2.421 820 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.216 820 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.216 820 G C 1.843 176.630 174.900 -0.188 0.000 1.171 820 G CA 1.289 46.239 45.100 -0.251 0.000 0.775 820 G HN 0.509 nan 8.290 nan 0.000 0.543 821 R N 1.068 121.442 120.500 -0.210 0.000 2.174 821 R HA -0.166 4.174 4.340 -0.000 0.000 0.253 821 R C 2.177 178.405 176.300 -0.120 0.000 1.165 821 R CA 2.223 58.223 56.100 -0.167 0.000 0.984 821 R CB -0.713 29.474 30.300 -0.188 0.000 0.873 821 R HN 0.543 nan 8.270 nan 0.000 0.456 822 E N -0.885 119.249 120.200 -0.111 0.000 2.077 822 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 822 E C 1.761 178.319 176.600 -0.069 0.000 0.989 822 E CA 1.362 57.714 56.400 -0.081 0.000 0.800 822 E CB -0.483 29.175 29.700 -0.070 0.000 0.746 822 E HN 0.557 nan 8.360 nan 0.000 0.452 823 G N 1.770 110.526 108.800 -0.073 0.000 2.552 823 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.216 823 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.216 823 G C 1.578 176.443 174.900 -0.058 0.000 1.240 823 G CA 1.120 46.185 45.100 -0.059 0.000 0.796 823 G HN 0.278 nan 8.290 nan 0.000 0.568 824 L N 0.237 121.420 121.223 -0.068 0.000 2.171 824 L HA -0.231 4.109 4.340 -0.000 0.000 0.216 824 L C 2.818 179.657 176.870 -0.052 0.000 1.084 824 L CA 0.906 55.709 54.840 -0.061 0.000 0.771 824 L CB -0.449 41.567 42.059 -0.072 0.000 0.890 824 L HN 0.308 nan 8.230 nan 0.000 0.437 825 I N 0.139 120.676 120.570 -0.055 0.000 2.130 825 I HA -0.245 3.925 4.170 -0.000 0.000 0.232 825 I C 2.213 178.307 176.117 -0.038 0.000 1.064 825 I CA 1.489 62.762 61.300 -0.046 0.000 1.338 825 I CB -0.558 37.413 38.000 -0.049 0.000 1.084 825 I HN 0.360 nan 8.210 nan 0.000 0.404 826 D N -0.136 120.242 120.400 -0.037 0.000 2.311 826 D HA -0.177 4.463 4.640 -0.000 0.000 0.212 826 D C 1.791 178.075 176.300 -0.028 0.000 0.972 826 D CA 1.238 55.220 54.000 -0.030 0.000 0.887 826 D CB -0.913 39.870 40.800 -0.028 0.000 0.915 826 D HN 0.164 nan 8.370 nan 0.000 0.497 827 T N -0.423 114.112 114.554 -0.032 0.000 2.833 827 T HA 0.009 4.359 4.350 -0.000 0.000 0.269 827 T C 1.449 176.134 174.700 -0.025 0.000 1.054 827 T CA 1.397 63.480 62.100 -0.029 0.000 1.135 827 T CB -0.293 68.555 68.868 -0.033 0.000 0.869 827 T HN 0.418 nan 8.240 nan 0.000 0.466 828 A N 0.367 123.171 122.820 -0.027 0.000 2.988 828 A HA 0.558 4.878 4.320 -0.000 0.000 0.288 828 A C 0.949 178.521 177.584 -0.021 0.000 1.385 828 A CA -0.234 51.789 52.037 -0.023 0.000 1.001 828 A CB -0.064 18.921 19.000 -0.025 0.000 1.071 828 A HN 0.305 nan 8.150 nan 0.000 0.608 829 V N -1.606 118.297 119.914 -0.018 0.000 3.930 829 V HA 0.047 4.167 4.120 -0.000 0.000 0.172 829 V C 1.451 177.539 176.094 -0.010 0.000 1.399 829 V CA 0.432 62.723 62.300 -0.015 0.000 1.191 829 V CB -0.321 31.492 31.823 -0.018 0.000 1.204 829 V HN 0.314 nan 8.190 nan 0.000 0.584 830 K N 0.789 121.181 120.400 -0.012 0.000 2.664 830 K HA -0.006 4.314 4.320 -0.000 0.000 0.193 830 K C 1.481 178.075 176.600 -0.009 0.000 1.028 830 K CA 1.338 57.619 56.287 -0.010 0.000 1.005 830 K CB -0.297 32.194 32.500 -0.016 0.000 0.815 830 K HN 0.488 nan 8.250 nan 0.000 0.496 831 T N -2.108 112.441 114.554 -0.008 0.000 2.987 831 T HA 0.263 4.613 4.350 -0.000 0.000 0.248 831 T C 1.438 176.139 174.700 0.002 0.000 0.997 831 T CA 0.484 62.579 62.100 -0.007 0.000 1.013 831 T CB 0.225 69.085 68.868 -0.012 0.000 1.077 831 T HN 0.195 nan 8.240 nan 0.000 0.483 832 A N 0.961 123.783 122.820 0.002 0.000 1.878 832 A HA 0.151 4.471 4.320 -0.000 0.000 0.213 832 A C 2.013 179.614 177.584 0.029 0.000 1.192 832 A CA 1.429 53.471 52.037 0.008 0.000 0.619 832 A CB -0.485 18.510 19.000 -0.008 0.000 0.837 832 A HN 0.513 nan 8.150 nan 0.000 0.446 833 E N -0.880 119.336 120.200 0.027 0.000 2.051 833 E HA -0.134 4.216 4.350 -0.000 0.000 0.192 833 E C 2.059 178.714 176.600 0.091 0.000 0.991 833 E CA 1.528 57.964 56.400 0.061 0.000 0.799 833 E CB -0.173 29.551 29.700 0.041 0.000 0.748 833 E HN 0.515 nan 8.360 nan 0.000 0.449 834 T N -0.371 114.211 114.554 0.046 0.000 2.597 834 T HA -0.243 4.107 4.350 -0.000 0.000 0.267 834 T C 1.700 176.424 174.700 0.039 0.000 1.053 834 T CA 1.627 63.744 62.100 0.028 0.000 1.165 834 T CB -0.860 68.007 68.868 -0.001 0.000 0.863 834 T HN 0.474 nan 8.240 nan 0.000 0.427 835 G N -0.378 108.448 108.800 0.044 0.000 2.556 835 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.220 835 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.220 835 G C 1.332 176.288 174.900 0.094 0.000 1.156 835 G CA 1.398 46.527 45.100 0.048 0.000 0.766 835 G HN 0.559 nan 8.290 nan 0.000 0.583 836 Y N 1.296 121.593 120.300 -0.006 0.000 2.060 836 Y HA -0.092 4.458 4.550 -0.000 0.000 0.276 836 Y C 2.785 178.685 175.900 -0.000 0.000 1.127 836 Y CA 1.390 59.496 58.100 0.009 0.000 1.104 836 Y CB -0.628 37.849 38.460 0.028 0.000 0.983 836 Y HN 0.185 nan 8.280 nan 0.000 0.483 837 I N 0.221 120.809 120.570 0.030 0.000 2.121 837 I HA -0.467 3.703 4.170 -0.000 0.000 0.243 837 I C 2.646 178.685 176.117 -0.131 0.000 1.047 837 I CA 1.995 63.247 61.300 -0.080 0.000 1.308 837 I CB -0.638 37.361 38.000 -0.002 0.000 1.015 837 I HN 0.385 nan 8.210 nan 0.000 0.410 838 Q N 0.773 120.523 119.800 -0.084 0.000 2.152 838 Q HA -0.264 4.076 4.340 -0.000 0.000 0.206 838 Q C 2.243 178.158 176.000 -0.142 0.000 0.985 838 Q CA 1.850 57.592 55.803 -0.102 0.000 0.863 838 Q CB -0.228 28.466 28.738 -0.074 0.000 0.904 838 Q HN 0.488 nan 8.270 nan 0.000 0.422 839 R N -0.251 120.156 120.500 -0.155 0.000 2.056 839 R HA -0.089 4.251 4.340 -0.000 0.000 0.227 839 R C 2.427 178.537 176.300 -0.317 0.000 1.149 839 R CA 1.167 57.148 56.100 -0.198 0.000 0.937 839 R CB -0.038 30.179 30.300 -0.139 0.000 0.835 839 R HN 0.113 nan 8.270 nan 0.000 0.430 840 R N 0.672 120.913 120.500 -0.432 0.000 2.154 840 R HA -0.213 4.127 4.340 -0.000 0.000 0.236 840 R C 2.440 178.531 176.300 -0.349 0.000 1.121 840 R CA 2.307 58.144 56.100 -0.439 0.000 0.915 840 R CB -1.069 29.028 30.300 -0.338 0.000 0.856 840 R HN 0.228 nan 8.270 nan 0.000 0.431 841 L N 0.098 121.160 121.223 -0.269 0.000 2.077 841 L HA -0.389 3.951 4.340 -0.000 0.000 0.231 841 L C 2.416 179.114 176.870 -0.287 0.000 1.100 841 L CA 1.842 56.535 54.840 -0.245 0.000 0.819 841 L CB -0.770 41.184 42.059 -0.175 0.000 0.913 841 L HN 0.150 nan 8.230 nan 0.000 0.446 842 V N -0.761 119.000 119.914 -0.255 0.000 2.220 842 V HA -0.296 3.824 4.120 -0.000 0.000 0.246 842 V C 2.525 178.454 176.094 -0.275 0.000 1.049 842 V CA 1.786 63.947 62.300 -0.232 0.000 1.003 842 V CB -0.535 31.176 31.823 -0.187 0.000 0.634 842 V HN 0.384 nan 8.190 nan 0.000 0.444 843 K N 0.101 120.311 120.400 -0.316 0.000 2.218 843 K HA -0.147 4.173 4.320 -0.000 0.000 0.205 843 K C 2.055 178.429 176.600 -0.376 0.000 1.046 843 K CA 1.585 57.696 56.287 -0.292 0.000 0.933 843 K CB -0.692 31.567 32.500 -0.402 0.000 0.728 843 K HN 0.526 nan 8.250 nan 0.000 0.454 844 A N 0.188 122.557 122.820 -0.751 0.000 2.119 844 A HA 0.015 4.335 4.320 -0.000 0.000 0.216 844 A C 1.628 178.848 177.584 -0.607 0.000 1.152 844 A CA 0.680 51.925 52.037 -1.319 0.000 0.708 844 A CB -0.050 17.960 19.000 -1.650 0.000 0.805 844 A HN 0.253 nan 8.150 nan 0.000 0.460 845 L N -1.774 119.228 121.223 -0.369 0.000 3.135 845 L HA 0.203 4.543 4.340 -0.000 0.000 0.279 845 L C 1.197 177.973 176.870 -0.157 0.000 1.200 845 L CA -0.154 54.552 54.840 -0.224 0.000 1.016 845 L CB -0.311 41.638 42.059 -0.183 0.000 1.391 845 L HN 0.238 nan 8.230 nan 0.000 0.588 846 E N 2.092 122.200 120.200 -0.153 0.000 2.041 846 E HA -0.319 4.031 4.350 -0.000 0.000 0.227 846 E C 1.298 177.844 176.600 -0.090 0.000 1.039 846 E CA 2.216 58.550 56.400 -0.111 0.000 0.904 846 E CB -0.415 29.233 29.700 -0.087 0.000 0.808 846 E HN 0.603 nan 8.360 nan 0.000 0.510 847 D N 1.100 121.461 120.400 -0.065 0.000 2.376 847 D HA -0.216 4.424 4.640 -0.000 0.000 0.206 847 D C 0.578 176.854 176.300 -0.041 0.000 1.001 847 D CA 1.082 55.058 54.000 -0.040 0.000 0.937 847 D CB -0.713 40.080 40.800 -0.012 0.000 0.883 847 D HN 0.216 nan 8.370 nan 0.000 0.466 848 I N 0.820 121.353 120.570 -0.062 0.000 2.496 848 I HA 0.219 4.389 4.170 -0.000 0.000 0.285 848 I C 0.616 176.669 176.117 -0.107 0.000 1.080 848 I CA -0.255 61.009 61.300 -0.060 0.000 1.404 848 I CB 0.465 38.429 38.000 -0.061 0.000 1.403 848 I HN 0.136 nan 8.210 nan 0.000 0.539 849 M N 4.737 124.258 119.600 -0.132 0.000 2.880 849 M HA 0.529 5.009 4.480 -0.000 0.000 0.269 849 M C -1.879 174.271 176.300 -0.249 0.000 1.248 849 M CA -0.912 54.249 55.300 -0.232 0.000 0.821 849 M CB 2.020 34.438 32.600 -0.302 0.000 1.650 849 M HN 0.045 nan 8.290 nan 0.000 0.479 850 V N 2.487 122.229 119.914 -0.286 0.000 2.406 850 V HA 0.364 4.484 4.120 -0.000 0.000 0.272 850 V C -0.154 175.765 176.094 -0.293 0.000 1.043 850 V CA -0.227 61.956 62.300 -0.196 0.000 0.915 850 V CB 0.631 32.353 31.823 -0.169 0.000 0.988 850 V HN 0.672 nan 8.190 nan 0.000 0.466 851 H N 3.725 122.753 119.070 -0.070 0.000 2.488 851 H HA 0.202 4.758 4.556 -0.000 0.000 0.347 851 H C 0.593 175.906 175.328 -0.024 0.000 1.174 851 H CA -0.191 55.812 56.048 -0.075 0.000 1.307 851 H CB 1.109 30.867 29.762 -0.007 0.000 1.517 851 H HN 0.653 nan 8.280 nan 0.000 0.554 852 Y N 0.671 121.074 120.300 0.173 0.000 2.348 852 Y HA -0.294 4.256 4.550 -0.000 0.000 0.285 852 Y C 2.008 177.964 175.900 0.095 0.000 1.173 852 Y CA 1.286 59.453 58.100 0.112 0.000 1.263 852 Y CB 0.154 38.680 38.460 0.109 0.000 0.974 852 Y HN 0.672 nan 8.280 nan 0.000 0.547 853 D N -1.816 118.739 120.400 0.258 0.000 2.347 853 D HA -0.151 4.489 4.640 -0.000 0.000 0.215 853 D C 0.506 176.900 176.300 0.156 0.000 0.976 853 D CA 0.755 54.862 54.000 0.178 0.000 0.884 853 D CB -0.321 40.569 40.800 0.149 0.000 0.915 853 D HN 0.191 nan 8.370 nan 0.000 0.526 854 N N -1.208 117.587 118.700 0.159 0.000 2.994 854 N HA -0.157 4.583 4.740 -0.000 0.000 0.246 854 N C -0.872 174.726 175.510 0.147 0.000 1.061 854 N CA 0.973 54.102 53.050 0.133 0.000 0.845 854 N CB -1.523 37.035 38.487 0.117 0.000 1.119 854 N HN 0.399 nan 8.380 nan 0.000 0.551 855 T N -0.331 114.318 114.554 0.158 0.000 2.943 855 T HA 0.451 4.801 4.350 -0.000 0.000 0.284 855 T C -0.123 174.652 174.700 0.124 0.000 1.015 855 T CA 0.174 62.363 62.100 0.149 0.000 1.042 855 T CB 1.302 70.259 68.868 0.148 0.000 1.055 855 T HN 0.038 nan 8.240 nan 0.000 0.500 856 T N 4.775 119.373 114.554 0.074 0.000 2.853 856 T HA 0.496 4.846 4.350 -0.000 0.000 0.317 856 T C -0.164 174.554 174.700 0.029 0.000 1.059 856 T CA -0.471 61.667 62.100 0.063 0.000 0.954 856 T CB 0.109 69.026 68.868 0.082 0.000 0.994 856 T HN 0.480 nan 8.240 nan 0.000 0.479 857 R N 2.265 122.836 120.500 0.118 0.000 2.930 857 R HA 0.571 4.911 4.340 -0.000 0.000 0.257 857 R C 0.516 176.877 176.300 0.101 0.000 1.107 857 R CA -1.105 55.042 56.100 0.080 0.000 0.999 857 R CB 1.557 31.882 30.300 0.041 0.000 1.209 857 R HN 0.676 nan 8.270 nan 0.000 0.486 858 N N -1.454 117.278 118.700 0.053 0.000 2.948 858 N HA 0.104 4.844 4.740 -0.000 0.000 0.323 858 N C 0.410 175.959 175.510 0.065 0.000 1.374 858 N CA -0.556 52.522 53.050 0.046 0.000 0.765 858 N CB 0.499 38.992 38.487 0.011 0.000 1.152 858 N HN 0.429 nan 8.380 nan 0.000 0.528 859 S N -0.722 115.002 115.700 0.039 0.000 2.561 859 S HA 0.094 4.564 4.470 -0.000 0.000 0.225 859 S C 1.693 176.307 174.600 0.023 0.000 0.977 859 S CA 0.148 58.370 58.200 0.037 0.000 0.926 859 S CB -0.476 62.742 63.200 0.031 0.000 0.769 859 S HN 0.432 nan 8.310 nan 0.000 0.533 860 L N 0.225 121.457 121.223 0.015 0.000 2.269 860 L HA 0.394 4.734 4.340 -0.000 0.000 0.200 860 L C 2.064 178.923 176.870 -0.017 0.000 1.069 860 L CA 0.820 55.664 54.840 0.006 0.000 0.804 860 L CB -0.299 41.768 42.059 0.013 0.000 0.987 860 L HN 0.558 nan 8.230 nan 0.000 0.468 861 G N -0.901 107.879 108.800 -0.032 0.000 2.425 861 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.177 861 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.177 861 G C -0.235 174.632 174.900 -0.056 0.000 0.999 861 G CA -0.604 44.451 45.100 -0.074 0.000 0.723 861 G HN 0.242 nan 8.290 nan 0.000 0.491 862 N N 1.387 120.067 118.700 -0.034 0.000 2.414 862 N HA 0.342 5.082 4.740 -0.000 0.000 0.268 862 N C 0.652 176.113 175.510 -0.082 0.000 1.286 862 N CA 0.230 53.256 53.050 -0.041 0.000 0.896 862 N CB 1.269 39.743 38.487 -0.021 0.000 1.093 862 N HN 0.220 nan 8.380 nan 0.000 0.480 863 V N 3.503 123.333 119.914 -0.140 0.000 2.763 863 V HA 0.010 4.129 4.120 -0.000 0.000 0.306 863 V C 1.560 177.475 176.094 -0.298 0.000 1.059 863 V CA 0.465 62.593 62.300 -0.286 0.000 1.138 863 V CB 0.406 31.878 31.823 -0.586 0.000 0.940 863 V HN 0.640 nan 8.190 nan 0.000 0.489 864 I N 1.840 122.255 120.570 -0.257 0.000 4.338 864 I HA 0.218 4.388 4.170 -0.000 0.000 0.315 864 I C 0.428 176.441 176.117 -0.175 0.000 1.262 864 I CA 0.287 61.487 61.300 -0.167 0.000 1.298 864 I CB 0.459 38.415 38.000 -0.073 0.000 1.257 864 I HN 0.559 nan 8.210 nan 0.000 0.444 865 Q N 0.112 119.800 119.800 -0.188 0.000 2.263 865 Q HA 0.336 4.676 4.340 -0.000 0.000 0.262 865 Q C -0.593 175.354 176.000 -0.088 0.000 0.984 865 Q CA -0.422 55.331 55.803 -0.083 0.000 0.813 865 Q CB 2.252 31.019 28.738 0.048 0.000 1.299 865 Q HN 0.088 nan 8.270 nan 0.000 0.428 866 F N 1.404 121.391 119.950 0.062 0.000 2.641 866 F HA 0.090 4.617 4.527 -0.000 0.000 0.298 866 F C 0.558 176.400 175.800 0.069 0.000 1.146 866 F CA 0.795 58.831 58.000 0.060 0.000 1.464 866 F CB 0.471 39.497 39.000 0.044 0.000 1.101 866 F HN 0.370 nan 8.300 nan 0.000 0.585 867 I N -1.211 119.489 120.570 0.216 0.000 2.622 867 I HA 0.034 4.204 4.170 -0.000 0.000 0.283 867 I C -0.997 175.208 176.117 0.146 0.000 1.202 867 I CA -0.957 60.441 61.300 0.164 0.000 1.075 867 I CB 0.783 38.861 38.000 0.129 0.000 1.274 867 I HN -0.214 nan 8.210 nan 0.000 0.450 868 Y N 7.059 127.388 120.300 0.049 0.000 2.867 868 Y HA 0.152 4.702 4.550 -0.000 0.000 0.367 868 Y C 1.358 177.285 175.900 0.044 0.000 1.310 868 Y CA 1.294 59.414 58.100 0.034 0.000 1.655 868 Y CB -0.165 38.306 38.460 0.020 0.000 1.181 868 Y HN 0.880 nan 8.280 nan 0.000 0.533 869 G N 4.615 113.202 108.800 -0.355 0.000 2.176 869 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.252 869 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.252 869 G C 0.323 175.159 174.900 -0.107 0.000 1.024 869 G CA 0.309 45.194 45.100 -0.358 0.000 0.755 869 G HN 0.935 nan 8.290 nan 0.000 0.507 870 E N -1.287 118.903 120.200 -0.018 0.000 2.971 870 E HA -0.300 4.050 4.350 -0.000 0.000 0.271 870 E C 1.083 177.669 176.600 -0.023 0.000 1.053 870 E CA 1.468 57.875 56.400 0.012 0.000 0.817 870 E CB -0.530 29.181 29.700 0.018 0.000 1.410 870 E HN 0.917 nan 8.360 nan 0.000 0.445 871 D N -2.376 117.996 120.400 -0.047 0.000 2.319 871 D HA 0.051 4.691 4.640 -0.000 0.000 0.406 871 D C 1.104 177.382 176.300 -0.037 0.000 1.087 871 D CA 0.702 54.677 54.000 -0.041 0.000 0.945 871 D CB -0.451 40.305 40.800 -0.073 0.000 1.430 871 D HN 0.321 nan 8.370 nan 0.000 0.487 872 G N 1.286 110.071 108.800 -0.026 0.000 2.168 872 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.257 872 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.257 872 G C -0.057 174.840 174.900 -0.004 0.000 0.997 872 G CA 0.894 46.014 45.100 0.033 0.000 0.708 872 G HN 0.386 nan 8.290 nan 0.000 0.520 873 M N 0.866 120.434 119.600 -0.053 0.000 2.238 873 M HA 0.473 4.953 4.480 -0.000 0.000 0.350 873 M C -0.111 176.242 176.300 0.088 0.000 1.138 873 M CA -1.562 53.697 55.300 -0.069 0.000 1.040 873 M CB 1.500 34.011 32.600 -0.149 0.000 1.639 873 M HN 0.165 nan 8.290 nan 0.000 0.451 874 D N 2.902 123.396 120.400 0.157 0.000 2.358 874 D HA 0.299 4.939 4.640 -0.000 0.000 0.258 874 D C 0.989 177.418 176.300 0.216 0.000 1.223 874 D CA 0.405 54.567 54.000 0.269 0.000 0.886 874 D CB 1.037 42.011 40.800 0.291 0.000 1.120 874 D HN 0.721 nan 8.370 nan 0.000 0.482 875 A N 4.842 127.782 122.820 0.201 0.000 1.969 875 A HA -0.287 4.033 4.320 -0.000 0.000 0.223 875 A C 2.253 179.884 177.584 0.078 0.000 1.218 875 A CA 2.831 54.940 52.037 0.118 0.000 0.667 875 A CB -1.186 17.900 19.000 0.144 0.000 0.826 875 A HN 0.818 nan 8.150 nan 0.000 0.472 876 A N -0.962 121.877 122.820 0.031 0.000 1.940 876 A HA -0.237 4.083 4.320 -0.000 0.000 0.221 876 A C 1.439 178.888 177.584 -0.226 0.000 1.190 876 A CA 1.647 53.600 52.037 -0.139 0.000 0.647 876 A CB -0.963 17.862 19.000 -0.292 0.000 0.821 876 A HN 0.758 nan 8.150 nan 0.000 0.457 877 H N -0.860 118.231 119.070 0.034 0.000 2.553 877 H HA 0.533 5.089 4.556 -0.000 0.000 0.222 877 H C -0.874 174.456 175.328 0.003 0.000 1.779 877 H CA 0.005 56.056 56.048 0.005 0.000 1.241 877 H CB -0.530 29.203 29.762 -0.047 0.000 1.647 877 H HN 0.365 nan 8.280 nan 0.000 0.523 878 I N 1.297 121.938 120.570 0.119 0.000 2.692 878 I HA 0.227 4.397 4.170 -0.000 0.000 0.293 878 I C -0.553 175.666 176.117 0.170 0.000 1.200 878 I CA -0.667 60.706 61.300 0.122 0.000 1.036 878 I CB 2.754 40.822 38.000 0.114 0.000 1.258 878 I HN 0.220 nan 8.210 nan 0.000 0.421 879 E N 3.976 124.268 120.200 0.152 0.000 2.416 879 E HA 0.447 4.797 4.350 -0.000 0.000 0.273 879 E C -1.335 175.350 176.600 0.141 0.000 0.935 879 E CA -1.260 55.248 56.400 0.179 0.000 0.784 879 E CB 2.443 32.212 29.700 0.115 0.000 1.301 879 E HN 0.343 nan 8.360 nan 0.000 0.454 880 K N 2.099 122.571 120.400 0.120 0.000 2.315 880 K HA 0.110 4.430 4.320 -0.000 0.000 0.291 880 K C -0.297 176.326 176.600 0.038 0.000 1.074 880 K CA 0.129 56.449 56.287 0.054 0.000 0.936 880 K CB 0.435 32.931 32.500 -0.006 0.000 1.049 880 K HN 0.327 nan 8.250 nan 0.000 0.471 881 Q N 0.661 120.493 119.800 0.053 0.000 2.252 881 Q HA 0.363 4.703 4.340 -0.000 0.000 0.256 881 Q C -0.436 175.575 176.000 0.019 0.000 1.020 881 Q CA -0.950 54.881 55.803 0.048 0.000 0.913 881 Q CB 1.896 30.686 28.738 0.086 0.000 1.286 881 Q HN 0.588 nan 8.270 nan 0.000 0.480 882 S N -0.108 115.602 115.700 0.018 0.000 2.500 882 S HA 0.516 4.986 4.470 -0.000 0.000 0.301 882 S C -0.354 174.261 174.600 0.025 0.000 1.092 882 S CA -0.857 57.344 58.200 0.002 0.000 1.030 882 S CB 0.590 63.781 63.200 -0.015 0.000 1.031 882 S HN 0.492 nan 8.310 nan 0.000 0.483 883 L N 3.175 124.411 121.223 0.021 0.000 2.422 883 L HA 0.270 4.610 4.340 -0.000 0.000 0.256 883 L C 0.704 177.592 176.870 0.029 0.000 1.202 883 L CA -0.494 54.358 54.840 0.019 0.000 1.119 883 L CB -0.406 41.648 42.059 -0.009 0.000 1.383 883 L HN 0.774 nan 8.230 nan 0.000 0.411 884 D N 0.369 120.805 120.400 0.060 0.000 2.244 884 D HA -0.220 4.420 4.640 -0.000 0.000 0.197 884 D C 1.655 178.009 176.300 0.090 0.000 1.006 884 D CA 1.814 55.870 54.000 0.094 0.000 0.888 884 D CB 0.135 41.033 40.800 0.164 0.000 0.912 884 D HN 0.477 nan 8.370 nan 0.000 0.452 885 T N 1.113 115.702 114.554 0.058 0.000 2.778 885 T HA -0.135 4.215 4.350 -0.000 0.000 0.269 885 T C 2.094 176.816 174.700 0.037 0.000 1.050 885 T CA 0.479 62.595 62.100 0.026 0.000 1.137 885 T CB 0.015 68.882 68.868 -0.001 0.000 0.860 885 T HN 0.227 nan 8.240 nan 0.000 0.468 886 I N 0.264 120.844 120.570 0.017 0.000 2.185 886 I HA 0.069 4.239 4.170 -0.000 0.000 0.235 886 I C 1.763 177.888 176.117 0.014 0.000 1.069 886 I CA 0.459 61.762 61.300 0.004 0.000 1.354 886 I CB -0.755 37.235 38.000 -0.017 0.000 1.093 886 I HN 0.236 nan 8.210 nan 0.000 0.411 887 G N 0.288 109.080 108.800 -0.014 0.000 2.483 887 G HA2 0.441 4.401 3.960 -0.000 0.000 0.248 887 G HA3 0.441 4.401 3.960 -0.000 0.000 0.248 887 G C -0.178 174.765 174.900 0.071 0.000 1.248 887 G CA 0.528 45.628 45.100 -0.001 0.000 0.838 887 G HN 0.689 nan 8.290 nan 0.000 0.566 888 G N -0.196 108.667 108.800 0.105 0.000 2.627 888 G HA2 0.405 4.365 3.960 -0.000 0.000 0.680 888 G HA3 0.405 4.365 3.960 -0.000 0.000 0.680 888 G C -0.067 174.899 174.900 0.112 0.000 1.341 888 G CA -0.096 45.071 45.100 0.112 0.000 0.835 888 G HN 1.826 nan 8.290 nan 0.000 0.643 889 S N 0.861 116.620 115.700 0.099 0.000 2.558 889 S HA 0.232 4.702 4.470 -0.000 0.000 0.288 889 S C 1.081 175.733 174.600 0.086 0.000 1.318 889 S CA 0.603 58.850 58.200 0.077 0.000 1.056 889 S CB 1.487 64.728 63.200 0.068 0.000 0.853 889 S HN 0.598 nan 8.310 nan 0.000 0.505 890 D N 2.209 122.635 120.400 0.043 0.000 2.239 890 D HA -0.186 4.454 4.640 -0.000 0.000 0.202 890 D C 2.007 178.388 176.300 0.134 0.000 0.993 890 D CA 1.642 55.665 54.000 0.038 0.000 0.874 890 D CB -0.374 40.428 40.800 0.003 0.000 0.922 890 D HN 0.754 nan 8.370 nan 0.000 0.464 891 A N 1.420 124.307 122.820 0.112 0.000 1.829 891 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 891 A C 2.455 180.131 177.584 0.153 0.000 1.207 891 A CA 2.626 54.734 52.037 0.119 0.000 0.622 891 A CB -1.196 17.853 19.000 0.080 0.000 0.846 891 A HN 0.241 nan 8.150 nan 0.000 0.447 892 A N -1.374 121.528 122.820 0.137 0.000 1.940 892 A HA -0.245 4.075 4.320 -0.000 0.000 0.221 892 A C 2.063 179.767 177.584 0.200 0.000 1.190 892 A CA 2.211 54.330 52.037 0.138 0.000 0.647 892 A CB -0.990 18.084 19.000 0.124 0.000 0.821 892 A HN 0.775 nan 8.150 nan 0.000 0.457 893 F N 0.349 120.346 119.950 0.078 0.000 2.043 893 F HA -0.252 4.275 4.527 -0.000 0.000 0.297 893 F C 2.301 178.220 175.800 0.199 0.000 1.118 893 F CA 2.511 60.559 58.000 0.080 0.000 1.202 893 F CB -0.431 38.558 39.000 -0.018 0.000 0.965 893 F HN 0.450 nan 8.300 nan 0.000 0.482 894 E N 0.139 120.561 120.200 0.370 0.000 2.012 894 E HA -0.330 4.020 4.350 -0.000 0.000 0.197 894 E C 2.284 178.958 176.600 0.123 0.000 1.007 894 E CA 1.635 58.218 56.400 0.305 0.000 0.816 894 E CB -0.359 29.496 29.700 0.258 0.000 0.762 894 E HN 0.317 nan 8.360 nan 0.000 0.451 895 K N 0.296 120.734 120.400 0.063 0.000 2.366 895 K HA -0.233 4.087 4.320 -0.000 0.000 0.202 895 K C 2.078 178.655 176.600 -0.039 0.000 1.045 895 K CA 1.347 57.617 56.287 -0.029 0.000 0.934 895 K CB 0.022 32.512 32.500 -0.017 0.000 0.746 895 K HN -0.020 nan 8.250 nan 0.000 0.470 896 R N -1.544 118.965 120.500 0.015 0.000 2.191 896 R HA 0.027 4.367 4.340 -0.000 0.000 0.196 896 R C 1.068 177.282 176.300 -0.144 0.000 0.991 896 R CA 0.350 56.419 56.100 -0.052 0.000 1.075 896 R CB 0.267 30.583 30.300 0.027 0.000 1.040 896 R HN 0.147 nan 8.270 nan 0.000 0.526 897 Y N -0.141 120.020 120.300 -0.232 0.000 2.462 897 Y HA 0.288 4.838 4.550 -0.000 0.000 0.253 897 Y C 0.395 176.337 175.900 0.069 0.000 1.095 897 Y CA -0.313 57.669 58.100 -0.197 0.000 1.283 897 Y CB 0.265 38.404 38.460 -0.535 0.000 1.138 897 Y HN -0.142 nan 8.280 nan 0.000 0.522 898 R N 1.241 121.909 120.500 0.280 0.000 2.389 898 R HA 0.476 4.816 4.340 -0.000 0.000 0.295 898 R C -1.483 174.797 176.300 -0.034 0.000 1.075 898 R CA -0.010 56.127 56.100 0.062 0.000 1.005 898 R CB 0.341 30.557 30.300 -0.140 0.000 0.987 898 R HN -0.094 nan 8.270 nan 0.000 0.452 899 V N 4.740 124.619 119.914 -0.059 0.000 2.577 899 V HA 0.339 4.459 4.120 -0.000 0.000 0.303 899 V C -1.163 174.901 176.094 -0.050 0.000 1.042 899 V CA -0.800 61.476 62.300 -0.040 0.000 0.872 899 V CB 1.949 33.758 31.823 -0.022 0.000 0.998 899 V HN 0.817 nan 8.190 nan 0.000 0.423 900 D N 3.962 124.352 120.400 -0.016 0.000 2.542 900 D HA 0.385 5.025 4.640 -0.000 0.000 0.252 900 D C 0.364 176.661 176.300 -0.006 0.000 1.222 900 D CA -0.385 53.603 54.000 -0.019 0.000 0.895 900 D CB 2.052 42.849 40.800 -0.004 0.000 1.207 900 D HN 0.406 nan 8.370 nan 0.000 0.558 901 L N 3.032 124.245 121.223 -0.017 0.000 2.599 901 L HA 0.157 4.497 4.340 -0.000 0.000 0.230 901 L C 0.923 177.783 176.870 -0.016 0.000 1.141 901 L CA 0.450 55.281 54.840 -0.015 0.000 0.877 901 L CB 0.009 42.057 42.059 -0.017 0.000 1.009 901 L HN 0.330 nan 8.230 nan 0.000 0.447 902 L N 0.212 121.422 121.223 -0.022 0.000 2.959 902 L HA 0.360 4.700 4.340 -0.000 0.000 0.236 902 L C -0.455 176.393 176.870 -0.037 0.000 1.296 902 L CA -0.063 54.761 54.840 -0.028 0.000 1.047 902 L CB -0.364 41.675 42.059 -0.032 0.000 1.395 902 L HN 0.196 nan 8.230 nan 0.000 0.492 903 N N -1.036 117.650 118.700 -0.023 0.000 3.270 903 N HA 0.017 4.757 4.740 -0.000 0.000 0.227 903 N C 0.536 176.051 175.510 0.008 0.000 1.071 903 N CA -0.119 52.914 53.050 -0.028 0.000 1.073 903 N CB 1.240 39.685 38.487 -0.070 0.000 1.633 903 N HN 0.012 nan 8.380 nan 0.000 0.664 904 T N 0.826 115.382 114.554 0.003 0.000 2.822 904 T HA -0.129 4.221 4.350 -0.000 0.000 0.270 904 T C 0.405 175.130 174.700 0.041 0.000 1.064 904 T CA 1.282 63.391 62.100 0.015 0.000 1.131 904 T CB -0.102 68.769 68.868 0.006 0.000 0.858 904 T HN 0.556 nan 8.240 nan 0.000 0.483 905 D N -0.743 119.712 120.400 0.091 0.000 2.441 905 D HA 0.079 4.719 4.640 -0.000 0.000 0.210 905 D C 0.697 177.155 176.300 0.263 0.000 1.102 905 D CA 0.325 54.422 54.000 0.161 0.000 0.840 905 D CB 0.268 41.182 40.800 0.190 0.000 0.990 905 D HN 0.399 nan 8.370 nan 0.000 0.505 906 H N -0.613 118.436 119.070 -0.035 0.000 2.674 906 H HA 0.282 4.838 4.556 -0.000 0.000 0.274 906 H C 0.195 175.493 175.328 -0.050 0.000 1.121 906 H CA -0.055 55.967 56.048 -0.044 0.000 1.132 906 H CB 0.614 30.343 29.762 -0.055 0.000 1.606 906 H HN -0.165 nan 8.280 nan 0.000 0.558 907 T N 0.600 115.187 114.554 0.055 0.000 2.897 907 T HA 0.422 4.772 4.350 -0.000 0.000 0.278 907 T C 0.240 174.930 174.700 -0.017 0.000 0.981 907 T CA -0.753 61.352 62.100 0.009 0.000 0.973 907 T CB 0.887 69.758 68.868 0.004 0.000 1.092 907 T HN 0.076 nan 8.240 nan 0.000 0.543 908 L N 2.263 123.469 121.223 -0.028 0.000 2.313 908 L HA 0.283 4.623 4.340 -0.000 0.000 0.282 908 L C 0.745 177.596 176.870 -0.031 0.000 1.092 908 L CA -0.675 54.141 54.840 -0.040 0.000 0.831 908 L CB 0.239 42.270 42.059 -0.047 0.000 1.159 908 L HN 0.602 nan 8.230 nan 0.000 0.442 909 D N 7.021 127.402 120.400 -0.032 0.000 2.434 909 D HA 0.001 4.641 4.640 -0.000 0.000 0.252 909 D C -1.318 174.968 176.300 -0.024 0.000 1.185 909 D CA -1.186 52.799 54.000 -0.024 0.000 0.886 909 D CB 1.467 42.252 40.800 -0.025 0.000 1.148 909 D HN 0.365 nan 8.370 nan 0.000 0.483 910 P HA -0.171 nan 4.420 nan 0.000 0.229 910 P C 0.964 178.253 177.300 -0.017 0.000 1.147 910 P CA 0.668 63.756 63.100 -0.019 0.000 0.766 910 P CB -0.051 31.640 31.700 -0.015 0.000 0.775 911 S N -1.735 113.955 115.700 -0.016 0.000 2.561 911 S HA 0.027 4.497 4.470 -0.000 0.000 0.225 911 S C 1.693 176.286 174.600 -0.013 0.000 0.977 911 S CA 0.244 58.436 58.200 -0.012 0.000 0.926 911 S CB -0.900 62.294 63.200 -0.010 0.000 0.769 911 S HN 0.176 nan 8.310 nan 0.000 0.533 912 L N -0.789 120.422 121.223 -0.021 0.000 2.519 912 L HA 0.504 4.844 4.340 -0.000 0.000 0.194 912 L C 0.447 177.298 176.870 -0.031 0.000 1.072 912 L CA -0.236 54.589 54.840 -0.025 0.000 0.845 912 L CB -0.351 41.687 42.059 -0.036 0.000 1.138 912 L HN 0.283 nan 8.230 nan 0.000 0.487 913 L N 0.334 121.536 121.223 -0.036 0.000 2.307 913 L HA 0.263 4.603 4.340 -0.000 0.000 0.282 913 L C 1.057 177.908 176.870 -0.032 0.000 1.051 913 L CA 0.181 54.997 54.840 -0.041 0.000 0.804 913 L CB 1.385 43.414 42.059 -0.049 0.000 1.197 913 L HN 0.099 nan 8.230 nan 0.000 0.431 914 E N 1.261 121.442 120.200 -0.032 0.000 2.038 914 E HA -0.164 4.186 4.350 -0.000 0.000 0.195 914 E C 0.749 177.335 176.600 -0.023 0.000 1.000 914 E CA 1.632 58.017 56.400 -0.024 0.000 0.803 914 E CB 0.136 29.822 29.700 -0.024 0.000 0.750 914 E HN 0.829 nan 8.360 nan 0.000 0.448 915 S N -0.612 115.071 115.700 -0.028 0.000 2.994 915 S HA 0.236 4.706 4.470 -0.000 0.000 0.247 915 S C 1.050 175.634 174.600 -0.026 0.000 1.323 915 S CA -0.179 58.006 58.200 -0.025 0.000 1.246 915 S CB 0.712 63.896 63.200 -0.027 0.000 0.994 915 S HN 0.320 nan 8.310 nan 0.000 0.484 916 G N 2.855 111.640 108.800 -0.025 0.000 2.454 916 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.214 916 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.214 916 G C 1.687 176.575 174.900 -0.020 0.000 1.217 916 G CA 0.739 45.824 45.100 -0.024 0.000 0.799 916 G HN 0.755 nan 8.290 nan 0.000 0.538 917 S N 1.654 117.344 115.700 -0.016 0.000 2.370 917 S HA -0.176 4.294 4.470 -0.000 0.000 0.226 917 S C 1.887 176.479 174.600 -0.014 0.000 1.033 917 S CA 1.817 60.009 58.200 -0.014 0.000 1.011 917 S CB -0.517 62.676 63.200 -0.011 0.000 0.852 917 S HN 0.710 nan 8.310 nan 0.000 0.457 918 E N 0.430 120.621 120.200 -0.014 0.000 2.365 918 E HA 0.287 4.637 4.350 -0.000 0.000 0.188 918 E C 1.180 177.771 176.600 -0.015 0.000 1.102 918 E CA 0.094 56.486 56.400 -0.014 0.000 0.927 918 E CB -0.290 29.402 29.700 -0.013 0.000 1.073 918 E HN 0.640 nan 8.360 nan 0.000 0.467 919 I N -0.135 120.425 120.570 -0.017 0.000 3.673 919 I HA 0.064 4.234 4.170 -0.000 0.000 0.281 919 I C 0.919 177.027 176.117 -0.016 0.000 1.182 919 I CA -0.536 60.754 61.300 -0.018 0.000 1.391 919 I CB 0.497 38.484 38.000 -0.022 0.000 1.383 919 I HN 0.218 nan 8.210 nan 0.000 0.456 920 L N 2.924 124.138 121.223 -0.015 0.000 2.877 920 L HA -0.159 4.181 4.340 -0.000 0.000 0.287 920 L C 1.008 177.870 176.870 -0.014 0.000 1.112 920 L CA 1.304 56.136 54.840 -0.013 0.000 0.986 920 L CB -0.321 41.731 42.059 -0.012 0.000 1.384 920 L HN 0.645 nan 8.230 nan 0.000 0.460 921 G N 2.550 111.341 108.800 -0.015 0.000 2.349 921 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.213 921 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.213 921 G C 0.265 175.157 174.900 -0.014 0.000 1.044 921 G CA 0.068 45.159 45.100 -0.015 0.000 0.633 921 G HN 0.738 nan 8.290 nan 0.000 0.506 922 D N 1.405 121.796 120.400 -0.014 0.000 2.793 922 D HA 0.045 4.685 4.640 -0.000 0.000 0.230 922 D C 1.701 177.994 176.300 -0.012 0.000 1.139 922 D CA 0.512 54.505 54.000 -0.013 0.000 0.838 922 D CB 0.266 41.058 40.800 -0.013 0.000 1.149 922 D HN 0.313 nan 8.370 nan 0.000 0.526 923 L N 4.212 125.429 121.223 -0.011 0.000 2.131 923 L HA -0.103 4.237 4.340 -0.000 0.000 0.206 923 L C 2.439 179.305 176.870 -0.007 0.000 1.087 923 L CA 0.689 55.523 54.840 -0.010 0.000 0.767 923 L CB -0.040 42.013 42.059 -0.009 0.000 0.917 923 L HN 0.376 nan 8.230 nan 0.000 0.441 924 K N -0.149 120.247 120.400 -0.007 0.000 2.209 924 K HA -0.131 4.189 4.320 -0.000 0.000 0.204 924 K C 1.965 178.563 176.600 -0.004 0.000 1.048 924 K CA 0.962 57.246 56.287 -0.005 0.000 0.940 924 K CB 0.037 32.534 32.500 -0.005 0.000 0.729 924 K HN 0.301 nan 8.250 nan 0.000 0.451 925 L N 0.368 121.587 121.223 -0.007 0.000 2.068 925 L HA -0.121 4.219 4.340 -0.000 0.000 0.204 925 L C 2.365 179.232 176.870 -0.004 0.000 1.076 925 L CA 0.703 55.539 54.840 -0.007 0.000 0.753 925 L CB -0.441 41.610 42.059 -0.013 0.000 0.910 925 L HN 0.151 nan 8.230 nan 0.000 0.439 926 Q N 0.109 119.905 119.800 -0.007 0.000 2.389 926 Q HA -0.179 4.161 4.340 -0.000 0.000 0.213 926 Q C 2.148 178.150 176.000 0.003 0.000 0.989 926 Q CA 1.216 57.015 55.803 -0.006 0.000 0.891 926 Q CB -0.405 28.326 28.738 -0.012 0.000 0.923 926 Q HN 0.392 nan 8.270 nan 0.000 0.455 927 V N -0.012 119.905 119.914 0.005 0.000 2.407 927 V HA -0.190 3.930 4.120 -0.000 0.000 0.245 927 V C 2.308 178.414 176.094 0.021 0.000 1.041 927 V CA 0.978 63.286 62.300 0.013 0.000 1.040 927 V CB -0.412 31.417 31.823 0.009 0.000 0.671 927 V HN 0.259 nan 8.190 nan 0.000 0.455 928 L N -0.853 120.379 121.223 0.016 0.000 2.005 928 L HA -0.129 4.211 4.340 -0.000 0.000 0.207 928 L C 2.545 179.435 176.870 0.033 0.000 1.072 928 L CA 1.098 55.950 54.840 0.020 0.000 0.744 928 L CB -0.673 41.392 42.059 0.010 0.000 0.895 928 L HN 0.271 nan 8.230 nan 0.000 0.433 929 L N 0.211 121.449 121.223 0.026 0.000 1.997 929 L HA -0.306 4.034 4.340 -0.000 0.000 0.216 929 L C 2.344 179.257 176.870 0.071 0.000 1.074 929 L CA 2.073 56.935 54.840 0.037 0.000 0.763 929 L CB -1.148 40.919 42.059 0.012 0.000 0.890 929 L HN 0.368 nan 8.230 nan 0.000 0.434 930 D N -0.749 119.684 120.400 0.054 0.000 2.178 930 D HA -0.168 4.472 4.640 -0.000 0.000 0.202 930 D C 2.113 178.482 176.300 0.116 0.000 0.974 930 D CA 0.742 54.790 54.000 0.080 0.000 0.841 930 D CB 0.200 41.025 40.800 0.042 0.000 0.953 930 D HN 0.441 nan 8.370 nan 0.000 0.478 931 E N 0.648 120.896 120.200 0.079 0.000 2.038 931 E HA -0.204 4.146 4.350 -0.000 0.000 0.195 931 E C 1.990 178.644 176.600 0.089 0.000 1.000 931 E CA 0.898 57.340 56.400 0.071 0.000 0.803 931 E CB -0.014 29.712 29.700 0.044 0.000 0.750 931 E HN 0.354 nan 8.360 nan 0.000 0.448 932 E N -0.006 120.250 120.200 0.092 0.000 2.065 932 E HA -0.284 4.066 4.350 -0.000 0.000 0.201 932 E C 2.028 178.712 176.600 0.140 0.000 1.016 932 E CA 1.447 57.905 56.400 0.098 0.000 0.818 932 E CB -0.300 29.457 29.700 0.094 0.000 0.749 932 E HN 0.305 nan 8.360 nan 0.000 0.453 933 Y N 1.124 121.459 120.300 0.058 0.000 2.114 933 Y HA -0.130 4.420 4.550 -0.000 0.000 0.284 933 Y C 2.069 178.027 175.900 0.097 0.000 1.143 933 Y CA 1.951 60.103 58.100 0.087 0.000 1.135 933 Y CB 0.025 38.535 38.460 0.083 0.000 0.980 933 Y HN -0.075 nan 8.280 nan 0.000 0.499 934 K N -0.235 120.305 120.400 0.232 0.000 2.520 934 K HA -0.243 4.077 4.320 -0.000 0.000 0.197 934 K C 1.778 178.405 176.600 0.045 0.000 1.043 934 K CA 1.213 57.579 56.287 0.132 0.000 0.944 934 K CB -0.020 32.549 32.500 0.115 0.000 0.770 934 K HN 0.352 nan 8.250 nan 0.000 0.480 935 Q N 0.538 120.355 119.800 0.028 0.000 2.274 935 Q HA 0.069 4.409 4.340 -0.000 0.000 0.198 935 Q C 1.708 177.692 176.000 -0.027 0.000 0.955 935 Q CA 0.785 56.589 55.803 0.001 0.000 0.859 935 Q CB -0.012 28.731 28.738 0.009 0.000 0.956 935 Q HN 0.191 nan 8.270 nan 0.000 0.516 936 L N 0.027 121.227 121.223 -0.038 0.000 2.189 936 L HA -0.173 4.167 4.340 -0.000 0.000 0.214 936 L C 2.212 179.075 176.870 -0.012 0.000 1.097 936 L CA 0.773 55.595 54.840 -0.031 0.000 0.764 936 L CB -0.693 41.319 42.059 -0.079 0.000 0.900 936 L HN 0.101 nan 8.230 nan 0.000 0.436 937 V N 0.180 120.040 119.914 -0.090 0.000 2.244 937 V HA -0.302 3.818 4.120 -0.000 0.000 0.244 937 V C 2.688 178.722 176.094 -0.100 0.000 1.042 937 V CA 2.066 64.274 62.300 -0.153 0.000 1.006 937 V CB -0.426 31.324 31.823 -0.122 0.000 0.641 937 V HN 0.453 nan 8.190 nan 0.000 0.446 938 K N -0.080 120.295 120.400 -0.041 0.000 2.020 938 K HA -0.304 4.016 4.320 -0.000 0.000 0.212 938 K C 1.845 178.458 176.600 0.023 0.000 1.050 938 K CA 2.501 58.788 56.287 0.000 0.000 0.929 938 K CB -0.440 32.069 32.500 0.015 0.000 0.714 938 K HN 0.456 nan 8.250 nan 0.000 0.443 939 D N -0.029 120.364 120.400 -0.012 0.000 2.154 939 D HA -0.228 4.412 4.640 -0.000 0.000 0.190 939 D C 1.957 178.275 176.300 0.031 0.000 1.003 939 D CA 1.665 55.652 54.000 -0.022 0.000 0.849 939 D CB -0.197 40.568 40.800 -0.058 0.000 0.942 939 D HN 0.226 nan 8.370 nan 0.000 0.446 940 R N 0.647 121.123 120.500 -0.039 0.000 2.148 940 R HA -0.191 4.149 4.340 -0.000 0.000 0.230 940 R C 2.047 178.345 176.300 -0.004 0.000 1.120 940 R CA 1.864 57.917 56.100 -0.079 0.000 0.902 940 R CB -0.010 30.116 30.300 -0.289 0.000 0.839 940 R HN -0.004 nan 8.270 nan 0.000 0.431 941 K N 0.071 120.453 120.400 -0.030 0.000 2.059 941 K HA -0.244 4.076 4.320 -0.000 0.000 0.212 941 K C 2.063 178.694 176.600 0.052 0.000 1.050 941 K CA 1.990 58.273 56.287 -0.007 0.000 0.927 941 K CB -0.937 31.547 32.500 -0.026 0.000 0.714 941 K HN 0.324 nan 8.250 nan 0.000 0.447 942 F N 1.912 121.831 119.950 -0.050 0.000 2.065 942 F HA -0.254 4.273 4.527 -0.000 0.000 0.298 942 F C 2.139 177.924 175.800 -0.026 0.000 1.112 942 F CA 1.441 59.416 58.000 -0.042 0.000 1.212 942 F CB -0.200 38.777 39.000 -0.038 0.000 0.975 942 F HN -0.099 nan 8.300 nan 0.000 0.476 943 L N 0.021 121.504 121.223 0.432 0.000 2.046 943 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 943 L C 2.434 179.425 176.870 0.203 0.000 1.077 943 L CA 1.446 56.498 54.840 0.353 0.000 0.747 943 L CB -0.787 41.409 42.059 0.229 0.000 0.896 943 L HN 0.065 nan 8.230 nan 0.000 0.432 944 R N -0.072 120.503 120.500 0.125 0.000 2.357 944 R HA -0.110 4.230 4.340 -0.000 0.000 0.202 944 R C 1.610 177.924 176.300 0.024 0.000 1.047 944 R CA 0.556 56.722 56.100 0.110 0.000 1.034 944 R CB -0.023 30.339 30.300 0.103 0.000 0.875 944 R HN 0.477 nan 8.270 nan 0.000 0.473 945 E N -0.793 119.367 120.200 -0.066 0.000 2.431 945 E HA -0.002 4.348 4.350 -0.000 0.000 0.200 945 E C 1.245 177.696 176.600 -0.250 0.000 0.995 945 E CA 0.128 56.422 56.400 -0.177 0.000 0.915 945 E CB 0.745 30.276 29.700 -0.282 0.000 0.930 945 E HN 0.057 nan 8.360 nan 0.000 0.496 946 V N -0.090 119.671 119.914 -0.255 0.000 2.627 946 V HA 0.042 4.162 4.120 -0.000 0.000 0.239 946 V C 0.338 176.105 176.094 -0.545 0.000 1.077 946 V CA 0.744 62.771 62.300 -0.455 0.000 1.103 946 V CB 0.126 31.621 31.823 -0.546 0.000 0.802 946 V HN 0.085 nan 8.190 nan 0.000 0.482 947 F N 0.440 120.288 119.950 -0.170 0.000 2.395 947 F HA 0.387 4.914 4.527 -0.000 0.000 0.347 947 F C 1.163 176.951 175.800 -0.019 0.000 1.157 947 F CA -0.286 57.633 58.000 -0.136 0.000 1.272 947 F CB 0.375 39.276 39.000 -0.165 0.000 1.607 947 F HN -0.191 nan 8.300 nan 0.000 0.571 948 V N 0.456 120.423 119.914 0.088 0.000 2.392 948 V HA -0.305 3.815 4.120 -0.000 0.000 0.249 948 V C 2.133 178.350 176.094 0.205 0.000 1.059 948 V CA 1.875 64.246 62.300 0.119 0.000 1.051 948 V CB -0.297 31.546 31.823 0.034 0.000 0.658 948 V HN 0.615 nan 8.190 nan 0.000 0.455 949 D N 0.316 120.822 120.400 0.177 0.000 2.157 949 D HA -0.200 4.440 4.640 -0.000 0.000 0.191 949 D C 1.910 178.259 176.300 0.082 0.000 1.004 949 D CA 2.321 56.417 54.000 0.161 0.000 0.854 949 D CB -0.209 40.699 40.800 0.180 0.000 0.936 949 D HN 0.637 nan 8.370 nan 0.000 0.446 950 G N 0.513 109.284 108.800 -0.048 0.000 2.184 950 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.206 950 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.206 950 G C 0.161 174.896 174.900 -0.275 0.000 0.995 950 G CA 0.363 45.111 45.100 -0.588 0.000 0.651 950 G HN 0.352 nan 8.290 nan 0.000 0.511 951 E N 0.797 120.994 120.200 -0.005 0.000 2.376 951 E HA 0.652 5.002 4.350 -0.000 0.000 0.266 951 E C 1.112 177.773 176.600 0.102 0.000 1.009 951 E CA 0.900 57.305 56.400 0.009 0.000 0.902 951 E CB 0.902 30.649 29.700 0.079 0.000 0.972 951 E HN 0.732 nan 8.360 nan 0.000 0.439 952 A N 5.012 127.786 122.820 -0.077 0.000 2.259 952 A HA 0.136 4.456 4.320 -0.000 0.000 0.213 952 A C 0.166 177.690 177.584 -0.101 0.000 1.209 952 A CA -0.269 51.751 52.037 -0.028 0.000 0.910 952 A CB 0.120 19.080 19.000 -0.066 0.000 0.946 952 A HN 0.569 nan 8.150 nan 0.000 0.497 953 N N 0.352 118.816 118.700 -0.393 0.000 2.408 953 N HA 0.337 5.077 4.740 -0.000 0.000 0.257 953 N C -1.540 173.420 175.510 -0.917 0.000 1.064 953 N CA 0.388 53.174 53.050 -0.441 0.000 0.952 953 N CB 0.472 38.746 38.487 -0.354 0.000 1.093 953 N HN 0.458 nan 8.380 nan 0.000 0.490 954 W N 1.981 123.192 121.300 -0.149 0.000 3.029 954 W HA 0.408 5.068 4.660 -0.000 0.000 0.339 954 W C -2.113 174.396 176.519 -0.017 0.000 1.198 954 W CA -1.629 55.648 57.345 -0.115 0.000 1.148 954 W CB 1.005 30.339 29.460 -0.209 0.000 1.451 954 W HN 0.284 nan 8.180 nan 0.000 0.564 955 P HA 0.408 nan 4.420 nan 0.000 0.281 955 P C -1.054 176.373 177.300 0.211 0.000 1.252 955 P CA 0.256 63.492 63.100 0.227 0.000 0.778 955 P CB 1.366 33.231 31.700 0.275 0.000 0.895 956 L N 4.533 125.859 121.223 0.171 0.000 2.545 956 L HA 0.394 4.734 4.340 -0.000 0.000 0.258 956 L C -2.466 174.469 176.870 0.108 0.000 0.942 956 L CA -2.447 52.486 54.840 0.155 0.000 0.855 956 L CB 3.247 45.451 42.059 0.241 0.000 1.374 956 L HN 0.194 nan 8.230 nan 0.000 0.411 957 P HA 0.043 nan 4.420 nan 0.000 0.269 957 P C -0.374 176.913 177.300 -0.022 0.000 1.217 957 P CA 0.195 63.235 63.100 -0.100 0.000 0.783 957 P CB 1.027 32.517 31.700 -0.350 0.000 0.898 958 V N -0.193 119.720 119.914 -0.002 0.000 3.683 958 V HA -0.220 3.900 4.120 -0.000 0.000 0.493 958 V C 0.552 176.734 176.094 0.148 0.000 0.682 958 V CA 0.419 62.774 62.300 0.092 0.000 2.008 958 V CB -1.466 30.484 31.823 0.211 0.000 2.427 958 V HN 0.914 nan 8.190 nan 0.000 0.505 959 N N 5.505 124.248 118.700 0.071 0.000 2.439 959 N HA 0.288 5.028 4.740 -0.000 0.000 0.243 959 N C 0.873 176.404 175.510 0.035 0.000 1.088 959 N CA -0.084 52.998 53.050 0.053 0.000 0.940 959 N CB 0.834 39.322 38.487 0.003 0.000 1.180 959 N HN 0.691 nan 8.380 nan 0.000 0.505 960 I N 2.709 123.309 120.570 0.050 0.000 2.286 960 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 960 I C 2.487 178.576 176.117 -0.047 0.000 1.104 960 I CA 0.454 61.750 61.300 -0.008 0.000 1.397 960 I CB -0.134 37.854 38.000 -0.020 0.000 1.072 960 I HN 0.572 nan 8.210 nan 0.000 0.417 961 R N 1.553 122.041 120.500 -0.020 0.000 2.143 961 R HA -0.270 4.070 4.340 -0.000 0.000 0.239 961 R C 2.457 178.723 176.300 -0.056 0.000 1.126 961 R CA 2.233 58.315 56.100 -0.029 0.000 0.927 961 R CB -0.299 30.002 30.300 0.002 0.000 0.860 961 R HN 0.278 nan 8.270 nan 0.000 0.433 962 R N 0.101 120.579 120.500 -0.036 0.000 2.073 962 R HA -0.107 4.233 4.340 -0.000 0.000 0.234 962 R C 2.526 178.801 176.300 -0.042 0.000 1.134 962 R CA 1.637 57.714 56.100 -0.039 0.000 0.952 962 R CB -0.586 29.706 30.300 -0.012 0.000 0.850 962 R HN 0.396 nan 8.270 nan 0.000 0.433 963 I N 0.930 121.471 120.570 -0.049 0.000 2.300 963 I HA -0.338 3.832 4.170 -0.000 0.000 0.252 963 I C 2.056 178.155 176.117 -0.029 0.000 1.119 963 I CA 1.434 62.697 61.300 -0.062 0.000 1.384 963 I CB 0.046 37.976 38.000 -0.116 0.000 1.062 963 I HN 0.219 nan 8.210 nan 0.000 0.426 964 I N -0.177 120.335 120.570 -0.097 0.000 2.235 964 I HA -0.279 3.891 4.170 -0.000 0.000 0.241 964 I C 2.430 178.504 176.117 -0.072 0.000 1.085 964 I CA 0.928 62.144 61.300 -0.139 0.000 1.378 964 I CB -0.353 37.412 38.000 -0.391 0.000 1.076 964 I HN 0.246 nan 8.210 nan 0.000 0.415 965 Q N 0.705 120.432 119.800 -0.121 0.000 2.156 965 Q HA -0.274 4.066 4.340 -0.000 0.000 0.211 965 Q C 1.870 177.786 176.000 -0.140 0.000 0.995 965 Q CA 1.793 57.468 55.803 -0.213 0.000 0.877 965 Q CB -0.367 28.158 28.738 -0.355 0.000 0.920 965 Q HN 0.581 nan 8.270 nan 0.000 0.416 966 N N 0.301 119.016 118.700 0.025 0.000 2.135 966 N HA -0.093 4.647 4.740 -0.000 0.000 0.186 966 N C 1.810 177.426 175.510 0.176 0.000 1.027 966 N CA 1.174 54.316 53.050 0.153 0.000 0.849 966 N CB -0.440 38.224 38.487 0.296 0.000 1.002 966 N HN 0.224 nan 8.380 nan 0.000 0.425 967 A N 2.325 125.344 122.820 0.331 0.000 1.940 967 A HA -0.252 4.068 4.320 -0.000 0.000 0.221 967 A C 2.150 179.791 177.584 0.095 0.000 1.190 967 A CA 1.417 53.589 52.037 0.225 0.000 0.647 967 A CB -0.531 18.631 19.000 0.271 0.000 0.821 967 A HN 0.289 nan 8.150 nan 0.000 0.457 968 Q N -0.436 119.394 119.800 0.049 0.000 1.803 968 Q HA -0.281 4.059 4.340 -0.000 0.000 0.284 968 Q C 2.220 178.238 176.000 0.029 0.000 1.004 968 Q CA 2.117 57.939 55.803 0.031 0.000 0.889 968 Q CB -0.819 27.931 28.738 0.020 0.000 0.949 968 Q HN 1.008 nan 8.270 nan 0.000 0.418 969 Q N -0.020 119.795 119.800 0.026 0.000 2.541 969 Q HA -0.025 4.315 4.340 -0.000 0.000 0.215 969 Q C 1.193 177.032 176.000 -0.270 0.000 0.977 969 Q CA 1.375 57.146 55.803 -0.054 0.000 0.934 969 Q CB -0.162 28.618 28.738 0.071 0.000 0.988 969 Q HN 0.169 nan 8.270 nan 0.000 0.521 970 T N -0.454 113.986 114.554 -0.190 0.000 3.067 970 T HA 0.105 4.455 4.350 -0.000 0.000 0.257 970 T C -0.191 174.094 174.700 -0.692 0.000 1.105 970 T CA 0.472 62.319 62.100 -0.422 0.000 1.104 970 T CB 0.045 68.640 68.868 -0.454 0.000 0.925 970 T HN 0.352 nan 8.240 nan 0.000 0.498 971 F N 0.384 120.107 119.950 -0.377 0.000 2.791 971 F HA 0.328 4.855 4.527 -0.000 0.000 0.316 971 F C 0.360 176.089 175.800 -0.119 0.000 1.134 971 F CA -1.199 56.650 58.000 -0.251 0.000 1.222 971 F CB -0.251 38.622 39.000 -0.212 0.000 1.034 971 F HN 0.117 nan 8.300 nan 0.000 0.516 972 H N 0.710 119.803 119.070 0.037 0.000 2.355 972 H HA -0.194 4.362 4.556 -0.000 0.000 0.324 972 H C 0.708 176.036 175.328 0.001 0.000 1.015 972 H CA 0.491 56.546 56.048 0.012 0.000 1.101 972 H CB -1.205 28.552 29.762 -0.008 0.000 1.555 972 H HN 0.320 nan 8.280 nan 0.000 0.386 973 I N 2.936 123.544 120.570 0.062 0.000 2.664 973 I HA -0.103 4.067 4.170 -0.000 0.000 0.284 973 I C 1.037 177.065 176.117 -0.149 0.000 1.154 973 I CA 0.458 61.738 61.300 -0.033 0.000 1.402 973 I CB 0.347 38.301 38.000 -0.076 0.000 1.395 973 I HN 0.245 nan 8.210 nan 0.000 0.545 974 D N 6.923 127.265 120.400 -0.097 0.000 2.295 974 D HA 0.028 4.668 4.640 -0.000 0.000 0.248 974 D C 0.681 176.914 176.300 -0.112 0.000 1.154 974 D CA -0.382 53.561 54.000 -0.095 0.000 0.857 974 D CB 0.885 41.679 40.800 -0.010 0.000 1.117 974 D HN 0.482 nan 8.370 nan 0.000 0.468 975 H N 1.596 120.691 119.070 0.042 0.000 2.562 975 H HA -0.045 4.511 4.556 -0.000 0.000 0.272 975 H C 1.466 176.804 175.328 0.016 0.000 1.019 975 H CA 1.083 57.149 56.048 0.029 0.000 1.160 975 H CB 0.004 29.784 29.762 0.031 0.000 1.334 975 H HN 0.650 nan 8.280 nan 0.000 0.611 976 T N -1.910 112.699 114.554 0.093 0.000 2.967 976 T HA 0.040 4.390 4.350 -0.000 0.000 0.238 976 T C 1.111 175.830 174.700 0.033 0.000 1.024 976 T CA -0.245 61.889 62.100 0.058 0.000 1.234 976 T CB 0.472 69.366 68.868 0.043 0.000 0.931 976 T HN 0.029 nan 8.240 nan 0.000 0.417 977 K N 2.872 123.284 120.400 0.020 0.000 2.286 977 K HA 0.259 4.579 4.320 -0.000 0.000 0.256 977 K C -2.240 174.364 176.600 0.005 0.000 0.999 977 K CA -1.378 54.915 56.287 0.009 0.000 0.908 977 K CB 0.011 32.514 32.500 0.005 0.000 0.981 977 K HN 0.369 nan 8.250 nan 0.000 0.500 978 P HA 0.022 nan 4.420 nan 0.000 0.278 978 P C -0.291 177.000 177.300 -0.015 0.000 1.258 978 P CA -0.374 62.721 63.100 -0.009 0.000 0.811 978 P CB 1.383 33.076 31.700 -0.012 0.000 1.063 979 S N -0.027 115.658 115.700 -0.024 0.000 2.562 979 S HA 0.130 4.600 4.470 -0.000 0.000 0.256 979 S C 0.367 174.944 174.600 -0.038 0.000 1.248 979 S CA 0.316 58.495 58.200 -0.035 0.000 0.988 979 S CB -0.337 62.833 63.200 -0.051 0.000 1.035 979 S HN 0.691 nan 8.310 nan 0.000 0.548 980 D N 0.132 120.502 120.400 -0.050 0.000 2.969 980 D HA 0.145 4.785 4.640 -0.000 0.000 0.317 980 D C -0.735 175.527 176.300 -0.064 0.000 1.650 980 D CA -0.192 53.780 54.000 -0.046 0.000 0.789 980 D CB -1.173 39.609 40.800 -0.030 0.000 1.277 980 D HN 0.360 nan 8.370 nan 0.000 0.463 981 L N 1.022 122.188 121.223 -0.095 0.000 2.289 981 L HA 0.442 4.782 4.340 -0.000 0.000 0.285 981 L C 0.521 177.324 176.870 -0.112 0.000 1.049 981 L CA -0.518 54.242 54.840 -0.134 0.000 0.804 981 L CB 1.570 43.488 42.059 -0.235 0.000 1.195 981 L HN -0.207 nan 8.230 nan 0.000 0.428 982 T N 2.382 116.880 114.554 -0.094 0.000 2.898 982 T HA 0.210 4.560 4.350 -0.000 0.000 0.301 982 T C 1.675 176.319 174.700 -0.094 0.000 1.049 982 T CA -0.301 61.756 62.100 -0.072 0.000 1.095 982 T CB 1.374 70.212 68.868 -0.050 0.000 0.976 982 T HN 0.437 nan 8.240 nan 0.000 0.539 983 I N 1.100 121.625 120.570 -0.075 0.000 2.361 983 I HA -0.168 4.002 4.170 -0.000 0.000 0.251 983 I C 2.632 178.707 176.117 -0.070 0.000 1.133 983 I CA 1.290 62.542 61.300 -0.079 0.000 1.413 983 I CB -0.270 37.698 38.000 -0.054 0.000 1.073 983 I HN 0.691 nan 8.210 nan 0.000 0.424 984 K N 0.611 120.981 120.400 -0.050 0.000 2.032 984 K HA -0.226 4.094 4.320 -0.000 0.000 0.209 984 K C 1.741 178.317 176.600 -0.040 0.000 1.048 984 K CA 1.697 57.964 56.287 -0.034 0.000 0.927 984 K CB -0.219 32.267 32.500 -0.023 0.000 0.712 984 K HN 0.254 nan 8.250 nan 0.000 0.441 985 D N 0.935 121.298 120.400 -0.062 0.000 2.154 985 D HA -0.211 4.429 4.640 -0.000 0.000 0.190 985 D C 1.894 178.138 176.300 -0.094 0.000 1.003 985 D CA 1.290 55.248 54.000 -0.070 0.000 0.849 985 D CB -0.262 40.470 40.800 -0.113 0.000 0.942 985 D HN 0.174 nan 8.370 nan 0.000 0.446 986 I N 0.337 120.780 120.570 -0.212 0.000 2.055 986 I HA -0.251 3.919 4.170 -0.000 0.000 0.228 986 I C 2.544 178.655 176.117 -0.011 0.000 1.050 986 I CA 0.608 61.749 61.300 -0.266 0.000 1.326 986 I CB -0.607 37.196 38.000 -0.327 0.000 1.077 986 I HN -0.124 nan 8.210 nan 0.000 0.392 987 V N 1.269 121.172 119.914 -0.018 0.000 2.439 987 V HA -0.295 3.825 4.120 -0.000 0.000 0.253 987 V C 2.225 178.338 176.094 0.033 0.000 1.074 987 V CA 1.712 64.025 62.300 0.022 0.000 1.076 987 V CB -0.685 31.143 31.823 0.009 0.000 0.664 987 V HN 0.398 nan 8.190 nan 0.000 0.461 988 L N -0.212 121.026 121.223 0.025 0.000 2.554 988 L HA 0.103 4.443 4.340 -0.000 0.000 0.226 988 L C 2.203 179.102 176.870 0.048 0.000 1.137 988 L CA 0.898 55.754 54.840 0.028 0.000 0.863 988 L CB -0.385 41.683 42.059 0.016 0.000 0.985 988 L HN 0.469 nan 8.230 nan 0.000 0.451 989 G N -1.307 107.549 108.800 0.094 0.000 2.651 989 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.207 989 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.207 989 G C 1.453 176.410 174.900 0.095 0.000 1.131 989 G CA 0.160 45.334 45.100 0.124 0.000 0.816 989 G HN 0.061 nan 8.290 nan 0.000 0.534 990 V N 1.003 120.996 119.914 0.132 0.000 2.332 990 V HA -0.188 3.932 4.120 -0.000 0.000 0.248 990 V C 2.708 178.806 176.094 0.005 0.000 1.055 990 V CA 2.325 64.665 62.300 0.068 0.000 1.038 990 V CB -0.383 31.495 31.823 0.092 0.000 0.651 990 V HN 0.305 nan 8.190 nan 0.000 0.450 991 K N -0.369 120.039 120.400 0.015 0.000 2.002 991 K HA -0.201 4.119 4.320 -0.000 0.000 0.209 991 K C 1.915 178.504 176.600 -0.018 0.000 1.048 991 K CA 1.680 57.963 56.287 -0.007 0.000 0.930 991 K CB -0.280 32.221 32.500 0.002 0.000 0.714 991 K HN 0.386 nan 8.250 nan 0.000 0.438 992 D N 0.736 121.132 120.400 -0.006 0.000 2.403 992 D HA -0.125 4.515 4.640 -0.000 0.000 0.227 992 D C 1.542 177.821 176.300 -0.036 0.000 0.995 992 D CA 0.468 54.460 54.000 -0.014 0.000 0.928 992 D CB 0.254 41.054 40.800 0.001 0.000 0.887 992 D HN 0.113 nan 8.370 nan 0.000 0.529 993 L N 0.592 121.785 121.223 -0.050 0.000 2.116 993 L HA -0.048 4.292 4.340 -0.000 0.000 0.200 993 L C 2.151 178.958 176.870 -0.104 0.000 1.084 993 L CA 1.345 56.134 54.840 -0.084 0.000 0.766 993 L CB -0.739 41.258 42.059 -0.105 0.000 0.930 993 L HN -0.162 nan 8.230 nan 0.000 0.453 994 Q N -0.141 119.597 119.800 -0.103 0.000 2.182 994 Q HA -0.289 4.051 4.340 -0.000 0.000 0.213 994 Q C 1.963 177.898 176.000 -0.110 0.000 1.000 994 Q CA 2.009 57.743 55.803 -0.115 0.000 0.889 994 Q CB -0.408 28.276 28.738 -0.089 0.000 0.932 994 Q HN 0.538 nan 8.270 nan 0.000 0.415 995 E N 0.514 120.667 120.200 -0.078 0.000 2.130 995 E HA -0.140 4.210 4.350 -0.000 0.000 0.196 995 E C 1.212 177.769 176.600 -0.072 0.000 0.998 995 E CA 0.910 57.273 56.400 -0.062 0.000 0.806 995 E CB -0.237 29.438 29.700 -0.042 0.000 0.738 995 E HN 0.393 nan 8.360 nan 0.000 0.459 996 N N 0.233 118.879 118.700 -0.089 0.000 2.314 996 N HA 0.042 4.782 4.740 -0.000 0.000 0.200 996 N C 0.176 175.608 175.510 -0.131 0.000 1.135 996 N CA 0.060 53.059 53.050 -0.085 0.000 0.835 996 N CB 0.464 38.911 38.487 -0.066 0.000 0.989 996 N HN 0.141 nan 8.380 nan 0.000 0.478 997 L N 1.804 122.886 121.223 -0.235 0.000 2.648 997 L HA 0.258 4.598 4.340 -0.000 0.000 0.238 997 L C -0.437 176.305 176.870 -0.213 0.000 1.316 997 L CA -0.358 54.179 54.840 -0.505 0.000 1.241 997 L CB -0.464 41.037 42.059 -0.930 0.000 1.499 997 L HN -0.154 nan 8.230 nan 0.000 0.411 998 L N 0.236 121.454 121.223 -0.008 0.000 2.360 998 L HA 0.112 4.452 4.340 -0.000 0.000 0.276 998 L C 1.061 178.035 176.870 0.173 0.000 1.121 998 L CA 0.201 55.083 54.840 0.071 0.000 0.845 998 L CB 1.043 43.122 42.059 0.034 0.000 1.143 998 L HN 0.063 nan 8.230 nan 0.000 0.452 999 V N 3.180 123.188 119.914 0.156 0.000 2.627 999 V HA 0.193 4.313 4.120 -0.000 0.000 0.239 999 V C 0.610 176.750 176.094 0.076 0.000 1.077 999 V CA 0.380 62.757 62.300 0.129 0.000 1.103 999 V CB 0.192 32.094 31.823 0.133 0.000 0.802 999 V HN 0.472 nan 8.190 nan 0.000 0.482 1000 L N -0.248 121.017 121.223 0.070 0.000 2.334 1000 L HA 0.469 4.809 4.340 -0.000 0.000 0.272 1000 L C 0.996 177.892 176.870 0.044 0.000 1.020 1000 L CA -0.204 54.671 54.840 0.059 0.000 0.812 1000 L CB 1.914 44.008 42.059 0.059 0.000 1.264 1000 L HN 0.029 nan 8.230 nan 0.000 0.439 1001 R N 0.807 121.330 120.500 0.037 0.000 2.344 1001 R HA 0.189 4.529 4.340 -0.000 0.000 0.209 1001 R C 0.730 177.041 176.300 0.018 0.000 0.886 1001 R CA 0.088 56.202 56.100 0.024 0.000 1.040 1001 R CB 0.535 30.846 30.300 0.017 0.000 1.114 1001 R HN 0.834 nan 8.270 nan 0.000 0.547 1002 G N 1.772 110.585 108.800 0.023 0.000 2.983 1002 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.234 1002 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.234 1002 G C 0.133 175.038 174.900 0.009 0.000 0.734 1002 G CA 0.305 45.416 45.100 0.017 0.000 1.049 1002 G HN 0.154 nan 8.290 nan 0.000 0.348 1003 K N 0.531 120.936 120.400 0.007 0.000 2.493 1003 K HA 0.182 4.502 4.320 -0.000 0.000 0.207 1003 K C 0.821 177.423 176.600 0.002 0.000 1.033 1003 K CA 0.184 56.473 56.287 0.003 0.000 1.161 1003 K CB -0.153 32.349 32.500 0.002 0.000 0.873 1003 K HN 0.807 nan 8.250 nan 0.000 0.491 1004 N N -2.590 116.112 118.700 0.002 0.000 3.379 1004 N HA 0.166 4.906 4.740 -0.000 0.000 0.350 1004 N C 0.551 176.059 175.510 -0.003 0.000 1.553 1004 N CA -0.662 52.388 53.050 -0.000 0.000 0.712 1004 N CB 0.560 39.047 38.487 -0.000 0.000 1.880 1004 N HN -0.143 nan 8.380 nan 0.000 0.648 1005 E N 0.043 120.240 120.200 -0.006 0.000 2.035 1005 E HA 0.261 4.611 4.350 -0.000 0.000 0.191 1005 E C 1.580 178.171 176.600 -0.013 0.000 0.966 1005 E CA 0.705 57.100 56.400 -0.009 0.000 0.823 1005 E CB -0.479 29.215 29.700 -0.010 0.000 0.791 1005 E HN 0.574 nan 8.360 nan 0.000 0.459 1006 I N 1.005 121.564 120.570 -0.019 0.000 2.231 1006 I HA -0.348 3.822 4.170 -0.000 0.000 0.251 1006 I C 1.867 177.966 176.117 -0.031 0.000 1.076 1006 I CA 1.030 62.311 61.300 -0.031 0.000 1.347 1006 I CB -0.227 37.750 38.000 -0.038 0.000 1.038 1006 I HN 0.337 nan 8.210 nan 0.000 0.429 1007 I N -0.481 120.080 120.570 -0.015 0.000 2.368 1007 I HA -0.175 3.995 4.170 -0.000 0.000 0.238 1007 I C 2.249 178.366 176.117 0.000 0.000 1.076 1007 I CA 1.002 62.300 61.300 -0.004 0.000 1.397 1007 I CB -1.193 36.813 38.000 0.010 0.000 1.141 1007 I HN 0.260 nan 8.210 nan 0.000 0.430 1008 Q N 0.955 120.756 119.800 0.001 0.000 2.585 1008 Q HA -0.203 4.137 4.340 -0.000 0.000 0.219 1008 Q C 1.549 177.548 176.000 -0.002 0.000 0.984 1008 Q CA 0.872 56.675 55.803 0.001 0.000 0.915 1008 Q CB -0.475 28.263 28.738 -0.001 0.000 0.967 1008 Q HN 0.485 nan 8.270 nan 0.000 0.530 1009 N N -0.627 118.070 118.700 -0.006 0.000 2.439 1009 N HA 0.033 4.773 4.740 -0.000 0.000 0.176 1009 N C 1.366 176.872 175.510 -0.007 0.000 1.029 1009 N CA 0.832 53.876 53.050 -0.009 0.000 0.886 1009 N CB 0.271 38.748 38.487 -0.016 0.000 1.057 1009 N HN 0.147 nan 8.380 nan 0.000 0.437 1010 A N 0.971 123.785 122.820 -0.009 0.000 2.015 1010 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 1010 A C 2.081 179.675 177.584 0.017 0.000 1.163 1010 A CA 1.399 53.434 52.037 -0.003 0.000 0.646 1010 A CB -0.497 18.499 19.000 -0.006 0.000 0.806 1010 A HN 0.378 nan 8.150 nan 0.000 0.448 1011 Q N 0.624 120.435 119.800 0.018 0.000 1.927 1011 Q HA -0.227 4.113 4.340 -0.000 0.000 0.210 1011 Q C 2.061 178.075 176.000 0.023 0.000 1.001 1011 Q CA 2.478 58.297 55.803 0.027 0.000 0.862 1011 Q CB -0.515 28.234 28.738 0.019 0.000 0.934 1011 Q HN 0.624 nan 8.270 nan 0.000 0.420 1012 R N 0.482 120.987 120.500 0.008 0.000 2.178 1012 R HA -0.212 4.128 4.340 -0.000 0.000 0.257 1012 R C 1.961 178.264 176.300 0.005 0.000 1.163 1012 R CA 1.579 57.679 56.100 -0.001 0.000 0.981 1012 R CB -0.693 29.603 30.300 -0.007 0.000 0.878 1012 R HN 0.535 nan 8.270 nan 0.000 0.454 1013 D N 0.816 121.224 120.400 0.014 0.000 2.088 1013 D HA -0.138 4.502 4.640 -0.000 0.000 0.196 1013 D C 1.891 178.209 176.300 0.030 0.000 0.983 1013 D CA 1.579 55.592 54.000 0.021 0.000 0.846 1013 D CB -0.615 40.198 40.800 0.021 0.000 0.992 1013 D HN 0.237 nan 8.370 nan 0.000 0.448 1014 A N 0.625 123.469 122.820 0.040 0.000 2.214 1014 A HA -0.158 4.162 4.320 -0.000 0.000 0.221 1014 A C 2.338 179.970 177.584 0.081 0.000 1.167 1014 A CA 1.439 53.507 52.037 0.053 0.000 0.670 1014 A CB -0.467 18.570 19.000 0.062 0.000 0.797 1014 A HN 0.199 nan 8.150 nan 0.000 0.477 1015 V N -1.787 118.174 119.914 0.079 0.000 2.690 1015 V HA -0.114 4.006 4.120 -0.000 0.000 0.240 1015 V C 2.322 178.473 176.094 0.096 0.000 1.078 1015 V CA 1.541 63.914 62.300 0.122 0.000 1.102 1015 V CB -1.321 30.550 31.823 0.080 0.000 0.800 1015 V HN 0.552 nan 8.190 nan 0.000 0.479 1016 T N 1.923 116.481 114.554 0.007 0.000 2.453 1016 T HA -0.431 3.919 4.350 -0.000 0.000 0.218 1016 T C 1.762 176.394 174.700 -0.113 0.000 1.437 1016 T CA 2.677 64.719 62.100 -0.096 0.000 1.049 1016 T CB -1.019 67.763 68.868 -0.143 0.000 0.804 1016 T HN 0.292 nan 8.240 nan 0.000 0.463 1017 L N 0.560 121.755 121.223 -0.048 0.000 2.013 1017 L HA -0.037 4.303 4.340 -0.000 0.000 0.212 1017 L C 2.103 179.017 176.870 0.073 0.000 1.073 1017 L CA 1.816 56.654 54.840 -0.005 0.000 0.753 1017 L CB -1.334 40.766 42.059 0.069 0.000 0.890 1017 L HN 0.333 nan 8.230 nan 0.000 0.432 1018 F N 0.179 120.122 119.950 -0.011 0.000 2.025 1018 F HA -0.321 4.206 4.527 -0.000 0.000 0.297 1018 F C 2.670 178.455 175.800 -0.025 0.000 1.132 1018 F CA 1.884 59.896 58.000 0.020 0.000 1.191 1018 F CB -1.212 37.842 39.000 0.091 0.000 0.963 1018 F HN 0.274 nan 8.300 nan 0.000 0.481 1019 C N 0.345 119.572 119.300 -0.122 0.000 2.363 1019 C HA -0.353 4.107 4.460 -0.000 0.000 0.274 1019 C C 3.060 177.899 174.990 -0.251 0.000 1.183 1019 C CA 1.137 59.996 59.018 -0.265 0.000 1.771 1019 C CB -1.941 25.713 27.740 -0.144 0.000 2.059 1019 C HN 0.754 nan 8.230 nan 0.000 0.455 1020 C N 0.496 119.684 119.300 -0.187 0.000 2.363 1020 C HA -0.224 4.236 4.460 -0.000 0.000 0.274 1020 C C 2.541 177.452 174.990 -0.130 0.000 1.183 1020 C CA 1.696 60.623 59.018 -0.152 0.000 1.771 1020 C CB -1.810 25.840 27.740 -0.150 0.000 2.059 1020 C HN 0.717 nan 8.230 nan 0.000 0.455 1021 L N 0.501 121.632 121.223 -0.152 0.000 2.079 1021 L HA -0.085 4.255 4.340 -0.000 0.000 0.210 1021 L C 2.243 178.982 176.870 -0.219 0.000 1.081 1021 L CA 1.731 56.487 54.840 -0.140 0.000 0.752 1021 L CB -0.876 41.115 42.059 -0.113 0.000 0.896 1021 L HN 0.305 nan 8.230 nan 0.000 0.433 1022 L N 0.074 121.049 121.223 -0.412 0.000 1.976 1022 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 1022 L C 2.744 179.511 176.870 -0.171 0.000 1.071 1022 L CA 1.847 56.452 54.840 -0.393 0.000 0.746 1022 L CB -0.641 41.093 42.059 -0.543 0.000 0.890 1022 L HN 0.251 nan 8.230 nan 0.000 0.432 1023 R N -1.000 119.420 120.500 -0.133 0.000 2.170 1023 R HA -0.168 4.172 4.340 -0.000 0.000 0.242 1023 R C 2.501 178.828 176.300 0.045 0.000 1.145 1023 R CA 1.289 57.367 56.100 -0.037 0.000 0.984 1023 R CB -0.649 29.627 30.300 -0.040 0.000 0.869 1023 R HN 0.531 nan 8.270 nan 0.000 0.455 1024 S N 0.360 116.088 115.700 0.047 0.000 2.387 1024 S HA -0.048 4.422 4.470 -0.000 0.000 0.226 1024 S C 1.687 176.388 174.600 0.168 0.000 1.026 1024 S CA 0.709 59.017 58.200 0.181 0.000 0.972 1024 S CB 0.164 63.429 63.200 0.109 0.000 0.814 1024 S HN 0.171 nan 8.310 nan 0.000 0.477 1025 R N 0.534 121.080 120.500 0.077 0.000 2.280 1025 R HA 0.355 4.694 4.340 -0.000 0.000 0.195 1025 R C 0.240 176.633 176.300 0.155 0.000 0.935 1025 R CA 0.220 56.389 56.100 0.114 0.000 1.033 1025 R CB -0.440 29.894 30.300 0.058 0.000 0.964 1025 R HN 0.428 nan 8.270 nan 0.000 0.489 1026 L N 1.058 122.339 121.223 0.097 0.000 2.892 1026 L HA 0.484 4.824 4.340 -0.000 0.000 0.251 1026 L C -0.301 176.629 176.870 0.101 0.000 1.339 1026 L CA -0.611 54.319 54.840 0.150 0.000 0.900 1026 L CB 1.080 43.217 42.059 0.130 0.000 1.246 1026 L HN -0.147 nan 8.230 nan 0.000 0.524 1027 A N -0.366 122.471 122.820 0.028 0.000 2.260 1027 A HA 0.525 4.845 4.320 -0.000 0.000 0.314 1027 A C 1.280 178.818 177.584 -0.078 0.000 1.257 1027 A CA -0.251 51.769 52.037 -0.028 0.000 0.871 1027 A CB 0.732 19.657 19.000 -0.126 0.000 1.166 1027 A HN 0.446 nan 8.150 nan 0.000 0.522 1028 T N 2.148 116.675 114.554 -0.045 0.000 2.442 1028 T HA -0.313 4.037 4.350 -0.000 0.000 0.237 1028 T C 2.165 176.792 174.700 -0.121 0.000 1.361 1028 T CA 2.104 64.158 62.100 -0.076 0.000 1.127 1028 T CB -0.382 68.454 68.868 -0.054 0.000 0.845 1028 T HN 0.704 nan 8.240 nan 0.000 0.433 1029 R N 0.714 121.128 120.500 -0.142 0.000 2.162 1029 R HA -0.154 4.186 4.340 -0.000 0.000 0.245 1029 R C 2.650 178.797 176.300 -0.256 0.000 1.129 1029 R CA 2.083 58.071 56.100 -0.187 0.000 0.940 1029 R CB -0.727 29.448 30.300 -0.209 0.000 0.875 1029 R HN 0.441 nan 8.270 nan 0.000 0.437 1030 R N -0.340 119.944 120.500 -0.359 0.000 2.103 1030 R HA -0.145 4.195 4.340 -0.000 0.000 0.234 1030 R C 2.305 178.339 176.300 -0.443 0.000 1.132 1030 R CA 2.092 57.903 56.100 -0.482 0.000 0.925 1030 R CB -0.588 29.410 30.300 -0.503 0.000 0.842 1030 R HN 0.091 nan 8.270 nan 0.000 0.430 1031 V N 0.957 120.785 119.914 -0.142 0.000 2.511 1031 V HA -0.276 3.844 4.120 -0.000 0.000 0.257 1031 V C 1.925 178.040 176.094 0.034 0.000 1.088 1031 V CA 1.793 64.168 62.300 0.125 0.000 1.098 1031 V CB -0.481 31.416 31.823 0.123 0.000 0.674 1031 V HN 0.312 nan 8.190 nan 0.000 0.470 1032 L N -1.738 119.431 121.223 -0.091 0.000 2.500 1032 L HA 0.137 4.477 4.340 -0.000 0.000 0.219 1032 L C 2.297 179.118 176.870 -0.082 0.000 1.057 1032 L CA 0.836 55.632 54.840 -0.073 0.000 0.854 1032 L CB -0.286 41.720 42.059 -0.088 0.000 1.078 1032 L HN 0.170 nan 8.230 nan 0.000 0.480 1033 Q N 0.062 119.776 119.800 -0.142 0.000 2.339 1033 Q HA -0.042 4.298 4.340 -0.000 0.000 0.205 1033 Q C 1.735 177.642 176.000 -0.154 0.000 0.925 1033 Q CA 0.801 56.526 55.803 -0.130 0.000 0.898 1033 Q CB 0.509 29.159 28.738 -0.146 0.000 1.013 1033 Q HN 0.471 nan 8.270 nan 0.000 0.504 1034 E N -0.579 119.450 120.200 -0.286 0.000 2.079 1034 E HA -0.035 4.315 4.350 -0.000 0.000 0.191 1034 E C -0.502 175.995 176.600 -0.171 0.000 0.961 1034 E CA 0.437 56.637 56.400 -0.334 0.000 0.823 1034 E CB 0.361 29.696 29.700 -0.608 0.000 0.789 1034 E HN 0.318 nan 8.360 nan 0.000 0.459 1035 Y N 0.045 120.359 120.300 0.024 0.000 2.805 1035 Y HA 0.420 4.970 4.550 -0.000 0.000 0.339 1035 Y C -0.337 175.587 175.900 0.041 0.000 1.012 1035 Y CA -1.135 57.003 58.100 0.063 0.000 1.262 1035 Y CB 0.269 38.756 38.460 0.044 0.000 1.100 1035 Y HN -0.287 nan 8.280 nan 0.000 0.559 1036 R N 3.221 123.828 120.500 0.179 0.000 4.134 1036 R HA -0.015 4.325 4.340 -0.000 0.000 0.157 1036 R C -0.295 176.034 176.300 0.048 0.000 1.876 1036 R CA 0.274 56.424 56.100 0.082 0.000 1.334 1036 R CB -0.855 29.475 30.300 0.051 0.000 1.277 1036 R HN 0.746 nan 8.270 nan 0.000 0.721 1037 L N 1.139 122.414 121.223 0.087 0.000 2.416 1037 L HA 0.060 4.400 4.340 -0.000 0.000 0.272 1037 L C 1.616 178.477 176.870 -0.016 0.000 1.161 1037 L CA 0.086 54.950 54.840 0.041 0.000 0.845 1037 L CB 0.557 42.699 42.059 0.138 0.000 1.119 1037 L HN 0.330 nan 8.230 nan 0.000 0.464 1038 T N -0.450 114.066 114.554 -0.063 0.000 2.793 1038 T HA 0.111 4.461 4.350 -0.000 0.000 0.299 1038 T C 0.945 175.616 174.700 -0.048 0.000 1.038 1038 T CA -0.502 61.559 62.100 -0.065 0.000 0.948 1038 T CB 1.064 69.885 68.868 -0.078 0.000 1.231 1038 T HN 0.644 nan 8.240 nan 0.000 0.538 1039 K N -0.295 120.083 120.400 -0.037 0.000 2.155 1039 K HA -0.024 4.296 4.320 -0.000 0.000 0.203 1039 K C 2.412 179.030 176.600 0.031 0.000 1.052 1039 K CA 1.161 57.450 56.287 0.004 0.000 0.948 1039 K CB -0.283 32.216 32.500 -0.001 0.000 0.728 1039 K HN 0.698 nan 8.250 nan 0.000 0.448 1040 Q N 0.153 119.923 119.800 -0.049 0.000 1.942 1040 Q HA -0.151 4.189 4.340 -0.000 0.000 0.203 1040 Q C 2.005 177.823 176.000 -0.303 0.000 0.987 1040 Q CA 1.936 57.672 55.803 -0.112 0.000 0.844 1040 Q CB -0.431 28.247 28.738 -0.099 0.000 0.911 1040 Q HN 0.398 nan 8.270 nan 0.000 0.423 1041 A N 0.651 123.100 122.820 -0.618 0.000 1.882 1041 A HA -0.302 4.017 4.320 -0.000 0.000 0.220 1041 A C 1.931 179.437 177.584 -0.129 0.000 1.253 1041 A CA 2.046 53.662 52.037 -0.702 0.000 0.664 1041 A CB -1.536 17.202 19.000 -0.437 0.000 0.838 1041 A HN 0.631 nan 8.150 nan 0.000 0.460 1042 F N 0.961 120.823 119.950 -0.148 0.000 2.027 1042 F HA -0.263 4.264 4.527 -0.000 0.000 0.297 1042 F C 2.102 177.902 175.800 -0.000 0.000 1.129 1042 F CA 2.547 60.515 58.000 -0.052 0.000 1.195 1042 F CB -0.464 38.507 39.000 -0.049 0.000 0.960 1042 F HN 0.325 nan 8.300 nan 0.000 0.485 1043 D N -1.257 119.238 120.400 0.159 0.000 2.280 1043 D HA -0.259 4.381 4.640 -0.000 0.000 0.206 1043 D C 1.748 178.085 176.300 0.061 0.000 0.988 1043 D CA 1.395 55.443 54.000 0.079 0.000 0.886 1043 D CB -0.462 40.413 40.800 0.126 0.000 0.914 1043 D HN 0.529 nan 8.370 nan 0.000 0.473 1044 W N 0.889 122.110 121.300 -0.131 0.000 2.560 1044 W HA -0.100 4.560 4.660 -0.000 0.000 0.303 1044 W C 2.235 178.671 176.519 -0.139 0.000 1.151 1044 W CA 0.515 57.808 57.345 -0.087 0.000 1.426 1044 W CB -0.547 28.884 29.460 -0.048 0.000 1.135 1044 W HN -0.297 nan 8.180 nan 0.000 0.522 1045 V N 2.018 121.933 119.914 0.002 0.000 2.317 1045 V HA -0.394 3.726 4.120 -0.000 0.000 0.251 1045 V C 2.335 178.212 176.094 -0.361 0.000 1.065 1045 V CA 2.157 64.314 62.300 -0.238 0.000 1.049 1045 V CB -1.312 30.374 31.823 -0.229 0.000 0.651 1045 V HN 0.278 nan 8.190 nan 0.000 0.450 1046 L N -0.170 120.816 121.223 -0.396 0.000 1.994 1046 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 1046 L C 2.768 179.491 176.870 -0.246 0.000 1.071 1046 L CA 2.032 56.663 54.840 -0.348 0.000 0.745 1046 L CB -0.947 40.896 42.059 -0.360 0.000 0.892 1046 L HN 0.470 nan 8.230 nan 0.000 0.431 1047 S N 0.291 115.858 115.700 -0.222 0.000 2.359 1047 S HA -0.246 4.224 4.470 -0.000 0.000 0.222 1047 S C 1.842 176.296 174.600 -0.243 0.000 1.038 1047 S CA 1.847 59.933 58.200 -0.190 0.000 1.051 1047 S CB -0.331 62.775 63.200 -0.157 0.000 0.944 1047 S HN 0.405 nan 8.310 nan 0.000 0.433 1048 N N 1.147 119.604 118.700 -0.405 0.000 2.011 1048 N HA -0.130 4.610 4.740 -0.000 0.000 0.199 1048 N C 1.940 177.317 175.510 -0.222 0.000 1.047 1048 N CA 2.024 54.835 53.050 -0.399 0.000 0.863 1048 N CB -0.634 37.461 38.487 -0.653 0.000 1.056 1048 N HN 0.481 nan 8.380 nan 0.000 0.427 1049 I N 1.458 121.909 120.570 -0.199 0.000 2.113 1049 I HA -0.339 3.831 4.170 -0.000 0.000 0.242 1049 I C 2.636 178.750 176.117 -0.004 0.000 1.064 1049 I CA 1.537 62.798 61.300 -0.065 0.000 1.320 1049 I CB -0.519 37.444 38.000 -0.061 0.000 1.028 1049 I HN 0.353 nan 8.210 nan 0.000 0.406 1050 E N 1.446 121.608 120.200 -0.064 0.000 2.033 1050 E HA -0.280 4.070 4.350 -0.000 0.000 0.199 1050 E C 2.215 178.825 176.600 0.017 0.000 1.011 1050 E CA 1.817 58.192 56.400 -0.041 0.000 0.815 1050 E CB -0.165 29.489 29.700 -0.076 0.000 0.755 1050 E HN 0.466 nan 8.360 nan 0.000 0.451 1051 A N 0.623 123.423 122.820 -0.034 0.000 1.877 1051 A HA -0.238 4.082 4.320 -0.000 0.000 0.216 1051 A C 2.207 179.777 177.584 -0.023 0.000 1.186 1051 A CA 1.739 53.758 52.037 -0.030 0.000 0.620 1051 A CB -0.757 18.204 19.000 -0.065 0.000 0.822 1051 A HN 0.449 nan 8.150 nan 0.000 0.443 1052 Q N -2.086 117.692 119.800 -0.037 0.000 2.297 1052 Q HA -0.171 4.169 4.340 -0.000 0.000 0.208 1052 Q C 1.683 177.661 176.000 -0.037 0.000 0.981 1052 Q CA 1.562 57.339 55.803 -0.044 0.000 0.876 1052 Q CB -0.205 28.505 28.738 -0.047 0.000 0.921 1052 Q HN 0.785 nan 8.270 nan 0.000 0.446 1053 F N -0.001 119.862 119.950 -0.145 0.000 2.094 1053 F HA -0.071 4.456 4.527 -0.000 0.000 0.291 1053 F C 1.521 177.203 175.800 -0.196 0.000 1.109 1053 F CA 0.824 58.705 58.000 -0.198 0.000 1.221 1053 F CB -0.063 38.828 39.000 -0.181 0.000 1.014 1053 F HN -0.059 nan 8.300 nan 0.000 0.473 1054 L N 0.609 121.925 121.223 0.156 0.000 2.556 1054 L HA -0.201 4.139 4.340 -0.000 0.000 0.230 1054 L C 2.188 178.963 176.870 -0.159 0.000 1.163 1054 L CA 0.924 55.777 54.840 0.021 0.000 0.819 1054 L CB -0.568 41.521 42.059 0.049 0.000 0.939 1054 L HN 0.218 nan 8.230 nan 0.000 0.452 1055 R N -1.518 118.847 120.500 -0.224 0.000 2.175 1055 R HA 0.073 4.413 4.340 -0.000 0.000 0.202 1055 R C 2.211 178.162 176.300 -0.581 0.000 1.018 1055 R CA 0.698 56.618 56.100 -0.300 0.000 1.029 1055 R CB -0.017 30.142 30.300 -0.235 0.000 0.959 1055 R HN 0.188 nan 8.270 nan 0.000 0.480 1056 S N 1.004 116.319 115.700 -0.641 0.000 2.515 1056 S HA 0.022 4.492 4.470 -0.000 0.000 0.231 1056 S C 1.137 175.459 174.600 -0.465 0.000 0.987 1056 S CA 0.113 57.895 58.200 -0.696 0.000 0.936 1056 S CB -0.057 62.852 63.200 -0.484 0.000 0.766 1056 S HN -0.024 nan 8.310 nan 0.000 0.528 1057 V N 1.730 121.364 119.914 -0.467 0.000 3.803 1057 V HA 0.014 4.134 4.120 -0.000 0.000 0.300 1057 V C 0.639 176.648 176.094 -0.143 0.000 1.111 1057 V CA -0.057 62.053 62.300 -0.318 0.000 1.189 1057 V CB 0.169 31.833 31.823 -0.265 0.000 1.118 1057 V HN 0.105 nan 8.190 nan 0.000 0.486 1058 V N 0.430 120.316 119.914 -0.046 0.000 2.483 1058 V HA 0.291 4.411 4.120 -0.000 0.000 0.295 1058 V C 0.036 176.137 176.094 0.011 0.000 1.035 1058 V CA -0.666 61.674 62.300 0.067 0.000 0.896 1058 V CB 1.261 33.186 31.823 0.170 0.000 0.986 1058 V HN 0.765 nan 8.190 nan 0.000 0.447 1059 H N 4.587 123.653 119.070 -0.006 0.000 2.944 1059 H HA 0.162 4.718 4.556 -0.000 0.000 0.278 1059 H C -2.270 173.024 175.328 -0.056 0.000 1.083 1059 H CA -1.549 54.495 56.048 -0.008 0.000 1.479 1059 H CB 1.105 30.867 29.762 0.001 0.000 1.486 1059 H HN 0.391 nan 8.280 nan 0.000 0.493 1060 P HA -0.017 nan 4.420 nan 0.000 0.258 1060 P C 0.829 177.963 177.300 -0.276 0.000 1.214 1060 P CA 0.820 63.812 63.100 -0.179 0.000 0.872 1060 P CB 0.333 31.916 31.700 -0.196 0.000 0.890 1061 G N 2.382 111.044 108.800 -0.230 0.000 3.758 1061 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.206 1061 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.206 1061 G C -0.088 174.707 174.900 -0.176 0.000 0.946 1061 G CA -0.426 44.559 45.100 -0.193 0.000 0.885 1061 G HN 0.363 nan 8.290 nan 0.000 0.392 1062 E N 1.860 121.972 120.200 -0.147 0.000 2.652 1062 E HA 0.051 4.401 4.350 -0.000 0.000 0.255 1062 E C 0.402 176.873 176.600 -0.216 0.000 0.952 1062 E CA 0.411 56.710 56.400 -0.168 0.000 0.947 1062 E CB 0.377 29.967 29.700 -0.183 0.000 0.912 1062 E HN 0.172 nan 8.360 nan 0.000 0.489 1063 M N 4.285 123.776 119.600 -0.180 0.000 3.742 1063 M HA -0.005 4.475 4.480 -0.000 0.000 0.197 1063 M C 1.217 177.411 176.300 -0.176 0.000 1.417 1063 M CA -0.148 55.047 55.300 -0.175 0.000 1.653 1063 M CB -0.767 31.749 32.600 -0.140 0.000 1.079 1063 M HN 0.270 nan 8.290 nan 0.000 0.558 1064 V N 0.758 120.526 119.914 -0.244 0.000 2.357 1064 V HA -0.319 3.801 4.120 -0.000 0.000 0.257 1064 V C 2.361 178.388 176.094 -0.112 0.000 1.082 1064 V CA 2.434 64.582 62.300 -0.253 0.000 1.078 1064 V CB -1.411 30.106 31.823 -0.509 0.000 0.663 1064 V HN 0.762 nan 8.190 nan 0.000 0.455 1065 G N -0.184 108.550 108.800 -0.110 0.000 2.587 1065 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.217 1065 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.217 1065 G C 1.634 176.478 174.900 -0.094 0.000 1.240 1065 G CA 1.442 46.492 45.100 -0.084 0.000 0.794 1065 G HN 0.361 nan 8.290 nan 0.000 0.580 1066 V N 1.055 120.902 119.914 -0.111 0.000 2.231 1066 V HA -0.219 3.901 4.120 -0.000 0.000 0.250 1066 V C 2.696 178.720 176.094 -0.117 0.000 1.058 1066 V CA 1.833 64.063 62.300 -0.117 0.000 1.022 1066 V CB -0.746 31.011 31.823 -0.109 0.000 0.640 1066 V HN 0.353 nan 8.190 nan 0.000 0.445 1067 L N 0.690 121.847 121.223 -0.109 0.000 1.978 1067 L HA -0.310 4.030 4.340 -0.000 0.000 0.235 1067 L C 2.596 179.355 176.870 -0.186 0.000 1.094 1067 L CA 3.047 57.812 54.840 -0.124 0.000 0.814 1067 L CB -1.790 40.223 42.059 -0.077 0.000 0.911 1067 L HN 0.363 nan 8.230 nan 0.000 0.442 1068 A N -0.717 122.045 122.820 -0.096 0.000 1.940 1068 A HA -0.293 4.027 4.320 -0.000 0.000 0.221 1068 A C 2.412 179.922 177.584 -0.124 0.000 1.190 1068 A CA 3.288 55.286 52.037 -0.064 0.000 0.647 1068 A CB -1.261 17.843 19.000 0.173 0.000 0.821 1068 A HN 0.779 nan 8.150 nan 0.000 0.457 1069 A N -0.811 121.941 122.820 -0.114 0.000 1.842 1069 A HA -0.291 4.029 4.320 -0.000 0.000 0.217 1069 A C 2.106 179.599 177.584 -0.151 0.000 1.206 1069 A CA 2.004 53.962 52.037 -0.131 0.000 0.630 1069 A CB -0.964 17.947 19.000 -0.149 0.000 0.839 1069 A HN 0.686 nan 8.150 nan 0.000 0.447 1070 Q N -0.419 119.284 119.800 -0.162 0.000 1.998 1070 Q HA -0.210 4.130 4.340 -0.000 0.000 0.209 1070 Q C 2.351 178.228 176.000 -0.205 0.000 1.002 1070 Q CA 1.996 57.694 55.803 -0.175 0.000 0.858 1070 Q CB -0.586 28.060 28.738 -0.153 0.000 0.932 1070 Q HN 0.629 nan 8.270 nan 0.000 0.416 1071 S N 0.549 116.095 115.700 -0.256 0.000 2.443 1071 S HA -0.215 4.255 4.470 -0.000 0.000 0.246 1071 S C 1.824 176.315 174.600 -0.181 0.000 1.058 1071 S CA 1.421 59.445 58.200 -0.293 0.000 1.028 1071 S CB -0.304 62.484 63.200 -0.686 0.000 0.821 1071 S HN 0.291 nan 8.310 nan 0.000 0.484 1072 I N 0.018 120.501 120.570 -0.145 0.000 2.681 1072 I HA 0.070 4.240 4.170 -0.000 0.000 0.247 1072 I C 2.762 178.816 176.117 -0.105 0.000 1.091 1072 I CA 0.742 61.988 61.300 -0.091 0.000 1.442 1072 I CB -0.980 36.983 38.000 -0.062 0.000 1.219 1072 I HN 0.348 nan 8.210 nan 0.000 0.451 1073 G N 0.768 109.497 108.800 -0.118 0.000 2.475 1073 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.220 1073 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.220 1073 G C 1.526 176.347 174.900 -0.131 0.000 1.125 1073 G CA 0.729 45.761 45.100 -0.114 0.000 0.755 1073 G HN 0.296 nan 8.290 nan 0.000 0.565 1074 E N 1.122 121.213 120.200 -0.182 0.000 2.012 1074 E HA -0.107 4.242 4.350 -0.000 0.000 0.197 1074 E C 0.031 176.528 176.600 -0.170 0.000 1.007 1074 E CA 1.487 57.742 56.400 -0.241 0.000 0.816 1074 E CB -0.950 28.496 29.700 -0.424 0.000 0.762 1074 E HN 0.372 nan 8.360 nan 0.000 0.451 1075 P HA -0.048 nan 4.420 nan 0.000 0.236 1075 P C 0.395 177.651 177.300 -0.072 0.000 1.172 1075 P CA 1.066 64.114 63.100 -0.087 0.000 0.759 1075 P CB -0.061 31.600 31.700 -0.065 0.000 0.843 1076 A N -0.810 121.963 122.820 -0.079 0.000 2.251 1076 A HA 0.113 4.433 4.320 -0.000 0.000 0.209 1076 A C 1.888 179.441 177.584 -0.052 0.000 1.187 1076 A CA 0.882 52.882 52.037 -0.061 0.000 0.823 1076 A CB -0.728 18.236 19.000 -0.060 0.000 0.846 1076 A HN 0.142 nan 8.150 nan 0.000 0.486 1077 T N -0.796 113.721 114.554 -0.061 0.000 3.034 1077 T HA -0.010 4.340 4.350 -0.000 0.000 0.248 1077 T C 1.686 176.361 174.700 -0.043 0.000 1.040 1077 T CA 0.421 62.491 62.100 -0.050 0.000 1.107 1077 T CB -0.005 68.828 68.868 -0.058 0.000 0.932 1077 T HN 0.357 nan 8.240 nan 0.000 0.474 1078 Q N 0.901 120.672 119.800 -0.048 0.000 2.500 1078 Q HA 0.178 4.518 4.340 -0.000 0.000 0.213 1078 Q C 0.616 176.597 176.000 -0.030 0.000 0.974 1078 Q CA 0.380 56.161 55.803 -0.036 0.000 0.918 1078 Q CB -0.450 28.267 28.738 -0.034 0.000 0.980 1078 Q HN 0.539 nan 8.270 nan 0.000 0.505 1079 M N 1.951 121.531 119.600 -0.034 0.000 2.760 1079 M HA 0.013 4.493 4.480 -0.000 0.000 0.314 1079 M C -0.375 175.910 176.300 -0.026 0.000 1.582 1079 M CA 0.550 55.832 55.300 -0.030 0.000 1.484 1079 M CB -0.186 32.394 32.600 -0.034 0.000 1.621 1079 M HN -0.215 nan 8.290 nan 0.000 0.470 1080 T N 5.245 119.785 114.554 -0.023 0.000 2.811 1080 T HA 0.577 4.927 4.350 -0.000 0.000 0.309 1080 T C 0.057 174.745 174.700 -0.020 0.000 1.005 1080 T CA -0.174 61.914 62.100 -0.021 0.000 0.955 1080 T CB 0.387 69.244 68.868 -0.019 0.000 0.970 1080 T HN 0.492 nan 8.240 nan 0.000 0.496 1093 K N 2.215 122.620 120.400 0.009 0.000 2.562 1093 K HA 0.409 4.728 4.320 -0.000 0.000 0.206 1093 K C -1.045 175.557 176.600 0.004 0.000 1.033 1093 K CA -0.281 56.007 56.287 0.002 0.000 1.029 1093 K CB 1.747 34.245 32.500 -0.002 0.000 1.393 1093 K HN -0.170 nan 8.250 nan 0.000 0.539 1094 V N 0.151 120.066 119.914 0.003 0.000 3.188 1094 V HA 0.244 4.364 4.120 -0.000 0.000 0.305 1094 V C -0.118 175.975 176.094 -0.002 0.000 1.232 1094 V CA -1.143 61.159 62.300 0.004 0.000 1.043 1094 V CB 2.388 34.217 31.823 0.011 0.000 1.068 1094 V HN 0.515 nan 8.190 nan 0.000 0.439 1095 T N 3.049 117.602 114.554 -0.001 0.000 2.792 1095 T HA 0.364 4.714 4.350 -0.000 0.000 0.286 1095 T C 0.063 174.757 174.700 -0.010 0.000 0.970 1095 T CA 0.229 62.327 62.100 -0.004 0.000 1.187 1095 T CB -0.144 68.724 68.868 0.001 0.000 0.915 1095 T HN 0.956 nan 8.240 nan 0.000 0.529 1096 S N 1.849 117.540 115.700 -0.015 0.000 2.548 1096 S HA 0.876 5.346 4.470 -0.000 0.000 0.276 1096 S C 0.127 174.711 174.600 -0.027 0.000 1.129 1096 S CA -0.278 57.908 58.200 -0.024 0.000 0.931 1096 S CB 2.141 65.327 63.200 -0.024 0.000 1.068 1096 S HN 1.421 nan 8.310 nan 0.000 0.480 1097 G N 1.213 109.991 108.800 -0.036 0.000 2.451 1097 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.208 1097 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.208 1097 G C 0.382 175.265 174.900 -0.028 0.000 1.248 1097 G CA -0.223 44.855 45.100 -0.036 0.000 0.989 1097 G HN 1.470 nan 8.290 nan 0.000 0.559 1098 V N 3.034 122.934 119.914 -0.022 0.000 2.282 1098 V HA -0.138 3.982 4.120 -0.000 0.000 0.249 1098 V C 0.876 176.970 176.094 0.001 0.000 1.057 1098 V CA 3.301 65.594 62.300 -0.012 0.000 1.032 1098 V CB -1.472 30.345 31.823 -0.010 0.000 0.645 1098 V HN 0.765 nan 8.190 nan 0.000 0.447 1099 P HA -0.189 nan 4.420 nan 0.000 0.220 1099 P C 1.519 178.828 177.300 0.015 0.000 1.148 1099 P CA 1.486 64.593 63.100 0.012 0.000 0.803 1099 P CB 0.008 31.711 31.700 0.006 0.000 0.782 1100 R N 0.857 121.358 120.500 0.002 0.000 2.061 1100 R HA -0.080 4.260 4.340 -0.000 0.000 0.230 1100 R C 2.317 178.616 176.300 -0.001 0.000 1.140 1100 R CA 1.182 57.280 56.100 -0.003 0.000 0.940 1100 R CB -1.965 28.322 30.300 -0.022 0.000 0.839 1100 R HN 0.082 nan 8.270 nan 0.000 0.429 1101 L N 1.400 122.616 121.223 -0.012 0.000 2.129 1101 L HA -0.138 4.202 4.340 -0.000 0.000 0.212 1101 L C 2.108 178.991 176.870 0.022 0.000 1.087 1101 L CA 2.116 56.948 54.840 -0.012 0.000 0.757 1101 L CB -0.742 41.303 42.059 -0.023 0.000 0.896 1101 L HN 0.377 nan 8.230 nan 0.000 0.434 1102 K N -0.323 120.100 120.400 0.037 0.000 2.002 1102 K HA -0.260 4.060 4.320 -0.000 0.000 0.209 1102 K C 2.125 178.777 176.600 0.086 0.000 1.048 1102 K CA 1.831 58.159 56.287 0.070 0.000 0.930 1102 K CB -0.274 32.270 32.500 0.074 0.000 0.714 1102 K HN 0.488 nan 8.250 nan 0.000 0.438 1103 E N 0.553 120.799 120.200 0.075 0.000 2.086 1103 E HA -0.236 4.114 4.350 -0.000 0.000 0.200 1103 E C 2.019 178.706 176.600 0.144 0.000 1.012 1103 E CA 2.056 58.514 56.400 0.097 0.000 0.812 1103 E CB -0.116 29.629 29.700 0.075 0.000 0.743 1103 E HN 0.362 nan 8.360 nan 0.000 0.453 1104 I N 0.403 121.042 120.570 0.114 0.000 2.127 1104 I HA -0.317 3.853 4.170 -0.000 0.000 0.241 1104 I C 2.363 178.607 176.117 0.213 0.000 1.075 1104 I CA 1.095 62.489 61.300 0.156 0.000 1.334 1104 I CB -0.320 37.676 38.000 -0.007 0.000 1.040 1104 I HN 0.198 nan 8.210 nan 0.000 0.405 1105 L N 0.531 121.833 121.223 0.132 0.000 2.191 1105 L HA -0.184 4.156 4.340 -0.000 0.000 0.212 1105 L C 2.040 179.003 176.870 0.155 0.000 1.103 1105 L CA 1.018 55.936 54.840 0.130 0.000 0.769 1105 L CB -0.676 41.431 42.059 0.079 0.000 0.908 1105 L HN 0.357 nan 8.230 nan 0.000 0.438 1106 N N -0.333 118.461 118.700 0.157 0.000 2.457 1106 N HA -0.033 4.707 4.740 -0.000 0.000 0.180 1106 N C 0.592 176.185 175.510 0.139 0.000 1.050 1106 N CA 0.450 53.593 53.050 0.155 0.000 0.906 1106 N CB 0.469 39.043 38.487 0.146 0.000 0.968 1106 N HN 0.010 nan 8.380 nan 0.000 0.445 1107 V N 0.479 120.490 119.914 0.162 0.000 6.216 1107 V HA -0.254 3.866 4.120 -0.000 0.000 0.313 1107 V C 0.388 176.512 176.094 0.050 0.000 0.538 1107 V CA 0.390 62.741 62.300 0.085 0.000 0.645 1107 V CB -2.509 29.329 31.823 0.025 0.000 0.287 1107 V HN 0.422 nan 8.190 nan 0.000 0.833 1108 A N 1.096 123.975 122.820 0.098 0.000 2.340 1108 A HA 0.728 5.048 4.320 -0.000 0.000 0.268 1108 A C 0.925 178.534 177.584 0.042 0.000 1.100 1108 A CA 0.335 52.412 52.037 0.067 0.000 0.803 1108 A CB 1.032 20.083 19.000 0.085 0.000 1.043 1108 A HN 0.576 nan 8.150 nan 0.000 0.488 1109 K N 1.088 121.497 120.400 0.017 0.000 2.166 1109 K HA -0.011 4.309 4.320 -0.000 0.000 0.201 1109 K C 0.210 176.821 176.600 0.018 0.000 1.052 1109 K CA 1.464 57.752 56.287 0.002 0.000 0.969 1109 K CB 0.104 32.595 32.500 -0.014 0.000 0.761 1109 K HN 0.764 nan 8.250 nan 0.000 0.459 1110 N N 3.070 121.784 118.700 0.024 0.000 3.301 1110 N HA 0.081 4.821 4.740 -0.000 0.000 0.289 1110 N C -0.490 175.040 175.510 0.033 0.000 1.343 1110 N CA -0.119 52.945 53.050 0.023 0.000 1.136 1110 N CB 0.056 38.552 38.487 0.015 0.000 1.402 1110 N HN 0.223 nan 8.380 nan 0.000 0.516 1111 M N -0.721 118.906 119.600 0.046 0.000 2.217 1111 M HA 0.193 4.673 4.480 -0.000 0.000 0.352 1111 M C 0.953 177.270 176.300 0.029 0.000 1.376 1111 M CA -0.137 55.193 55.300 0.049 0.000 1.107 1111 M CB 1.050 33.692 32.600 0.069 0.000 1.723 1111 M HN 0.019 nan 8.290 nan 0.000 0.461 1112 K N 1.243 121.657 120.400 0.024 0.000 2.077 1112 K HA -0.109 4.211 4.320 -0.000 0.000 0.213 1112 K C 0.267 176.873 176.600 0.011 0.000 1.051 1112 K CA 1.663 57.958 56.287 0.014 0.000 0.929 1112 K CB -0.306 32.200 32.500 0.011 0.000 0.715 1112 K HN 0.747 nan 8.250 nan 0.000 0.451 1113 T N 1.354 115.915 114.554 0.012 0.000 2.779 1113 T HA 0.172 4.522 4.350 -0.000 0.000 0.280 1113 T C -2.030 172.677 174.700 0.011 0.000 0.987 1113 T CA -1.414 60.691 62.100 0.008 0.000 0.966 1113 T CB 2.181 71.053 68.868 0.006 0.000 0.933 1113 T HN 0.071 nan 8.240 nan 0.000 0.442 1114 P HA 0.153 nan 4.420 nan 0.000 0.238 1114 P C 0.741 178.034 177.300 -0.011 0.000 1.153 1114 P CA 0.124 63.226 63.100 0.003 0.000 0.900 1114 P CB 0.418 32.119 31.700 0.002 0.000 1.009 1115 S N 0.217 115.912 115.700 -0.008 0.000 2.534 1115 S HA -0.093 4.377 4.470 -0.000 0.000 0.629 1115 S C -0.277 174.304 174.600 -0.031 0.000 3.350 1115 S CA 1.324 59.518 58.200 -0.010 0.000 3.558 1115 S CB -0.941 62.261 63.200 0.003 0.000 0.336 1115 S HN 0.551 nan 8.310 nan 0.000 1.787 1116 L N -1.309 119.898 121.223 -0.027 0.000 4.768 1116 L HA 0.480 4.820 4.340 -0.000 0.000 0.254 1116 L C -0.688 176.175 176.870 -0.011 0.000 1.073 1116 L CA 0.035 54.848 54.840 -0.046 0.000 1.079 1116 L CB 0.336 42.370 42.059 -0.042 0.000 1.842 1116 L HN 0.558 nan 8.230 nan 0.000 0.495 1117 T N 3.858 118.420 114.554 0.014 0.000 2.799 1117 T HA 0.765 5.115 4.350 -0.000 0.000 0.286 1117 T C -0.058 174.618 174.700 -0.039 0.000 0.973 1117 T CA -0.016 62.069 62.100 -0.026 0.000 1.035 1117 T CB 1.464 70.331 68.868 -0.001 0.000 0.932 1117 T HN 1.226 nan 8.240 nan 0.000 0.469 1118 V N 1.535 121.387 119.914 -0.103 0.000 2.487 1118 V HA 0.688 4.808 4.120 -0.000 0.000 0.298 1118 V C -1.351 174.699 176.094 -0.072 0.000 1.028 1118 V CA -1.197 61.102 62.300 -0.001 0.000 0.860 1118 V CB 0.547 32.390 31.823 0.034 0.000 0.991 1118 V HN 0.730 nan 8.190 nan 0.000 0.427 1119 Y N 3.364 123.724 120.300 0.100 0.000 2.403 1119 Y HA 0.722 5.272 4.550 -0.000 0.000 0.323 1119 Y C 0.536 176.487 175.900 0.085 0.000 1.226 1119 Y CA -0.872 57.286 58.100 0.096 0.000 1.235 1119 Y CB 1.043 39.567 38.460 0.106 0.000 1.248 1119 Y HN 0.539 nan 8.280 nan 0.000 0.489 1120 L N 0.530 121.905 121.223 0.253 0.000 2.420 1120 L HA 0.084 4.424 4.340 -0.000 0.000 0.198 1120 L C 0.427 177.404 176.870 0.180 0.000 1.165 1120 L CA 0.059 55.011 54.840 0.187 0.000 0.863 1120 L CB -0.061 42.111 42.059 0.188 0.000 1.371 1120 L HN 0.620 nan 8.230 nan 0.000 0.536 1121 E N -0.586 119.723 120.200 0.181 0.000 2.248 1121 E HA 0.216 4.566 4.350 -0.000 0.000 0.272 1121 E C -1.802 174.860 176.600 0.103 0.000 1.008 1121 E CA -1.641 54.855 56.400 0.160 0.000 0.856 1121 E CB 1.282 31.122 29.700 0.232 0.000 1.120 1121 E HN 0.247 nan 8.360 nan 0.000 0.397 1122 P HA -0.321 nan 4.420 nan 0.000 0.235 1122 P C 0.969 178.229 177.300 -0.067 0.000 0.775 1122 P CA 2.255 65.342 63.100 -0.021 0.000 1.099 1122 P CB -0.098 31.577 31.700 -0.041 0.000 0.733 1123 G N -1.284 107.403 108.800 -0.189 0.000 2.440 1123 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.218 1123 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.218 1123 G C 0.367 175.145 174.900 -0.204 0.000 1.154 1123 G CA 0.704 45.659 45.100 -0.243 0.000 0.767 1123 G HN 0.465 nan 8.290 nan 0.000 0.552 1124 H N 0.940 120.035 119.070 0.042 0.000 3.160 1124 H HA 0.491 5.047 4.556 -0.000 0.000 0.257 1124 H C 0.764 176.138 175.328 0.078 0.000 1.140 1124 H CA 0.366 56.444 56.048 0.050 0.000 1.492 1124 H CB 0.617 30.403 29.762 0.039 0.000 1.529 1124 H HN 0.289 nan 8.280 nan 0.000 0.490 1125 A N 3.042 125.969 122.820 0.178 0.000 1.742 1125 A HA 0.406 4.726 4.320 -0.000 0.000 0.167 1125 A C 1.969 179.708 177.584 0.258 0.000 1.913 1125 A CA 0.413 52.566 52.037 0.193 0.000 1.331 1125 A CB -0.777 18.305 19.000 0.137 0.000 0.968 1125 A HN 0.526 nan 8.150 nan 0.000 0.739 1126 A N 0.158 123.109 122.820 0.219 0.000 2.194 1126 A HA -0.076 4.243 4.320 -0.000 0.000 0.220 1126 A C 0.532 178.269 177.584 0.255 0.000 1.162 1126 A CA 1.254 53.455 52.037 0.272 0.000 0.674 1126 A CB -0.796 18.305 19.000 0.168 0.000 0.789 1126 A HN 0.433 nan 8.150 nan 0.000 0.470 1127 D N 0.245 120.744 120.400 0.165 0.000 2.479 1127 D HA 0.068 4.708 4.640 -0.000 0.000 0.253 1127 D C 1.456 177.703 176.300 -0.089 0.000 1.278 1127 D CA 0.313 54.348 54.000 0.059 0.000 1.145 1127 D CB 0.495 41.338 40.800 0.072 0.000 1.118 1127 D HN 0.554 nan 8.370 nan 0.000 0.513 1128 Q N 2.679 122.369 119.800 -0.184 0.000 2.065 1128 Q HA -0.285 4.055 4.340 -0.000 0.000 0.213 1128 Q C 1.653 177.363 176.000 -0.484 0.000 1.012 1128 Q CA 2.177 57.643 55.803 -0.562 0.000 0.876 1128 Q CB -0.121 28.412 28.738 -0.342 0.000 0.954 1128 Q HN 0.581 nan 8.270 nan 0.000 0.413 1129 E N -1.055 118.985 120.200 -0.267 0.000 2.072 1129 E HA -0.280 4.070 4.350 -0.000 0.000 0.191 1129 E C 2.016 178.507 176.600 -0.183 0.000 0.985 1129 E CA 1.100 57.374 56.400 -0.210 0.000 0.801 1129 E CB -0.206 29.412 29.700 -0.136 0.000 0.750 1129 E HN 0.480 nan 8.360 nan 0.000 0.452 1130 Q N 0.901 120.614 119.800 -0.144 0.000 2.197 1130 Q HA -0.259 4.081 4.340 -0.000 0.000 0.211 1130 Q C 1.710 177.640 176.000 -0.116 0.000 0.993 1130 Q CA 2.260 57.994 55.803 -0.115 0.000 0.883 1130 Q CB -0.590 28.111 28.738 -0.063 0.000 0.916 1130 Q HN 0.365 nan 8.270 nan 0.000 0.418 1131 A N 0.471 123.197 122.820 -0.156 0.000 1.835 1131 A HA -0.251 4.069 4.320 -0.000 0.000 0.215 1131 A C 1.987 179.489 177.584 -0.137 0.000 1.199 1131 A CA 1.932 53.887 52.037 -0.137 0.000 0.615 1131 A CB -0.648 18.216 19.000 -0.226 0.000 0.838 1131 A HN 0.475 nan 8.150 nan 0.000 0.444 1132 K N -0.383 119.905 120.400 -0.187 0.000 2.015 1132 K HA -0.224 4.096 4.320 -0.000 0.000 0.220 1132 K C 1.787 178.317 176.600 -0.117 0.000 1.055 1132 K CA 1.894 58.085 56.287 -0.161 0.000 0.951 1132 K CB -0.752 31.644 32.500 -0.174 0.000 0.725 1132 K HN 0.459 nan 8.250 nan 0.000 0.449 1133 L N 0.726 121.883 121.223 -0.111 0.000 2.283 1133 L HA -0.253 4.087 4.340 -0.000 0.000 0.217 1133 L C 2.164 178.991 176.870 -0.070 0.000 1.104 1133 L CA 1.200 55.987 54.840 -0.088 0.000 0.772 1133 L CB -0.545 41.458 42.059 -0.093 0.000 0.899 1133 L HN 0.291 nan 8.230 nan 0.000 0.439 1134 I N -2.052 118.478 120.570 -0.066 0.000 2.927 1134 I HA -0.090 4.080 4.170 -0.000 0.000 0.268 1134 I C 2.632 178.729 176.117 -0.033 0.000 1.153 1134 I CA 0.163 61.438 61.300 -0.041 0.000 1.459 1134 I CB -0.371 37.613 38.000 -0.027 0.000 1.149 1134 I HN 0.128 nan 8.210 nan 0.000 0.443 1135 R N 2.210 122.682 120.500 -0.046 0.000 2.132 1135 R HA -0.230 4.110 4.340 -0.000 0.000 0.233 1135 R C 2.166 178.451 176.300 -0.025 0.000 1.125 1135 R CA 2.679 58.758 56.100 -0.035 0.000 0.914 1135 R CB -0.552 29.705 30.300 -0.072 0.000 0.845 1135 R HN 0.437 nan 8.270 nan 0.000 0.431 1136 S N -0.684 114.986 115.700 -0.049 0.000 2.723 1136 S HA 0.060 4.530 4.470 -0.000 0.000 0.231 1136 S C 1.311 175.895 174.600 -0.027 0.000 0.967 1136 S CA 0.606 58.782 58.200 -0.040 0.000 0.958 1136 S CB 0.343 63.506 63.200 -0.062 0.000 0.778 1136 S HN 0.525 nan 8.310 nan 0.000 0.537 1137 A N 0.474 123.282 122.820 -0.020 0.000 2.288 1137 A HA 0.544 4.864 4.320 -0.000 0.000 0.216 1137 A C 1.614 179.201 177.584 0.004 0.000 1.199 1137 A CA -0.025 52.005 52.037 -0.013 0.000 0.891 1137 A CB -0.030 18.959 19.000 -0.018 0.000 0.923 1137 A HN 0.565 nan 8.150 nan 0.000 0.500 1138 I N -1.170 119.408 120.570 0.013 0.000 3.345 1138 I HA 0.115 4.284 4.170 -0.000 0.000 0.258 1138 I C 0.928 177.075 176.117 0.050 0.000 1.134 1138 I CA -0.133 61.184 61.300 0.028 0.000 1.457 1138 I CB -0.453 37.561 38.000 0.023 0.000 1.425 1138 I HN 0.268 nan 8.210 nan 0.000 0.461 1139 E N 2.536 122.768 120.200 0.054 0.000 2.829 1139 E HA -0.248 4.102 4.350 -0.000 0.000 0.264 1139 E C -0.157 176.508 176.600 0.109 0.000 0.922 1139 E CA 0.337 56.786 56.400 0.081 0.000 0.960 1139 E CB 0.195 29.945 29.700 0.084 0.000 0.918 1139 E HN 0.212 nan 8.360 nan 0.000 0.497 1140 H N 2.988 122.062 119.070 0.008 0.000 2.690 1140 H HA 0.275 4.831 4.556 -0.000 0.000 0.314 1140 H C -1.102 174.226 175.328 0.001 0.000 1.069 1140 H CA 0.141 56.189 56.048 -0.000 0.000 1.436 1140 H CB 0.883 30.644 29.762 -0.002 0.000 1.462 1140 H HN 0.362 nan 8.280 nan 0.000 0.511 1141 T N 4.810 119.202 114.554 -0.270 0.000 2.879 1141 T HA 0.349 4.699 4.350 -0.000 0.000 0.290 1141 T C -0.737 173.773 174.700 -0.317 0.000 0.993 1141 T CA -0.854 61.113 62.100 -0.221 0.000 0.975 1141 T CB 0.985 69.792 68.868 -0.101 0.000 0.981 1141 T HN 0.726 nan 8.240 nan 0.000 0.439 1142 T N 1.156 115.563 114.554 -0.245 0.000 2.856 1142 T HA 0.453 4.803 4.350 -0.000 0.000 0.283 1142 T C 1.229 175.868 174.700 -0.101 0.000 1.008 1142 T CA -0.917 61.070 62.100 -0.188 0.000 0.997 1142 T CB 1.398 70.174 68.868 -0.153 0.000 0.992 1142 T HN 0.253 nan 8.240 nan 0.000 0.454 1143 L N 2.150 123.325 121.223 -0.080 0.000 2.064 1143 L HA -0.147 4.193 4.340 -0.000 0.000 0.216 1143 L C 2.521 179.369 176.870 -0.036 0.000 1.077 1143 L CA 2.109 56.917 54.840 -0.053 0.000 0.766 1143 L CB -0.880 41.159 42.059 -0.033 0.000 0.890 1143 L HN 0.957 nan 8.230 nan 0.000 0.435 1144 K N -0.861 119.521 120.400 -0.030 0.000 2.173 1144 K HA -0.238 4.082 4.320 -0.000 0.000 0.207 1144 K C 2.078 178.669 176.600 -0.016 0.000 1.046 1144 K CA 1.788 58.066 56.287 -0.015 0.000 0.929 1144 K CB -0.214 32.281 32.500 -0.009 0.000 0.720 1144 K HN 0.707 nan 8.250 nan 0.000 0.453 1145 S N -0.307 115.377 115.700 -0.027 0.000 2.406 1145 S HA -0.078 4.392 4.470 -0.000 0.000 0.228 1145 S C 1.777 176.368 174.600 -0.015 0.000 1.020 1145 S CA 0.852 59.041 58.200 -0.019 0.000 0.965 1145 S CB -0.083 63.102 63.200 -0.025 0.000 0.798 1145 S HN 0.238 nan 8.310 nan 0.000 0.488 1146 V N -1.103 118.797 119.914 -0.023 0.000 3.621 1146 V HA 0.326 4.446 4.120 -0.000 0.000 0.285 1146 V C 0.324 176.409 176.094 -0.016 0.000 1.346 1146 V CA -0.184 62.103 62.300 -0.021 0.000 1.104 1146 V CB -0.923 30.880 31.823 -0.034 0.000 0.913 1146 V HN 0.296 nan 8.190 nan 0.000 0.432 1147 T N 1.486 116.033 114.554 -0.011 0.000 2.817 1147 T HA 0.569 4.919 4.350 -0.000 0.000 0.293 1147 T C 1.120 175.822 174.700 0.004 0.000 0.964 1147 T CA -0.062 62.036 62.100 -0.004 0.000 1.085 1147 T CB 2.051 70.919 68.868 -0.000 0.000 0.921 1147 T HN 0.174 nan 8.240 nan 0.000 0.502 1148 I N 1.335 121.909 120.570 0.008 0.000 2.429 1148 I HA 0.303 4.473 4.170 -0.000 0.000 0.247 1148 I C 1.177 177.305 176.117 0.019 0.000 1.099 1148 I CA 0.321 61.628 61.300 0.013 0.000 1.422 1148 I CB 0.099 38.107 38.000 0.014 0.000 1.112 1148 I HN 0.631 nan 8.210 nan 0.000 0.430 1149 A N 0.093 122.927 122.820 0.023 0.000 2.605 1149 A HA 0.592 4.912 4.320 -0.000 0.000 0.294 1149 A C -0.719 176.887 177.584 0.037 0.000 1.062 1149 A CA -0.442 51.614 52.037 0.032 0.000 0.682 1149 A CB 1.183 20.208 19.000 0.041 0.000 1.278 1149 A HN 0.120 nan 8.150 nan 0.000 0.410 1150 S N 0.602 116.327 115.700 0.042 0.000 2.568 1150 S HA 0.906 5.375 4.470 -0.000 0.000 0.302 1150 S C -0.624 174.024 174.600 0.080 0.000 1.082 1150 S CA -0.539 57.690 58.200 0.048 0.000 1.009 1150 S CB 1.780 65.001 63.200 0.035 0.000 1.069 1150 S HN 0.734 nan 8.310 nan 0.000 0.500 1151 E N 0.364 120.632 120.200 0.113 0.000 2.413 1151 E HA 0.524 4.874 4.350 -0.000 0.000 0.277 1151 E C -1.334 175.409 176.600 0.238 0.000 0.958 1151 E CA -0.802 55.723 56.400 0.208 0.000 0.779 1151 E CB 2.160 32.099 29.700 0.398 0.000 1.278 1151 E HN 0.709 nan 8.360 nan 0.000 0.456 1152 I N 1.781 122.522 120.570 0.285 0.000 2.521 1152 I HA 0.355 4.525 4.170 -0.000 0.000 0.277 1152 I C -1.008 175.379 176.117 0.451 0.000 1.054 1152 I CA -0.789 60.686 61.300 0.291 0.000 1.117 1152 I CB 0.106 38.176 38.000 0.116 0.000 1.217 1152 I HN 0.332 nan 8.210 nan 0.000 0.469 1153 Y N 3.704 124.131 120.300 0.211 0.000 2.344 1153 Y HA 0.301 4.851 4.550 -0.000 0.000 0.330 1153 Y C -0.266 175.860 175.900 0.376 0.000 1.330 1153 Y CA -0.883 57.364 58.100 0.245 0.000 1.479 1153 Y CB 0.537 39.079 38.460 0.136 0.000 1.428 1153 Y HN 0.421 nan 8.280 nan 0.000 0.544 1154 Y N 1.556 122.037 120.300 0.301 0.000 2.712 1154 Y HA 0.319 4.868 4.550 -0.000 0.000 0.328 1154 Y C -1.084 174.797 175.900 -0.031 0.000 0.995 1154 Y CA -0.818 57.278 58.100 -0.007 0.000 1.283 1154 Y CB 0.294 38.661 38.460 -0.156 0.000 1.092 1154 Y HN 0.497 nan 8.280 nan 0.000 0.519 1155 D N 8.088 128.225 120.400 -0.439 0.000 2.454 1155 D HA 0.244 4.884 4.640 -0.000 0.000 0.247 1155 D C -2.208 173.808 176.300 -0.473 0.000 1.129 1155 D CA -1.587 52.216 54.000 -0.329 0.000 0.877 1155 D CB 2.425 43.162 40.800 -0.105 0.000 1.082 1155 D HN 0.297 nan 8.370 nan 0.000 0.537 1156 P HA 0.042 nan 4.420 nan 0.000 0.234 1156 P C 0.175 177.358 177.300 -0.196 0.000 1.175 1156 P CA 0.155 63.008 63.100 -0.410 0.000 0.801 1156 P CB 0.838 32.299 31.700 -0.398 0.000 0.891 1157 D N 2.407 122.724 120.400 -0.139 0.000 2.453 1157 D HA 0.104 4.744 4.640 -0.000 0.000 0.223 1157 D C -1.314 174.960 176.300 -0.044 0.000 1.183 1157 D CA -2.372 51.584 54.000 -0.072 0.000 0.933 1157 D CB 0.509 41.280 40.800 -0.048 0.000 1.038 1157 D HN 0.096 nan 8.370 nan 0.000 0.513 1158 P HA -0.096 nan 4.420 nan 0.000 0.242 1158 P C 0.386 177.729 177.300 0.073 0.000 1.198 1158 P CA 0.490 63.596 63.100 0.010 0.000 0.756 1158 P CB 0.237 31.925 31.700 -0.020 0.000 0.911 1159 R N -0.557 119.972 120.500 0.049 0.000 2.476 1159 R HA 0.202 4.542 4.340 -0.000 0.000 0.276 1159 R C 0.214 176.524 176.300 0.016 0.000 0.941 1159 R CA 0.185 56.322 56.100 0.062 0.000 1.088 1159 R CB 0.646 30.958 30.300 0.021 0.000 1.216 1159 R HN 0.205 nan 8.270 nan 0.000 0.533 1160 S N -0.826 114.880 115.700 0.010 0.000 2.560 1160 S HA 0.296 4.766 4.470 -0.000 0.000 0.283 1160 S C -0.715 173.882 174.600 -0.004 0.000 1.141 1160 S CA -0.817 57.382 58.200 -0.001 0.000 0.902 1160 S CB 2.227 65.419 63.200 -0.014 0.000 1.104 1160 S HN -0.117 nan 8.310 nan 0.000 0.454 1161 T N 2.265 116.819 114.554 0.001 0.000 2.902 1161 T HA 0.415 4.765 4.350 -0.000 0.000 0.283 1161 T C 1.214 175.926 174.700 0.020 0.000 1.009 1161 T CA -0.626 61.475 62.100 0.002 0.000 1.051 1161 T CB 1.453 70.317 68.868 -0.007 0.000 0.999 1161 T HN 0.667 nan 8.240 nan 0.000 0.474 1162 V N 2.769 122.708 119.914 0.042 0.000 3.444 1162 V HA 0.076 4.196 4.120 -0.000 0.000 0.271 1162 V C 0.548 176.698 176.094 0.092 0.000 1.188 1162 V CA 0.985 63.327 62.300 0.070 0.000 1.168 1162 V CB -1.307 30.577 31.823 0.101 0.000 0.810 1162 V HN 0.626 nan 8.190 nan 0.000 0.500 1163 I N 1.529 122.145 120.570 0.077 0.000 2.378 1163 I HA 0.301 4.471 4.170 -0.000 0.000 0.291 1163 I C -0.965 175.176 176.117 0.041 0.000 0.992 1163 I CA -2.109 59.239 61.300 0.080 0.000 1.154 1163 I CB 1.960 39.997 38.000 0.063 0.000 1.315 1163 I HN -0.064 nan 8.210 nan 0.000 0.448 1164 P HA -0.198 nan 4.420 nan 0.000 0.208 1164 P C 0.927 178.239 177.300 0.020 0.000 1.195 1164 P CA 1.629 64.746 63.100 0.028 0.000 0.927 1164 P CB 0.161 31.879 31.700 0.031 0.000 0.778 1165 E N -0.317 119.896 120.200 0.022 0.000 2.352 1165 E HA -0.219 4.131 4.350 -0.000 0.000 0.203 1165 E C 1.147 177.751 176.600 0.007 0.000 1.024 1165 E CA 1.466 57.875 56.400 0.015 0.000 0.842 1165 E CB -0.600 29.111 29.700 0.018 0.000 0.753 1165 E HN 0.380 nan 8.360 nan 0.000 0.508 1166 D N -0.325 120.075 120.400 0.001 0.000 2.360 1166 D HA 0.006 4.646 4.640 -0.000 0.000 0.210 1166 D C 1.252 177.554 176.300 0.003 0.000 1.047 1166 D CA 0.098 54.093 54.000 -0.008 0.000 0.854 1166 D CB 0.219 40.998 40.800 -0.034 0.000 0.936 1166 D HN 0.184 nan 8.370 nan 0.000 0.514 1167 E N 0.844 121.048 120.200 0.007 0.000 2.033 1167 E HA -0.275 4.075 4.350 -0.000 0.000 0.199 1167 E C 1.727 178.334 176.600 0.012 0.000 1.011 1167 E CA 1.023 57.427 56.400 0.007 0.000 0.815 1167 E CB -0.059 29.643 29.700 0.003 0.000 0.755 1167 E HN 0.376 nan 8.360 nan 0.000 0.451 1168 E N 0.685 120.893 120.200 0.012 0.000 2.171 1168 E HA -0.222 4.128 4.350 -0.000 0.000 0.197 1168 E C 1.962 178.582 176.600 0.033 0.000 0.997 1168 E CA 0.963 57.373 56.400 0.017 0.000 0.810 1168 E CB -0.104 29.605 29.700 0.016 0.000 0.738 1168 E HN 0.292 nan 8.360 nan 0.000 0.467 1169 I N 0.505 121.097 120.570 0.036 0.000 2.676 1169 I HA -0.198 3.972 4.170 -0.000 0.000 0.259 1169 I C 1.918 178.090 176.117 0.092 0.000 1.194 1169 I CA 0.502 61.831 61.300 0.048 0.000 1.473 1169 I CB -0.131 37.881 38.000 0.021 0.000 1.096 1169 I HN 0.191 nan 8.210 nan 0.000 0.443 1170 I N -0.007 120.629 120.570 0.110 0.000 2.364 1170 I HA -0.165 4.005 4.170 -0.000 0.000 0.241 1170 I C 2.374 178.681 176.117 0.317 0.000 1.082 1170 I CA 0.725 62.162 61.300 0.227 0.000 1.401 1170 I CB -0.790 37.319 38.000 0.182 0.000 1.126 1170 I HN 0.086 nan 8.210 nan 0.000 0.429 1171 Q N 1.465 121.324 119.800 0.097 0.000 2.217 1171 Q HA -0.186 4.154 4.340 -0.000 0.000 0.209 1171 Q C 2.172 178.236 176.000 0.105 0.000 0.988 1171 Q CA 1.528 57.318 55.803 -0.023 0.000 0.878 1171 Q CB -0.377 28.329 28.738 -0.053 0.000 0.909 1171 Q HN 0.571 nan 8.270 nan 0.000 0.424 1172 L N -0.468 120.838 121.223 0.139 0.000 2.554 1172 L HA -0.004 4.336 4.340 -0.000 0.000 0.226 1172 L C 1.215 178.149 176.870 0.108 0.000 1.137 1172 L CA 0.226 55.126 54.840 0.099 0.000 0.863 1172 L CB -0.066 42.019 42.059 0.042 0.000 0.985 1172 L HN 0.264 nan 8.230 nan 0.000 0.451 1173 H N -0.604 118.599 119.070 0.221 0.000 2.499 1173 H HA 0.198 4.754 4.556 -0.000 0.000 0.262 1173 H C -0.226 175.075 175.328 -0.044 0.000 1.363 1173 H CA -0.003 56.077 56.048 0.053 0.000 1.072 1173 H CB 0.340 30.043 29.762 -0.098 0.000 1.602 1173 H HN 0.173 nan 8.280 nan 0.000 0.526 1174 F N -1.276 118.676 119.950 0.004 0.000 2.995 1174 F HA 0.041 4.568 4.527 -0.000 0.000 0.382 1174 F C 1.176 176.960 175.800 -0.026 0.000 1.019 1174 F CA -0.227 57.780 58.000 0.011 0.000 1.078 1174 F CB 0.409 39.417 39.000 0.012 0.000 1.192 1174 F HN 0.072 nan 8.300 nan 0.000 0.553 1175 S N 0.454 116.222 115.700 0.113 0.000 2.767 1175 S HA 0.766 5.235 4.470 -0.000 0.000 0.300 1175 S C -0.191 174.391 174.600 -0.029 0.000 1.123 1175 S CA -0.739 57.483 58.200 0.037 0.000 0.992 1175 S CB 1.448 64.666 63.200 0.030 0.000 1.138 1175 S HN 0.051 nan 8.310 nan 0.000 0.550 1188 Q N 1.442 121.202 119.800 -0.067 0.000 2.256 1188 Q HA 0.629 4.969 4.340 -0.000 0.000 0.232 1188 Q C -0.793 175.195 176.000 -0.019 0.000 0.965 1188 Q CA -0.334 55.441 55.803 -0.046 0.000 0.908 1188 Q CB 1.821 30.510 28.738 -0.080 0.000 1.209 1188 Q HN 0.280 nan 8.270 nan 0.000 0.489 1189 S N 0.612 116.321 115.700 0.016 0.000 2.585 1189 S HA 0.308 4.778 4.470 -0.000 0.000 0.277 1189 S C -1.835 172.751 174.600 -0.023 0.000 1.241 1189 S CA -1.763 56.458 58.200 0.034 0.000 1.041 1189 S CB 0.654 63.930 63.200 0.126 0.000 0.987 1189 S HN 0.474 nan 8.310 nan 0.000 0.512 1190 P HA 0.076 nan 4.420 nan 0.000 0.245 1190 P C -0.412 176.656 177.300 -0.387 0.000 1.206 1190 P CA 0.135 63.022 63.100 -0.357 0.000 0.781 1190 P CB -0.057 31.305 31.700 -0.563 0.000 0.994 1191 W N 1.259 122.522 121.300 -0.062 0.000 2.507 1191 W HA 0.286 4.946 4.660 -0.000 0.000 0.334 1191 W C 0.493 177.014 176.519 0.002 0.000 1.165 1191 W CA -0.984 56.365 57.345 0.007 0.000 1.460 1191 W CB 0.208 29.705 29.460 0.062 0.000 1.404 1191 W HN -0.081 nan 8.180 nan 0.000 0.435 1192 L N 5.119 126.528 121.223 0.310 0.000 2.399 1192 L HA 0.530 4.869 4.340 -0.000 0.000 0.266 1192 L C -0.795 176.180 176.870 0.175 0.000 1.114 1192 L CA -0.581 54.363 54.840 0.173 0.000 0.804 1192 L CB 0.755 42.872 42.059 0.096 0.000 1.146 1192 L HN 0.274 nan 8.230 nan 0.000 0.451 1193 L N 4.802 126.069 121.223 0.073 0.000 2.404 1193 L HA 0.559 4.899 4.340 -0.000 0.000 0.272 1193 L C -0.924 175.941 176.870 -0.008 0.000 0.980 1193 L CA -0.338 54.530 54.840 0.046 0.000 0.836 1193 L CB 1.211 43.279 42.059 0.015 0.000 1.238 1193 L HN 0.756 nan 8.230 nan 0.000 0.408 1194 R N 4.827 125.317 120.500 -0.017 0.000 2.494 1194 R HA 0.808 5.148 4.340 -0.000 0.000 0.305 1194 R C -1.707 174.581 176.300 -0.019 0.000 0.959 1194 R CA -0.559 55.501 56.100 -0.068 0.000 0.864 1194 R CB 1.212 31.382 30.300 -0.216 0.000 1.159 1194 R HN 0.736 nan 8.270 nan 0.000 0.446 1195 L N 3.487 124.701 121.223 -0.016 0.000 2.343 1195 L HA 0.426 4.766 4.340 -0.000 0.000 0.278 1195 L C -0.368 176.504 176.870 0.002 0.000 0.996 1195 L CA -0.559 54.282 54.840 0.002 0.000 0.831 1195 L CB 1.899 43.961 42.059 0.005 0.000 1.232 1195 L HN 0.628 nan 8.230 nan 0.000 0.413 1196 E N 4.623 124.829 120.200 0.009 0.000 2.081 1196 E HA 0.426 4.776 4.350 -0.000 0.000 0.281 1196 E C -0.988 175.617 176.600 0.008 0.000 0.986 1196 E CA -0.509 55.898 56.400 0.010 0.000 0.796 1196 E CB 0.923 30.634 29.700 0.019 0.000 1.085 1196 E HN 0.502 nan 8.360 nan 0.000 0.398 1197 L N 2.693 123.918 121.223 0.003 0.000 2.416 1197 L HA 0.329 4.669 4.340 -0.000 0.000 0.262 1197 L C 0.459 177.328 176.870 -0.001 0.000 1.093 1197 L CA -0.758 54.079 54.840 -0.004 0.000 0.801 1197 L CB 0.756 42.806 42.059 -0.015 0.000 1.191 1197 L HN 0.484 nan 8.230 nan 0.000 0.459 1198 D N 0.473 120.871 120.400 -0.004 0.000 2.274 1198 D HA 0.155 4.795 4.640 -0.000 0.000 0.239 1198 D C 0.807 177.104 176.300 -0.005 0.000 1.104 1198 D CA -0.193 53.806 54.000 -0.001 0.000 0.840 1198 D CB 1.504 42.304 40.800 0.000 0.000 1.100 1198 D HN 0.391 nan 8.370 nan 0.000 0.477 1199 R N 2.828 123.326 120.500 -0.002 0.000 2.103 1199 R HA -0.212 4.128 4.340 -0.000 0.000 0.234 1199 R C 1.977 178.274 176.300 -0.006 0.000 1.132 1199 R CA 1.961 58.058 56.100 -0.005 0.000 0.925 1199 R CB -0.261 30.039 30.300 -0.001 0.000 0.842 1199 R HN 0.585 nan 8.270 nan 0.000 0.430 1200 A N 0.834 123.653 122.820 -0.002 0.000 1.873 1200 A HA -0.316 4.004 4.320 -0.000 0.000 0.219 1200 A C 2.344 179.927 177.584 -0.002 0.000 1.269 1200 A CA 2.637 54.674 52.037 -0.001 0.000 0.671 1200 A CB -1.459 17.542 19.000 0.003 0.000 0.842 1200 A HN 0.600 nan 8.150 nan 0.000 0.460 1201 A N -2.142 120.678 122.820 -0.000 0.000 2.139 1201 A HA -0.144 4.176 4.320 -0.000 0.000 0.221 1201 A C 1.979 179.557 177.584 -0.010 0.000 1.159 1201 A CA 2.069 54.106 52.037 -0.000 0.000 0.662 1201 A CB -0.487 18.512 19.000 -0.001 0.000 0.796 1201 A HN 0.496 nan 8.150 nan 0.000 0.463 1202 M N -0.435 119.155 119.600 -0.016 0.000 2.558 1202 M HA 0.045 4.524 4.480 -0.000 0.000 0.255 1202 M C 0.988 177.270 176.300 -0.029 0.000 1.113 1202 M CA 0.685 55.969 55.300 -0.027 0.000 1.097 1202 M CB -0.913 31.669 32.600 -0.029 0.000 1.426 1202 M HN 0.412 nan 8.290 nan 0.000 0.488 1203 N N -0.160 118.526 118.700 -0.023 0.000 2.414 1203 N HA -0.073 4.667 4.740 -0.000 0.000 0.177 1203 N C 1.331 176.821 175.510 -0.033 0.000 1.062 1203 N CA 0.398 53.431 53.050 -0.028 0.000 0.890 1203 N CB 0.131 38.605 38.487 -0.022 0.000 1.070 1203 N HN 0.340 nan 8.380 nan 0.000 0.454 1204 D N 1.564 121.953 120.400 -0.018 0.000 2.106 1204 D HA -0.126 4.514 4.640 -0.000 0.000 0.191 1204 D C -0.197 176.081 176.300 -0.036 0.000 0.997 1204 D CA 1.211 55.206 54.000 -0.009 0.000 0.834 1204 D CB 0.282 41.104 40.800 0.035 0.000 0.956 1204 D HN 0.193 nan 8.370 nan 0.000 0.448 1205 K N 1.711 122.098 120.400 -0.023 0.000 2.464 1205 K HA 0.162 4.482 4.320 -0.000 0.000 0.252 1205 K C -0.824 175.748 176.600 -0.048 0.000 1.000 1205 K CA -0.685 55.581 56.287 -0.035 0.000 0.951 1205 K CB 1.779 34.274 32.500 -0.009 0.000 1.183 1205 K HN -0.024 nan 8.250 nan 0.000 0.445 1206 D N 3.312 123.676 120.400 -0.061 0.000 2.923 1206 D HA -0.110 4.530 4.640 -0.000 0.000 0.220 1206 D C -0.321 175.945 176.300 -0.058 0.000 1.099 1206 D CA 1.331 55.295 54.000 -0.059 0.000 0.807 1206 D CB 0.443 41.205 40.800 -0.064 0.000 1.155 1206 D HN 0.364 nan 8.370 nan 0.000 0.524 1207 L N 1.872 123.060 121.223 -0.058 0.000 2.582 1207 L HA 0.333 4.673 4.340 -0.000 0.000 0.257 1207 L C -0.376 176.451 176.870 -0.071 0.000 0.974 1207 L CA -0.642 54.157 54.840 -0.069 0.000 0.851 1207 L CB 2.644 44.660 42.059 -0.072 0.000 1.424 1207 L HN 0.163 nan 8.230 nan 0.000 0.412 1208 T N 1.483 115.981 114.554 -0.093 0.000 2.971 1208 T HA 0.287 4.636 4.350 -0.000 0.000 0.304 1208 T C 0.903 175.500 174.700 -0.171 0.000 1.038 1208 T CA -0.669 61.372 62.100 -0.098 0.000 1.007 1208 T CB 1.872 70.696 68.868 -0.072 0.000 1.055 1208 T HN 0.430 nan 8.240 nan 0.000 0.451 1209 M N 1.631 121.119 119.600 -0.187 0.000 2.116 1209 M HA -0.130 4.350 4.480 -0.000 0.000 0.255 1209 M C 2.436 178.330 176.300 -0.677 0.000 1.075 1209 M CA 2.269 57.343 55.300 -0.375 0.000 1.087 1209 M CB -2.008 30.446 32.600 -0.243 0.000 1.340 1209 M HN 0.834 nan 8.290 nan 0.000 0.402 1210 G N 0.087 108.643 108.800 -0.407 0.000 2.586 1210 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.218 1210 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.218 1210 G C 1.467 176.132 174.900 -0.391 0.000 1.216 1210 G CA 1.253 46.153 45.100 -0.334 0.000 0.786 1210 G HN 0.598 nan 8.290 nan 0.000 0.583 1211 Q N -0.174 119.476 119.800 -0.249 0.000 1.956 1211 Q HA -0.151 4.189 4.340 -0.000 0.000 0.208 1211 Q C 2.838 178.678 176.000 -0.266 0.000 0.998 1211 Q CA 1.983 57.667 55.803 -0.198 0.000 0.855 1211 Q CB -0.780 27.874 28.738 -0.141 0.000 0.928 1211 Q HN 0.329 nan 8.270 nan 0.000 0.418 1212 V N 1.018 120.759 119.914 -0.290 0.000 2.238 1212 V HA -0.376 3.744 4.120 -0.000 0.000 0.253 1212 V C 2.238 178.127 176.094 -0.342 0.000 1.050 1212 V CA 2.303 64.435 62.300 -0.280 0.000 1.045 1212 V CB -1.728 29.925 31.823 -0.284 0.000 0.670 1212 V HN 0.701 nan 8.190 nan 0.000 0.469 1213 G N -0.944 107.479 108.800 -0.629 0.000 2.586 1213 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.218 1213 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.218 1213 G C 1.389 176.074 174.900 -0.359 0.000 1.216 1213 G CA 1.063 45.763 45.100 -0.667 0.000 0.786 1213 G HN 0.553 nan 8.290 nan 0.000 0.583 1214 E N 0.120 120.065 120.200 -0.426 0.000 2.200 1214 E HA -0.272 4.078 4.350 -0.000 0.000 0.211 1214 E C 2.573 179.146 176.600 -0.044 0.000 1.048 1214 E CA 1.555 57.900 56.400 -0.092 0.000 0.851 1214 E CB -0.176 29.474 29.700 -0.082 0.000 0.747 1214 E HN 0.244 nan 8.360 nan 0.000 0.462 1215 R N 0.594 121.037 120.500 -0.094 0.000 2.064 1215 R HA -0.033 4.307 4.340 -0.000 0.000 0.228 1215 R C 2.497 178.791 176.300 -0.010 0.000 1.144 1215 R CA 1.230 57.296 56.100 -0.056 0.000 0.932 1215 R CB -0.909 29.343 30.300 -0.081 0.000 0.833 1215 R HN 0.173 nan 8.270 nan 0.000 0.429 1216 I N 0.746 121.320 120.570 0.007 0.000 2.103 1216 I HA -0.431 3.739 4.170 -0.000 0.000 0.241 1216 I C 2.433 178.692 176.117 0.237 0.000 1.036 1216 I CA 2.083 63.464 61.300 0.135 0.000 1.300 1216 I CB -0.488 37.592 38.000 0.134 0.000 1.010 1216 I HN 0.251 nan 8.210 nan 0.000 0.406 1217 K N 0.857 121.366 120.400 0.182 0.000 2.147 1217 K HA -0.226 4.094 4.320 -0.000 0.000 0.205 1217 K C 2.087 178.785 176.600 0.162 0.000 1.049 1217 K CA 1.655 58.062 56.287 0.201 0.000 0.936 1217 K CB -0.039 32.577 32.500 0.194 0.000 0.722 1217 K HN 0.564 nan 8.250 nan 0.000 0.446 1218 Q N -1.361 118.496 119.800 0.095 0.000 2.403 1218 Q HA 0.032 4.372 4.340 -0.000 0.000 0.203 1218 Q C 0.840 176.841 176.000 0.001 0.000 0.932 1218 Q CA 0.829 56.663 55.803 0.052 0.000 0.945 1218 Q CB 0.497 29.252 28.738 0.029 0.000 1.045 1218 Q HN 0.046 nan 8.270 nan 0.000 0.511 1219 T N -0.170 114.368 114.554 -0.028 0.000 3.009 1219 T HA 0.097 4.447 4.350 -0.000 0.000 0.258 1219 T C 0.680 175.150 174.700 -0.384 0.000 1.063 1219 T CA 0.746 62.707 62.100 -0.232 0.000 1.139 1219 T CB -0.037 68.620 68.868 -0.352 0.000 0.890 1219 T HN 0.305 nan 8.240 nan 0.000 0.471 1220 F N 0.548 120.511 119.950 0.022 0.000 2.553 1220 F HA 0.386 4.913 4.527 -0.000 0.000 0.282 1220 F C 1.239 177.058 175.800 0.032 0.000 1.089 1220 F CA -0.297 57.719 58.000 0.027 0.000 1.411 1220 F CB 0.158 39.178 39.000 0.032 0.000 1.125 1220 F HN -0.074 nan 8.300 nan 0.000 0.610 1221 K N -0.310 120.221 120.400 0.219 0.000 5.819 1221 K HA -0.258 4.062 4.320 -0.000 0.000 0.277 1221 K C -0.721 175.964 176.600 0.141 0.000 1.628 1221 K CA 0.901 57.272 56.287 0.141 0.000 0.771 1221 K CB -1.269 31.287 32.500 0.093 0.000 0.815 1221 K HN 0.019 nan 8.250 nan 0.000 0.531 1222 N N 2.704 121.468 118.700 0.107 0.000 2.868 1222 N HA 0.166 4.906 4.740 -0.000 0.000 0.252 1222 N C -1.039 174.523 175.510 0.087 0.000 1.130 1222 N CA 0.623 53.727 53.050 0.091 0.000 1.026 1222 N CB 0.329 38.855 38.487 0.065 0.000 1.335 1222 N HN 0.551 nan 8.380 nan 0.000 0.516 1223 D N 0.654 121.113 120.400 0.099 0.000 4.090 1223 D HA -0.035 4.605 4.640 -0.000 0.000 0.202 1223 D C -0.888 175.449 176.300 0.062 0.000 0.953 1223 D CA -0.362 53.685 54.000 0.079 0.000 0.737 1223 D CB -1.047 39.803 40.800 0.083 0.000 1.711 1223 D HN 0.214 nan 8.370 nan 0.000 0.406 1224 L N 0.929 122.196 121.223 0.074 0.000 2.973 1224 L HA 0.530 4.870 4.340 -0.000 0.000 0.254 1224 L C -2.133 174.797 176.870 0.100 0.000 0.947 1224 L CA -0.740 54.112 54.840 0.021 0.000 1.064 1224 L CB 1.084 43.056 42.059 -0.145 0.000 1.534 1224 L HN -0.022 nan 8.230 nan 0.000 0.504 1225 F N 5.544 125.463 119.950 -0.052 0.000 2.399 1225 F HA 0.786 5.313 4.527 -0.000 0.000 0.342 1225 F C -0.465 175.294 175.800 -0.068 0.000 1.106 1225 F CA -0.044 57.917 58.000 -0.064 0.000 1.196 1225 F CB 1.122 40.070 39.000 -0.086 0.000 1.163 1225 F HN 0.281 nan 8.300 nan 0.000 0.547 1226 V N 6.552 125.985 119.914 -0.801 0.000 3.049 1226 V HA 0.564 4.684 4.120 -0.000 0.000 0.309 1226 V C -0.345 175.197 176.094 -0.920 0.000 1.148 1226 V CA -0.908 61.026 62.300 -0.608 0.000 0.990 1226 V CB 2.005 33.767 31.823 -0.102 0.000 1.039 1226 V HN 0.710 nan 8.190 nan 0.000 0.430 1227 I N 1.660 121.849 120.570 -0.635 0.000 3.191 1227 I HA 0.763 4.933 4.170 -0.000 0.000 0.313 1227 I C -1.665 174.295 176.117 -0.262 0.000 1.193 1227 I CA -0.586 60.225 61.300 -0.815 0.000 0.968 1227 I CB 2.733 40.304 38.000 -0.715 0.000 1.262 1227 I HN 0.919 nan 8.210 nan 0.000 0.456 1228 W N 0.979 122.193 121.300 -0.144 0.000 3.298 1228 W HA 0.612 5.272 4.660 -0.000 0.000 0.302 1228 W C -0.718 175.799 176.519 -0.003 0.000 1.255 1228 W CA -0.908 56.398 57.345 -0.065 0.000 1.196 1228 W CB -0.293 29.133 29.460 -0.057 0.000 1.364 1228 W HN 0.589 nan 8.180 nan 0.000 0.566 1229 S N 0.346 116.202 115.700 0.260 0.000 2.650 1229 S HA 0.402 4.872 4.470 -0.000 0.000 0.251 1229 S C -0.256 174.494 174.600 0.251 0.000 1.325 1229 S CA -0.249 58.057 58.200 0.177 0.000 0.967 1229 S CB 0.692 63.958 63.200 0.110 0.000 1.000 1229 S HN 0.615 nan 8.310 nan 0.000 0.584 1230 E N -0.154 120.137 120.200 0.151 0.000 2.212 1230 E HA 0.227 4.577 4.350 -0.000 0.000 0.268 1230 E C 0.002 176.653 176.600 0.085 0.000 0.902 1230 E CA -0.678 55.804 56.400 0.137 0.000 0.779 1230 E CB 1.233 30.990 29.700 0.095 0.000 1.172 1230 E HN 0.562 nan 8.360 nan 0.000 0.409 1231 D N 1.540 121.981 120.400 0.068 0.000 2.292 1231 D HA -0.224 4.416 4.640 -0.000 0.000 0.205 1231 D C 1.103 177.420 176.300 0.027 0.000 0.994 1231 D CA 1.029 55.049 54.000 0.034 0.000 0.897 1231 D CB 0.218 41.030 40.800 0.020 0.000 0.907 1231 D HN 0.383 nan 8.370 nan 0.000 0.467 1232 N N 0.992 119.712 118.700 0.033 0.000 2.173 1232 N HA -0.094 4.646 4.740 -0.000 0.000 0.184 1232 N C 0.186 175.711 175.510 0.024 0.000 1.025 1232 N CA 0.456 53.520 53.050 0.025 0.000 0.852 1232 N CB 0.192 38.693 38.487 0.024 0.000 0.998 1232 N HN 0.063 nan 8.380 nan 0.000 0.427 1233 D N 1.058 121.477 120.400 0.032 0.000 2.515 1233 D HA -0.130 4.510 4.640 -0.000 0.000 0.232 1233 D C 1.070 177.385 176.300 0.024 0.000 1.157 1233 D CA 0.444 54.461 54.000 0.029 0.000 0.871 1233 D CB 0.581 41.404 40.800 0.038 0.000 1.200 1233 D HN 0.512 nan 8.370 nan 0.000 0.466 1234 E N 0.823 121.035 120.200 0.020 0.000 2.511 1234 E HA -0.057 4.293 4.350 -0.000 0.000 0.196 1234 E C -0.143 176.467 176.600 0.017 0.000 1.066 1234 E CA 0.673 57.083 56.400 0.016 0.000 0.871 1234 E CB 0.291 29.999 29.700 0.014 0.000 0.863 1234 E HN 0.174 nan 8.360 nan 0.000 0.520 1235 K N 1.480 121.892 120.400 0.021 0.000 2.668 1235 K HA 0.305 4.625 4.320 -0.000 0.000 0.246 1235 K C -1.073 175.543 176.600 0.026 0.000 0.976 1235 K CA -0.473 55.826 56.287 0.020 0.000 0.902 1235 K CB 1.755 34.266 32.500 0.018 0.000 1.172 1235 K HN 0.085 nan 8.250 nan 0.000 0.452 1236 L N 5.233 126.471 121.223 0.024 0.000 2.418 1236 L HA 0.415 4.755 4.340 -0.000 0.000 0.274 1236 L C 0.065 176.953 176.870 0.030 0.000 1.135 1236 L CA 0.103 54.962 54.840 0.030 0.000 0.870 1236 L CB -0.040 42.028 42.059 0.014 0.000 1.154 1236 L HN 0.437 nan 8.230 nan 0.000 0.462 1237 I N 4.145 124.746 120.570 0.051 0.000 2.913 1237 I HA 0.452 4.622 4.170 -0.000 0.000 0.302 1237 I C -0.761 175.403 176.117 0.077 0.000 1.246 1237 I CA -0.525 60.798 61.300 0.038 0.000 1.010 1237 I CB 3.048 41.054 38.000 0.011 0.000 1.259 1237 I HN 0.433 nan 8.210 nan 0.000 0.434 1238 I N 4.137 124.735 120.570 0.047 0.000 2.503 1238 I HA 0.402 4.572 4.170 -0.000 0.000 0.282 1238 I C -0.284 175.835 176.117 0.003 0.000 1.059 1238 I CA -0.410 60.933 61.300 0.073 0.000 1.081 1238 I CB 1.374 39.416 38.000 0.068 0.000 1.210 1238 I HN 0.474 nan 8.210 nan 0.000 0.450 1239 R N 4.237 124.716 120.500 -0.036 0.000 2.553 1239 R HA 0.876 5.216 4.340 -0.000 0.000 0.263 1239 R C -0.817 175.420 176.300 -0.104 0.000 1.066 1239 R CA -0.491 55.561 56.100 -0.079 0.000 1.135 1239 R CB 1.636 31.877 30.300 -0.099 0.000 1.148 1239 R HN 0.799 nan 8.270 nan 0.000 0.558 1240 C N -1.288 117.962 119.300 -0.085 0.000 3.046 1240 C HA 0.348 4.808 4.460 -0.000 0.000 0.418 1240 C C -0.970 174.011 174.990 -0.015 0.000 1.005 1240 C CA -1.374 57.590 59.018 -0.090 0.000 1.060 1240 C CB 0.410 28.086 27.740 -0.106 0.000 1.496 1240 C HN 0.927 nan 8.230 nan 0.000 0.614 1241 R N 1.796 122.323 120.500 0.044 0.000 2.902 1241 R HA 0.903 5.243 4.340 -0.000 0.000 0.258 1241 R C 0.307 176.639 176.300 0.054 0.000 1.071 1241 R CA -0.692 55.452 56.100 0.073 0.000 1.024 1241 R CB 1.487 31.849 30.300 0.103 0.000 1.184 1241 R HN 0.634 nan 8.270 nan 0.000 0.492 1242 V N -0.012 119.936 119.914 0.057 0.000 4.057 1242 V HA 0.441 4.561 4.120 -0.000 0.000 0.264 1242 V C 0.539 176.661 176.094 0.047 0.000 0.923 1242 V CA -0.210 62.109 62.300 0.032 0.000 0.799 1242 V CB 0.478 32.330 31.823 0.049 0.000 1.166 1242 V HN 0.598 nan 8.190 nan 0.000 0.375 1255 E N 0.452 120.698 120.200 0.077 0.000 2.326 1255 E HA -0.170 4.180 4.350 -0.000 0.000 0.195 1255 E C 0.554 177.178 176.600 0.041 0.000 1.367 1255 E CA 0.734 57.168 56.400 0.057 0.000 0.666 1255 E CB -0.670 29.037 29.700 0.013 0.000 1.147 1255 E HN 0.767 nan 8.360 nan 0.000 0.384 1256 E N 0.523 120.754 120.200 0.050 0.000 2.112 1256 E HA -0.128 4.222 4.350 -0.000 0.000 0.190 1256 E C 1.194 177.651 176.600 -0.238 0.000 0.979 1256 E CA 0.654 57.053 56.400 -0.002 0.000 0.814 1256 E CB 0.120 29.971 29.700 0.252 0.000 0.762 1256 E HN 0.429 nan 8.360 nan 0.000 0.460 1257 D N 0.657 120.753 120.400 -0.507 0.000 2.084 1257 D HA -0.186 4.454 4.640 -0.000 0.000 0.194 1257 D C 1.958 178.112 176.300 -0.243 0.000 0.990 1257 D CA 1.035 54.677 54.000 -0.597 0.000 0.826 1257 D CB -0.367 40.024 40.800 -0.681 0.000 0.971 1257 D HN 0.221 nan 8.370 nan 0.000 0.453 1258 H N 0.908 119.856 119.070 -0.203 0.000 2.289 1258 H HA -0.110 4.446 4.556 -0.000 0.000 0.296 1258 H C 2.147 177.422 175.328 -0.089 0.000 1.091 1258 H CA 1.338 57.317 56.048 -0.115 0.000 1.274 1258 H CB -0.368 29.350 29.762 -0.073 0.000 1.364 1258 H HN 0.130 nan 8.280 nan 0.000 0.490 1259 M N 0.026 119.694 119.600 0.113 0.000 2.132 1259 M HA -0.138 4.342 4.480 -0.000 0.000 0.263 1259 M C 1.257 177.563 176.300 0.010 0.000 1.065 1259 M CA 0.927 56.264 55.300 0.062 0.000 1.122 1259 M CB -0.030 32.589 32.600 0.030 0.000 1.365 1259 M HN 0.162 nan 8.290 nan 0.000 0.411 1260 L N 1.115 122.309 121.223 -0.048 0.000 2.873 1260 L HA 0.048 4.388 4.340 -0.000 0.000 0.252 1260 L C 0.846 177.673 176.870 -0.071 0.000 1.266 1260 L CA 1.101 55.901 54.840 -0.066 0.000 1.111 1260 L CB -1.060 40.947 42.059 -0.088 0.000 1.440 1260 L HN 0.239 nan 8.230 nan 0.000 0.427 1261 K N -1.669 118.704 120.400 -0.046 0.000 2.603 1261 K HA 0.145 4.465 4.320 -0.000 0.000 0.205 1261 K C 1.678 178.273 176.600 -0.007 0.000 1.500 1261 K CA -0.028 56.231 56.287 -0.047 0.000 1.059 1261 K CB 0.492 32.935 32.500 -0.096 0.000 1.416 1261 K HN 0.150 nan 8.250 nan 0.000 0.562 1262 K N 0.846 121.258 120.400 0.020 0.000 2.147 1262 K HA -0.008 4.312 4.320 -0.000 0.000 0.205 1262 K C 1.654 178.293 176.600 0.065 0.000 1.049 1262 K CA 1.206 57.523 56.287 0.050 0.000 0.936 1262 K CB 0.080 32.624 32.500 0.073 0.000 0.722 1262 K HN 0.154 nan 8.250 nan 0.000 0.446 1263 I N 0.820 121.421 120.570 0.051 0.000 2.876 1263 I HA -0.149 4.021 4.170 -0.000 0.000 0.264 1263 I C 2.356 178.507 176.117 0.057 0.000 1.204 1263 I CA 0.566 61.906 61.300 0.068 0.000 1.485 1263 I CB -0.082 37.888 38.000 -0.051 0.000 1.103 1263 I HN 0.164 nan 8.210 nan 0.000 0.446 1264 E N 1.985 122.199 120.200 0.025 0.000 2.051 1264 E HA -0.231 4.119 4.350 -0.000 0.000 0.192 1264 E C 1.758 178.384 176.600 0.043 0.000 0.991 1264 E CA 1.798 58.211 56.400 0.022 0.000 0.799 1264 E CB -0.143 29.558 29.700 0.002 0.000 0.748 1264 E HN 0.380 nan 8.360 nan 0.000 0.449 1265 N N -0.295 118.432 118.700 0.046 0.000 2.132 1265 N HA -0.069 4.670 4.740 -0.000 0.000 0.187 1265 N C 1.774 177.326 175.510 0.069 0.000 1.038 1265 N CA 1.903 54.981 53.050 0.047 0.000 0.846 1265 N CB -0.836 37.672 38.487 0.036 0.000 1.012 1265 N HN 0.230 nan 8.380 nan 0.000 0.429 1266 T N 1.825 116.436 114.554 0.095 0.000 2.896 1266 T HA -0.106 4.244 4.350 -0.000 0.000 0.270 1266 T C 1.801 176.582 174.700 0.136 0.000 1.104 1266 T CA 0.964 63.132 62.100 0.112 0.000 1.115 1266 T CB -0.062 68.906 68.868 0.167 0.000 0.843 1266 T HN 0.240 nan 8.240 nan 0.000 0.523 1267 M N -0.341 119.358 119.600 0.165 0.000 2.476 1267 M HA 0.201 4.681 4.480 -0.000 0.000 0.262 1267 M C 1.721 178.066 176.300 0.075 0.000 1.111 1267 M CA 0.914 56.312 55.300 0.164 0.000 1.127 1267 M CB -0.029 32.667 32.600 0.160 0.000 1.376 1267 M HN 0.267 nan 8.290 nan 0.000 0.465 1268 L N -0.969 120.286 121.223 0.053 0.000 2.416 1268 L HA -0.015 4.325 4.340 -0.000 0.000 0.216 1268 L C 1.268 178.148 176.870 0.016 0.000 1.098 1268 L CA 0.755 55.611 54.840 0.027 0.000 0.840 1268 L CB 0.071 42.144 42.059 0.025 0.000 0.981 1268 L HN 0.279 nan 8.230 nan 0.000 0.462 1269 E N -1.563 118.651 120.200 0.023 0.000 2.568 1269 E HA 0.094 4.444 4.350 -0.000 0.000 0.220 1269 E C 0.805 177.420 176.600 0.025 0.000 0.869 1269 E CA -0.146 56.268 56.400 0.023 0.000 1.268 1269 E CB 0.525 30.243 29.700 0.029 0.000 1.252 1269 E HN 0.234 nan 8.360 nan 0.000 0.606 1270 N N 0.678 119.386 118.700 0.013 0.000 2.280 1270 N HA 0.181 4.921 4.740 -0.000 0.000 0.192 1270 N C -0.221 175.273 175.510 -0.027 0.000 1.109 1270 N CA 0.249 53.298 53.050 -0.001 0.000 0.855 1270 N CB 1.271 39.749 38.487 -0.015 0.000 0.974 1270 N HN 0.137 nan 8.380 nan 0.000 0.482 1271 I N 1.214 121.766 120.570 -0.030 0.000 2.354 1271 I HA 0.149 4.319 4.170 -0.000 0.000 0.292 1271 I C -0.452 175.624 176.117 -0.068 0.000 0.989 1271 I CA -0.119 61.148 61.300 -0.055 0.000 1.188 1271 I CB 1.440 39.414 38.000 -0.044 0.000 1.342 1271 I HN -0.188 nan 8.210 nan 0.000 0.457 1272 T N 6.982 121.493 114.554 -0.072 0.000 2.855 1272 T HA 0.399 4.749 4.350 -0.000 0.000 0.281 1272 T C 0.515 175.153 174.700 -0.103 0.000 1.007 1272 T CA -0.508 61.523 62.100 -0.116 0.000 1.009 1272 T CB 2.314 71.163 68.868 -0.031 0.000 0.983 1272 T HN 0.290 nan 8.240 nan 0.000 0.455 1273 L N 1.214 122.359 121.223 -0.131 0.000 2.471 1273 L HA 0.459 4.799 4.340 -0.000 0.000 0.186 1273 L C 1.019 177.842 176.870 -0.077 0.000 1.191 1273 L CA 0.923 55.703 54.840 -0.101 0.000 0.835 1273 L CB -0.136 41.858 42.059 -0.108 0.000 1.092 1273 L HN 0.420 nan 8.230 nan 0.000 0.495 1274 R N -0.774 119.680 120.500 -0.076 0.000 2.476 1274 R HA 0.562 4.902 4.340 -0.000 0.000 0.305 1274 R C -0.875 175.416 176.300 -0.015 0.000 0.965 1274 R CA 0.160 56.234 56.100 -0.043 0.000 0.867 1274 R CB 1.441 31.714 30.300 -0.045 0.000 1.176 1274 R HN 0.370 nan 8.270 nan 0.000 0.447 1275 G N 0.898 109.711 108.800 0.023 0.000 2.347 1275 G HA2 0.068 4.028 3.960 -0.000 0.000 0.341 1275 G HA3 0.068 4.028 3.960 -0.000 0.000 0.341 1275 G C -1.836 173.133 174.900 0.115 0.000 1.287 1275 G CA -0.773 44.373 45.100 0.077 0.000 0.984 1275 G HN 0.437 nan 8.290 nan 0.000 0.526 1276 V N 0.473 120.457 119.914 0.117 0.000 2.735 1276 V HA 0.627 4.747 4.120 -0.000 0.000 0.310 1276 V C 0.642 176.717 176.094 -0.031 0.000 1.061 1276 V CA -0.327 62.007 62.300 0.056 0.000 0.913 1276 V CB 1.497 33.330 31.823 0.017 0.000 1.005 1276 V HN 1.251 nan 8.190 nan 0.000 0.428 1277 E N 3.956 124.075 120.200 -0.136 0.000 2.458 1277 E HA 0.000 4.350 4.350 -0.000 0.000 0.264 1277 E C 0.499 176.931 176.600 -0.281 0.000 1.097 1277 E CA 0.384 56.556 56.400 -0.381 0.000 0.973 1277 E CB 0.114 29.673 29.700 -0.236 0.000 0.963 1277 E HN 0.674 nan 8.360 nan 0.000 0.451 1278 N N -0.224 118.277 118.700 -0.332 0.000 2.282 1278 N HA -0.253 4.487 4.740 -0.000 0.000 0.222 1278 N C 0.017 175.458 175.510 -0.115 0.000 0.937 1278 N CA 1.958 54.904 53.050 -0.173 0.000 2.775 1278 N CB -1.366 37.059 38.487 -0.104 0.000 0.817 1278 N HN 0.610 nan 8.380 nan 0.000 0.463 1279 I N 3.094 123.606 120.570 -0.098 0.000 2.574 1279 I HA -0.029 4.140 4.170 -0.000 0.000 0.291 1279 I C 1.377 177.501 176.117 0.012 0.000 1.131 1279 I CA 0.642 61.924 61.300 -0.030 0.000 1.352 1279 I CB 0.193 38.188 38.000 -0.009 0.000 1.431 1279 I HN 0.181 nan 8.210 nan 0.000 0.543 1280 E N 6.166 126.376 120.200 0.017 0.000 3.281 1280 E HA 0.307 4.657 4.350 -0.000 0.000 0.467 1280 E C 0.224 176.846 176.600 0.036 0.000 0.293 1280 E CA -0.867 55.559 56.400 0.045 0.000 2.729 1280 E CB 0.273 29.990 29.700 0.028 0.000 2.276 1280 E HN 0.461 nan 8.360 nan 0.000 0.424 1281 R N 0.326 120.829 120.500 0.004 0.000 2.531 1281 R HA -0.029 4.311 4.340 -0.000 0.000 0.273 1281 R C -0.839 175.476 176.300 0.024 0.000 0.974 1281 R CA 0.301 56.385 56.100 -0.027 0.000 1.088 1281 R CB -0.076 30.183 30.300 -0.067 0.000 0.880 1281 R HN 0.109 nan 8.270 nan 0.000 0.426 1282 V N 2.712 122.669 119.914 0.071 0.000 2.653 1282 V HA 0.253 4.373 4.120 -0.000 0.000 0.298 1282 V C -0.337 175.862 176.094 0.175 0.000 1.097 1282 V CA -0.759 61.605 62.300 0.106 0.000 0.908 1282 V CB 1.976 33.862 31.823 0.106 0.000 1.024 1282 V HN 0.513 nan 8.190 nan 0.000 0.435 1283 V N 4.667 124.649 119.914 0.112 0.000 3.103 1283 V HA 0.642 4.762 4.120 -0.000 0.000 0.318 1283 V C -0.078 176.064 176.094 0.081 0.000 1.114 1283 V CA -0.865 61.514 62.300 0.132 0.000 1.020 1283 V CB 2.268 34.149 31.823 0.097 0.000 1.085 1283 V HN 0.811 nan 8.190 nan 0.000 0.446 1284 M N 2.373 122.036 119.600 0.105 0.000 2.664 1284 M HA 0.730 5.210 4.480 -0.000 0.000 0.314 1284 M C -1.118 175.278 176.300 0.160 0.000 1.200 1284 M CA -0.498 54.888 55.300 0.144 0.000 0.916 1284 M CB 2.037 34.751 32.600 0.190 0.000 1.717 1284 M HN 0.369 nan 8.290 nan 0.000 0.470 1285 M N 1.544 121.191 119.600 0.079 0.000 2.365 1285 M HA 0.311 4.791 4.480 -0.000 0.000 0.288 1285 M C -1.342 174.662 176.300 -0.492 0.000 1.152 1285 M CA -0.591 54.590 55.300 -0.198 0.000 0.948 1285 M CB 2.432 34.806 32.600 -0.378 0.000 1.729 1285 M HN 0.590 nan 8.290 nan 0.000 0.487 1286 K N 2.719 122.735 120.400 -0.639 0.000 2.244 1286 K HA 0.406 4.726 4.320 -0.000 0.000 0.263 1286 K C -1.191 175.287 176.600 -0.204 0.000 1.103 1286 K CA -0.014 55.807 56.287 -0.776 0.000 0.966 1286 K CB 0.431 32.307 32.500 -1.039 0.000 1.429 1286 K HN 0.571 nan 8.250 nan 0.000 0.434 1287 Y N 1.172 121.354 120.300 -0.197 0.000 2.300 1287 Y HA 0.065 4.615 4.550 -0.000 0.000 0.328 1287 Y C 0.630 176.497 175.900 -0.055 0.000 1.270 1287 Y CA -1.149 56.906 58.100 -0.076 0.000 1.352 1287 Y CB 0.992 39.459 38.460 0.011 0.000 1.286 1287 Y HN 0.390 nan 8.280 nan 0.000 0.536 1288 D N 2.991 123.464 120.400 0.122 0.000 2.347 1288 D HA 0.146 4.786 4.640 -0.000 0.000 0.235 1288 D C -0.434 175.913 176.300 0.078 0.000 1.149 1288 D CA -0.046 53.991 54.000 0.062 0.000 0.850 1288 D CB 0.966 41.782 40.800 0.026 0.000 1.061 1288 D HN 0.348 nan 8.370 nan 0.000 0.487 1289 R N 2.909 123.463 120.500 0.090 0.000 2.451 1289 R HA 0.209 4.548 4.340 -0.000 0.000 0.307 1289 R C -0.432 175.919 176.300 0.086 0.000 0.965 1289 R CA -0.677 55.480 56.100 0.096 0.000 0.865 1289 R CB 1.170 31.540 30.300 0.116 0.000 1.174 1289 R HN 0.184 nan 8.270 nan 0.000 0.455 1290 K N 2.242 122.709 120.400 0.111 0.000 2.202 1290 K HA 0.407 4.727 4.320 -0.000 0.000 0.264 1290 K C -0.669 176.014 176.600 0.138 0.000 1.010 1290 K CA -0.417 55.966 56.287 0.160 0.000 0.940 1290 K CB 1.593 34.241 32.500 0.247 0.000 0.983 1290 K HN 0.237 nan 8.250 nan 0.000 0.475 1291 V N 2.547 122.476 119.914 0.024 0.000 3.225 1291 V HA 0.152 4.272 4.120 -0.000 0.000 0.293 1291 V C -2.652 173.156 176.094 -0.476 0.000 1.405 1291 V CA -1.842 60.327 62.300 -0.219 0.000 1.038 1291 V CB 2.441 34.201 31.823 -0.106 0.000 1.123 1291 V HN 0.605 nan 8.190 nan 0.000 0.447 1292 P HA 0.112 nan 4.420 nan 0.000 0.258 1292 P C -0.211 176.941 177.300 -0.247 0.000 1.214 1292 P CA 0.714 63.517 63.100 -0.496 0.000 0.872 1292 P CB 0.272 31.750 31.700 -0.370 0.000 0.890 1293 S N 5.395 120.983 115.700 -0.186 0.000 2.580 1293 S HA 0.113 4.583 4.470 -0.000 0.000 0.266 1293 S C -0.707 173.844 174.600 -0.082 0.000 1.354 1293 S CA -1.216 56.926 58.200 -0.096 0.000 1.008 1293 S CB -0.111 63.058 63.200 -0.052 0.000 0.898 1293 S HN 0.321 nan 8.310 nan 0.000 0.555 1294 P HA -0.071 nan 4.420 nan 0.000 0.218 1294 P C 1.395 178.674 177.300 -0.035 0.000 1.149 1294 P CA 1.342 64.415 63.100 -0.045 0.000 0.817 1294 P CB -0.409 31.273 31.700 -0.030 0.000 0.785 1295 T N -2.536 112.004 114.554 -0.025 0.000 3.007 1295 T HA 0.136 4.486 4.350 -0.000 0.000 0.270 1295 T C 1.474 176.169 174.700 -0.009 0.000 1.107 1295 T CA 1.921 64.016 62.100 -0.009 0.000 1.118 1295 T CB -0.717 68.154 68.868 0.004 0.000 0.889 1295 T HN 0.323 nan 8.240 nan 0.000 0.506 1296 G N 0.388 109.170 108.800 -0.031 0.000 2.436 1296 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.204 1296 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.204 1296 G C -0.011 174.885 174.900 -0.007 0.000 1.026 1296 G CA -0.018 45.063 45.100 -0.032 0.000 0.658 1296 G HN 0.641 nan 8.290 nan 0.000 0.499 1297 E N -0.420 119.792 120.200 0.020 0.000 2.478 1297 E HA 0.337 4.687 4.350 -0.000 0.000 0.262 1297 E C -0.673 175.962 176.600 0.058 0.000 1.243 1297 E CA 0.181 56.624 56.400 0.071 0.000 1.039 1297 E CB 0.496 30.229 29.700 0.054 0.000 0.983 1297 E HN 0.334 nan 8.360 nan 0.000 0.479 1298 Y N -0.091 120.213 120.300 0.006 0.000 2.328 1298 Y HA 0.342 4.892 4.550 -0.000 0.000 0.337 1298 Y C -0.500 175.406 175.900 0.010 0.000 0.966 1298 Y CA -0.505 57.599 58.100 0.007 0.000 1.136 1298 Y CB 1.207 39.674 38.460 0.012 0.000 1.170 1298 Y HN 0.155 nan 8.280 nan 0.000 0.470 1299 V N 3.017 122.972 119.914 0.068 0.000 3.074 1299 V HA 0.398 4.518 4.120 -0.000 0.000 0.314 1299 V C -0.849 175.279 176.094 0.057 0.000 1.117 1299 V CA -1.916 60.421 62.300 0.062 0.000 1.014 1299 V CB 2.200 34.038 31.823 0.025 0.000 1.057 1299 V HN 0.515 nan 8.190 nan 0.000 0.438 1300 K N 1.857 122.287 120.400 0.051 0.000 2.167 1300 K HA 0.205 4.525 4.320 -0.000 0.000 0.275 1300 K C -0.062 176.556 176.600 0.030 0.000 1.103 1300 K CA 0.246 56.559 56.287 0.044 0.000 0.963 1300 K CB 0.328 32.850 32.500 0.036 0.000 1.243 1300 K HN 0.662 nan 8.250 nan 0.000 0.407 1301 E N 4.921 125.139 120.200 0.029 0.000 2.490 1301 E HA 0.112 4.462 4.350 -0.000 0.000 0.232 1301 E C -2.027 174.591 176.600 0.031 0.000 1.091 1301 E CA -2.320 54.094 56.400 0.023 0.000 1.050 1301 E CB 0.402 30.110 29.700 0.012 0.000 1.342 1301 E HN 0.344 nan 8.360 nan 0.000 0.454 1302 P HA -0.137 nan 4.420 nan 0.000 0.271 1302 P C -0.691 176.611 177.300 0.002 0.000 1.212 1302 P CA 0.662 63.760 63.100 -0.003 0.000 0.788 1302 P CB 0.507 32.174 31.700 -0.056 0.000 0.865 1303 E N -1.205 118.980 120.200 -0.026 0.000 2.390 1303 E HA 0.432 4.782 4.350 -0.000 0.000 0.280 1303 E C -1.594 174.958 176.600 -0.080 0.000 0.992 1303 E CA -0.984 55.431 56.400 0.026 0.000 0.790 1303 E CB 0.432 30.210 29.700 0.130 0.000 1.248 1303 E HN 0.265 nan 8.360 nan 0.000 0.447 1304 W N 1.380 122.689 121.300 0.014 0.000 2.303 1304 W HA 0.579 5.239 4.660 -0.000 0.000 0.334 1304 W C -0.472 175.987 176.519 -0.100 0.000 1.197 1304 W CA -0.114 57.195 57.345 -0.060 0.000 1.262 1304 W CB 1.546 30.982 29.460 -0.040 0.000 1.153 1304 W HN 0.353 nan 8.180 nan 0.000 0.596 1305 V N 2.865 122.782 119.914 0.004 0.000 3.178 1305 V HA 0.400 4.520 4.120 -0.000 0.000 0.302 1305 V C -0.596 175.411 176.094 -0.146 0.000 1.262 1305 V CA -1.360 60.855 62.300 -0.142 0.000 1.030 1305 V CB 1.886 33.468 31.823 -0.402 0.000 1.074 1305 V HN 0.283 nan 8.190 nan 0.000 0.438 1306 L N 2.038 123.189 121.223 -0.119 0.000 2.309 1306 L HA 0.626 4.966 4.340 -0.000 0.000 0.282 1306 L C -0.111 176.711 176.870 -0.080 0.000 1.036 1306 L CA -0.363 54.437 54.840 -0.067 0.000 0.806 1306 L CB 1.414 43.458 42.059 -0.025 0.000 1.220 1306 L HN 0.632 nan 8.230 nan 0.000 0.429 1307 E N 1.473 121.652 120.200 -0.035 0.000 2.187 1307 E HA 0.322 4.672 4.350 -0.000 0.000 0.268 1307 E C -0.660 175.946 176.600 0.010 0.000 0.896 1307 E CA -0.380 56.016 56.400 -0.007 0.000 0.766 1307 E CB 2.767 32.481 29.700 0.024 0.000 1.142 1307 E HN 0.499 nan 8.360 nan 0.000 0.408 1308 T N 0.563 115.122 114.554 0.007 0.000 2.891 1308 T HA 0.145 4.495 4.350 -0.000 0.000 0.294 1308 T C -0.144 174.561 174.700 0.008 0.000 1.065 1308 T CA -0.116 61.989 62.100 0.009 0.000 0.936 1308 T CB 0.500 69.369 68.868 0.001 0.000 1.415 1308 T HN 0.405 nan 8.240 nan 0.000 0.572 1309 D N -0.576 119.826 120.400 0.003 0.000 2.969 1309 D HA 0.300 4.940 4.640 -0.000 0.000 0.317 1309 D C -0.214 176.083 176.300 -0.006 0.000 1.650 1309 D CA -0.019 53.981 54.000 -0.001 0.000 0.789 1309 D CB 0.316 41.115 40.800 -0.003 0.000 1.277 1309 D HN 0.727 nan 8.370 nan 0.000 0.463 1310 G N -0.678 108.116 108.800 -0.009 0.000 2.559 1310 G HA2 0.497 4.457 3.960 -0.000 0.000 0.291 1310 G HA3 0.497 4.457 3.960 -0.000 0.000 0.291 1310 G C -1.716 173.172 174.900 -0.020 0.000 1.424 1310 G CA -0.354 44.735 45.100 -0.018 0.000 0.786 1310 G HN -0.060 nan 8.290 nan 0.000 0.485 1311 V N 1.680 121.579 119.914 -0.025 0.000 2.555 1311 V HA 0.489 4.608 4.120 -0.000 0.000 0.283 1311 V C -0.876 175.203 176.094 -0.024 0.000 1.020 1311 V CA -0.942 61.344 62.300 -0.022 0.000 0.883 1311 V CB 1.579 33.391 31.823 -0.019 0.000 1.030 1311 V HN 0.730 nan 8.190 nan 0.000 0.448 1312 N N 4.260 122.947 118.700 -0.022 0.000 2.727 1312 N HA 0.191 4.931 4.740 -0.000 0.000 0.252 1312 N C 0.383 175.888 175.510 -0.008 0.000 1.283 1312 N CA -0.369 52.669 53.050 -0.020 0.000 0.782 1312 N CB 1.692 40.161 38.487 -0.030 0.000 1.199 1312 N HN 0.547 nan 8.380 nan 0.000 0.520 1313 L N 3.072 124.294 121.223 -0.002 0.000 1.961 1313 L HA -0.103 4.237 4.340 -0.000 0.000 0.210 1313 L C 2.271 179.150 176.870 0.014 0.000 1.072 1313 L CA 2.332 57.177 54.840 0.010 0.000 0.749 1313 L CB -1.055 41.012 42.059 0.014 0.000 0.889 1313 L HN 0.588 nan 8.230 nan 0.000 0.432 1314 S N -1.325 114.382 115.700 0.011 0.000 2.453 1314 S HA -0.304 4.166 4.470 -0.000 0.000 0.250 1314 S C 1.532 176.139 174.600 0.012 0.000 1.044 1314 S CA 1.962 60.169 58.200 0.012 0.000 1.010 1314 S CB -0.734 62.470 63.200 0.006 0.000 0.793 1314 S HN 0.764 nan 8.310 nan 0.000 0.493 1315 E N -0.024 120.182 120.200 0.010 0.000 2.354 1315 E HA 0.153 4.503 4.350 -0.000 0.000 0.203 1315 E C 1.787 178.396 176.600 0.015 0.000 0.841 1315 E CA 0.554 56.960 56.400 0.010 0.000 1.046 1315 E CB 0.045 29.747 29.700 0.004 0.000 1.040 1315 E HN 0.369 nan 8.360 nan 0.000 0.504 1316 V N 2.015 121.938 119.914 0.015 0.000 3.026 1316 V HA -0.208 3.912 4.120 -0.000 0.000 0.265 1316 V C 2.198 178.311 176.094 0.032 0.000 1.121 1316 V CA 1.324 63.636 62.300 0.021 0.000 1.142 1316 V CB -0.498 31.337 31.823 0.020 0.000 0.730 1316 V HN 0.301 nan 8.190 nan 0.000 0.503 1317 M N 0.973 120.593 119.600 0.033 0.000 2.193 1317 M HA -0.084 4.396 4.480 -0.000 0.000 0.265 1317 M C 2.052 178.375 176.300 0.039 0.000 1.071 1317 M CA 1.924 57.250 55.300 0.043 0.000 1.140 1317 M CB -0.112 32.514 32.600 0.043 0.000 1.369 1317 M HN 0.554 nan 8.290 nan 0.000 0.423 1318 T N -0.887 113.685 114.554 0.029 0.000 3.434 1318 T HA 0.218 4.568 4.350 -0.000 0.000 0.249 1318 T C 0.036 174.750 174.700 0.023 0.000 1.050 1318 T CA -0.357 61.758 62.100 0.025 0.000 0.952 1318 T CB -0.970 67.910 68.868 0.019 0.000 1.046 1318 T HN 0.042 nan 8.240 nan 0.000 0.590 1319 V N 3.617 123.547 119.914 0.027 0.000 2.532 1319 V HA 0.462 4.582 4.120 -0.000 0.000 0.295 1319 V C -1.962 174.147 176.094 0.025 0.000 1.041 1319 V CA -2.230 60.083 62.300 0.022 0.000 0.926 1319 V CB 1.688 33.523 31.823 0.020 0.000 0.992 1319 V HN 0.399 nan 8.190 nan 0.000 0.457 1320 P HA 0.325 nan 4.420 nan 0.000 0.276 1320 P C 0.544 177.851 177.300 0.011 0.000 1.253 1320 P CA 0.635 63.744 63.100 0.015 0.000 0.766 1320 P CB 1.196 32.898 31.700 0.004 0.000 0.845 1321 G N 3.152 111.969 108.800 0.027 0.000 2.316 1321 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.203 1321 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.203 1321 G C 0.107 175.048 174.900 0.068 0.000 0.999 1321 G CA 0.094 45.210 45.100 0.026 0.000 0.649 1321 G HN 0.658 nan 8.290 nan 0.000 0.489 1322 I N -1.729 118.885 120.570 0.072 0.000 3.062 1322 I HA 0.778 4.948 4.170 -0.000 0.000 0.316 1322 I C -0.811 175.372 176.117 0.110 0.000 1.041 1322 I CA -1.130 60.230 61.300 0.099 0.000 1.069 1322 I CB 1.705 39.759 38.000 0.090 0.000 1.300 1322 I HN -0.095 nan 8.210 nan 0.000 0.518 1323 D N 3.930 124.413 120.400 0.138 0.000 2.485 1323 D HA 0.277 4.916 4.640 -0.000 0.000 0.221 1323 D C -1.920 174.450 176.300 0.117 0.000 1.112 1323 D CA -1.905 52.165 54.000 0.116 0.000 0.911 1323 D CB 1.225 42.092 40.800 0.113 0.000 1.019 1323 D HN 0.387 nan 8.370 nan 0.000 0.516 1324 P HA 0.018 nan 4.420 nan 0.000 0.269 1324 P C 0.653 177.997 177.300 0.073 0.000 1.376 1324 P CA 0.256 63.405 63.100 0.082 0.000 0.775 1324 P CB 0.425 32.162 31.700 0.061 0.000 1.345 1325 T N -0.781 113.814 114.554 0.069 0.000 2.964 1325 T HA 0.183 4.533 4.350 -0.000 0.000 0.249 1325 T C 1.483 176.210 174.700 0.044 0.000 1.000 1325 T CA 0.211 62.337 62.100 0.043 0.000 0.992 1325 T CB 0.292 69.168 68.868 0.013 0.000 1.087 1325 T HN 0.172 nan 8.240 nan 0.000 0.489 1326 R N 0.516 121.053 120.500 0.062 0.000 2.397 1326 R HA 0.432 4.771 4.340 -0.000 0.000 0.241 1326 R C 0.469 176.944 176.300 0.292 0.000 0.914 1326 R CA -0.195 55.928 56.100 0.038 0.000 1.071 1326 R CB 0.534 30.686 30.300 -0.246 0.000 1.116 1326 R HN 0.333 nan 8.270 nan 0.000 0.524 1327 I N 1.359 122.099 120.570 0.282 0.000 2.710 1327 I HA -0.078 4.092 4.170 -0.000 0.000 0.286 1327 I C -1.002 175.328 176.117 0.356 0.000 1.181 1327 I CA 0.311 61.798 61.300 0.312 0.000 1.430 1327 I CB 0.292 38.405 38.000 0.188 0.000 1.367 1327 I HN 0.034 nan 8.210 nan 0.000 0.577 1328 Y N 5.991 126.407 120.300 0.194 0.000 2.396 1328 Y HA 0.411 4.961 4.550 -0.000 0.000 0.332 1328 Y C -0.900 175.071 175.900 0.118 0.000 1.034 1328 Y CA -0.611 57.586 58.100 0.161 0.000 1.057 1328 Y CB 1.787 40.370 38.460 0.205 0.000 1.220 1328 Y HN 0.516 nan 8.280 nan 0.000 0.440 1329 T N 5.056 119.226 114.554 -0.641 0.000 2.856 1329 T HA 0.177 4.527 4.350 -0.000 0.000 0.283 1329 T C 0.693 174.910 174.700 -0.806 0.000 1.008 1329 T CA -0.621 61.172 62.100 -0.511 0.000 0.997 1329 T CB 0.864 69.612 68.868 -0.200 0.000 0.992 1329 T HN 0.758 nan 8.240 nan 0.000 0.454 1330 N N 0.895 119.323 118.700 -0.454 0.000 2.457 1330 N HA -0.027 4.713 4.740 -0.000 0.000 0.180 1330 N C 0.822 176.286 175.510 -0.076 0.000 1.050 1330 N CA 0.177 53.054 53.050 -0.289 0.000 0.906 1330 N CB 0.126 38.552 38.487 -0.101 0.000 0.968 1330 N HN 0.301 nan 8.380 nan 0.000 0.445 1331 S N 0.768 116.465 115.700 -0.004 0.000 3.072 1331 S HA 0.132 4.602 4.470 -0.000 0.000 0.306 1331 S C 0.805 175.591 174.600 0.310 0.000 1.207 1331 S CA -0.895 57.430 58.200 0.208 0.000 1.008 1331 S CB -1.257 62.002 63.200 0.099 0.000 1.390 1331 S HN 0.391 nan 8.310 nan 0.000 0.523 1332 F N 2.568 122.512 119.950 -0.010 0.000 2.192 1332 F HA -0.128 4.399 4.527 -0.000 0.000 0.301 1332 F C 1.832 177.649 175.800 0.030 0.000 1.079 1332 F CA 0.259 58.280 58.000 0.034 0.000 1.303 1332 F CB -0.457 38.589 39.000 0.076 0.000 1.024 1332 F HN 0.416 nan 8.300 nan 0.000 0.494 1333 I N 2.038 122.414 120.570 -0.324 0.000 2.113 1333 I HA -0.315 3.855 4.170 -0.000 0.000 0.242 1333 I C 2.186 178.237 176.117 -0.110 0.000 1.064 1333 I CA 1.872 62.957 61.300 -0.359 0.000 1.320 1333 I CB -0.948 36.872 38.000 -0.300 0.000 1.028 1333 I HN 0.291 nan 8.210 nan 0.000 0.406 1334 D N 0.462 120.845 120.400 -0.028 0.000 2.081 1334 D HA -0.141 4.498 4.640 -0.000 0.000 0.194 1334 D C 2.193 178.507 176.300 0.023 0.000 0.986 1334 D CA 1.161 55.160 54.000 -0.003 0.000 0.837 1334 D CB -0.298 40.505 40.800 0.005 0.000 0.985 1334 D HN 0.307 nan 8.370 nan 0.000 0.448 1335 I N 1.198 121.802 120.570 0.057 0.000 2.707 1335 I HA -0.261 3.909 4.170 -0.000 0.000 0.266 1335 I C 2.299 178.470 176.117 0.091 0.000 1.215 1335 I CA 0.638 61.991 61.300 0.089 0.000 1.442 1335 I CB -0.127 37.958 38.000 0.142 0.000 1.108 1335 I HN 0.123 nan 8.210 nan 0.000 0.464 1336 M N 0.207 119.844 119.600 0.061 0.000 2.447 1336 M HA -0.068 4.412 4.480 -0.000 0.000 0.266 1336 M C 1.885 178.199 176.300 0.023 0.000 1.120 1336 M CA 1.520 56.847 55.300 0.045 0.000 1.166 1336 M CB -0.119 32.489 32.600 0.013 0.000 1.349 1336 M HN 0.158 nan 8.290 nan 0.000 0.463 1337 E N -0.280 119.923 120.200 0.005 0.000 2.150 1337 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 1337 E C 1.921 178.528 176.600 0.012 0.000 0.985 1337 E CA 1.172 57.572 56.400 0.001 0.000 0.814 1337 E CB 0.192 29.885 29.700 -0.011 0.000 0.752 1337 E HN 0.368 nan 8.360 nan 0.000 0.466 1338 V N 0.823 120.751 119.914 0.022 0.000 2.398 1338 V HA -0.110 4.009 4.120 -0.000 0.000 0.236 1338 V C 2.185 178.300 176.094 0.036 0.000 1.054 1338 V CA 0.778 63.094 62.300 0.027 0.000 1.060 1338 V CB -0.423 31.419 31.823 0.031 0.000 0.707 1338 V HN 0.179 nan 8.190 nan 0.000 0.480 1339 L N 0.593 121.846 121.223 0.049 0.000 2.201 1339 L HA 0.240 4.580 4.340 -0.000 0.000 0.212 1339 L C 1.072 177.972 176.870 0.049 0.000 1.105 1339 L CA 1.158 56.032 54.840 0.056 0.000 0.775 1339 L CB -0.661 41.445 42.059 0.079 0.000 0.913 1339 L HN 0.660 nan 8.230 nan 0.000 0.440 1340 G N -0.358 108.471 108.800 0.048 0.000 3.434 1340 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.686 1340 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.686 1340 G C 0.351 175.282 174.900 0.052 0.000 1.099 1340 G CA -0.189 44.936 45.100 0.042 0.000 0.931 1340 G HN 0.099 nan 8.290 nan 0.000 0.520 1341 I N 0.575 121.173 120.570 0.047 0.000 2.972 1341 I HA -0.390 3.780 4.170 -0.000 0.000 0.209 1341 I C 2.549 178.707 176.117 0.068 0.000 0.859 1341 I CA 2.743 64.076 61.300 0.055 0.000 1.161 1341 I CB 0.054 38.082 38.000 0.046 0.000 0.895 1341 I HN 0.802 nan 8.210 nan 0.000 0.355 1342 E N 0.433 120.668 120.200 0.058 0.000 2.136 1342 E HA -0.306 4.044 4.350 -0.000 0.000 0.202 1342 E C 2.042 178.683 176.600 0.068 0.000 1.019 1342 E CA 1.863 58.298 56.400 0.058 0.000 0.819 1342 E CB -0.421 29.304 29.700 0.043 0.000 0.739 1342 E HN 0.756 nan 8.360 nan 0.000 0.458 1343 A N 0.444 123.307 122.820 0.072 0.000 1.929 1343 A HA -0.012 4.308 4.320 -0.000 0.000 0.216 1343 A C 2.463 180.127 177.584 0.133 0.000 1.176 1343 A CA 1.704 53.796 52.037 0.090 0.000 0.628 1343 A CB -0.817 18.235 19.000 0.086 0.000 0.816 1343 A HN 0.341 nan 8.150 nan 0.000 0.444 1344 G N -0.400 108.479 108.800 0.132 0.000 2.421 1344 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.216 1344 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.216 1344 G C 1.719 176.745 174.900 0.210 0.000 1.171 1344 G CA 1.005 46.212 45.100 0.178 0.000 0.775 1344 G HN 0.523 nan 8.290 nan 0.000 0.543 1345 R N 0.576 121.172 120.500 0.160 0.000 2.122 1345 R HA -0.191 4.149 4.340 -0.000 0.000 0.236 1345 R C 2.927 179.341 176.300 0.190 0.000 1.129 1345 R CA 1.975 58.172 56.100 0.162 0.000 0.925 1345 R CB -0.714 29.650 30.300 0.107 0.000 0.850 1345 R HN 0.277 nan 8.270 nan 0.000 0.431 1346 A N 0.392 123.302 122.820 0.149 0.000 1.954 1346 A HA -0.301 4.019 4.320 -0.000 0.000 0.222 1346 A C 2.337 180.052 177.584 0.218 0.000 1.199 1346 A CA 2.526 54.652 52.037 0.148 0.000 0.657 1346 A CB -0.932 18.123 19.000 0.092 0.000 0.823 1346 A HN 0.663 nan 8.150 nan 0.000 0.463 1347 A N -0.878 122.093 122.820 0.252 0.000 1.854 1347 A HA 0.091 4.411 4.320 -0.000 0.000 0.214 1347 A C 2.113 179.833 177.584 0.225 0.000 1.192 1347 A CA 1.625 53.856 52.037 0.324 0.000 0.611 1347 A CB -0.759 18.491 19.000 0.417 0.000 0.832 1347 A HN 0.947 nan 8.150 nan 0.000 0.442 1348 L N -1.064 120.307 121.223 0.247 0.000 2.021 1348 L HA -0.236 4.104 4.340 -0.000 0.000 0.215 1348 L C 2.263 179.176 176.870 0.070 0.000 1.074 1348 L CA 2.801 57.728 54.840 0.144 0.000 0.760 1348 L CB -1.200 41.059 42.059 0.334 0.000 0.889 1348 L HN 0.555 nan 8.230 nan 0.000 0.433 1349 Y N 0.473 120.807 120.300 0.056 0.000 2.070 1349 Y HA -0.287 4.263 4.550 -0.000 0.000 0.279 1349 Y C 2.800 178.746 175.900 0.077 0.000 1.134 1349 Y CA 2.511 60.633 58.100 0.037 0.000 1.113 1349 Y CB -0.490 37.973 38.460 0.004 0.000 0.981 1349 Y HN 0.247 nan 8.280 nan 0.000 0.487 1350 K N -0.084 120.430 120.400 0.190 0.000 2.107 1350 K HA -0.351 3.969 4.320 -0.000 0.000 0.211 1350 K C 2.072 178.689 176.600 0.028 0.000 1.049 1350 K CA 2.210 58.561 56.287 0.107 0.000 0.927 1350 K CB -0.281 32.279 32.500 0.100 0.000 0.714 1350 K HN 0.366 nan 8.250 nan 0.000 0.452 1351 E N 0.140 120.340 120.200 0.000 0.000 2.001 1351 E HA -0.150 4.200 4.350 -0.000 0.000 0.195 1351 E C 1.871 178.394 176.600 -0.128 0.000 1.002 1351 E CA 1.701 58.062 56.400 -0.065 0.000 0.819 1351 E CB -0.346 29.221 29.700 -0.222 0.000 0.769 1351 E HN 0.138 nan 8.360 nan 0.000 0.454 1352 V N 0.720 120.526 119.914 -0.180 0.000 2.317 1352 V HA -0.319 3.800 4.120 -0.000 0.000 0.251 1352 V C 2.261 178.237 176.094 -0.197 0.000 1.065 1352 V CA 2.298 64.493 62.300 -0.175 0.000 1.049 1352 V CB -0.866 30.860 31.823 -0.161 0.000 0.651 1352 V HN 0.438 nan 8.190 nan 0.000 0.450 1353 Y N 1.490 121.550 120.300 -0.400 0.000 2.256 1353 Y HA -0.222 4.328 4.550 -0.000 0.000 0.288 1353 Y C 2.414 178.225 175.900 -0.148 0.000 1.155 1353 Y CA 1.937 59.832 58.100 -0.342 0.000 1.203 1353 Y CB -0.408 37.754 38.460 -0.496 0.000 0.980 1353 Y HN 0.291 nan 8.280 nan 0.000 0.530 1354 N N -0.265 118.284 118.700 -0.252 0.000 2.354 1354 N HA -0.109 4.631 4.740 -0.000 0.000 0.179 1354 N C 1.753 177.122 175.510 -0.235 0.000 1.021 1354 N CA 1.381 54.275 53.050 -0.259 0.000 0.887 1354 N CB 0.034 38.487 38.487 -0.056 0.000 0.974 1354 N HN 0.314 nan 8.380 nan 0.000 0.437 1355 V N 1.333 121.134 119.914 -0.188 0.000 2.759 1355 V HA -0.091 4.029 4.120 -0.000 0.000 0.256 1355 V C 1.951 177.955 176.094 -0.151 0.000 1.080 1355 V CA 1.069 63.286 62.300 -0.139 0.000 1.101 1355 V CB -0.244 31.513 31.823 -0.110 0.000 0.698 1355 V HN 0.253 nan 8.190 nan 0.000 0.477 1356 I N -0.151 120.292 120.570 -0.212 0.000 3.645 1356 I HA 0.134 4.304 4.170 -0.000 0.000 0.300 1356 I C 2.334 178.326 176.117 -0.208 0.000 1.260 1356 I CA 0.827 62.024 61.300 -0.172 0.000 1.365 1356 I CB -0.157 37.763 38.000 -0.132 0.000 1.077 1356 I HN 0.222 nan 8.210 nan 0.000 0.439 1357 A N 0.799 123.405 122.820 -0.356 0.000 2.081 1357 A HA -0.058 4.262 4.320 -0.000 0.000 0.214 1357 A C 2.314 179.792 177.584 -0.176 0.000 1.158 1357 A CA 1.110 52.947 52.037 -0.333 0.000 0.724 1357 A CB -0.374 18.258 19.000 -0.614 0.000 0.826 1357 A HN 0.422 nan 8.150 nan 0.000 0.463 1358 S N -0.636 114.972 115.700 -0.153 0.000 2.555 1358 S HA -0.053 4.417 4.470 -0.000 0.000 0.230 1358 S C 0.942 175.504 174.600 -0.065 0.000 0.978 1358 S CA 1.020 59.166 58.200 -0.091 0.000 0.934 1358 S CB -0.106 63.047 63.200 -0.079 0.000 0.766 1358 S HN 0.510 nan 8.310 nan 0.000 0.533 1359 D N 0.801 121.160 120.400 -0.069 0.000 2.398 1359 D HA 0.231 4.870 4.640 -0.000 0.000 0.210 1359 D C 1.250 177.532 176.300 -0.029 0.000 1.094 1359 D CA 0.560 54.533 54.000 -0.044 0.000 0.839 1359 D CB 0.458 41.231 40.800 -0.045 0.000 0.963 1359 D HN 0.551 nan 8.370 nan 0.000 0.506 1360 G N 1.188 109.967 108.800 -0.034 0.000 2.153 1360 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.252 1360 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.252 1360 G C 0.387 175.295 174.900 0.014 0.000 0.994 1360 G CA 0.538 45.631 45.100 -0.011 0.000 0.698 1360 G HN 0.294 nan 8.290 nan 0.000 0.521 1361 S N -0.712 114.994 115.700 0.010 0.000 2.654 1361 S HA 0.697 5.167 4.470 -0.000 0.000 0.283 1361 S C -0.666 174.012 174.600 0.129 0.000 1.180 1361 S CA -0.503 57.725 58.200 0.048 0.000 1.021 1361 S CB 1.728 64.934 63.200 0.010 0.000 1.018 1361 S HN 0.737 nan 8.310 nan 0.000 0.532 1362 Y N 1.447 121.755 120.300 0.013 0.000 2.425 1362 Y HA 0.679 5.228 4.550 -0.000 0.000 0.344 1362 Y C -1.445 174.510 175.900 0.092 0.000 0.969 1362 Y CA -1.534 56.601 58.100 0.059 0.000 1.052 1362 Y CB 0.806 39.304 38.460 0.064 0.000 1.215 1362 Y HN 0.350 nan 8.280 nan 0.000 0.451 1363 V N 6.450 126.509 119.914 0.242 0.000 2.577 1363 V HA 0.263 4.383 4.120 -0.000 0.000 0.303 1363 V C -0.401 175.779 176.094 0.143 0.000 1.042 1363 V CA -1.271 61.050 62.300 0.034 0.000 0.872 1363 V CB 1.776 33.694 31.823 0.158 0.000 0.998 1363 V HN 0.858 nan 8.190 nan 0.000 0.423 1364 N N 3.445 122.126 118.700 -0.032 0.000 2.427 1364 N HA 0.032 4.772 4.740 -0.000 0.000 0.269 1364 N C 0.991 176.596 175.510 0.158 0.000 1.235 1364 N CA -0.042 53.073 53.050 0.109 0.000 0.934 1364 N CB 0.225 38.683 38.487 -0.048 0.000 1.121 1364 N HN 0.714 nan 8.380 nan 0.000 0.480 1365 Y N 5.022 125.454 120.300 0.220 0.000 1.657 1365 Y HA -0.553 3.997 4.550 -0.000 0.000 0.129 1365 Y C 2.077 178.004 175.900 0.045 0.000 0.911 1365 Y CA 3.116 61.329 58.100 0.188 0.000 0.638 1365 Y CB -0.546 37.955 38.460 0.068 0.000 0.592 1365 Y HN 0.704 nan 8.280 nan 0.000 0.685 1366 R N -1.623 118.921 120.500 0.074 0.000 2.386 1366 R HA -0.366 3.974 4.340 -0.000 0.000 0.252 1366 R C 1.764 177.979 176.300 -0.141 0.000 1.058 1366 R CA 2.285 58.279 56.100 -0.176 0.000 0.938 1366 R CB -1.699 28.351 30.300 -0.417 0.000 0.931 1366 R HN 0.649 nan 8.270 nan 0.000 0.455 1367 H N 0.610 119.725 119.070 0.074 0.000 2.276 1367 H HA 0.020 4.576 4.556 -0.000 0.000 0.301 1367 H C 2.380 177.725 175.328 0.028 0.000 1.073 1367 H CA 1.942 58.030 56.048 0.066 0.000 1.311 1367 H CB -0.466 29.330 29.762 0.058 0.000 1.379 1367 H HN 0.295 nan 8.280 nan 0.000 0.494 1368 M N 0.422 120.124 119.600 0.169 0.000 2.159 1368 M HA -0.075 4.405 4.480 -0.000 0.000 0.263 1368 M C 2.721 179.073 176.300 0.087 0.000 1.063 1368 M CA 1.237 56.608 55.300 0.117 0.000 1.110 1368 M CB -0.269 32.401 32.600 0.116 0.000 1.374 1368 M HN 0.235 nan 8.290 nan 0.000 0.411 1369 A N 1.198 123.964 122.820 -0.091 0.000 1.837 1369 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 1369 A C 2.066 179.596 177.584 -0.091 0.000 1.210 1369 A CA 1.878 53.720 52.037 -0.326 0.000 0.632 1369 A CB -1.210 17.327 19.000 -0.771 0.000 0.843 1369 A HN 0.406 nan 8.150 nan 0.000 0.448 1370 L N -0.451 120.751 121.223 -0.035 0.000 2.012 1370 L HA -0.272 4.068 4.340 -0.000 0.000 0.236 1370 L C 2.401 179.282 176.870 0.019 0.000 1.099 1370 L CA 2.820 57.678 54.840 0.030 0.000 0.821 1370 L CB -1.126 40.996 42.059 0.105 0.000 0.918 1370 L HN 0.536 nan 8.230 nan 0.000 0.445 1371 L N -1.037 120.200 121.223 0.025 0.000 2.011 1371 L HA -0.257 4.083 4.340 -0.000 0.000 0.225 1371 L C 2.465 179.351 176.870 0.025 0.000 1.084 1371 L CA 2.373 57.216 54.840 0.006 0.000 0.791 1371 L CB -1.065 40.996 42.059 0.004 0.000 0.898 1371 L HN 0.215 nan 8.230 nan 0.000 0.440 1372 V N 0.076 120.021 119.914 0.052 0.000 2.469 1372 V HA -0.311 3.809 4.120 -0.000 0.000 0.251 1372 V C 2.124 178.258 176.094 0.066 0.000 1.064 1372 V CA 2.373 64.724 62.300 0.086 0.000 1.066 1372 V CB -0.690 31.218 31.823 0.142 0.000 0.667 1372 V HN 0.643 nan 8.190 nan 0.000 0.461 1373 D N -0.738 119.682 120.400 0.033 0.000 2.162 1373 D HA -0.076 4.564 4.640 -0.000 0.000 0.203 1373 D C 2.123 178.434 176.300 0.018 0.000 0.967 1373 D CA 1.330 55.343 54.000 0.023 0.000 0.840 1373 D CB 0.055 40.857 40.800 0.003 0.000 0.972 1373 D HN 0.423 nan 8.370 nan 0.000 0.482 1374 V N 1.598 121.517 119.914 0.008 0.000 2.343 1374 V HA -0.228 3.892 4.120 -0.000 0.000 0.247 1374 V C 2.521 178.627 176.094 0.021 0.000 1.051 1374 V CA 1.312 63.609 62.300 -0.004 0.000 1.036 1374 V CB -0.500 31.299 31.823 -0.040 0.000 0.654 1374 V HN 0.173 nan 8.190 nan 0.000 0.451 1375 M N -0.467 119.156 119.600 0.038 0.000 2.460 1375 M HA -0.116 4.364 4.480 -0.000 0.000 0.263 1375 M C 2.114 178.458 176.300 0.074 0.000 1.071 1375 M CA 1.814 57.155 55.300 0.070 0.000 1.096 1375 M CB -0.355 32.301 32.600 0.094 0.000 1.408 1375 M HN 0.475 nan 8.290 nan 0.000 0.463 1376 T N -0.778 113.814 114.554 0.063 0.000 3.026 1376 T HA -0.017 4.333 4.350 -0.000 0.000 0.245 1376 T C 1.786 176.515 174.700 0.048 0.000 1.004 1376 T CA 1.169 63.307 62.100 0.063 0.000 1.069 1376 T CB -0.182 68.731 68.868 0.075 0.000 1.005 1376 T HN 0.510 nan 8.240 nan 0.000 0.472 1377 T N 1.275 115.851 114.554 0.036 0.000 2.505 1377 T HA -0.316 4.034 4.350 -0.000 0.000 0.259 1377 T C 1.881 176.602 174.700 0.034 0.000 1.158 1377 T CA 1.830 63.947 62.100 0.027 0.000 1.190 1377 T CB -1.196 67.673 68.868 0.003 0.000 0.864 1377 T HN 0.413 nan 8.240 nan 0.000 0.413 1378 Q N 1.311 121.131 119.800 0.034 0.000 2.265 1378 Q HA -0.285 4.055 4.340 -0.000 0.000 0.219 1378 Q C 2.041 178.064 176.000 0.038 0.000 1.031 1378 Q CA 2.498 58.324 55.803 0.039 0.000 0.949 1378 Q CB -0.770 27.997 28.738 0.050 0.000 1.022 1378 Q HN 0.929 nan 8.270 nan 0.000 0.419 1379 G N -3.015 105.808 108.800 0.038 0.000 4.316 1379 G HA2 0.087 4.047 3.960 -0.000 0.000 0.196 1379 G HA3 0.087 4.047 3.960 -0.000 0.000 0.196 1379 G C 0.315 175.234 174.900 0.031 0.000 1.059 1379 G CA 0.340 45.461 45.100 0.034 0.000 0.917 1379 G HN 0.585 nan 8.290 nan 0.000 0.309 1380 G N -0.198 108.619 108.800 0.028 0.000 3.259 1380 G HA2 0.536 4.496 3.960 -0.000 0.000 0.193 1380 G HA3 0.536 4.496 3.960 -0.000 0.000 0.193 1380 G C -0.924 173.988 174.900 0.020 0.000 1.457 1380 G CA -0.397 44.714 45.100 0.018 0.000 0.771 1380 G HN 0.471 nan 8.290 nan 0.000 0.765 1381 L N 2.258 123.481 121.223 0.000 0.000 2.301 1381 L HA 0.399 4.739 4.340 -0.000 0.000 0.278 1381 L C -0.531 176.357 176.870 0.029 0.000 1.022 1381 L CA -0.350 54.492 54.840 0.002 0.000 0.854 1381 L CB 1.638 43.650 42.059 -0.080 0.000 1.226 1381 L HN 0.207 nan 8.230 nan 0.000 0.429 1382 T N 1.306 115.899 114.554 0.065 0.000 2.747 1382 T HA 0.162 4.511 4.350 -0.000 0.000 0.301 1382 T C 0.504 175.282 174.700 0.130 0.000 0.952 1382 T CA -0.468 61.689 62.100 0.094 0.000 0.983 1382 T CB 0.657 69.590 68.868 0.108 0.000 0.930 1382 T HN 0.641 nan 8.240 nan 0.000 0.494 1383 S N 2.400 118.180 115.700 0.133 0.000 2.549 1383 S HA 0.112 4.582 4.470 -0.000 0.000 0.283 1383 S C 0.743 175.497 174.600 0.257 0.000 1.320 1383 S CA -0.909 57.390 58.200 0.166 0.000 1.058 1383 S CB 0.472 63.760 63.200 0.147 0.000 0.882 1383 S HN 0.434 nan 8.310 nan 0.000 0.498 1384 V N 3.830 123.900 119.914 0.261 0.000 2.159 1384 V HA 0.198 4.318 4.120 -0.000 0.000 0.296 1384 V C 0.314 176.665 176.094 0.428 0.000 1.762 1384 V CA 0.118 62.650 62.300 0.388 0.000 1.708 1384 V CB -2.001 29.910 31.823 0.146 0.000 1.484 1384 V HN 1.021 nan 8.190 nan 0.000 0.512 1385 T N -0.176 114.571 114.554 0.323 0.000 2.868 1385 T HA 0.290 4.640 4.350 -0.000 0.000 0.306 1385 T C 1.039 175.672 174.700 -0.112 0.000 1.224 1385 T CA -0.771 61.420 62.100 0.152 0.000 1.012 1385 T CB 2.172 71.129 68.868 0.148 0.000 1.221 1385 T HN 0.360 nan 8.240 nan 0.000 0.499 1386 R N 0.596 120.954 120.500 -0.237 0.000 2.228 1386 R HA -0.256 4.084 4.340 -0.000 0.000 0.259 1386 R C 0.930 176.992 176.300 -0.397 0.000 1.183 1386 R CA 1.992 57.785 56.100 -0.511 0.000 1.002 1386 R CB -0.398 29.521 30.300 -0.636 0.000 0.879 1386 R HN 0.644 nan 8.270 nan 0.000 0.467 1387 H N -1.329 117.669 119.070 -0.121 0.000 2.551 1387 H HA 0.175 4.731 4.556 -0.000 0.000 0.266 1387 H C 1.284 176.574 175.328 -0.063 0.000 0.977 1387 H CA 0.978 56.979 56.048 -0.079 0.000 1.163 1387 H CB 0.700 30.441 29.762 -0.034 0.000 1.381 1387 H HN 0.513 nan 8.280 nan 0.000 0.581 1388 G N 0.208 109.016 108.800 0.013 0.000 2.665 1388 G HA2 0.002 3.962 3.960 -0.000 0.000 0.204 1388 G HA3 0.002 3.962 3.960 -0.000 0.000 0.204 1388 G C 0.916 175.819 174.900 0.006 0.000 1.883 1388 G CA 0.125 45.250 45.100 0.042 0.000 0.734 1388 G HN 0.223 nan 8.290 nan 0.000 0.811 1389 F N 1.747 121.741 119.950 0.074 0.000 2.380 1389 F HA -0.031 4.496 4.527 -0.000 0.000 0.299 1389 F C 1.101 176.948 175.800 0.078 0.000 1.064 1389 F CA 1.277 59.316 58.000 0.065 0.000 1.432 1389 F CB -0.484 38.548 39.000 0.053 0.000 1.089 1389 F HN 0.149 nan 8.300 nan 0.000 0.562 1390 N N 0.502 118.869 118.700 -0.556 0.000 2.376 1390 N HA 0.126 4.866 4.740 -0.000 0.000 0.249 1390 N C 1.209 176.622 175.510 -0.161 0.000 1.140 1390 N CA 0.039 52.858 53.050 -0.385 0.000 0.870 1390 N CB -0.132 38.026 38.487 -0.548 0.000 1.124 1390 N HN 0.687 nan 8.380 nan 0.000 0.505 1391 R N -1.872 118.589 120.500 -0.066 0.000 2.568 1391 R HA 0.226 4.566 4.340 -0.000 0.000 0.254 1391 R C 0.153 176.463 176.300 0.016 0.000 0.925 1391 R CA -0.144 55.939 56.100 -0.029 0.000 1.025 1391 R CB -0.308 29.979 30.300 -0.022 0.000 1.428 1391 R HN 0.114 nan 8.270 nan 0.000 0.573 1392 S N 1.241 116.972 115.700 0.052 0.000 2.572 1392 S HA -0.016 4.454 4.470 -0.000 0.000 0.262 1392 S C 0.544 175.177 174.600 0.055 0.000 1.375 1392 S CA 0.003 58.243 58.200 0.067 0.000 0.996 1392 S CB 0.250 63.512 63.200 0.103 0.000 0.892 1392 S HN 0.381 nan 8.310 nan 0.000 0.562 1393 N N 0.613 119.344 118.700 0.051 0.000 2.635 1393 N HA -0.045 4.695 4.740 -0.000 0.000 0.191 1393 N C 0.025 175.565 175.510 0.050 0.000 1.155 1393 N CA 0.662 53.739 53.050 0.045 0.000 0.927 1393 N CB -0.886 37.625 38.487 0.040 0.000 0.976 1393 N HN 0.639 nan 8.380 nan 0.000 0.448 1394 T N 0.689 115.279 114.554 0.061 0.000 2.940 1394 T HA 0.210 4.560 4.350 -0.000 0.000 0.309 1394 T C 1.371 176.108 174.700 0.063 0.000 1.056 1394 T CA -0.316 61.824 62.100 0.065 0.000 1.137 1394 T CB 0.950 69.870 68.868 0.087 0.000 0.976 1394 T HN 0.196 nan 8.240 nan 0.000 0.547 1395 G N 0.891 109.730 108.800 0.065 0.000 2.939 1395 G HA2 0.279 4.239 3.960 -0.000 0.000 0.257 1395 G HA3 0.279 4.239 3.960 -0.000 0.000 0.257 1395 G C 1.130 176.080 174.900 0.084 0.000 1.259 1395 G CA -0.211 44.938 45.100 0.081 0.000 0.928 1395 G HN 0.917 nan 8.290 nan 0.000 0.615 1396 A N -0.475 122.419 122.820 0.124 0.000 1.824 1396 A HA 0.070 4.389 4.320 -0.000 0.000 0.215 1396 A C 2.544 180.159 177.584 0.052 0.000 1.244 1396 A CA 1.427 53.496 52.037 0.055 0.000 0.604 1396 A CB -0.839 18.155 19.000 -0.010 0.000 0.900 1396 A HN 0.666 nan 8.150 nan 0.000 0.455 1397 L N -1.012 120.287 121.223 0.127 0.000 2.186 1397 L HA -0.365 3.975 4.340 -0.000 0.000 0.221 1397 L C 2.813 179.718 176.870 0.059 0.000 1.087 1397 L CA 2.280 57.177 54.840 0.095 0.000 0.794 1397 L CB -0.503 41.633 42.059 0.129 0.000 0.893 1397 L HN 0.662 nan 8.230 nan 0.000 0.442 1398 M N -0.478 119.161 119.600 0.066 0.000 2.098 1398 M HA -0.185 4.295 4.480 -0.000 0.000 0.262 1398 M C 2.397 178.752 176.300 0.092 0.000 1.072 1398 M CA 1.694 57.036 55.300 0.070 0.000 1.133 1398 M CB -0.036 32.609 32.600 0.074 0.000 1.344 1398 M HN 0.056 nan 8.290 nan 0.000 0.414 1399 R N -0.714 119.835 120.500 0.082 0.000 2.237 1399 R HA -0.111 4.229 4.340 -0.000 0.000 0.219 1399 R C 2.378 178.701 176.300 0.038 0.000 1.080 1399 R CA 1.043 57.192 56.100 0.083 0.000 0.995 1399 R CB -0.854 29.459 30.300 0.022 0.000 0.875 1399 R HN 0.520 nan 8.270 nan 0.000 0.462 1400 C N 1.337 120.642 119.300 0.008 0.000 2.425 1400 C HA -0.051 4.409 4.460 -0.000 0.000 0.277 1400 C C 1.827 176.821 174.990 0.008 0.000 1.280 1400 C CA 1.262 60.260 59.018 -0.034 0.000 1.744 1400 C CB -0.726 26.984 27.740 -0.050 0.000 1.989 1400 C HN 0.488 nan 8.230 nan 0.000 0.491 1401 S N -0.671 115.067 115.700 0.063 0.000 3.122 1401 S HA 0.385 4.855 4.470 -0.000 0.000 0.249 1401 S C -0.402 174.331 174.600 0.222 0.000 1.334 1401 S CA -0.229 58.026 58.200 0.093 0.000 1.251 1401 S CB -0.760 62.481 63.200 0.067 0.000 1.034 1401 S HN 0.556 nan 8.310 nan 0.000 0.478 1402 F N 0.481 120.411 119.950 -0.034 0.000 2.656 1402 F HA 0.230 4.757 4.527 -0.000 0.000 0.317 1402 F C 0.262 176.021 175.800 -0.068 0.000 1.016 1402 F CA -1.326 56.656 58.000 -0.031 0.000 1.097 1402 F CB -0.075 38.923 39.000 -0.002 0.000 1.360 1402 F HN 0.284 nan 8.300 nan 0.000 0.593 1403 E N 2.077 122.005 120.200 -0.454 0.000 3.405 1403 E HA -0.331 4.019 4.350 -0.000 0.000 0.273 1403 E C 0.609 176.972 176.600 -0.396 0.000 0.780 1403 E CA 2.109 58.172 56.400 -0.562 0.000 0.860 1403 E CB -0.176 28.915 29.700 -1.016 0.000 1.442 1403 E HN 0.852 nan 8.360 nan 0.000 0.462 1404 E N -1.561 118.438 120.200 -0.335 0.000 2.603 1404 E HA 0.042 4.392 4.350 -0.000 0.000 0.224 1404 E C 0.853 177.331 176.600 -0.203 0.000 0.896 1404 E CA 0.652 56.902 56.400 -0.249 0.000 1.224 1404 E CB 0.681 30.229 29.700 -0.253 0.000 1.206 1404 E HN 0.235 nan 8.360 nan 0.000 0.576 1405 T N 1.136 115.582 114.554 -0.180 0.000 2.103 1405 T HA -0.384 3.966 4.350 -0.000 0.000 0.093 1405 T C 1.779 176.335 174.700 -0.240 0.000 1.786 1405 T CA 2.222 64.218 62.100 -0.172 0.000 0.758 1405 T CB -1.373 67.407 68.868 -0.148 0.000 0.800 1405 T HN 0.027 nan 8.240 nan 0.000 0.397 1406 V N 2.400 122.134 119.914 -0.301 0.000 2.226 1406 V HA -0.325 3.795 4.120 -0.000 0.000 0.254 1406 V C 2.715 178.502 176.094 -0.512 0.000 1.065 1406 V CA 2.850 64.848 62.300 -0.504 0.000 1.039 1406 V CB -0.994 30.490 31.823 -0.564 0.000 0.653 1406 V HN 0.643 nan 8.190 nan 0.000 0.450 1407 E N -0.652 119.354 120.200 -0.323 0.000 2.164 1407 E HA -0.285 4.064 4.350 -0.000 0.000 0.206 1407 E C 2.108 178.646 176.600 -0.104 0.000 1.032 1407 E CA 2.037 58.351 56.400 -0.143 0.000 0.832 1407 E CB -0.282 29.360 29.700 -0.097 0.000 0.742 1407 E HN 0.616 nan 8.360 nan 0.000 0.460 1408 I N 0.572 121.044 120.570 -0.164 0.000 2.286 1408 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 1408 I C 2.462 178.472 176.117 -0.179 0.000 1.104 1408 I CA 0.578 61.791 61.300 -0.146 0.000 1.397 1408 I CB -0.087 37.820 38.000 -0.155 0.000 1.072 1408 I HN 0.152 nan 8.210 nan 0.000 0.417 1409 L N -0.005 121.062 121.223 -0.260 0.000 2.017 1409 L HA -0.259 4.081 4.340 -0.000 0.000 0.208 1409 L C 2.580 179.355 176.870 -0.160 0.000 1.073 1409 L CA 1.763 56.400 54.840 -0.338 0.000 0.745 1409 L CB -0.486 41.349 42.059 -0.373 0.000 0.894 1409 L HN 0.180 nan 8.230 nan 0.000 0.432 1410 F N 0.547 120.418 119.950 -0.130 0.000 2.043 1410 F HA -0.304 4.223 4.527 -0.000 0.000 0.297 1410 F C 2.121 177.986 175.800 0.109 0.000 1.118 1410 F CA 1.047 59.047 58.000 -0.000 0.000 1.202 1410 F CB -0.155 38.839 39.000 -0.010 0.000 0.965 1410 F HN 0.178 nan 8.300 nan 0.000 0.482 1411 E N 0.074 120.400 120.200 0.211 0.000 2.405 1411 E HA 0.007 4.357 4.350 -0.000 0.000 0.194 1411 E C 1.209 177.769 176.600 -0.066 0.000 1.149 1411 E CA 0.155 56.570 56.400 0.024 0.000 0.933 1411 E CB 0.051 29.733 29.700 -0.030 0.000 1.028 1411 E HN 0.388 nan 8.360 nan 0.000 0.487 1412 A N 0.371 123.145 122.820 -0.077 0.000 1.970 1412 A HA 0.185 4.505 4.320 -0.000 0.000 0.204 1412 A C 2.233 179.806 177.584 -0.019 0.000 1.325 1412 A CA 0.609 52.559 52.037 -0.145 0.000 0.767 1412 A CB -0.367 18.338 19.000 -0.492 0.000 0.949 1412 A HN 0.331 nan 8.150 nan 0.000 0.481 1413 G N -0.413 108.399 108.800 0.021 0.000 2.572 1413 G HA2 0.214 4.173 3.960 -0.000 0.000 0.216 1413 G HA3 0.214 4.173 3.960 -0.000 0.000 0.216 1413 G C 1.462 176.417 174.900 0.092 0.000 1.133 1413 G CA 1.213 46.393 45.100 0.133 0.000 0.791 1413 G HN 0.669 nan 8.290 nan 0.000 0.538 1414 A N 1.285 124.113 122.820 0.014 0.000 1.855 1414 A HA 0.060 4.380 4.320 -0.000 0.000 0.215 1414 A C 2.357 179.680 177.584 -0.434 0.000 1.191 1414 A CA 2.011 53.890 52.037 -0.264 0.000 0.613 1414 A CB -0.442 18.269 19.000 -0.482 0.000 0.829 1414 A HN 0.625 nan 8.150 nan 0.000 0.442 1415 S N -1.182 114.308 115.700 -0.350 0.000 2.573 1415 S HA 0.532 5.002 4.470 -0.000 0.000 0.244 1415 S C 0.659 175.199 174.600 -0.099 0.000 0.984 1415 S CA 0.474 58.465 58.200 -0.348 0.000 1.001 1415 S CB -0.360 62.645 63.200 -0.324 0.000 0.788 1415 S HN 1.806 nan 8.310 nan 0.000 0.456 1416 A N 1.091 123.913 122.820 0.003 0.000 2.208 1416 A HA -0.217 4.103 4.320 -0.000 0.000 0.277 1416 A C 0.400 178.074 177.584 0.149 0.000 1.377 1416 A CA 0.897 53.018 52.037 0.141 0.000 0.758 1416 A CB -1.901 17.249 19.000 0.251 0.000 1.122 1416 A HN 0.747 nan 8.150 nan 0.000 0.350 1417 E N -1.366 118.927 120.200 0.155 0.000 2.391 1417 E HA 0.479 4.829 4.350 -0.000 0.000 0.255 1417 E C -0.107 176.593 176.600 0.166 0.000 1.187 1417 E CA -0.458 56.037 56.400 0.158 0.000 0.941 1417 E CB 0.503 30.311 29.700 0.179 0.000 1.010 1417 E HN 0.620 nan 8.360 nan 0.000 0.458 1418 L N 1.229 122.519 121.223 0.112 0.000 2.408 1418 L HA 0.363 4.703 4.340 -0.000 0.000 0.268 1418 L C -1.434 175.458 176.870 0.037 0.000 0.986 1418 L CA -0.438 54.424 54.840 0.037 0.000 0.820 1418 L CB 1.993 44.076 42.059 0.040 0.000 1.303 1418 L HN 0.346 nan 8.230 nan 0.000 0.411 1419 D N 2.576 122.958 120.400 -0.030 0.000 2.408 1419 D HA 0.237 4.877 4.640 -0.000 0.000 0.243 1419 D C 0.210 176.498 176.300 -0.022 0.000 1.075 1419 D CA -0.126 53.877 54.000 0.004 0.000 0.832 1419 D CB 1.670 42.492 40.800 0.036 0.000 1.162 1419 D HN 0.621 nan 8.370 nan 0.000 0.515 1420 D N 1.744 122.146 120.400 0.003 0.000 2.221 1420 D HA -0.133 4.506 4.640 -0.000 0.000 0.204 1420 D C 0.671 176.966 176.300 -0.008 0.000 0.982 1420 D CA 0.738 54.737 54.000 -0.002 0.000 0.857 1420 D CB 0.128 40.934 40.800 0.010 0.000 0.934 1420 D HN 0.507 nan 8.370 nan 0.000 0.475 1421 C N 0.412 119.709 119.300 -0.005 0.000 4.424 1421 C HA -0.161 4.299 4.460 -0.000 0.000 0.304 1421 C C 1.305 176.293 174.990 -0.004 0.000 1.344 1421 C CA -0.007 59.005 59.018 -0.009 0.000 2.033 1421 C CB -2.328 25.396 27.740 -0.026 0.000 1.264 1421 C HN 0.412 nan 8.230 nan 0.000 0.750 1422 R N -0.246 120.258 120.500 0.006 0.000 2.446 1422 R HA 0.235 4.575 4.340 -0.000 0.000 0.254 1422 R C 1.147 177.454 176.300 0.012 0.000 0.918 1422 R CA 0.573 56.680 56.100 0.012 0.000 1.069 1422 R CB 0.609 30.921 30.300 0.020 0.000 1.194 1422 R HN 0.566 nan 8.270 nan 0.000 0.534 1423 G N 0.348 109.154 108.800 0.010 0.000 2.415 1423 G HA2 0.270 4.230 3.960 -0.000 0.000 0.269 1423 G HA3 0.270 4.230 3.960 -0.000 0.000 0.269 1423 G C 1.134 176.030 174.900 -0.006 0.000 1.209 1423 G CA -0.579 44.526 45.100 0.009 0.000 0.835 1423 G HN -0.125 nan 8.290 nan 0.000 0.534 1424 V N 2.468 122.371 119.914 -0.018 0.000 2.231 1424 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 1424 V C 3.010 179.089 176.094 -0.024 0.000 1.054 1424 V CA 2.573 64.853 62.300 -0.033 0.000 1.015 1424 V CB -1.012 30.784 31.823 -0.045 0.000 0.638 1424 V HN 0.713 nan 8.190 nan 0.000 0.444 1425 S N -0.302 115.390 115.700 -0.014 0.000 2.377 1425 S HA -0.276 4.194 4.470 -0.000 0.000 0.224 1425 S C 1.879 176.479 174.600 0.000 0.000 1.042 1425 S CA 1.839 60.036 58.200 -0.004 0.000 1.086 1425 S CB -0.540 62.667 63.200 0.013 0.000 0.995 1425 S HN 0.696 nan 8.310 nan 0.000 0.428 1426 E N 1.752 121.957 120.200 0.009 0.000 2.119 1426 E HA -0.257 4.093 4.350 -0.000 0.000 0.221 1426 E C 1.853 178.450 176.600 -0.006 0.000 1.062 1426 E CA 1.468 57.873 56.400 0.010 0.000 0.894 1426 E CB -0.993 28.712 29.700 0.009 0.000 0.785 1426 E HN 0.525 nan 8.360 nan 0.000 0.472 1427 N N 0.637 119.328 118.700 -0.015 0.000 2.069 1427 N HA -0.135 4.605 4.740 -0.000 0.000 0.191 1427 N C 2.165 177.660 175.510 -0.025 0.000 1.031 1427 N CA 1.315 54.350 53.050 -0.024 0.000 0.852 1427 N CB -0.432 38.036 38.487 -0.032 0.000 1.018 1427 N HN 0.007 nan 8.380 nan 0.000 0.423 1428 V N 2.269 122.168 119.914 -0.025 0.000 2.370 1428 V HA -0.220 3.900 4.120 -0.000 0.000 0.252 1428 V C 2.211 178.293 176.094 -0.020 0.000 1.068 1428 V CA 1.386 63.670 62.300 -0.026 0.000 1.061 1428 V CB -0.402 31.405 31.823 -0.027 0.000 0.656 1428 V HN 0.285 nan 8.190 nan 0.000 0.455 1429 I N -1.057 119.505 120.570 -0.012 0.000 2.617 1429 I HA -0.142 4.028 4.170 -0.000 0.000 0.256 1429 I C 1.958 178.068 176.117 -0.012 0.000 1.167 1429 I CA 1.202 62.497 61.300 -0.007 0.000 1.469 1429 I CB -0.125 37.877 38.000 0.004 0.000 1.098 1429 I HN 0.268 nan 8.210 nan 0.000 0.436 1430 L N 0.232 121.445 121.223 -0.017 0.000 2.477 1430 L HA 0.243 4.583 4.340 -0.000 0.000 0.220 1430 L C 1.363 178.219 176.870 -0.024 0.000 1.106 1430 L CA 0.477 55.303 54.840 -0.022 0.000 0.851 1430 L CB -0.126 41.916 42.059 -0.028 0.000 0.994 1430 L HN 0.413 nan 8.230 nan 0.000 0.462 1431 G N 0.556 109.341 108.800 -0.025 0.000 2.204 1431 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.244 1431 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.244 1431 G C -0.075 174.807 174.900 -0.030 0.000 1.062 1431 G CA -0.232 44.852 45.100 -0.027 0.000 0.798 1431 G HN 0.387 nan 8.290 nan 0.000 0.496 1432 Q N -0.781 119.000 119.800 -0.032 0.000 2.359 1432 Q HA 0.638 4.978 4.340 -0.000 0.000 0.275 1432 Q C 0.231 176.205 176.000 -0.042 0.000 1.082 1432 Q CA -1.120 54.662 55.803 -0.035 0.000 0.849 1432 Q CB 1.654 30.372 28.738 -0.033 0.000 1.377 1432 Q HN 0.353 nan 8.270 nan 0.000 0.452 1433 M N 1.561 121.133 119.600 -0.047 0.000 2.188 1433 M HA 0.328 4.808 4.480 -0.000 0.000 0.354 1433 M C -0.749 175.511 176.300 -0.067 0.000 1.342 1433 M CA -0.117 55.147 55.300 -0.061 0.000 1.117 1433 M CB 0.617 33.176 32.600 -0.069 0.000 1.670 1433 M HN 0.793 nan 8.290 nan 0.000 0.466 1434 A N 7.088 129.865 122.820 -0.072 0.000 2.327 1434 A HA 0.566 4.886 4.320 -0.000 0.000 0.283 1434 A C -2.470 175.057 177.584 -0.095 0.000 1.127 1434 A CA -1.506 50.489 52.037 -0.072 0.000 0.810 1434 A CB -0.170 18.791 19.000 -0.064 0.000 1.066 1434 A HN 0.596 nan 8.150 nan 0.000 0.492 1435 P HA 0.286 nan 4.420 nan 0.000 0.262 1435 P C -1.093 176.136 177.300 -0.119 0.000 1.455 1435 P CA 0.994 64.037 63.100 -0.095 0.000 1.217 1435 P CB -0.390 31.287 31.700 -0.039 0.000 1.625 1436 I N 1.470 121.945 120.570 -0.157 0.000 2.667 1436 I HA 0.294 4.464 4.170 -0.000 0.000 0.288 1436 I C 1.104 177.117 176.117 -0.174 0.000 1.267 1436 I CA -0.499 60.707 61.300 -0.158 0.000 1.055 1436 I CB 1.858 39.783 38.000 -0.125 0.000 1.294 1436 I HN 0.415 nan 8.210 nan 0.000 0.429 1437 G N 4.009 112.706 108.800 -0.171 0.000 2.698 1437 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.346 1437 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.346 1437 G C 0.985 175.779 174.900 -0.176 0.000 1.287 1437 G CA 1.199 46.222 45.100 -0.128 0.000 0.990 1437 G HN 0.575 nan 8.290 nan 0.000 0.545 1438 T N 1.094 115.565 114.554 -0.137 0.000 2.902 1438 T HA -0.130 4.219 4.350 -0.000 0.000 0.260 1438 T C 1.835 176.226 174.700 -0.515 0.000 1.064 1438 T CA 2.524 64.504 62.100 -0.201 0.000 1.152 1438 T CB -0.470 68.331 68.868 -0.112 0.000 0.810 1438 T HN 1.590 nan 8.240 nan 0.000 0.523 1439 G N -0.743 107.781 108.800 -0.460 0.000 3.899 1439 G HA2 0.497 4.457 3.960 -0.000 0.000 0.293 1439 G HA3 0.497 4.457 3.960 -0.000 0.000 0.293 1439 G C 0.681 175.319 174.900 -0.438 0.000 1.054 1439 G CA 0.282 45.098 45.100 -0.473 0.000 0.846 1439 G HN 0.474 nan 8.290 nan 0.000 0.525 1440 A N 0.464 122.971 122.820 -0.522 0.000 2.411 1440 A HA 0.682 5.002 4.320 -0.000 0.000 0.251 1440 A C 0.069 177.713 177.584 0.099 0.000 1.317 1440 A CA -0.236 51.695 52.037 -0.177 0.000 0.904 1440 A CB -0.751 18.159 19.000 -0.150 0.000 0.993 1440 A HN 0.816 nan 8.150 nan 0.000 0.504 1441 F N -4.169 115.847 119.950 0.110 0.000 2.900 1441 F HA 0.632 5.159 4.527 -0.000 0.000 0.321 1441 F C -1.583 174.265 175.800 0.080 0.000 1.160 1441 F CA -1.790 56.294 58.000 0.141 0.000 0.890 1441 F CB 0.348 39.476 39.000 0.213 0.000 1.334 1441 F HN -0.156 nan 8.300 nan 0.000 0.459 1442 D N 0.632 121.268 120.400 0.394 0.000 2.374 1442 D HA 0.694 5.334 4.640 -0.000 0.000 0.239 1442 D C -1.200 175.267 176.300 0.278 0.000 0.991 1442 D CA -0.269 53.879 54.000 0.248 0.000 0.960 1442 D CB 2.817 43.697 40.800 0.133 0.000 1.284 1442 D HN 0.571 nan 8.370 nan 0.000 0.512 1443 V N 0.141 120.170 119.914 0.191 0.000 2.495 1443 V HA 0.642 4.762 4.120 -0.000 0.000 0.298 1443 V C -0.069 176.078 176.094 0.089 0.000 1.031 1443 V CA -0.698 61.689 62.300 0.146 0.000 0.871 1443 V CB 1.505 33.419 31.823 0.151 0.000 0.988 1443 V HN 0.454 nan 8.190 nan 0.000 0.432 1444 M N 4.001 123.640 119.600 0.066 0.000 2.619 1444 M HA 0.656 5.136 4.480 -0.000 0.000 0.297 1444 M C -1.416 174.910 176.300 0.044 0.000 1.229 1444 M CA -0.644 54.685 55.300 0.050 0.000 0.860 1444 M CB 2.701 35.326 32.600 0.041 0.000 1.741 1444 M HN 0.522 nan 8.290 nan 0.000 0.462 1445 I N 1.055 121.649 120.570 0.040 0.000 2.291 1445 I HA 0.184 4.354 4.170 -0.000 0.000 0.290 1445 I C -0.223 175.914 176.117 0.032 0.000 1.050 1445 I CA -0.242 61.083 61.300 0.042 0.000 1.245 1445 I CB -0.048 37.976 38.000 0.040 0.000 1.405 1445 I HN 0.416 nan 8.210 nan 0.000 0.478 1446 D N 5.551 125.970 120.400 0.031 0.000 2.383 1446 D HA -0.039 4.601 4.640 -0.000 0.000 0.245 1446 D C 1.326 177.628 176.300 0.002 0.000 1.263 1446 D CA 0.243 54.250 54.000 0.011 0.000 0.936 1446 D CB 0.625 41.426 40.800 0.002 0.000 1.053 1446 D HN 0.542 nan 8.370 nan 0.000 0.507 1447 E N 3.397 123.598 120.200 0.002 0.000 2.130 1447 E HA -0.251 4.099 4.350 -0.000 0.000 0.196 1447 E C 0.966 177.550 176.600 -0.027 0.000 0.998 1447 E CA 1.176 57.574 56.400 -0.003 0.000 0.806 1447 E CB 0.313 30.012 29.700 -0.001 0.000 0.738 1447 E HN 0.659 nan 8.360 nan 0.000 0.459 1448 E N 0.116 120.293 120.200 -0.039 0.000 2.012 1448 E HA -0.173 4.177 4.350 -0.000 0.000 0.197 1448 E C 2.069 178.596 176.600 -0.122 0.000 1.007 1448 E CA 1.843 58.204 56.400 -0.065 0.000 0.816 1448 E CB -0.163 29.502 29.700 -0.058 0.000 0.762 1448 E HN 0.315 nan 8.360 nan 0.000 0.451 1449 S N 0.765 116.376 115.700 -0.148 0.000 2.537 1449 S HA -0.123 4.347 4.470 -0.000 0.000 0.240 1449 S C 1.610 175.986 174.600 -0.372 0.000 0.981 1449 S CA 0.436 58.445 58.200 -0.319 0.000 0.948 1449 S CB -0.046 63.015 63.200 -0.232 0.000 0.759 1449 S HN 0.150 nan 8.310 nan 0.000 0.531 1450 L N 0.867 122.019 121.223 -0.117 0.000 2.645 1450 L HA 0.430 4.770 4.340 -0.000 0.000 0.234 1450 L C 1.167 178.033 176.870 -0.007 0.000 1.165 1450 L CA 0.260 55.108 54.840 0.012 0.000 0.944 1450 L CB 0.076 42.162 42.059 0.046 0.000 1.149 1450 L HN 0.188 nan 8.230 nan 0.000 0.446 1451 V N -1.731 118.126 119.914 -0.095 0.000 3.137 1451 V HA 0.040 4.160 4.120 -0.000 0.000 0.236 1451 V C 1.962 178.013 176.094 -0.071 0.000 1.260 1451 V CA 0.299 62.567 62.300 -0.053 0.000 1.244 1451 V CB 0.089 31.881 31.823 -0.053 0.000 1.016 1451 V HN 0.241 nan 8.190 nan 0.000 0.477 1452 K N -0.025 120.263 120.400 -0.187 0.000 2.520 1452 K HA -0.079 4.241 4.320 -0.000 0.000 0.197 1452 K C 0.046 176.621 176.600 -0.043 0.000 1.043 1452 K CA 1.051 57.240 56.287 -0.164 0.000 0.944 1452 K CB -0.178 32.162 32.500 -0.267 0.000 0.770 1452 K HN 0.533 nan 8.250 nan 0.000 0.480 1453 Y N 1.930 122.231 120.300 0.002 0.000 2.821 1453 Y HA 0.199 4.749 4.550 -0.000 0.000 0.331 1453 Y C -0.043 175.859 175.900 0.004 0.000 1.251 1453 Y CA -1.007 57.094 58.100 0.002 0.000 1.494 1453 Y CB -0.152 38.310 38.460 0.004 0.000 1.493 1453 Y HN 0.019 nan 8.280 nan 0.000 0.496 1454 M N 1.349 121.039 119.600 0.150 0.000 2.438 1454 M HA 0.335 4.815 4.480 -0.000 0.000 0.215 1454 M C -3.257 173.077 176.300 0.056 0.000 0.924 1454 M CA -1.260 54.091 55.300 0.084 0.000 0.783 1454 M CB 0.457 33.096 32.600 0.065 0.000 2.350 1454 M HN 0.059 nan 8.290 nan 0.000 0.448 1455 P HA 0.000 nan 4.420 nan 0.000 0.216 1455 P CA 0.000 63.118 63.100 0.031 0.000 0.800 1455 P CB 0.000 31.715 31.700 0.026 0.000 0.726