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 3i4n_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 VGSWKKDRAT GDADEPELRV 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 XKVTSGVPRL DATA SEQUENCE KEILNVAKNM KTPSLTVYLE PGHAADQEQA KLIRSAIEHT TLKSVTIASE DATA SEQUENCE IYYDPDPRST VIPEDEEIIQ LHFSLLDEXX XXXXXQQSPW LLRLELDRAA DATA SEQUENCE MNDKDLTMGQ VGERIKQTFK NDLFVIWSED NDEKLIIRCR VVRPKXXXXX 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 0.000 176.084 176.094 -0.017 0.000 1.182 2 V CA 0.000 62.288 62.300 -0.020 0.000 1.235 2 V CB 0.000 31.810 31.823 -0.021 0.000 1.184 3 G N 3.854 112.643 108.800 -0.019 0.000 2.163 3 G HA2 -0.145 3.814 3.960 -0.000 0.000 0.213 3 G HA3 -0.145 3.814 3.960 -0.000 0.000 0.213 3 G C 0.161 175.051 174.900 -0.017 0.000 0.991 3 G CA 0.537 45.625 45.100 -0.020 0.000 0.653 3 G HN 1.518 nan 8.290 nan 0.000 0.518 4 Q N -0.960 118.831 119.800 -0.015 0.000 1.987 4 Q HA -0.185 4.155 4.340 -0.000 0.000 0.339 4 Q C 0.375 176.376 176.000 0.002 0.000 1.153 4 Q CA 1.617 57.414 55.803 -0.010 0.000 0.343 4 Q CB -0.183 28.543 28.738 -0.020 0.000 4.019 4 Q HN 1.059 nan 8.270 nan 0.000 0.504 5 Q N -1.110 118.699 119.800 0.015 0.000 3.209 5 Q HA -0.217 4.122 4.340 -0.000 0.000 0.030 5 Q C -1.366 174.680 176.000 0.077 0.000 1.696 5 Q CA 0.423 56.247 55.803 0.035 0.000 0.251 5 Q CB -0.211 28.530 28.738 0.006 0.000 0.583 5 Q HN 0.495 nan 8.270 nan 0.000 0.322 6 Y N 2.841 123.127 120.300 -0.023 0.000 2.397 6 Y HA 0.455 5.005 4.550 -0.000 0.000 0.335 6 Y C -0.168 175.723 175.900 -0.016 0.000 1.213 6 Y CA 0.490 58.578 58.100 -0.020 0.000 1.391 6 Y CB 1.028 39.477 38.460 -0.018 0.000 1.293 6 Y HN 0.449 nan 8.280 nan 0.000 0.557 7 S N 2.110 117.405 115.700 -0.674 0.000 2.575 7 S HA 0.293 4.763 4.470 -0.000 0.000 0.278 7 S C 0.139 174.254 174.600 -0.808 0.000 1.139 7 S CA -0.281 57.494 58.200 -0.709 0.000 0.954 7 S CB 1.044 64.085 63.200 -0.264 0.000 1.054 7 S HN 0.884 nan 8.310 nan 0.000 0.483 8 S N 1.623 116.891 115.700 -0.719 0.000 2.595 8 S HA 0.151 4.620 4.470 -0.000 0.000 0.235 8 S C 0.997 175.545 174.600 -0.087 0.000 0.974 8 S CA 0.048 58.099 58.200 -0.249 0.000 0.942 8 S CB -0.849 62.273 63.200 -0.131 0.000 0.766 8 S HN 1.427 nan 8.310 nan 0.000 0.536 9 A N 4.263 127.010 122.820 -0.121 0.000 2.507 9 A HA 0.348 4.667 4.320 -0.000 0.000 0.281 9 A C -1.419 176.158 177.584 -0.011 0.000 1.154 9 A CA -1.174 50.828 52.037 -0.058 0.000 0.828 9 A CB -0.693 18.268 19.000 -0.066 0.000 1.069 9 A HN 0.473 nan 8.150 nan 0.000 0.522 10 P HA 0.024 nan 4.420 nan 0.000 0.263 10 P C -0.581 176.723 177.300 0.007 0.000 1.168 10 P CA 0.132 63.239 63.100 0.013 0.000 0.759 10 P CB 0.420 32.124 31.700 0.006 0.000 0.782 11 L N 4.379 125.611 121.223 0.015 0.000 2.317 11 L HA 0.561 4.901 4.340 -0.000 0.000 0.281 11 L C 0.136 177.006 176.870 0.001 0.000 1.024 11 L CA -0.245 54.599 54.840 0.008 0.000 0.810 11 L CB 1.158 43.228 42.059 0.017 0.000 1.240 11 L HN 0.417 nan 8.230 nan 0.000 0.427 12 R N 1.159 121.655 120.500 -0.007 0.000 2.810 12 R HA 0.697 5.037 4.340 -0.000 0.000 0.266 12 R C -1.184 175.106 176.300 -0.016 0.000 1.061 12 R CA -0.563 55.531 56.100 -0.010 0.000 0.943 12 R CB 1.915 32.208 30.300 -0.012 0.000 1.237 12 R HN 0.699 nan 8.270 nan 0.000 0.459 13 T N -1.632 112.911 114.554 -0.018 0.000 2.888 13 T HA 0.461 4.811 4.350 -0.000 0.000 0.284 13 T C 0.038 174.721 174.700 -0.027 0.000 1.017 13 T CA -0.791 61.295 62.100 -0.023 0.000 1.022 13 T CB 1.602 70.457 68.868 -0.023 0.000 1.013 13 T HN 0.157 nan 8.240 nan 0.000 0.465 14 V N 3.843 123.738 119.914 -0.032 0.000 2.585 14 V HA 0.153 4.273 4.120 -0.000 0.000 0.296 14 V C 1.059 177.133 176.094 -0.033 0.000 1.035 14 V CA -0.013 62.263 62.300 -0.039 0.000 1.084 14 V CB 0.369 32.165 31.823 -0.046 0.000 0.953 14 V HN 0.895 nan 8.190 nan 0.000 0.483 15 K N 2.879 123.260 120.400 -0.032 0.000 2.325 15 K HA 0.301 4.621 4.320 -0.000 0.000 0.203 15 K C 0.399 176.985 176.600 -0.023 0.000 1.128 15 K CA 0.378 56.651 56.287 -0.024 0.000 0.931 15 K CB 0.721 33.211 32.500 -0.017 0.000 1.125 15 K HN 0.697 nan 8.250 nan 0.000 0.487 16 E N 0.887 121.068 120.200 -0.032 0.000 2.281 16 E HA 0.470 4.820 4.350 -0.000 0.000 0.262 16 E C -1.086 175.467 176.600 -0.079 0.000 0.933 16 E CA -0.863 55.516 56.400 -0.035 0.000 0.809 16 E CB 2.807 32.494 29.700 -0.022 0.000 1.242 16 E HN -0.270 nan 8.360 nan 0.000 0.418 17 V N 2.141 121.988 119.914 -0.111 0.000 2.524 17 V HA 0.152 4.272 4.120 -0.000 0.000 0.297 17 V C -0.849 175.033 176.094 -0.353 0.000 1.035 17 V CA -0.829 61.310 62.300 -0.269 0.000 0.867 17 V CB 1.628 33.278 31.823 -0.289 0.000 1.004 17 V HN 0.535 nan 8.190 nan 0.000 0.426 18 Q N 3.876 123.458 119.800 -0.363 0.000 2.368 18 Q HA 0.500 4.840 4.340 -0.000 0.000 0.256 18 Q C -1.150 174.653 176.000 -0.327 0.000 0.980 18 Q CA -0.204 55.483 55.803 -0.193 0.000 0.887 18 Q CB 1.441 30.212 28.738 0.054 0.000 1.221 18 Q HN 0.622 nan 8.270 nan 0.000 0.458 19 F N 1.038 121.032 119.950 0.073 0.000 2.411 19 F HA 0.573 5.100 4.527 -0.000 0.000 0.350 19 F C 1.164 177.019 175.800 0.091 0.000 1.114 19 F CA -0.063 57.964 58.000 0.044 0.000 1.135 19 F CB 1.448 40.479 39.000 0.051 0.000 1.120 19 F HN 0.504 nan 8.300 nan 0.000 0.495 20 G N 2.952 111.840 108.800 0.146 0.000 3.166 20 G HA2 0.820 4.780 3.960 -0.000 0.000 0.267 20 G HA3 0.820 4.780 3.960 -0.000 0.000 0.267 20 G C -1.721 173.209 174.900 0.050 0.000 1.256 20 G CA -0.893 44.262 45.100 0.092 0.000 0.859 20 G HN 0.454 nan 8.290 nan 0.000 0.590 21 L N -0.150 121.021 121.223 -0.087 0.000 2.464 21 L HA 0.441 4.780 4.340 -0.000 0.000 0.266 21 L C -0.986 175.610 176.870 -0.457 0.000 0.965 21 L CA -0.642 54.158 54.840 -0.067 0.000 0.833 21 L CB 2.431 44.612 42.059 0.203 0.000 1.296 21 L HN 0.392 nan 8.230 nan 0.000 0.405 22 F N 1.207 120.931 119.950 -0.377 0.000 2.595 22 F HA 0.066 4.593 4.527 -0.000 0.000 0.359 22 F C 1.183 176.477 175.800 -0.844 0.000 1.147 22 F CA 0.492 58.199 58.000 -0.487 0.000 1.341 22 F CB 0.905 39.746 39.000 -0.265 0.000 1.104 22 F HN 0.494 nan 8.300 nan 0.000 0.603 23 S N 3.131 118.478 115.700 -0.588 0.000 2.442 23 S HA 0.351 4.821 4.470 -0.000 0.000 0.297 23 S C -2.084 172.566 174.600 0.084 0.000 1.131 23 S CA -1.505 56.436 58.200 -0.432 0.000 1.092 23 S CB 1.668 64.880 63.200 0.021 0.000 0.998 23 S HN 0.325 nan 8.310 nan 0.000 0.478 24 P HA -0.186 nan 4.420 nan 0.000 0.220 24 P C 0.573 177.972 177.300 0.165 0.000 1.144 24 P CA 1.406 64.613 63.100 0.180 0.000 0.808 24 P CB 0.087 31.909 31.700 0.202 0.000 0.763 25 E N -1.137 119.173 120.200 0.183 0.000 2.102 25 E HA -0.093 4.257 4.350 -0.000 0.000 0.190 25 E C 1.967 178.640 176.600 0.122 0.000 0.971 25 E CA 0.571 57.059 56.400 0.147 0.000 0.821 25 E CB -0.735 29.055 29.700 0.150 0.000 0.777 25 E HN 0.330 nan 8.360 nan 0.000 0.460 26 E N 1.028 121.303 120.200 0.126 0.000 2.049 26 E HA -0.230 4.120 4.350 -0.000 0.000 0.198 26 E C 1.890 178.589 176.600 0.165 0.000 1.007 26 E CA 1.896 58.370 56.400 0.123 0.000 0.809 26 E CB -0.068 29.686 29.700 0.091 0.000 0.749 26 E HN 0.058 nan 8.360 nan 0.000 0.450 27 V N 0.781 120.810 119.914 0.192 0.000 2.527 27 V HA -0.322 3.797 4.120 -0.000 0.000 0.255 27 V C 2.443 178.577 176.094 0.067 0.000 1.081 27 V CA 2.378 64.711 62.300 0.055 0.000 1.092 27 V CB -0.629 31.191 31.823 -0.005 0.000 0.673 27 V HN 0.274 nan 8.190 nan 0.000 0.470 28 R N -0.585 119.964 120.500 0.081 0.000 2.066 28 R HA 0.111 4.451 4.340 -0.000 0.000 0.224 28 R C 2.528 178.797 176.300 -0.051 0.000 1.122 28 R CA 1.136 57.233 56.100 -0.004 0.000 0.974 28 R CB -0.590 29.753 30.300 0.071 0.000 0.871 28 R HN 0.490 nan 8.270 nan 0.000 0.435 29 A N 1.629 124.454 122.820 0.008 0.000 1.859 29 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 29 A C 2.146 179.722 177.584 -0.013 0.000 1.198 29 A CA 1.648 53.685 52.037 -0.000 0.000 0.629 29 A CB -0.806 18.207 19.000 0.021 0.000 0.830 29 A HN 0.224 nan 8.150 nan 0.000 0.446 30 I N -0.322 120.257 120.570 0.015 0.000 2.208 30 I HA -0.164 4.006 4.170 -0.000 0.000 0.245 30 I C 1.596 177.718 176.117 0.009 0.000 1.097 30 I CA 0.784 62.099 61.300 0.024 0.000 1.363 30 I CB -0.490 37.548 38.000 0.064 0.000 1.051 30 I HN 0.288 nan 8.210 nan 0.000 0.413 31 S N 0.026 115.709 115.700 -0.030 0.000 2.558 31 S HA 0.070 4.540 4.470 -0.000 0.000 0.288 31 S C 0.933 175.472 174.600 -0.101 0.000 1.318 31 S CA 0.063 58.220 58.200 -0.072 0.000 1.056 31 S CB 1.165 64.223 63.200 -0.236 0.000 0.853 31 S HN 0.244 nan 8.310 nan 0.000 0.505 32 V N 2.018 121.899 119.914 -0.056 0.000 3.572 32 V HA 0.643 4.763 4.120 -0.000 0.000 0.260 32 V C 0.501 176.568 176.094 -0.045 0.000 1.324 32 V CA 0.426 62.691 62.300 -0.059 0.000 1.068 32 V CB -0.457 31.334 31.823 -0.053 0.000 0.837 32 V HN 0.853 nan 8.190 nan 0.000 0.450 33 A N 0.935 123.746 122.820 -0.016 0.000 2.276 33 A HA 0.741 5.061 4.320 -0.000 0.000 0.316 33 A C 0.700 178.359 177.584 0.126 0.000 1.229 33 A CA -0.473 51.584 52.037 0.034 0.000 0.851 33 A CB 1.361 20.386 19.000 0.042 0.000 1.165 33 A HN 0.232 nan 8.150 nan 0.000 0.513 34 K N 1.632 122.108 120.400 0.127 0.000 2.167 34 K HA 0.162 4.482 4.320 -0.000 0.000 0.203 34 K C 0.324 177.043 176.600 0.198 0.000 1.052 34 K CA 0.449 56.874 56.287 0.229 0.000 0.956 34 K CB -0.519 32.066 32.500 0.142 0.000 0.735 34 K HN 0.773 nan 8.250 nan 0.000 0.451 35 I N 1.559 122.207 120.570 0.130 0.000 6.400 35 I HA -0.413 3.757 4.170 -0.000 0.000 0.126 35 I C 0.876 177.045 176.117 0.087 0.000 1.494 35 I CA 0.203 61.555 61.300 0.088 0.000 2.484 35 I CB -0.651 37.373 38.000 0.041 0.000 2.837 35 I HN 0.209 nan 8.210 nan 0.000 0.286 36 R N 2.675 123.287 120.500 0.187 0.000 2.084 36 R HA 0.245 4.585 4.340 -0.000 0.000 0.209 36 R C 0.587 176.969 176.300 0.136 0.000 1.173 36 R CA 0.443 56.629 56.100 0.143 0.000 1.053 36 R CB 0.188 30.576 30.300 0.148 0.000 0.948 36 R HN 0.247 nan 8.270 nan 0.000 0.460 37 F N 1.786 121.718 119.950 -0.029 0.000 2.539 37 F HA 0.086 4.613 4.527 -0.000 0.000 0.340 37 F C -1.236 174.540 175.800 -0.040 0.000 1.185 37 F CA -1.915 56.066 58.000 -0.032 0.000 1.333 37 F CB 0.129 39.114 39.000 -0.026 0.000 1.152 37 F HN 0.061 nan 8.300 nan 0.000 0.602 38 P HA 0.019 nan 4.420 nan 0.000 0.242 38 P C -0.460 176.862 177.300 0.036 0.000 1.176 38 P CA 0.248 63.373 63.100 0.040 0.000 0.859 38 P CB 0.171 31.866 31.700 -0.007 0.000 1.010 39 E N 0.569 120.809 120.200 0.066 0.000 2.437 39 E HA 0.015 4.365 4.350 -0.000 0.000 0.263 39 E C 0.383 177.003 176.600 0.033 0.000 1.030 39 E CA 0.219 56.644 56.400 0.041 0.000 0.934 39 E CB -0.122 29.619 29.700 0.069 0.000 0.943 39 E HN -0.056 nan 8.360 nan 0.000 0.444 40 T N 2.403 116.970 114.554 0.021 0.000 2.516 40 T HA -0.229 4.121 4.350 -0.000 0.000 0.261 40 T C 1.044 175.744 174.700 -0.000 0.000 1.130 40 T CA 2.552 64.666 62.100 0.024 0.000 1.193 40 T CB -0.291 68.601 68.868 0.040 0.000 0.864 40 T HN 0.747 nan 8.240 nan 0.000 0.410 41 M N -1.484 118.112 119.600 -0.006 0.000 1.461 41 M HA 0.448 4.928 4.480 -0.000 0.000 0.568 41 M C -1.560 174.724 176.300 -0.026 0.000 2.224 41 M CA -0.551 54.728 55.300 -0.036 0.000 0.524 41 M CB -0.349 32.227 32.600 -0.041 0.000 4.344 41 M HN -0.071 nan 8.290 nan 0.000 0.463 42 D N 2.071 122.456 120.400 -0.026 0.000 4.733 42 D HA -0.084 4.555 4.640 -0.000 0.000 0.239 42 D C -0.915 175.370 176.300 -0.025 0.000 1.075 42 D CA 1.024 55.014 54.000 -0.017 0.000 1.258 42 D CB -0.086 40.713 40.800 -0.002 0.000 0.761 42 D HN 0.628 nan 8.370 nan 0.000 0.378 43 E N 2.355 122.534 120.200 -0.034 0.000 3.299 43 E HA 0.033 4.382 4.350 -0.000 0.000 0.294 43 E C 0.102 176.692 176.600 -0.016 0.000 1.160 43 E CA 0.672 57.049 56.400 -0.038 0.000 1.241 43 E CB -0.604 29.074 29.700 -0.038 0.000 1.046 43 E HN 0.468 nan 8.360 nan 0.000 0.460 44 T N 1.617 116.168 114.554 -0.006 0.000 2.851 44 T HA -0.265 4.084 4.350 -0.000 0.000 0.470 44 T C 0.592 175.294 174.700 0.002 0.000 0.782 44 T CA 0.909 63.013 62.100 0.007 0.000 2.467 44 T CB -1.112 67.765 68.868 0.014 0.000 1.668 44 T HN 0.777 nan 8.240 nan 0.000 0.572 45 Q N -2.087 117.714 119.800 0.003 0.000 3.595 45 Q HA -0.200 4.140 4.340 -0.000 0.000 0.208 45 Q C 0.487 176.486 176.000 -0.001 0.000 2.563 45 Q CA 2.062 57.867 55.803 0.002 0.000 0.537 45 Q CB -1.759 26.980 28.738 0.003 0.000 0.475 45 Q HN 0.769 nan 8.270 nan 0.000 0.677 46 T N 3.195 117.746 114.554 -0.005 0.000 2.800 46 T HA 0.147 4.497 4.350 -0.000 0.000 0.266 46 T C 0.071 174.765 174.700 -0.011 0.000 0.939 46 T CA 0.129 62.224 62.100 -0.008 0.000 1.199 46 T CB -0.112 68.749 68.868 -0.012 0.000 0.899 46 T HN 0.113 nan 8.240 nan 0.000 0.555 47 R N 2.425 122.920 120.500 -0.007 0.000 2.485 47 R HA 0.290 4.630 4.340 -0.000 0.000 0.304 47 R C 0.633 176.923 176.300 -0.015 0.000 0.934 47 R CA 0.378 56.473 56.100 -0.008 0.000 1.102 47 R CB -0.036 30.262 30.300 -0.003 0.000 0.906 47 R HN 0.843 nan 8.270 nan 0.000 0.407 48 A N 3.084 125.891 122.820 -0.021 0.000 4.774 48 A HA 0.318 4.638 4.320 -0.000 0.000 0.225 48 A C -1.530 176.033 177.584 -0.035 0.000 0.934 48 A CA -0.855 51.165 52.037 -0.028 0.000 0.596 48 A CB 0.813 19.793 19.000 -0.034 0.000 1.899 48 A HN 0.504 nan 8.150 nan 0.000 0.946 49 K N 0.449 120.818 120.400 -0.050 0.000 2.535 49 K HA 0.602 4.921 4.320 -0.000 0.000 0.250 49 K C -1.349 175.189 176.600 -0.103 0.000 0.948 49 K CA -0.369 55.880 56.287 -0.063 0.000 0.796 49 K CB 2.233 34.701 32.500 -0.053 0.000 1.216 49 K HN 0.534 nan 8.250 nan 0.000 0.432 50 I N 1.793 122.282 120.570 -0.135 0.000 2.556 50 I HA 0.002 4.172 4.170 -0.000 0.000 0.284 50 I C 1.218 177.159 176.117 -0.292 0.000 1.114 50 I CA 0.189 61.340 61.300 -0.248 0.000 1.418 50 I CB 0.773 38.579 38.000 -0.324 0.000 1.394 50 I HN 0.821 nan 8.210 nan 0.000 0.552 51 G N 4.934 113.537 108.800 -0.328 0.000 2.843 51 G HA2 0.294 4.254 3.960 -0.000 0.000 0.275 51 G HA3 0.294 4.254 3.960 -0.000 0.000 0.275 51 G C 0.592 175.268 174.900 -0.373 0.000 0.709 51 G CA 0.374 45.319 45.100 -0.259 0.000 2.089 51 G HN 0.988 nan 8.290 nan 0.000 0.571 52 G N 0.972 109.604 108.800 -0.280 0.000 2.579 52 G HA2 0.367 4.327 3.960 -0.000 0.000 0.160 52 G HA3 0.367 4.327 3.960 -0.000 0.000 0.160 52 G C -0.039 174.867 174.900 0.011 0.000 1.386 52 G CA -0.219 44.806 45.100 -0.125 0.000 0.713 52 G HN 0.534 nan 8.290 nan 0.000 0.688 53 L N 1.191 122.410 121.223 -0.006 0.000 2.303 53 L HA 0.539 4.879 4.340 -0.000 0.000 0.266 53 L C -0.357 176.497 176.870 -0.028 0.000 1.011 53 L CA -0.514 54.323 54.840 -0.005 0.000 0.818 53 L CB 1.784 43.847 42.059 0.007 0.000 1.326 53 L HN 0.695 nan 8.230 nan 0.000 0.435 54 N N 2.217 120.898 118.700 -0.032 0.000 2.585 54 N HA -0.276 4.464 4.740 -0.000 0.000 0.304 54 N C -0.189 175.299 175.510 -0.036 0.000 1.325 54 N CA 1.373 54.402 53.050 -0.036 0.000 0.678 54 N CB -0.625 37.845 38.487 -0.029 0.000 1.015 54 N HN 0.869 nan 8.380 nan 0.000 0.518 55 D N -0.190 120.191 120.400 -0.031 0.000 2.988 55 D HA -0.098 4.542 4.640 -0.000 0.000 0.221 55 D C -2.082 174.194 176.300 -0.040 0.000 1.122 55 D CA 0.853 54.837 54.000 -0.027 0.000 0.821 55 D CB -0.868 39.916 40.800 -0.026 0.000 1.098 55 D HN 0.660 nan 8.370 nan 0.000 0.433 56 P HA 0.246 nan 4.420 nan 0.000 0.259 56 P C 0.326 177.601 177.300 -0.041 0.000 1.480 56 P CA 0.500 63.565 63.100 -0.057 0.000 0.842 56 P CB 0.230 31.901 31.700 -0.049 0.000 1.513 57 R N -4.265 116.215 120.500 -0.033 0.000 1.470 57 R HA -0.006 4.334 4.340 -0.000 0.000 0.037 57 R C 0.565 176.856 176.300 -0.015 0.000 0.814 57 R CA -0.116 55.962 56.100 -0.037 0.000 3.515 57 R CB -1.205 29.067 30.300 -0.047 0.000 0.711 57 R HN 0.025 nan 8.270 nan 0.000 0.581 58 L N 1.257 122.491 121.223 0.019 0.000 2.289 58 L HA 0.039 4.379 4.340 -0.000 0.000 0.242 58 L C 1.673 178.618 176.870 0.124 0.000 1.254 58 L CA 0.863 55.760 54.840 0.095 0.000 0.809 58 L CB -0.404 41.680 42.059 0.042 0.000 1.079 58 L HN 0.314 nan 8.230 nan 0.000 0.636 59 G N -0.601 108.293 108.800 0.157 0.000 2.680 59 G HA2 0.287 4.247 3.960 -0.000 0.000 0.274 59 G HA3 0.287 4.247 3.960 -0.000 0.000 0.274 59 G C -0.015 174.910 174.900 0.042 0.000 1.292 59 G CA 0.268 45.435 45.100 0.112 0.000 1.007 59 G HN 0.861 nan 8.290 nan 0.000 0.578 60 S N -1.889 113.822 115.700 0.018 0.000 2.806 60 S HA 0.775 5.245 4.470 -0.000 0.000 0.306 60 S C -0.491 174.099 174.600 -0.016 0.000 1.167 60 S CA -0.939 57.260 58.200 -0.002 0.000 0.847 60 S CB 1.512 64.711 63.200 -0.001 0.000 1.216 60 S HN 0.586 nan 8.310 nan 0.000 0.532 61 I N 0.126 120.683 120.570 -0.021 0.000 3.264 61 I HA 0.513 4.683 4.170 -0.000 0.000 0.309 61 I C -0.620 175.482 176.117 -0.025 0.000 1.099 61 I CA -0.710 60.573 61.300 -0.028 0.000 0.989 61 I CB 1.229 39.210 38.000 -0.031 0.000 1.250 61 I HN 0.874 nan 8.210 nan 0.000 0.478 62 D N 2.836 123.219 120.400 -0.028 0.000 2.760 62 D HA -0.174 4.465 4.640 -0.000 0.000 0.244 62 D C 0.130 176.416 176.300 -0.023 0.000 1.123 62 D CA 0.527 54.512 54.000 -0.025 0.000 0.719 62 D CB -0.282 40.505 40.800 -0.021 0.000 1.045 62 D HN 0.783 nan 8.370 nan 0.000 0.426 63 R N -0.538 119.947 120.500 -0.025 0.000 2.544 63 R HA -0.231 4.109 4.340 -0.000 0.000 0.227 63 R C -1.105 175.183 176.300 -0.019 0.000 0.776 63 R CA 1.056 57.143 56.100 -0.023 0.000 0.538 63 R CB -1.504 28.782 30.300 -0.024 0.000 1.265 63 R HN 0.221 nan 8.270 nan 0.000 0.528 64 N N 2.048 120.738 118.700 -0.017 0.000 2.519 64 N HA 0.204 4.944 4.740 -0.000 0.000 0.286 64 N C 1.218 176.721 175.510 -0.011 0.000 1.079 64 N CA -0.681 52.360 53.050 -0.015 0.000 0.878 64 N CB 1.359 39.837 38.487 -0.016 0.000 1.375 64 N HN 0.175 nan 8.380 nan 0.000 0.514 65 L N 1.174 122.390 121.223 -0.012 0.000 2.056 65 L HA -0.293 4.047 4.340 -0.000 0.000 0.237 65 L C 0.804 177.670 176.870 -0.006 0.000 1.106 65 L CA 1.678 56.512 54.840 -0.009 0.000 0.829 65 L CB -0.489 41.563 42.059 -0.012 0.000 0.924 65 L HN 0.423 nan 8.230 nan 0.000 0.447 66 K N -0.219 120.175 120.400 -0.010 0.000 2.579 66 K HA -0.152 4.168 4.320 -0.000 0.000 0.277 66 K C 0.011 176.608 176.600 -0.004 0.000 0.985 66 K CA 0.856 57.135 56.287 -0.012 0.000 1.088 66 K CB 0.035 32.524 32.500 -0.018 0.000 0.836 66 K HN 0.550 nan 8.250 nan 0.000 0.487 67 C N 3.361 122.658 119.300 -0.005 0.000 2.158 67 C HA 0.032 4.492 4.460 -0.000 0.000 0.324 67 C C -0.550 174.422 174.990 -0.030 0.000 0.779 67 C CA -0.272 58.755 59.018 0.014 0.000 0.553 67 C CB -1.469 26.308 27.740 0.060 0.000 1.373 67 C HN 1.080 nan 8.230 nan 0.000 0.782 68 Q N 1.300 121.064 119.800 -0.060 0.000 2.470 68 Q HA -0.199 4.141 4.340 -0.000 0.000 0.290 68 Q C 1.028 176.981 176.000 -0.079 0.000 1.353 68 Q CA 0.977 56.720 55.803 -0.100 0.000 0.787 68 Q CB -1.574 27.041 28.738 -0.204 0.000 1.158 68 Q HN 1.027 nan 8.270 nan 0.000 0.426 69 T N -2.403 112.122 114.554 -0.048 0.000 10.265 69 T HA -0.438 3.912 4.350 -0.000 0.000 0.414 69 T C 1.496 176.180 174.700 -0.027 0.000 1.478 69 T CA 2.099 64.178 62.100 -0.034 0.000 2.460 69 T CB -1.668 67.178 68.868 -0.036 0.000 2.923 69 T HN 0.915 nan 8.240 nan 0.000 1.128 70 C N 2.777 122.056 119.300 -0.034 0.000 2.389 70 C HA -0.208 4.252 4.460 -0.000 0.000 0.294 70 C C 2.203 177.202 174.990 0.014 0.000 1.318 70 C CA 2.112 61.126 59.018 -0.008 0.000 1.822 70 C CB -1.928 25.817 27.740 0.008 0.000 1.938 70 C HN 0.962 nan 8.230 nan 0.000 0.531 71 Q N -0.424 119.381 119.800 0.009 0.000 2.375 71 Q HA -0.453 3.887 4.340 -0.000 0.000 0.443 71 Q C 0.823 176.831 176.000 0.015 0.000 0.608 71 Q CA 2.451 58.259 55.803 0.008 0.000 0.954 71 Q CB -1.519 27.216 28.738 -0.005 0.000 2.600 71 Q HN 0.553 nan 8.270 nan 0.000 0.974 72 E N -0.940 119.262 120.200 0.002 0.000 3.870 72 E HA -0.226 4.124 4.350 -0.000 0.000 0.329 72 E C 0.705 177.302 176.600 -0.006 0.000 0.702 72 E CA 2.253 58.651 56.400 -0.002 0.000 1.174 72 E CB -2.222 27.480 29.700 0.002 0.000 1.619 72 E HN 1.610 nan 8.360 nan 0.000 0.441 73 G N 1.974 110.773 108.800 -0.002 0.000 3.396 73 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.570 73 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.570 73 G C 1.022 175.914 174.900 -0.013 0.000 0.746 73 G CA 0.878 45.973 45.100 -0.008 0.000 1.148 73 G HN 0.124 nan 8.290 nan 0.000 0.549 74 M N 0.636 120.228 119.600 -0.014 0.000 7.287 74 M HA -0.352 4.128 4.480 -0.000 0.000 0.300 74 M C 1.186 177.471 176.300 -0.026 0.000 0.479 74 M CA 2.306 57.593 55.300 -0.022 0.000 1.306 74 M CB -1.918 30.665 32.600 -0.027 0.000 0.463 74 M HN 0.932 nan 8.290 nan 0.000 0.629 75 N N 2.470 121.153 118.700 -0.027 0.000 2.418 75 N HA 0.065 4.805 4.740 -0.000 0.000 0.277 75 N C 0.676 176.171 175.510 -0.025 0.000 1.317 75 N CA 1.552 54.585 53.050 -0.028 0.000 0.922 75 N CB 0.571 39.042 38.487 -0.027 0.000 1.194 75 N HN 0.573 nan 8.380 nan 0.000 0.485 76 E N 1.701 121.885 120.200 -0.028 0.000 3.137 76 E HA -0.172 4.178 4.350 -0.000 0.000 0.144 76 E C -0.565 176.017 176.600 -0.031 0.000 0.682 76 E CA 0.075 56.460 56.400 -0.025 0.000 2.932 76 E CB -1.258 28.431 29.700 -0.017 0.000 1.788 76 E HN 0.457 nan 8.360 nan 0.000 0.781 77 C N 5.734 125.020 119.300 -0.023 0.000 2.658 77 C HA 0.418 4.878 4.460 -0.000 0.000 0.376 77 C C -1.344 173.572 174.990 -0.123 0.000 1.202 77 C CA -0.980 58.018 59.018 -0.034 0.000 1.435 77 C CB -1.034 26.730 27.740 0.040 0.000 2.076 77 C HN 0.347 nan 8.230 nan 0.000 0.569 78 P HA 0.196 nan 4.420 nan 0.000 0.285 78 P C 0.494 177.624 177.300 -0.285 0.000 1.282 78 P CA 0.266 63.272 63.100 -0.156 0.000 0.778 78 P CB 0.344 31.976 31.700 -0.114 0.000 1.222 79 G N -0.871 107.824 108.800 -0.174 0.000 2.554 79 G HA2 0.109 4.069 3.960 -0.000 0.000 0.238 79 G HA3 0.109 4.069 3.960 -0.000 0.000 0.238 79 G C -0.413 174.334 174.900 -0.255 0.000 1.259 79 G CA -0.062 44.945 45.100 -0.154 0.000 0.843 79 G HN 0.542 nan 8.290 nan 0.000 0.582 80 H N 1.274 120.405 119.070 0.101 0.000 2.792 80 H HA 0.233 4.789 4.556 -0.000 0.000 0.298 80 H C -0.495 174.917 175.328 0.139 0.000 1.042 80 H CA -0.908 55.210 56.048 0.116 0.000 1.300 80 H CB 0.655 30.444 29.762 0.044 0.000 1.431 80 H HN 0.267 nan 8.280 nan 0.000 0.496 81 F N 1.452 121.447 119.950 0.075 0.000 2.572 81 F HA 0.281 4.808 4.527 -0.000 0.000 0.370 81 F C 1.472 177.280 175.800 0.014 0.000 1.103 81 F CA 0.769 58.781 58.000 0.019 0.000 1.286 81 F CB 0.795 39.782 39.000 -0.022 0.000 1.105 81 F HN 0.506 nan 8.300 nan 0.000 0.583 82 G N 1.841 110.683 108.800 0.069 0.000 2.932 82 G HA2 0.607 4.567 3.960 -0.000 0.000 0.283 82 G HA3 0.607 4.567 3.960 -0.000 0.000 0.283 82 G C -1.445 173.534 174.900 0.132 0.000 1.336 82 G CA -0.647 44.497 45.100 0.073 0.000 1.056 82 G HN 0.832 nan 8.290 nan 0.000 0.522 83 H N -2.567 116.493 119.070 -0.016 0.000 2.960 83 H HA 0.804 5.359 4.556 -0.000 0.000 0.303 83 H C -1.491 173.816 175.328 -0.036 0.000 1.412 83 H CA -1.242 54.789 56.048 -0.029 0.000 1.227 83 H CB 2.526 32.280 29.762 -0.013 0.000 1.912 83 H HN 0.560 nan 8.280 nan 0.000 0.583 84 I N 2.196 122.535 120.570 -0.386 0.000 2.580 84 I HA 0.018 4.188 4.170 -0.000 0.000 0.268 84 I C -1.324 174.575 176.117 -0.363 0.000 1.261 84 I CA -0.513 60.542 61.300 -0.408 0.000 1.115 84 I CB 0.964 38.854 38.000 -0.183 0.000 1.387 84 I HN 0.719 nan 8.210 nan 0.000 0.474 85 D N 8.054 128.170 120.400 -0.473 0.000 2.661 85 D HA 0.006 4.645 4.640 -0.000 0.000 0.244 85 D C 0.713 176.932 176.300 -0.135 0.000 1.196 85 D CA 0.555 54.413 54.000 -0.238 0.000 0.881 85 D CB 0.934 41.636 40.800 -0.164 0.000 1.141 85 D HN 0.429 nan 8.370 nan 0.000 0.530 86 L N 1.228 122.394 121.223 -0.095 0.000 2.371 86 L HA -0.024 4.316 4.340 -0.000 0.000 0.234 86 L C 1.802 178.644 176.870 -0.048 0.000 1.230 86 L CA -0.083 54.717 54.840 -0.066 0.000 0.825 86 L CB 0.140 42.168 42.059 -0.051 0.000 1.157 86 L HN 0.472 nan 8.230 nan 0.000 0.565 87 A N -0.121 122.677 122.820 -0.037 0.000 1.909 87 A HA 0.183 4.503 4.320 -0.000 0.000 0.210 87 A C 0.635 178.200 177.584 -0.031 0.000 1.273 87 A CA 0.736 52.756 52.037 -0.028 0.000 0.654 87 A CB 0.251 19.236 19.000 -0.024 0.000 0.945 87 A HN 0.632 nan 8.150 nan 0.000 0.471 88 K N 0.037 120.414 120.400 -0.038 0.000 2.469 88 K HA 0.394 4.713 4.320 -0.000 0.000 0.254 88 K C -3.039 173.521 176.600 -0.067 0.000 0.939 88 K CA -2.350 53.909 56.287 -0.047 0.000 0.812 88 K CB 2.245 34.718 32.500 -0.046 0.000 1.301 88 K HN 0.068 nan 8.250 nan 0.000 0.433 89 P HA -0.057 nan 4.420 nan 0.000 0.263 89 P C -0.610 176.576 177.300 -0.189 0.000 1.175 89 P CA 0.064 63.097 63.100 -0.111 0.000 0.761 89 P CB 0.443 32.076 31.700 -0.111 0.000 0.794 90 V N 3.581 123.392 119.914 -0.171 0.000 2.914 90 V HA 0.368 4.488 4.120 -0.000 0.000 0.314 90 V C 0.207 176.214 176.094 -0.145 0.000 1.084 90 V CA -0.781 61.403 62.300 -0.194 0.000 0.963 90 V CB 1.434 33.221 31.823 -0.060 0.000 1.025 90 V HN 0.269 nan 8.190 nan 0.000 0.432 91 F N 1.270 121.234 119.950 0.023 0.000 2.471 91 F HA 0.261 4.788 4.527 -0.000 0.000 0.353 91 F C 0.885 176.714 175.800 0.049 0.000 1.113 91 F CA -0.190 57.827 58.000 0.028 0.000 1.262 91 F CB 0.051 39.066 39.000 0.025 0.000 1.146 91 F HN 0.580 nan 8.300 nan 0.000 0.578 92 H N 3.248 122.390 119.070 0.120 0.000 3.004 92 H HA 0.232 4.788 4.556 -0.000 0.000 0.267 92 H C 0.976 176.218 175.328 -0.143 0.000 1.165 92 H CA -0.593 55.385 56.048 -0.116 0.000 1.450 92 H CB 0.657 30.192 29.762 -0.378 0.000 1.488 92 H HN 0.606 nan 8.280 nan 0.000 0.478 93 V N 3.517 123.487 119.914 0.093 0.000 2.319 93 V HA -0.398 3.722 4.120 -0.000 0.000 0.264 93 V C 2.318 178.284 176.094 -0.213 0.000 1.107 93 V CA 2.217 64.496 62.300 -0.035 0.000 1.101 93 V CB -1.249 30.574 31.823 -0.000 0.000 0.704 93 V HN 0.891 nan 8.190 nan 0.000 0.454 94 G N -1.888 106.534 108.800 -0.631 0.000 2.453 94 G HA2 0.008 3.968 3.960 -0.000 0.000 0.215 94 G HA3 0.008 3.968 3.960 -0.000 0.000 0.215 94 G C 1.431 176.111 174.900 -0.367 0.000 1.147 94 G CA 0.498 45.173 45.100 -0.709 0.000 0.802 94 G HN 0.549 nan 8.290 nan 0.000 0.535 95 F N 0.291 119.816 119.950 -0.709 0.000 2.335 95 F HA 0.140 4.667 4.527 -0.000 0.000 0.296 95 F C 2.508 178.178 175.800 -0.217 0.000 1.091 95 F CA -0.394 57.382 58.000 -0.373 0.000 1.399 95 F CB -0.057 38.796 39.000 -0.245 0.000 1.067 95 F HN 0.002 nan 8.300 nan 0.000 0.520 96 I N 1.041 121.601 120.570 -0.016 0.000 2.267 96 I HA -0.527 3.643 4.170 -0.000 0.000 0.239 96 I C 2.725 178.759 176.117 -0.138 0.000 0.984 96 I CA 1.708 62.913 61.300 -0.159 0.000 1.272 96 I CB -0.763 37.122 38.000 -0.191 0.000 0.976 96 I HN 0.171 nan 8.210 nan 0.000 0.407 97 A N -0.189 122.576 122.820 -0.092 0.000 1.903 97 A HA -0.343 3.977 4.320 -0.000 0.000 0.219 97 A C 2.333 179.882 177.584 -0.059 0.000 1.191 97 A CA 2.550 54.541 52.037 -0.076 0.000 0.638 97 A CB -0.646 18.313 19.000 -0.068 0.000 0.823 97 A HN 0.511 nan 8.150 nan 0.000 0.451 98 K N -0.691 119.680 120.400 -0.048 0.000 2.228 98 K HA 0.112 4.432 4.320 -0.000 0.000 0.202 98 K C 1.732 178.407 176.600 0.125 0.000 1.051 98 K CA 0.738 57.029 56.287 0.006 0.000 0.960 98 K CB -0.207 32.220 32.500 -0.120 0.000 0.743 98 K HN 0.553 nan 8.250 nan 0.000 0.458 99 I N 1.261 121.871 120.570 0.066 0.000 2.315 99 I HA -0.273 3.897 4.170 -0.000 0.000 0.248 99 I C 2.508 178.760 176.117 0.225 0.000 1.117 99 I CA 1.103 62.471 61.300 0.114 0.000 1.404 99 I CB -0.275 37.669 38.000 -0.093 0.000 1.071 99 I HN 0.222 nan 8.210 nan 0.000 0.419 100 K N 1.935 122.379 120.400 0.074 0.000 2.002 100 K HA -0.199 4.121 4.320 -0.000 0.000 0.209 100 K C 2.047 178.765 176.600 0.197 0.000 1.048 100 K CA 1.519 57.864 56.287 0.097 0.000 0.930 100 K CB -0.075 32.439 32.500 0.024 0.000 0.714 100 K HN 0.155 nan 8.250 nan 0.000 0.438 101 K N 0.509 121.005 120.400 0.159 0.000 2.360 101 K HA -0.088 4.232 4.320 -0.000 0.000 0.201 101 K C 1.860 178.662 176.600 0.337 0.000 1.046 101 K CA 0.970 57.351 56.287 0.156 0.000 0.940 101 K CB 0.132 32.502 32.500 -0.217 0.000 0.748 101 K HN 0.076 nan 8.250 nan 0.000 0.465 102 V N -0.213 119.934 119.914 0.388 0.000 2.500 102 V HA -0.202 3.918 4.120 -0.000 0.000 0.243 102 V C 2.281 178.460 176.094 0.142 0.000 1.039 102 V CA 1.057 63.568 62.300 0.351 0.000 1.053 102 V CB -0.176 31.896 31.823 0.415 0.000 0.695 102 V HN 0.380 nan 8.190 nan 0.000 0.463 103 C N 0.511 119.927 119.300 0.192 0.000 2.432 103 C HA -0.160 4.300 4.460 -0.000 0.000 0.277 103 C C 2.662 177.702 174.990 0.084 0.000 1.249 103 C CA 1.178 60.249 59.018 0.089 0.000 1.725 103 C CB -0.982 26.866 27.740 0.181 0.000 2.028 103 C HN 0.614 nan 8.230 nan 0.000 0.477 104 E N -0.892 119.405 120.200 0.162 0.000 2.333 104 E HA -0.230 4.120 4.350 -0.000 0.000 0.200 104 E C 1.839 178.499 176.600 0.100 0.000 1.010 104 E CA 1.192 57.674 56.400 0.137 0.000 0.841 104 E CB -0.151 29.728 29.700 0.299 0.000 0.757 104 E HN 0.703 nan 8.360 nan 0.000 0.508 105 C N -0.032 119.358 119.300 0.149 0.000 2.791 105 C HA 0.174 4.633 4.460 -0.000 0.000 0.288 105 C C 0.831 175.839 174.990 0.032 0.000 1.271 105 C CA -0.421 58.664 59.018 0.112 0.000 1.726 105 C CB 0.335 28.200 27.740 0.209 0.000 2.145 105 C HN 0.014 nan 8.230 nan 0.000 0.572 106 V N -0.197 119.708 119.914 -0.015 0.000 2.914 106 V HA 0.416 4.536 4.120 -0.000 0.000 0.314 106 V C -0.264 175.806 176.094 -0.040 0.000 1.084 106 V CA -0.861 61.407 62.300 -0.054 0.000 0.963 106 V CB 1.496 33.234 31.823 -0.142 0.000 1.025 106 V HN 0.366 nan 8.190 nan 0.000 0.432 107 C N 5.833 125.124 119.300 -0.014 0.000 2.405 107 C HA 0.637 5.096 4.460 -0.000 0.000 0.365 107 C C 0.608 175.616 174.990 0.030 0.000 1.233 107 C CA -0.608 58.427 59.018 0.029 0.000 2.230 107 C CB 0.213 27.990 27.740 0.062 0.000 2.443 107 C HN 0.809 nan 8.230 nan 0.000 0.556 108 M N 4.214 123.840 119.600 0.044 0.000 1.855 108 M HA 0.331 4.810 4.480 -0.000 0.000 0.221 108 M C 1.454 177.761 176.300 0.011 0.000 1.275 108 M CA 0.443 55.720 55.300 -0.038 0.000 0.937 108 M CB -0.775 31.741 32.600 -0.141 0.000 1.279 108 M HN 0.955 nan 8.290 nan 0.000 0.490 109 H N -1.201 117.910 119.070 0.069 0.000 4.836 109 H HA -0.223 4.333 4.556 -0.000 0.000 0.067 109 H C 1.593 176.899 175.328 -0.037 0.000 0.594 109 H CA 2.381 58.444 56.048 0.026 0.000 0.978 109 H CB -1.520 28.258 29.762 0.027 0.000 0.436 109 H HN 0.846 nan 8.280 nan 0.000 0.790 110 C N -0.168 119.187 119.300 0.092 0.000 2.406 110 C HA 0.680 5.140 4.460 -0.000 0.000 0.343 110 C C 1.859 176.832 174.990 -0.030 0.000 1.397 110 C CA 1.378 60.385 59.018 -0.017 0.000 2.069 110 C CB 0.333 28.072 27.740 -0.001 0.000 2.374 110 C HN 1.453 nan 8.230 nan 0.000 0.545 111 G N 1.634 110.433 108.800 -0.000 0.000 2.203 111 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.231 111 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.231 111 G C -0.340 174.527 174.900 -0.055 0.000 1.058 111 G CA 0.451 45.538 45.100 -0.022 0.000 0.781 111 G HN 0.963 nan 8.290 nan 0.000 0.496 112 K N -0.524 119.851 120.400 -0.040 0.000 2.306 112 K HA 0.785 5.105 4.320 -0.000 0.000 0.236 112 K C 1.122 177.704 176.600 -0.029 0.000 1.013 112 K CA -1.153 55.109 56.287 -0.042 0.000 0.857 112 K CB 1.229 33.713 32.500 -0.027 0.000 1.214 112 K HN 0.098 nan 8.250 nan 0.000 0.449 113 L N 1.802 123.013 121.223 -0.021 0.000 2.428 113 L HA -0.076 4.264 4.340 -0.000 0.000 0.266 113 L C 0.801 177.672 176.870 0.003 0.000 1.269 113 L CA 0.454 55.292 54.840 -0.003 0.000 0.821 113 L CB 0.183 42.247 42.059 0.008 0.000 1.095 113 L HN 0.629 nan 8.230 nan 0.000 0.559 114 L N 1.455 122.682 121.223 0.006 0.000 3.135 114 L HA 0.342 4.682 4.340 -0.000 0.000 0.279 114 L C -0.638 176.236 176.870 0.006 0.000 1.200 114 L CA -0.009 54.832 54.840 0.003 0.000 1.016 114 L CB 0.210 42.264 42.059 -0.009 0.000 1.391 114 L HN 0.355 nan 8.230 nan 0.000 0.588 115 L N 0.623 121.855 121.223 0.014 0.000 2.595 115 L HA 0.367 4.707 4.340 -0.000 0.000 0.259 115 L C -1.106 175.779 176.870 0.026 0.000 1.033 115 L CA -0.401 54.450 54.840 0.019 0.000 0.901 115 L CB 1.797 43.859 42.059 0.005 0.000 1.151 115 L HN -0.034 nan 8.230 nan 0.000 0.453 116 D N 1.286 121.716 120.400 0.051 0.000 2.377 116 D HA 0.090 4.730 4.640 -0.000 0.000 0.245 116 D C 0.902 177.187 176.300 -0.024 0.000 1.196 116 D CA -0.315 53.698 54.000 0.022 0.000 0.962 116 D CB 1.386 42.246 40.800 0.100 0.000 1.127 116 D HN 0.422 nan 8.370 nan 0.000 0.471 117 E N -0.125 120.004 120.200 -0.119 0.000 2.339 117 E HA -0.214 4.136 4.350 -0.000 0.000 0.201 117 E C 1.579 178.119 176.600 -0.099 0.000 1.015 117 E CA 1.034 57.364 56.400 -0.117 0.000 0.841 117 E CB -0.232 29.371 29.700 -0.162 0.000 0.754 117 E HN 0.401 nan 8.360 nan 0.000 0.508 118 H N 0.269 119.337 119.070 -0.002 0.000 2.394 118 H HA -0.096 4.460 4.556 -0.000 0.000 0.297 118 H C 0.827 176.152 175.328 -0.006 0.000 1.113 118 H CA 1.236 57.282 56.048 -0.004 0.000 1.277 118 H CB -0.161 29.598 29.762 -0.006 0.000 1.370 118 H HN 0.102 nan 8.280 nan 0.000 0.506 119 N N 1.291 120.050 118.700 0.098 0.000 2.558 119 N HA -0.046 4.693 4.740 -0.000 0.000 0.233 119 N C 1.103 176.628 175.510 0.024 0.000 1.038 119 N CA 0.055 53.135 53.050 0.050 0.000 0.934 119 N CB 0.840 39.346 38.487 0.032 0.000 1.175 119 N HN 0.358 nan 8.380 nan 0.000 0.512 120 E N 3.675 123.887 120.200 0.021 0.000 2.149 120 E HA -0.254 4.096 4.350 -0.000 0.000 0.215 120 E C 1.230 177.832 176.600 0.003 0.000 1.055 120 E CA 1.688 58.094 56.400 0.009 0.000 0.870 120 E CB -0.006 29.700 29.700 0.010 0.000 0.764 120 E HN 0.678 nan 8.360 nan 0.000 0.463 121 L N -0.177 121.047 121.223 0.002 0.000 2.197 121 L HA -0.238 4.102 4.340 -0.000 0.000 0.215 121 L C 2.722 179.591 176.870 -0.002 0.000 1.095 121 L CA 1.205 56.044 54.840 -0.003 0.000 0.764 121 L CB -0.499 41.554 42.059 -0.009 0.000 0.897 121 L HN 0.382 nan 8.230 nan 0.000 0.436 122 M N 0.100 119.700 119.600 -0.000 0.000 2.156 122 M HA -0.124 4.356 4.480 -0.000 0.000 0.264 122 M C 2.323 178.625 176.300 0.003 0.000 1.067 122 M CA 1.699 57.000 55.300 0.002 0.000 1.131 122 M CB -0.256 32.346 32.600 0.003 0.000 1.368 122 M HN -0.031 nan 8.290 nan 0.000 0.416 123 R N -0.314 120.185 120.500 -0.002 0.000 2.094 123 R HA -0.218 4.122 4.340 -0.000 0.000 0.239 123 R C 2.263 178.566 176.300 0.005 0.000 1.137 123 R CA 2.293 58.391 56.100 -0.003 0.000 0.943 123 R CB -0.815 29.480 30.300 -0.009 0.000 0.850 123 R HN 0.565 nan 8.270 nan 0.000 0.433 124 Q N -0.154 119.649 119.800 0.005 0.000 2.142 124 Q HA -0.278 4.062 4.340 -0.000 0.000 0.213 124 Q C 2.183 178.192 176.000 0.015 0.000 1.004 124 Q CA 2.113 57.921 55.803 0.009 0.000 0.883 124 Q CB -0.291 28.451 28.738 0.007 0.000 0.939 124 Q HN 0.470 nan 8.270 nan 0.000 0.413 125 A N 0.508 123.338 122.820 0.016 0.000 1.898 125 A HA -0.051 4.269 4.320 -0.000 0.000 0.214 125 A C 1.810 179.415 177.584 0.034 0.000 1.183 125 A CA 0.640 52.693 52.037 0.025 0.000 0.622 125 A CB -0.402 18.612 19.000 0.024 0.000 0.824 125 A HN 0.309 nan 8.150 nan 0.000 0.444 126 L N -0.600 120.640 121.223 0.029 0.000 2.786 126 L HA -0.026 4.314 4.340 -0.000 0.000 0.250 126 L C 1.893 178.780 176.870 0.029 0.000 1.151 126 L CA 0.476 55.336 54.840 0.033 0.000 0.910 126 L CB -0.375 41.696 42.059 0.021 0.000 1.082 126 L HN 0.490 nan 8.230 nan 0.000 0.433 127 A N -0.763 122.074 122.820 0.028 0.000 2.340 127 A HA 0.297 4.616 4.320 -0.000 0.000 0.213 127 A C 1.024 178.625 177.584 0.030 0.000 1.299 127 A CA -0.355 51.697 52.037 0.025 0.000 0.994 127 A CB 0.291 19.302 19.000 0.019 0.000 1.132 127 A HN 0.246 nan 8.150 nan 0.000 0.519 128 I N 2.682 123.272 120.570 0.034 0.000 2.856 128 I HA -0.055 4.115 4.170 -0.000 0.000 0.312 128 I C -0.178 175.963 176.117 0.041 0.000 1.186 128 I CA 0.266 61.588 61.300 0.037 0.000 2.036 128 I CB -0.421 37.603 38.000 0.041 0.000 1.589 128 I HN 0.156 nan 8.210 nan 0.000 0.968 129 K N 5.684 126.105 120.400 0.035 0.000 2.366 129 K HA -0.043 4.277 4.320 -0.000 0.000 0.272 129 K C -0.243 176.379 176.600 0.036 0.000 1.151 129 K CA 0.738 57.046 56.287 0.035 0.000 1.173 129 K CB 0.002 32.520 32.500 0.030 0.000 0.853 129 K HN 0.475 nan 8.250 nan 0.000 0.473 130 D N 1.472 121.896 120.400 0.040 0.000 2.590 130 D HA -0.093 4.546 4.640 -0.000 0.000 0.121 130 D C 0.323 176.650 176.300 0.045 0.000 0.991 130 D CA -0.126 53.896 54.000 0.038 0.000 1.462 130 D CB 0.183 41.006 40.800 0.039 0.000 2.533 130 D HN 0.394 nan 8.370 nan 0.000 0.758 131 S N 2.114 117.830 115.700 0.026 0.000 2.711 131 S HA -0.036 4.434 4.470 -0.000 0.000 0.237 131 S C 1.029 175.631 174.600 0.003 0.000 0.971 131 S CA 0.741 58.949 58.200 0.013 0.000 0.964 131 S CB 0.232 63.413 63.200 -0.032 0.000 0.775 131 S HN 0.473 nan 8.310 nan 0.000 0.540 132 K N 0.301 120.726 120.400 0.042 0.000 2.606 132 K HA 0.268 4.588 4.320 -0.000 0.000 0.199 132 K C 1.744 178.414 176.600 0.116 0.000 1.403 132 K CA -0.024 56.303 56.287 0.067 0.000 1.011 132 K CB 0.051 32.557 32.500 0.009 0.000 1.623 132 K HN 0.102 nan 8.250 nan 0.000 0.512 133 K N 1.435 121.879 120.400 0.074 0.000 2.211 133 K HA -0.056 4.264 4.320 -0.000 0.000 0.203 133 K C 2.124 178.770 176.600 0.076 0.000 1.050 133 K CA 0.920 57.246 56.287 0.066 0.000 0.945 133 K CB 0.091 32.619 32.500 0.047 0.000 0.732 133 K HN 0.060 nan 8.250 nan 0.000 0.451 134 R N 0.713 121.270 120.500 0.096 0.000 2.064 134 R HA -0.127 4.213 4.340 -0.000 0.000 0.228 134 R C 2.043 178.423 176.300 0.133 0.000 1.144 134 R CA 1.440 57.602 56.100 0.103 0.000 0.932 134 R CB -0.479 29.887 30.300 0.111 0.000 0.833 134 R HN 0.159 nan 8.270 nan 0.000 0.429 135 F N 1.519 121.497 119.950 0.047 0.000 2.380 135 F HA -0.164 4.363 4.527 -0.000 0.000 0.299 135 F C 1.652 177.505 175.800 0.089 0.000 1.064 135 F CA 1.117 59.157 58.000 0.066 0.000 1.432 135 F CB -0.133 38.873 39.000 0.009 0.000 1.089 135 F HN 0.206 nan 8.300 nan 0.000 0.562 136 A N -0.063 122.736 122.820 -0.035 0.000 1.911 136 A HA 0.248 4.568 4.320 -0.000 0.000 0.212 136 A C 2.394 179.986 177.584 0.014 0.000 1.189 136 A CA 0.899 52.908 52.037 -0.048 0.000 0.639 136 A CB -1.291 17.728 19.000 0.032 0.000 0.839 136 A HN 0.398 nan 8.150 nan 0.000 0.449 137 A N 0.338 123.170 122.820 0.021 0.000 1.872 137 A HA -0.015 4.305 4.320 -0.000 0.000 0.214 137 A C 2.070 179.660 177.584 0.009 0.000 1.187 137 A CA 1.365 53.415 52.037 0.021 0.000 0.614 137 A CB -0.690 18.325 19.000 0.024 0.000 0.826 137 A HN 0.457 nan 8.150 nan 0.000 0.442 138 I N -2.183 118.393 120.570 0.010 0.000 2.113 138 I HA -0.330 3.840 4.170 -0.000 0.000 0.242 138 I C 2.439 178.560 176.117 0.007 0.000 1.064 138 I CA 2.044 63.353 61.300 0.016 0.000 1.320 138 I CB -0.470 37.567 38.000 0.062 0.000 1.028 138 I HN 0.710 nan 8.210 nan 0.000 0.406 139 W N 2.098 123.223 121.300 -0.291 0.000 2.322 139 W HA -0.258 4.402 4.660 -0.000 0.000 0.326 139 W C 2.763 179.181 176.519 -0.167 0.000 1.224 139 W CA 2.567 59.739 57.345 -0.288 0.000 1.257 139 W CB -0.994 28.183 29.460 -0.471 0.000 1.174 139 W HN 0.004 nan 8.180 nan 0.000 0.460 140 T N 1.896 116.361 114.554 -0.148 0.000 2.792 140 T HA -0.299 4.051 4.350 -0.000 0.000 0.268 140 T C 1.910 176.442 174.700 -0.281 0.000 1.059 140 T CA 1.837 63.727 62.100 -0.350 0.000 1.136 140 T CB -0.614 68.184 68.868 -0.115 0.000 0.846 140 T HN 0.208 nan 8.240 nan 0.000 0.489 141 L N 0.713 121.837 121.223 -0.166 0.000 2.007 141 L HA -0.064 4.276 4.340 -0.000 0.000 0.205 141 L C 2.668 179.455 176.870 -0.138 0.000 1.073 141 L CA 1.451 56.218 54.840 -0.121 0.000 0.744 141 L CB -0.381 41.641 42.059 -0.060 0.000 0.898 141 L HN 0.494 nan 8.230 nan 0.000 0.435 142 C N -1.970 117.250 119.300 -0.134 0.000 2.754 142 C HA 0.127 4.587 4.460 -0.000 0.000 0.276 142 C C 1.941 176.826 174.990 -0.175 0.000 1.264 142 C CA -0.613 58.334 59.018 -0.117 0.000 1.700 142 C CB -1.618 26.088 27.740 -0.057 0.000 1.885 142 C HN 0.447 nan 8.230 nan 0.000 0.607 143 K N 0.817 121.026 120.400 -0.318 0.000 2.522 143 K HA 0.128 4.448 4.320 -0.000 0.000 0.194 143 K C 0.939 177.364 176.600 -0.292 0.000 1.026 143 K CA 0.863 56.910 56.287 -0.400 0.000 1.119 143 K CB -0.251 31.728 32.500 -0.868 0.000 0.856 143 K HN 0.387 nan 8.250 nan 0.000 0.513 144 T N 0.218 114.643 114.554 -0.214 0.000 3.151 144 T HA 0.073 4.423 4.350 -0.000 0.000 0.239 144 T C -0.226 174.407 174.700 -0.112 0.000 0.979 144 T CA -0.052 61.954 62.100 -0.157 0.000 1.194 144 T CB 0.250 69.035 68.868 -0.138 0.000 0.982 144 T HN 0.082 nan 8.240 nan 0.000 0.428 145 K N 2.720 123.063 120.400 -0.094 0.000 2.419 145 K HA 0.218 4.538 4.320 -0.000 0.000 0.282 145 K C -0.281 176.282 176.600 -0.062 0.000 1.056 145 K CA 0.455 56.703 56.287 -0.064 0.000 1.035 145 K CB -0.093 32.378 32.500 -0.049 0.000 0.921 145 K HN 0.420 nan 8.250 nan 0.000 0.472 146 M N 2.052 121.620 119.600 -0.052 0.000 2.869 146 M HA 0.161 4.641 4.480 -0.000 0.000 0.353 146 M C -0.747 175.542 176.300 -0.017 0.000 1.224 146 M CA -0.302 54.968 55.300 -0.051 0.000 0.917 146 M CB 0.678 33.234 32.600 -0.073 0.000 1.322 146 M HN 0.030 nan 8.290 nan 0.000 0.516 147 V N 0.167 120.078 119.914 -0.004 0.000 2.614 147 V HA 0.064 4.184 4.120 -0.000 0.000 0.281 147 V C -0.408 175.695 176.094 0.014 0.000 1.031 147 V CA -1.194 61.117 62.300 0.017 0.000 0.899 147 V CB 1.708 33.538 31.823 0.012 0.000 1.037 147 V HN 0.514 nan 8.190 nan 0.000 0.456 148 C N 5.683 124.999 119.300 0.028 0.000 2.887 148 C HA 0.120 4.580 4.460 -0.000 0.000 0.392 148 C C 1.097 176.092 174.990 0.008 0.000 1.191 148 C CA -0.001 59.030 59.018 0.022 0.000 1.252 148 C CB -1.736 26.029 27.740 0.042 0.000 1.926 148 C HN 0.861 nan 8.230 nan 0.000 0.589 149 E N 2.614 122.814 120.200 0.000 0.000 2.422 149 E HA 0.056 4.406 4.350 -0.000 0.000 0.260 149 E C 0.969 177.560 176.600 -0.015 0.000 1.108 149 E CA 0.337 56.731 56.400 -0.010 0.000 0.943 149 E CB 0.560 30.251 29.700 -0.014 0.000 0.961 149 E HN 0.649 nan 8.360 nan 0.000 0.443 150 T N 0.599 115.138 114.554 -0.024 0.000 3.058 150 T HA 0.086 4.436 4.350 -0.000 0.000 0.278 150 T C -0.996 173.677 174.700 -0.046 0.000 0.974 150 T CA -0.232 61.849 62.100 -0.031 0.000 0.893 150 T CB 0.356 69.207 68.868 -0.028 0.000 1.138 150 T HN 0.358 nan 8.240 nan 0.000 0.529 151 D N 1.495 121.866 120.400 -0.049 0.000 2.616 151 D HA 0.469 5.108 4.640 -0.000 0.000 0.238 151 D C -1.097 175.164 176.300 -0.064 0.000 1.354 151 D CA -0.175 53.788 54.000 -0.061 0.000 0.970 151 D CB 2.529 43.302 40.800 -0.045 0.000 1.369 151 D HN 0.002 nan 8.370 nan 0.000 0.585 152 V N 1.780 121.638 119.914 -0.094 0.000 2.925 152 V HA 0.413 4.533 4.120 -0.000 0.000 0.311 152 V C -2.383 173.657 176.094 -0.090 0.000 1.104 152 V CA -1.893 60.358 62.300 -0.082 0.000 0.954 152 V CB 2.763 34.538 31.823 -0.079 0.000 1.022 152 V HN 0.315 nan 8.190 nan 0.000 0.427 153 P HA 0.056 nan 4.420 nan 0.000 0.262 153 P C 0.498 177.777 177.300 -0.035 0.000 1.455 153 P CA 0.261 63.337 63.100 -0.040 0.000 1.217 153 P CB -0.047 31.640 31.700 -0.022 0.000 1.625 154 S N 2.692 118.355 115.700 -0.061 0.000 2.822 154 S HA -0.139 4.331 4.470 -0.000 0.000 0.251 154 S C 1.381 175.999 174.600 0.030 0.000 1.441 154 S CA 0.014 58.197 58.200 -0.028 0.000 0.983 154 S CB -0.001 63.171 63.200 -0.047 0.000 0.910 154 S HN 0.431 nan 8.310 nan 0.000 0.557 155 E N 0.796 121.039 120.200 0.072 0.000 2.219 155 E HA -0.139 4.211 4.350 -0.000 0.000 0.198 155 E C 0.214 176.831 176.600 0.029 0.000 0.998 155 E CA 1.197 57.631 56.400 0.055 0.000 0.818 155 E CB -0.362 29.374 29.700 0.060 0.000 0.741 155 E HN 0.587 nan 8.360 nan 0.000 0.477 156 D N 1.929 122.342 120.400 0.021 0.000 2.393 156 D HA -0.012 4.628 4.640 -0.000 0.000 0.246 156 D C 0.025 176.328 176.300 0.004 0.000 1.275 156 D CA -0.147 53.859 54.000 0.010 0.000 0.979 156 D CB 0.247 41.050 40.800 0.005 0.000 1.101 156 D HN 0.017 nan 8.370 nan 0.000 0.505 157 D N 1.241 121.642 120.400 0.001 0.000 2.703 157 D HA -0.075 4.564 4.640 -0.000 0.000 0.225 157 D C -1.636 174.661 176.300 -0.004 0.000 1.119 157 D CA -0.545 53.454 54.000 -0.001 0.000 0.845 157 D CB 0.292 41.091 40.800 -0.003 0.000 1.182 157 D HN 0.162 nan 8.370 nan 0.000 0.493 158 P HA -0.072 nan 4.420 nan 0.000 0.244 158 P C 0.604 177.897 177.300 -0.011 0.000 1.211 158 P CA 0.513 63.609 63.100 -0.008 0.000 0.760 158 P CB 0.085 31.782 31.700 -0.006 0.000 0.961 159 T N -1.555 112.994 114.554 -0.009 0.000 3.086 159 T HA 0.100 4.450 4.350 -0.000 0.000 0.250 159 T C 0.832 175.525 174.700 -0.012 0.000 1.074 159 T CA 0.408 62.502 62.100 -0.010 0.000 0.988 159 T CB 0.055 68.918 68.868 -0.007 0.000 0.988 159 T HN 0.021 nan 8.240 nan 0.000 0.530 160 Q N 2.014 121.805 119.800 -0.014 0.000 2.907 160 Q HA 0.382 4.721 4.340 -0.000 0.000 0.262 160 Q C -0.682 175.302 176.000 -0.026 0.000 0.997 160 Q CA -0.093 55.700 55.803 -0.017 0.000 0.797 160 Q CB 0.761 29.492 28.738 -0.013 0.000 1.228 160 Q HN 0.493 nan 8.270 nan 0.000 0.466 161 L N 0.557 121.760 121.223 -0.032 0.000 2.467 161 L HA 0.444 4.784 4.340 -0.000 0.000 0.270 161 L C 0.382 177.216 176.870 -0.061 0.000 1.205 161 L CA -0.365 54.446 54.840 -0.049 0.000 0.828 161 L CB 0.367 42.399 42.059 -0.045 0.000 1.101 161 L HN 0.003 nan 8.230 nan 0.000 0.479 162 V N 0.141 119.997 119.914 -0.097 0.000 3.040 162 V HA 0.448 4.568 4.120 -0.000 0.000 0.312 162 V C 0.043 176.052 176.094 -0.141 0.000 1.115 162 V CA -0.611 61.622 62.300 -0.112 0.000 0.998 162 V CB 2.258 34.003 31.823 -0.129 0.000 1.042 162 V HN 0.981 nan 8.190 nan 0.000 0.433 163 S N 2.780 118.415 115.700 -0.108 0.000 2.738 163 S HA 0.874 5.344 4.470 -0.000 0.000 0.284 163 S C -0.199 174.344 174.600 -0.096 0.000 1.146 163 S CA -0.446 57.699 58.200 -0.093 0.000 0.997 163 S CB 2.122 65.290 63.200 -0.053 0.000 1.081 163 S HN 0.978 nan 8.310 nan 0.000 0.553 164 R N -0.319 120.149 120.500 -0.054 0.000 3.352 164 R HA 0.577 4.917 4.340 -0.000 0.000 0.117 164 R C 0.749 177.046 176.300 -0.006 0.000 0.626 164 R CA -0.573 55.520 56.100 -0.010 0.000 0.413 164 R CB -0.540 29.769 30.300 0.015 0.000 0.924 164 R HN 0.788 nan 8.270 nan 0.000 0.330 165 G N -0.429 108.374 108.800 0.003 0.000 2.712 165 G HA2 0.376 4.336 3.960 -0.000 0.000 0.258 165 G HA3 0.376 4.336 3.960 -0.000 0.000 0.258 165 G C 0.105 174.997 174.900 -0.014 0.000 1.241 165 G CA -0.069 45.028 45.100 -0.005 0.000 0.923 165 G HN 0.621 nan 8.290 nan 0.000 0.548 166 G N -2.107 106.682 108.800 -0.017 0.000 2.849 166 G HA2 0.471 4.431 3.960 -0.000 0.000 0.174 166 G HA3 0.471 4.431 3.960 -0.000 0.000 0.174 166 G C 0.628 175.514 174.900 -0.023 0.000 1.370 166 G CA 0.316 45.402 45.100 -0.023 0.000 1.040 166 G HN 2.066 nan 8.290 nan 0.000 0.582 167 C N -1.330 117.946 119.300 -0.039 0.000 1.580 167 C HA 0.042 4.502 4.460 -0.000 0.000 0.188 167 C C 1.470 176.439 174.990 -0.037 0.000 0.935 167 C CA -0.755 58.227 59.018 -0.061 0.000 3.350 167 C CB -1.661 26.034 27.740 -0.076 0.000 1.953 167 C HN 1.476 nan 8.230 nan 0.000 0.178 168 G N 3.616 112.392 108.800 -0.040 0.000 3.088 168 G HA2 0.140 4.100 3.960 -0.000 0.000 0.217 168 G HA3 0.140 4.100 3.960 -0.000 0.000 0.217 168 G C 0.455 175.359 174.900 0.007 0.000 1.159 168 G CA -0.187 44.906 45.100 -0.012 0.000 0.760 168 G HN 0.987 nan 8.290 nan 0.000 0.550 169 N N 2.320 121.003 118.700 -0.029 0.000 2.047 169 N HA -0.077 4.663 4.740 -0.000 0.000 0.292 169 N C 0.616 176.219 175.510 0.156 0.000 1.356 169 N CA 0.803 53.862 53.050 0.016 0.000 0.836 169 N CB 0.309 38.690 38.487 -0.177 0.000 1.113 169 N HN 0.019 nan 8.380 nan 0.000 0.495 170 T N 2.641 117.301 114.554 0.177 0.000 2.854 170 T HA -0.086 4.264 4.350 -0.000 0.000 0.336 170 T C 0.715 175.535 174.700 0.200 0.000 1.095 170 T CA 0.308 62.515 62.100 0.177 0.000 1.118 170 T CB 0.314 69.304 68.868 0.202 0.000 1.025 170 T HN 0.377 nan 8.240 nan 0.000 0.549 171 Q N 2.523 122.334 119.800 0.019 0.000 2.327 171 Q HA 0.323 4.663 4.340 -0.000 0.000 0.270 171 Q C -2.438 173.342 176.000 -0.366 0.000 1.022 171 Q CA -2.076 53.650 55.803 -0.129 0.000 0.773 171 Q CB 1.856 30.554 28.738 -0.067 0.000 1.251 171 Q HN 0.407 nan 8.270 nan 0.000 0.457 172 P HA -0.023 nan 4.420 nan 0.000 0.271 172 P C -0.517 176.483 177.300 -0.500 0.000 1.226 172 P CA -0.134 62.390 63.100 -0.959 0.000 0.765 172 P CB 0.779 31.186 31.700 -2.156 0.000 0.835 173 T N 5.240 119.613 114.554 -0.303 0.000 2.871 173 T HA 0.146 4.496 4.350 -0.000 0.000 0.296 173 T C 0.885 175.483 174.700 -0.170 0.000 0.998 173 T CA 0.392 62.382 62.100 -0.184 0.000 1.162 173 T CB -0.204 68.592 68.868 -0.120 0.000 0.947 173 T HN 0.248 nan 8.240 nan 0.000 0.536 174 I N 3.623 124.127 120.570 -0.111 0.000 2.793 174 I HA 0.672 4.842 4.170 -0.000 0.000 0.313 174 I C 0.519 176.628 176.117 -0.012 0.000 0.998 174 I CA -1.112 60.150 61.300 -0.064 0.000 1.140 174 I CB 1.281 39.266 38.000 -0.025 0.000 1.327 174 I HN 0.637 nan 8.210 nan 0.000 0.491 175 R N 2.028 122.530 120.500 0.003 0.000 2.629 175 R HA 0.443 4.783 4.340 -0.000 0.000 0.266 175 R C -1.444 174.866 176.300 0.017 0.000 1.051 175 R CA -1.103 55.008 56.100 0.018 0.000 0.895 175 R CB 1.610 31.918 30.300 0.014 0.000 1.246 175 R HN 0.460 nan 8.270 nan 0.000 0.459 176 K N 1.302 121.711 120.400 0.015 0.000 2.202 176 K HA 0.133 4.453 4.320 -0.000 0.000 0.264 176 K C -1.058 175.552 176.600 0.017 0.000 1.010 176 K CA -0.078 56.211 56.287 0.003 0.000 0.940 176 K CB 0.775 33.272 32.500 -0.006 0.000 0.983 176 K HN 0.716 nan 8.250 nan 0.000 0.475 177 D N 1.893 122.305 120.400 0.020 0.000 2.795 177 D HA 0.202 4.842 4.640 -0.000 0.000 0.206 177 D C 0.261 176.592 176.300 0.051 0.000 1.278 177 D CA 0.718 54.740 54.000 0.037 0.000 0.839 177 D CB 1.154 41.981 40.800 0.045 0.000 1.700 177 D HN 0.787 nan 8.370 nan 0.000 0.549 178 G N 2.765 111.599 108.800 0.057 0.000 2.652 178 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.318 178 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.318 178 G C 0.635 175.585 174.900 0.083 0.000 1.295 178 G CA 0.753 45.901 45.100 0.080 0.000 0.999 178 G HN 0.582 nan 8.290 nan 0.000 0.548 179 L N 0.638 121.938 121.223 0.129 0.000 2.984 179 L HA 0.443 4.782 4.340 -0.000 0.000 0.246 179 L C 0.395 177.438 176.870 0.289 0.000 1.268 179 L CA 0.072 55.018 54.840 0.177 0.000 1.054 179 L CB -0.080 42.105 42.059 0.210 0.000 1.393 179 L HN 0.302 nan 8.230 nan 0.000 0.532 180 K N 0.629 121.144 120.400 0.193 0.000 2.542 180 K HA 0.588 4.908 4.320 -0.000 0.000 0.259 180 K C -1.175 175.500 176.600 0.125 0.000 0.932 180 K CA -0.675 55.777 56.287 0.276 0.000 0.820 180 K CB 3.109 35.756 32.500 0.245 0.000 1.345 180 K HN -0.042 nan 8.250 nan 0.000 0.432 181 L N 1.539 122.841 121.223 0.132 0.000 2.375 181 L HA 0.701 5.041 4.340 -0.000 0.000 0.268 181 L C -0.554 176.382 176.870 0.110 0.000 1.058 181 L CA -1.091 53.790 54.840 0.068 0.000 0.803 181 L CB 1.595 43.674 42.059 0.033 0.000 1.212 181 L HN 0.287 nan 8.230 nan 0.000 0.451 182 V N 0.075 120.034 119.914 0.075 0.000 3.048 182 V HA 0.775 4.895 4.120 -0.000 0.000 0.303 182 V C -0.247 175.863 176.094 0.026 0.000 1.214 182 V CA -0.452 61.901 62.300 0.088 0.000 0.984 182 V CB 2.199 34.078 31.823 0.094 0.000 1.054 182 V HN 0.880 nan 8.190 nan 0.000 0.430 183 G N 1.519 110.320 108.800 0.001 0.000 2.642 183 G HA2 0.768 4.727 3.960 -0.000 0.000 0.293 183 G HA3 0.768 4.727 3.960 -0.000 0.000 0.293 183 G C -0.966 173.861 174.900 -0.121 0.000 1.341 183 G CA -0.291 44.694 45.100 -0.192 0.000 0.916 183 G HN 1.033 nan 8.290 nan 0.000 0.474 184 S N -0.205 115.395 115.700 -0.166 0.000 2.605 184 S HA 0.624 5.094 4.470 -0.000 0.000 0.308 184 S C -0.481 174.158 174.600 0.064 0.000 1.113 184 S CA -0.887 57.380 58.200 0.112 0.000 1.049 184 S CB 1.297 64.554 63.200 0.095 0.000 1.001 184 S HN 0.639 nan 8.310 nan 0.000 0.480 185 W N 2.091 123.405 121.300 0.024 0.000 2.154 185 W HA 0.509 5.169 4.660 -0.000 0.000 0.486 185 W C 0.907 177.436 176.519 0.016 0.000 1.940 185 W CA -1.011 56.349 57.345 0.024 0.000 2.166 185 W CB 0.778 30.257 29.460 0.032 0.000 1.738 185 W HN 0.674 nan 8.180 nan 0.000 0.741 186 K N -0.820 119.745 120.400 0.274 0.000 2.712 186 K HA 0.105 4.424 4.320 -0.000 0.000 0.311 186 K C -0.769 175.895 176.600 0.106 0.000 1.218 186 K CA -0.677 55.698 56.287 0.146 0.000 0.987 186 K CB 0.262 32.818 32.500 0.093 0.000 3.372 186 K HN 0.053 nan 8.250 nan 0.000 1.126 187 K N 2.500 122.947 120.400 0.079 0.000 3.493 187 K HA -0.083 4.237 4.320 -0.000 0.000 0.735 187 K C -2.046 174.575 176.600 0.034 0.000 1.091 187 K CA 0.885 57.203 56.287 0.052 0.000 1.154 187 K CB -1.915 30.612 32.500 0.045 0.000 2.332 187 K HN 0.687 nan 8.250 nan 0.000 0.339 188 D N -0.057 120.360 120.400 0.029 0.000 10.640 188 D HA -0.194 4.446 4.640 -0.000 0.000 0.360 188 D C -0.655 175.658 176.300 0.021 0.000 3.073 188 D CA 0.820 54.832 54.000 0.020 0.000 2.519 188 D CB -0.042 40.767 40.800 0.014 0.000 1.179 188 D HN 0.602 nan 8.370 nan 0.000 0.978 189 R N 0.635 121.144 120.500 0.016 0.000 3.039 189 R HA 0.484 4.824 4.340 -0.000 0.000 0.264 189 R C -0.265 176.042 176.300 0.011 0.000 1.708 189 R CA 0.649 56.758 56.100 0.015 0.000 1.134 189 R CB 0.125 30.434 30.300 0.016 0.000 1.386 189 R HN 0.887 nan 8.270 nan 0.000 0.477 190 A N 1.246 124.072 122.820 0.010 0.000 3.562 190 A HA -0.173 4.147 4.320 -0.000 0.000 0.232 190 A C 0.633 178.221 177.584 0.006 0.000 1.178 190 A CA 1.319 53.360 52.037 0.007 0.000 1.500 190 A CB -1.681 17.323 19.000 0.007 0.000 1.009 190 A HN 0.601 nan 8.150 nan 0.000 0.862 191 T N -0.701 113.857 114.554 0.007 0.000 2.896 191 T HA 0.465 4.815 4.350 -0.000 0.000 0.238 191 T C 1.138 175.840 174.700 0.004 0.000 1.045 191 T CA 1.269 63.372 62.100 0.005 0.000 1.248 191 T CB 0.095 68.967 68.868 0.006 0.000 0.955 191 T HN 1.882 nan 8.240 nan 0.000 0.416 192 G N 1.662 110.465 108.800 0.005 0.000 2.417 192 G HA2 0.501 4.460 3.960 -0.000 0.000 0.282 192 G HA3 0.501 4.460 3.960 -0.000 0.000 0.282 192 G C -1.708 173.194 174.900 0.004 0.000 1.388 192 G CA -0.582 44.520 45.100 0.003 0.000 1.276 192 G HN 0.266 nan 8.290 nan 0.000 0.602 193 D N 0.756 121.158 120.400 0.003 0.000 10.998 193 D HA -0.085 4.555 4.640 -0.000 0.000 0.363 193 D C 1.296 177.601 176.300 0.008 0.000 3.051 193 D CA 2.181 56.183 54.000 0.003 0.000 2.547 193 D CB -0.292 40.507 40.800 -0.002 0.000 1.091 193 D HN 1.944 nan 8.370 nan 0.000 0.945 194 A N 0.645 123.470 122.820 0.008 0.000 1.254 194 A HA -0.380 3.940 4.320 -0.000 0.000 0.239 194 A C 1.102 178.701 177.584 0.026 0.000 0.901 194 A CA 2.857 54.904 52.037 0.017 0.000 1.095 194 A CB -1.657 17.357 19.000 0.023 0.000 1.471 194 A HN 1.030 nan 8.150 nan 0.000 0.723 195 D N -0.866 119.549 120.400 0.026 0.000 4.207 195 D HA -0.262 4.378 4.640 -0.000 0.000 0.160 195 D C 0.733 177.054 176.300 0.035 0.000 0.724 195 D CA 2.335 56.350 54.000 0.026 0.000 1.104 195 D CB -1.667 39.145 40.800 0.019 0.000 0.509 195 D HN 1.458 nan 8.370 nan 0.000 0.475 196 E N 4.097 124.317 120.200 0.032 0.000 2.683 196 E HA 0.085 4.435 4.350 -0.000 0.000 0.266 196 E C -2.166 174.467 176.600 0.054 0.000 1.434 196 E CA -0.475 55.947 56.400 0.037 0.000 1.137 196 E CB -1.039 28.680 29.700 0.031 0.000 0.992 196 E HN 0.239 nan 8.360 nan 0.000 0.607 197 P HA -0.019 nan 4.420 nan 0.000 0.278 197 P C -0.507 176.859 177.300 0.110 0.000 1.270 197 P CA 0.390 63.544 63.100 0.090 0.000 0.800 197 P CB 0.257 32.003 31.700 0.077 0.000 1.142 198 E N -0.352 119.952 120.200 0.173 0.000 3.191 198 E HA 0.233 4.582 4.350 -0.000 0.000 0.303 198 E C -0.717 176.030 176.600 0.246 0.000 1.197 198 E CA -0.256 56.241 56.400 0.162 0.000 0.901 198 E CB -0.203 29.580 29.700 0.138 0.000 1.446 198 E HN 0.284 nan 8.360 nan 0.000 0.385 199 L N 2.733 124.069 121.223 0.188 0.000 2.534 199 L HA 0.204 4.544 4.340 -0.000 0.000 0.271 199 L C 0.408 177.387 176.870 0.182 0.000 1.178 199 L CA 0.703 55.669 54.840 0.209 0.000 0.907 199 L CB 0.134 42.268 42.059 0.125 0.000 1.164 199 L HN 0.314 nan 8.230 nan 0.000 0.482 200 R N 2.550 123.231 120.500 0.301 0.000 2.725 200 R HA 0.620 4.960 4.340 -0.000 0.000 0.277 200 R C -1.421 175.021 176.300 0.236 0.000 0.987 200 R CA -0.723 55.497 56.100 0.199 0.000 0.901 200 R CB 1.868 32.212 30.300 0.073 0.000 1.207 200 R HN 0.313 nan 8.270 nan 0.000 0.463 201 V N 4.598 124.596 119.914 0.140 0.000 2.649 201 V HA 0.269 4.389 4.120 -0.000 0.000 0.292 201 V C 0.216 176.412 176.094 0.170 0.000 1.055 201 V CA -0.561 61.822 62.300 0.138 0.000 1.023 201 V CB 1.269 33.142 31.823 0.083 0.000 0.992 201 V HN 0.606 nan 8.190 nan 0.000 0.480 202 L N 4.583 125.922 121.223 0.194 0.000 2.287 202 L HA 0.323 4.662 4.340 -0.000 0.000 0.280 202 L C 0.774 177.765 176.870 0.202 0.000 1.055 202 L CA -0.141 54.829 54.840 0.217 0.000 0.863 202 L CB 1.030 43.236 42.059 0.245 0.000 1.245 202 L HN 0.868 nan 8.230 nan 0.000 0.432 203 S N 0.130 115.909 115.700 0.131 0.000 2.568 203 S HA 0.021 4.491 4.470 -0.000 0.000 0.282 203 S C 1.483 176.093 174.600 0.017 0.000 1.338 203 S CA -0.049 58.190 58.200 0.065 0.000 1.045 203 S CB 1.162 64.389 63.200 0.045 0.000 0.873 203 S HN 0.735 nan 8.310 nan 0.000 0.516 204 T N 1.382 115.847 114.554 -0.148 0.000 2.635 204 T HA -0.253 4.097 4.350 -0.000 0.000 0.267 204 T C 1.357 175.980 174.700 -0.128 0.000 1.040 204 T CA 1.799 63.692 62.100 -0.345 0.000 1.156 204 T CB -1.162 67.407 68.868 -0.498 0.000 0.863 204 T HN 0.802 nan 8.240 nan 0.000 0.430 205 E N 1.419 121.573 120.200 -0.076 0.000 2.065 205 E HA -0.220 4.129 4.350 -0.000 0.000 0.201 205 E C 2.286 178.902 176.600 0.027 0.000 1.016 205 E CA 1.648 58.035 56.400 -0.022 0.000 0.818 205 E CB -0.306 29.389 29.700 -0.008 0.000 0.749 205 E HN 0.763 nan 8.360 nan 0.000 0.453 206 E N 0.504 120.734 120.200 0.050 0.000 2.026 206 E HA -0.253 4.096 4.350 -0.000 0.000 0.206 206 E C 2.089 178.772 176.600 0.138 0.000 1.028 206 E CA 1.554 58.008 56.400 0.089 0.000 0.845 206 E CB -0.039 29.723 29.700 0.104 0.000 0.772 206 E HN 0.128 nan 8.360 nan 0.000 0.462 207 I N 1.388 122.069 120.570 0.184 0.000 2.118 207 I HA -0.296 3.873 4.170 -0.000 0.000 0.241 207 I C 2.826 179.145 176.117 0.336 0.000 1.070 207 I CA 1.154 62.641 61.300 0.312 0.000 1.327 207 I CB -1.384 36.833 38.000 0.362 0.000 1.034 207 I HN 0.395 nan 8.210 nan 0.000 0.405 208 L N 1.012 122.316 121.223 0.135 0.000 1.990 208 L HA -0.291 4.049 4.340 -0.000 0.000 0.213 208 L C 2.531 179.481 176.870 0.133 0.000 1.072 208 L CA 2.061 56.945 54.840 0.074 0.000 0.755 208 L CB -0.569 41.485 42.059 -0.009 0.000 0.889 208 L HN 0.312 nan 8.230 nan 0.000 0.432 209 N N 0.608 119.362 118.700 0.090 0.000 2.069 209 N HA -0.234 4.506 4.740 -0.000 0.000 0.191 209 N C 1.859 177.421 175.510 0.086 0.000 1.031 209 N CA 2.282 55.352 53.050 0.032 0.000 0.852 209 N CB -0.277 38.238 38.487 0.047 0.000 1.018 209 N HN 0.536 nan 8.380 nan 0.000 0.423 210 I N -0.218 120.469 120.570 0.195 0.000 2.567 210 I HA -0.223 3.946 4.170 -0.000 0.000 0.257 210 I C 1.609 177.824 176.117 0.163 0.000 1.184 210 I CA 0.717 62.137 61.300 0.200 0.000 1.451 210 I CB -0.301 37.791 38.000 0.153 0.000 1.089 210 I HN 0.025 nan 8.210 nan 0.000 0.441 211 F N 1.207 121.189 119.950 0.052 0.000 2.219 211 F HA -0.049 4.478 4.527 -0.000 0.000 0.294 211 F C 2.460 178.285 175.800 0.041 0.000 1.086 211 F CA 1.187 59.215 58.000 0.047 0.000 1.330 211 F CB -0.294 38.727 39.000 0.035 0.000 1.047 211 F HN -0.180 nan 8.300 nan 0.000 0.495 212 K N -0.602 119.893 120.400 0.158 0.000 2.113 212 K HA -0.213 4.107 4.320 -0.000 0.000 0.208 212 K C 1.810 178.392 176.600 -0.030 0.000 1.047 212 K CA 1.465 57.761 56.287 0.015 0.000 0.928 212 K CB -0.432 31.985 32.500 -0.137 0.000 0.716 212 K HN 0.329 nan 8.250 nan 0.000 0.446 213 H N 0.463 119.551 119.070 0.029 0.000 2.495 213 H HA 0.067 4.623 4.556 -0.000 0.000 0.287 213 H C 0.760 176.020 175.328 -0.113 0.000 1.033 213 H CA 0.385 56.413 56.048 -0.034 0.000 1.307 213 H CB -0.243 29.510 29.762 -0.015 0.000 1.401 213 H HN 0.112 nan 8.280 nan 0.000 0.555 214 I N 1.929 122.488 120.570 -0.018 0.000 2.826 214 I HA -0.157 4.013 4.170 -0.000 0.000 0.295 214 I C 1.149 177.010 176.117 -0.428 0.000 1.213 214 I CA 0.269 61.465 61.300 -0.173 0.000 1.436 214 I CB 0.282 38.192 38.000 -0.150 0.000 1.348 214 I HN 0.105 nan 8.210 nan 0.000 0.570 215 S N 4.915 120.404 115.700 -0.352 0.000 2.561 215 S HA -0.003 4.467 4.470 -0.000 0.000 0.294 215 S C 1.244 175.407 174.600 -0.727 0.000 1.294 215 S CA -0.663 57.296 58.200 -0.400 0.000 1.055 215 S CB 0.911 63.981 63.200 -0.216 0.000 0.819 215 S HN 0.393 nan 8.310 nan 0.000 0.503 216 V N 5.182 124.751 119.914 -0.575 0.000 2.407 216 V HA -0.096 4.024 4.120 -0.000 0.000 0.248 216 V C 2.425 178.402 176.094 -0.194 0.000 1.055 216 V CA 2.198 64.202 62.300 -0.493 0.000 1.049 216 V CB -0.746 30.980 31.823 -0.161 0.000 0.662 216 V HN 0.924 nan 8.190 nan 0.000 0.455 217 K N -0.729 119.588 120.400 -0.137 0.000 2.426 217 K HA -0.049 4.271 4.320 -0.000 0.000 0.193 217 K C 1.433 178.025 176.600 -0.014 0.000 1.028 217 K CA 0.392 56.660 56.287 -0.032 0.000 1.047 217 K CB 0.086 32.570 32.500 -0.027 0.000 0.821 217 K HN 0.395 nan 8.250 nan 0.000 0.513 218 D N -0.053 120.290 120.400 -0.095 0.000 2.216 218 D HA -0.038 4.602 4.640 -0.000 0.000 0.208 218 D C 1.440 177.799 176.300 0.098 0.000 0.960 218 D CA 0.622 54.602 54.000 -0.034 0.000 0.861 218 D CB 0.013 40.745 40.800 -0.114 0.000 0.985 218 D HN 0.156 nan 8.370 nan 0.000 0.493 219 F N 1.425 121.375 119.950 -0.000 0.000 2.025 219 F HA -0.280 4.247 4.527 -0.000 0.000 0.297 219 F C 2.659 178.554 175.800 0.158 0.000 1.132 219 F CA 1.174 59.178 58.000 0.008 0.000 1.191 219 F CB -0.602 38.407 39.000 0.014 0.000 0.963 219 F HN -0.054 nan 8.300 nan 0.000 0.481 220 T N -0.387 114.382 114.554 0.357 0.000 2.624 220 T HA -0.255 4.095 4.350 -0.000 0.000 0.268 220 T C 2.012 176.831 174.700 0.197 0.000 1.041 220 T CA 1.833 64.071 62.100 0.231 0.000 1.159 220 T CB -0.632 68.326 68.868 0.150 0.000 0.863 220 T HN 0.201 nan 8.240 nan 0.000 0.434 221 S N 1.093 116.891 115.700 0.163 0.000 2.372 221 S HA -0.044 4.425 4.470 -0.000 0.000 0.227 221 S C 1.410 176.138 174.600 0.213 0.000 1.044 221 S CA 0.851 59.138 58.200 0.145 0.000 1.050 221 S CB -0.527 62.735 63.200 0.103 0.000 0.901 221 S HN 0.306 nan 8.310 nan 0.000 0.447 222 L N -0.183 121.224 121.223 0.307 0.000 2.636 222 L HA 0.202 4.542 4.340 -0.000 0.000 0.163 222 L C 1.663 178.759 176.870 0.376 0.000 1.052 222 L CA 0.291 55.410 54.840 0.466 0.000 1.170 222 L CB -0.350 42.088 42.059 0.631 0.000 1.864 222 L HN 0.360 nan 8.230 nan 0.000 0.472 223 G N -1.149 107.789 108.800 0.231 0.000 3.949 223 G HA2 0.322 4.282 3.960 -0.000 0.000 0.295 223 G HA3 0.322 4.282 3.960 -0.000 0.000 0.295 223 G C -0.409 174.208 174.900 -0.472 0.000 1.286 223 G CA -0.229 44.774 45.100 -0.162 0.000 1.171 223 G HN 0.120 nan 8.290 nan 0.000 0.586 224 F N -0.105 119.826 119.950 -0.032 0.000 2.690 224 F HA 0.641 5.167 4.527 -0.000 0.000 0.332 224 F C 0.406 176.209 175.800 0.005 0.000 1.215 224 F CA -1.401 56.579 58.000 -0.034 0.000 1.086 224 F CB 1.038 40.013 39.000 -0.041 0.000 1.828 224 F HN 0.111 nan 8.300 nan 0.000 0.519 225 N N -0.690 118.157 118.700 0.246 0.000 2.718 225 N HA 0.054 4.794 4.740 -0.000 0.000 0.260 225 N C -0.237 175.348 175.510 0.125 0.000 1.089 225 N CA -0.210 52.918 53.050 0.129 0.000 1.021 225 N CB 1.037 39.547 38.487 0.038 0.000 1.618 225 N HN 0.616 nan 8.380 nan 0.000 0.554 226 E N 1.937 122.223 120.200 0.144 0.000 2.267 226 E HA -0.130 4.220 4.350 -0.000 0.000 0.197 226 E C 0.307 177.020 176.600 0.189 0.000 0.998 226 E CA 1.632 58.139 56.400 0.178 0.000 0.830 226 E CB 0.253 30.073 29.700 0.200 0.000 0.751 226 E HN 0.507 nan 8.360 nan 0.000 0.491 227 V N -0.881 119.128 119.914 0.157 0.000 3.379 227 V HA 0.057 4.177 4.120 -0.000 0.000 0.249 227 V C 1.509 178.031 176.094 0.712 0.000 1.184 227 V CA 0.570 63.054 62.300 0.307 0.000 1.106 227 V CB -0.118 31.756 31.823 0.086 0.000 0.826 227 V HN 0.265 nan 8.190 nan 0.000 0.465 228 F N 0.593 120.648 119.950 0.175 0.000 2.752 228 F HA 0.267 4.794 4.527 -0.000 0.000 0.310 228 F C 0.879 176.769 175.800 0.151 0.000 1.097 228 F CA 0.313 58.355 58.000 0.071 0.000 1.238 228 F CB 0.887 39.892 39.000 0.009 0.000 1.061 228 F HN 0.256 nan 8.300 nan 0.000 0.591 229 S N 0.781 116.795 115.700 0.524 0.000 2.413 229 S HA 0.361 4.831 4.470 -0.000 0.000 0.170 229 S C -0.800 174.048 174.600 0.413 0.000 1.294 229 S CA -0.794 57.728 58.200 0.537 0.000 1.201 229 S CB 0.417 63.816 63.200 0.331 0.000 1.328 229 S HN 0.100 nan 8.310 nan 0.000 0.418 230 R N 2.526 123.207 120.500 0.302 0.000 2.216 230 R HA 0.287 4.627 4.340 -0.000 0.000 0.332 230 R C -2.021 174.005 176.300 -0.457 0.000 1.056 230 R CA -2.031 53.587 56.100 -0.803 0.000 0.901 230 R CB 0.469 29.871 30.300 -1.497 0.000 1.039 230 R HN 0.297 nan 8.270 nan 0.000 0.456 231 P HA -0.322 nan 4.420 nan 0.000 0.226 231 P C 0.758 178.036 177.300 -0.037 0.000 1.154 231 P CA 1.618 64.553 63.100 -0.276 0.000 0.901 231 P CB 0.082 31.579 31.700 -0.339 0.000 0.788 232 E N -2.332 117.803 120.200 -0.109 0.000 2.501 232 E HA -0.198 4.152 4.350 -0.000 0.000 0.203 232 E C 0.998 177.552 176.600 -0.078 0.000 1.072 232 E CA 0.608 56.944 56.400 -0.107 0.000 0.885 232 E CB -0.773 28.816 29.700 -0.186 0.000 0.813 232 E HN 0.402 nan 8.360 nan 0.000 0.556 233 W N -0.058 121.255 121.300 0.022 0.000 2.871 233 W HA 0.335 4.995 4.660 -0.000 0.000 0.267 233 W C 1.736 178.345 176.519 0.150 0.000 1.180 233 W CA -0.411 56.982 57.345 0.080 0.000 1.463 233 W CB -0.238 29.286 29.460 0.107 0.000 0.966 233 W HN 0.085 nan 8.180 nan 0.000 0.605 234 M N 0.304 120.153 119.600 0.415 0.000 2.514 234 M HA -0.144 4.336 4.480 -0.000 0.000 0.259 234 M C 0.325 176.832 176.300 0.345 0.000 1.073 234 M CA 1.394 57.020 55.300 0.544 0.000 1.049 234 M CB -0.377 32.431 32.600 0.348 0.000 1.392 234 M HN -0.316 nan 8.290 nan 0.000 0.466 235 I N 0.947 121.636 120.570 0.198 0.000 2.404 235 I HA 0.255 4.425 4.170 -0.000 0.000 0.293 235 I C -0.453 175.723 176.117 0.098 0.000 0.992 235 I CA -0.792 60.578 61.300 0.116 0.000 1.149 235 I CB 1.734 39.739 38.000 0.008 0.000 1.315 235 I HN -0.014 nan 8.210 nan 0.000 0.446 236 L N 5.818 127.063 121.223 0.037 0.000 2.319 236 L HA 0.363 4.703 4.340 -0.000 0.000 0.280 236 L C 0.645 177.517 176.870 0.004 0.000 1.099 236 L CA -0.159 54.685 54.840 0.006 0.000 0.828 236 L CB 0.673 42.702 42.059 -0.050 0.000 1.150 236 L HN 0.654 nan 8.230 nan 0.000 0.442 237 T N 0.069 114.642 114.554 0.032 0.000 3.085 237 T HA 0.049 4.399 4.350 -0.000 0.000 0.241 237 T C 0.269 174.972 174.700 0.004 0.000 0.988 237 T CA 0.159 62.274 62.100 0.025 0.000 1.117 237 T CB 0.395 69.305 68.868 0.068 0.000 0.978 237 T HN 0.655 nan 8.240 nan 0.000 0.454 238 C N 1.896 121.204 119.300 0.014 0.000 2.561 238 C HA 0.822 5.282 4.460 -0.000 0.000 0.319 238 C C -1.378 173.586 174.990 -0.043 0.000 1.198 238 C CA -1.116 57.892 59.018 -0.017 0.000 1.665 238 C CB 0.488 28.256 27.740 0.045 0.000 2.258 238 C HN 0.398 nan 8.230 nan 0.000 0.493 239 L N 7.381 128.557 121.223 -0.078 0.000 2.298 239 L HA 0.556 4.896 4.340 -0.000 0.000 0.284 239 L C -2.003 174.829 176.870 -0.063 0.000 1.013 239 L CA -1.996 52.796 54.840 -0.081 0.000 0.824 239 L CB 1.647 43.646 42.059 -0.100 0.000 1.221 239 L HN 0.551 nan 8.230 nan 0.000 0.418 240 P HA 0.038 nan 4.420 nan 0.000 0.271 240 P C -0.764 176.528 177.300 -0.014 0.000 1.233 240 P CA -0.028 63.055 63.100 -0.028 0.000 0.764 240 P CB 0.884 32.453 31.700 -0.219 0.000 0.825 241 V N 7.124 126.983 119.914 -0.092 0.000 2.304 241 V HA 0.195 4.314 4.120 -0.000 0.000 0.269 241 V C -1.635 174.028 176.094 -0.719 0.000 1.036 241 V CA -2.027 60.108 62.300 -0.275 0.000 0.840 241 V CB 0.818 32.542 31.823 -0.166 0.000 1.036 241 V HN 0.537 nan 8.190 nan 0.000 0.466 242 P HA 0.165 nan 4.420 nan 0.000 0.266 242 P C -2.594 174.371 177.300 -0.558 0.000 1.195 242 P CA -0.894 61.600 63.100 -1.010 0.000 0.768 242 P CB 0.450 31.915 31.700 -0.392 0.000 0.838 243 P HA 0.220 nan 4.420 nan 0.000 0.280 243 P C -1.828 175.394 177.300 -0.130 0.000 1.272 243 P CA -1.974 61.003 63.100 -0.205 0.000 0.819 243 P CB -0.091 31.539 31.700 -0.116 0.000 1.122 244 P HA -0.217 nan 4.420 nan 0.000 0.218 244 P C -1.197 176.065 177.300 -0.063 0.000 1.132 244 P CA 3.012 66.073 63.100 -0.064 0.000 0.968 244 P CB -2.443 29.228 31.700 -0.048 0.000 0.783 245 P HA -0.133 nan 4.420 nan 0.000 0.218 245 P C 1.724 178.998 177.300 -0.043 0.000 1.147 245 P CA 1.276 64.346 63.100 -0.049 0.000 0.827 245 P CB -0.489 31.183 31.700 -0.046 0.000 0.778 246 V N -0.454 119.432 119.914 -0.048 0.000 2.535 246 V HA -0.087 4.033 4.120 -0.000 0.000 0.246 246 V C 1.494 177.563 176.094 -0.043 0.000 1.045 246 V CA 1.441 63.719 62.300 -0.037 0.000 1.058 246 V CB -0.938 30.862 31.823 -0.039 0.000 0.689 246 V HN 0.219 nan 8.190 nan 0.000 0.461 247 R N 1.349 121.817 120.500 -0.054 0.000 2.983 247 R HA 0.355 4.695 4.340 -0.000 0.000 0.300 247 R C -2.897 173.366 176.300 -0.063 0.000 1.367 247 R CA -1.586 54.482 56.100 -0.053 0.000 1.564 247 R CB 0.006 30.282 30.300 -0.040 0.000 1.314 247 R HN 0.252 nan 8.270 nan 0.000 0.622 248 P HA -0.083 nan 4.420 nan 0.000 0.269 248 P C -0.464 176.786 177.300 -0.083 0.000 1.211 248 P CA 0.236 63.292 63.100 -0.072 0.000 0.781 248 P CB 0.998 32.653 31.700 -0.075 0.000 0.877 249 S N 1.138 116.789 115.700 -0.082 0.000 2.532 249 S HA 0.383 4.853 4.470 -0.000 0.000 0.318 249 S C 0.353 174.880 174.600 -0.121 0.000 1.083 249 S CA -0.904 57.245 58.200 -0.085 0.000 1.131 249 S CB -0.538 62.631 63.200 -0.052 0.000 0.973 249 S HN 0.281 nan 8.310 nan 0.000 0.468 250 I N 3.988 124.458 120.570 -0.168 0.000 2.668 250 I HA 0.005 4.174 4.170 -0.000 0.000 0.309 250 I C 0.813 176.719 176.117 -0.352 0.000 1.195 250 I CA -0.102 61.025 61.300 -0.289 0.000 1.919 250 I CB -0.873 36.911 38.000 -0.359 0.000 1.551 250 I HN 0.723 nan 8.210 nan 0.000 0.908 251 S N 4.762 120.325 115.700 -0.229 0.000 2.429 251 S HA 0.231 4.701 4.470 -0.000 0.000 0.292 251 S C -0.186 174.320 174.600 -0.157 0.000 1.183 251 S CA -0.517 57.602 58.200 -0.135 0.000 1.088 251 S CB -0.275 62.888 63.200 -0.063 0.000 1.018 251 S HN 0.351 nan 8.310 nan 0.000 0.511 252 F N 4.918 124.863 119.950 -0.009 0.000 2.600 252 F HA 0.190 4.716 4.527 -0.000 0.000 0.345 252 F C 1.287 177.083 175.800 -0.006 0.000 1.271 252 F CA 0.121 58.117 58.000 -0.008 0.000 1.138 252 F CB -0.691 38.305 39.000 -0.006 0.000 1.449 252 F HN 0.744 nan 8.300 nan 0.000 0.645 253 N N 1.419 120.196 118.700 0.127 0.000 1.959 253 N HA -0.273 4.467 4.740 -0.000 0.000 0.183 253 N C -0.297 175.244 175.510 0.052 0.000 0.716 253 N CA 0.990 54.088 53.050 0.080 0.000 1.328 253 N CB -0.546 37.996 38.487 0.092 0.000 1.468 253 N HN 0.484 nan 8.380 nan 0.000 0.416 254 E N 0.672 120.903 120.200 0.052 0.000 2.331 254 E HA 0.420 4.770 4.350 -0.000 0.000 0.275 254 E C -0.312 176.311 176.600 0.038 0.000 0.895 254 E CA 0.278 56.699 56.400 0.035 0.000 0.753 254 E CB 1.999 31.712 29.700 0.021 0.000 1.216 254 E HN 0.663 nan 8.360 nan 0.000 0.434 255 S N 0.751 116.470 115.700 0.032 0.000 3.380 255 S HA -0.287 4.183 4.470 -0.000 0.000 0.300 255 S C 0.060 174.687 174.600 0.045 0.000 1.255 255 S CA 1.107 59.326 58.200 0.031 0.000 0.963 255 S CB -1.607 61.606 63.200 0.022 0.000 1.106 255 S HN 0.595 nan 8.310 nan 0.000 0.629 256 Q N 0.431 120.270 119.800 0.066 0.000 2.377 256 Q HA 0.557 4.897 4.340 -0.000 0.000 0.271 256 Q C 0.372 176.444 176.000 0.120 0.000 1.077 256 Q CA -1.169 54.693 55.803 0.098 0.000 0.820 256 Q CB 1.523 30.341 28.738 0.135 0.000 1.347 256 Q HN 0.442 nan 8.270 nan 0.000 0.444 257 R N -0.356 120.225 120.500 0.135 0.000 3.073 257 R HA 0.255 4.595 4.340 -0.000 0.000 0.290 257 R C 0.770 177.161 176.300 0.152 0.000 1.130 257 R CA 0.869 57.053 56.100 0.140 0.000 1.186 257 R CB 0.050 30.441 30.300 0.151 0.000 1.166 257 R HN 0.908 nan 8.270 nan 0.000 0.563 258 G N -1.257 107.601 108.800 0.097 0.000 4.371 258 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.160 258 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.160 258 G C -0.958 173.912 174.900 -0.048 0.000 1.271 258 G CA -0.657 44.449 45.100 0.009 0.000 0.982 258 G HN 0.425 nan 8.290 nan 0.000 0.318 259 E N 2.456 122.641 120.200 -0.025 0.000 1.528 259 E HA -0.152 4.198 4.350 -0.000 0.000 0.362 259 E C 0.037 176.487 176.600 -0.250 0.000 0.620 259 E CA 0.699 57.068 56.400 -0.053 0.000 1.358 259 E CB -0.069 29.712 29.700 0.134 0.000 0.392 259 E HN 0.575 nan 8.360 nan 0.000 0.391 260 D N 2.200 122.484 120.400 -0.193 0.000 2.419 260 D HA -0.107 4.533 4.640 -0.000 0.000 0.236 260 D C 0.960 177.056 176.300 -0.341 0.000 1.165 260 D CA -0.183 53.681 54.000 -0.227 0.000 0.882 260 D CB 0.693 41.419 40.800 -0.123 0.000 1.201 260 D HN 0.273 nan 8.370 nan 0.000 0.443 261 D N 2.020 122.242 120.400 -0.295 0.000 2.158 261 D HA -0.165 4.475 4.640 -0.000 0.000 0.197 261 D C 1.977 178.229 176.300 -0.080 0.000 0.995 261 D CA 0.733 54.584 54.000 -0.248 0.000 0.846 261 D CB -0.043 40.684 40.800 -0.122 0.000 0.941 261 D HN 0.412 nan 8.370 nan 0.000 0.456 262 L N 0.030 121.230 121.223 -0.038 0.000 1.976 262 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 262 L C 2.355 179.265 176.870 0.066 0.000 1.071 262 L CA 1.604 56.477 54.840 0.055 0.000 0.746 262 L CB -0.625 41.468 42.059 0.057 0.000 0.890 262 L HN 0.069 nan 8.230 nan 0.000 0.432 263 T N -0.217 114.355 114.554 0.030 0.000 2.751 263 T HA -0.281 4.069 4.350 -0.000 0.000 0.268 263 T C 1.572 176.393 174.700 0.202 0.000 1.045 263 T CA 1.781 63.924 62.100 0.071 0.000 1.142 263 T CB -0.504 68.403 68.868 0.065 0.000 0.851 263 T HN 0.259 nan 8.240 nan 0.000 0.474 264 F N 1.026 120.952 119.950 -0.039 0.000 2.060 264 F HA -0.052 4.475 4.527 -0.000 0.000 0.295 264 F C 2.615 178.361 175.800 -0.091 0.000 1.120 264 F CA 0.893 58.864 58.000 -0.049 0.000 1.205 264 F CB -0.155 38.830 39.000 -0.025 0.000 0.986 264 F HN 0.028 nan 8.300 nan 0.000 0.470 265 K N 1.026 121.508 120.400 0.138 0.000 2.286 265 K HA -0.187 4.133 4.320 -0.000 0.000 0.203 265 K C 1.597 178.096 176.600 -0.169 0.000 1.045 265 K CA 1.180 57.456 56.287 -0.017 0.000 0.935 265 K CB -0.280 32.278 32.500 0.095 0.000 0.737 265 K HN 0.305 nan 8.250 nan 0.000 0.460 266 L N -0.859 120.269 121.223 -0.160 0.000 2.145 266 L HA 0.080 4.420 4.340 -0.000 0.000 0.201 266 L C 2.474 179.243 176.870 -0.168 0.000 1.075 266 L CA 0.776 55.456 54.840 -0.268 0.000 0.773 266 L CB -0.647 41.259 42.059 -0.256 0.000 0.936 266 L HN 0.217 nan 8.230 nan 0.000 0.451 267 A N 0.019 122.782 122.820 -0.096 0.000 1.986 267 A HA -0.253 4.067 4.320 -0.000 0.000 0.220 267 A C 1.897 179.417 177.584 -0.107 0.000 1.171 267 A CA 2.048 54.036 52.037 -0.082 0.000 0.640 267 A CB -0.491 18.464 19.000 -0.075 0.000 0.811 267 A HN 0.368 nan 8.150 nan 0.000 0.451 268 D N -0.063 120.239 120.400 -0.164 0.000 2.075 268 D HA -0.093 4.547 4.640 -0.000 0.000 0.196 268 D C 1.976 178.220 176.300 -0.093 0.000 0.985 268 D CA 1.208 55.080 54.000 -0.214 0.000 0.834 268 D CB -0.394 40.061 40.800 -0.576 0.000 0.987 268 D HN 0.465 nan 8.370 nan 0.000 0.452 269 I N 0.852 121.327 120.570 -0.158 0.000 2.113 269 I HA -0.311 3.859 4.170 -0.000 0.000 0.242 269 I C 2.466 178.596 176.117 0.021 0.000 1.057 269 I CA 0.784 62.102 61.300 0.030 0.000 1.314 269 I CB -0.266 37.663 38.000 -0.117 0.000 1.022 269 I HN 0.073 nan 8.210 nan 0.000 0.408 270 L N 1.135 122.328 121.223 -0.051 0.000 1.970 270 L HA -0.249 4.090 4.340 -0.000 0.000 0.212 270 L C 2.454 179.314 176.870 -0.018 0.000 1.071 270 L CA 1.976 56.790 54.840 -0.044 0.000 0.751 270 L CB -0.861 41.164 42.059 -0.056 0.000 0.889 270 L HN 0.127 nan 8.230 nan 0.000 0.432 271 K N -0.255 120.139 120.400 -0.010 0.000 2.034 271 K HA -0.198 4.122 4.320 -0.000 0.000 0.214 271 K C 1.960 178.570 176.600 0.017 0.000 1.051 271 K CA 1.791 58.075 56.287 -0.004 0.000 0.931 271 K CB -0.703 31.797 32.500 0.001 0.000 0.715 271 K HN 0.493 nan 8.250 nan 0.000 0.446 272 A N 1.210 124.072 122.820 0.069 0.000 2.186 272 A HA -0.202 4.117 4.320 -0.000 0.000 0.219 272 A C 1.790 179.390 177.584 0.026 0.000 1.159 272 A CA 1.833 53.908 52.037 0.063 0.000 0.680 272 A CB -0.636 18.444 19.000 0.133 0.000 0.787 272 A HN 0.400 nan 8.150 nan 0.000 0.467 273 N N -0.129 118.579 118.700 0.014 0.000 2.322 273 N HA 0.030 4.770 4.740 -0.000 0.000 0.186 273 N C 1.483 176.983 175.510 -0.017 0.000 1.037 273 N CA 1.124 54.169 53.050 -0.008 0.000 0.869 273 N CB -0.277 38.196 38.487 -0.023 0.000 1.036 273 N HN 0.353 nan 8.380 nan 0.000 0.439 274 I N 0.746 121.301 120.570 -0.026 0.000 2.194 274 I HA -0.326 3.843 4.170 -0.000 0.000 0.246 274 I C 2.438 178.539 176.117 -0.026 0.000 1.093 274 I CA 1.478 62.757 61.300 -0.035 0.000 1.355 274 I CB -0.722 37.245 38.000 -0.056 0.000 1.046 274 I HN 0.342 nan 8.210 nan 0.000 0.413 275 S N 1.578 117.265 115.700 -0.022 0.000 2.359 275 S HA -0.267 4.203 4.470 -0.000 0.000 0.223 275 S C 2.054 176.642 174.600 -0.020 0.000 1.039 275 S CA 1.623 59.810 58.200 -0.022 0.000 1.042 275 S CB -0.818 62.371 63.200 -0.018 0.000 0.915 275 S HN 0.366 nan 8.310 nan 0.000 0.439 276 L N 1.973 123.186 121.223 -0.017 0.000 1.943 276 L HA -0.085 4.255 4.340 -0.000 0.000 0.215 276 L C 2.809 179.669 176.870 -0.017 0.000 1.074 276 L CA 2.674 57.504 54.840 -0.018 0.000 0.759 276 L CB -1.018 41.032 42.059 -0.016 0.000 0.888 276 L HN 0.579 nan 8.230 nan 0.000 0.433 277 E N -1.377 118.820 120.200 -0.005 0.000 2.147 277 E HA -0.273 4.077 4.350 -0.000 0.000 0.199 277 E C 1.626 178.256 176.600 0.049 0.000 1.005 277 E CA 1.909 58.324 56.400 0.024 0.000 0.810 277 E CB -0.126 29.608 29.700 0.058 0.000 0.736 277 E HN 0.577 nan 8.360 nan 0.000 0.460 278 T N 0.773 115.340 114.554 0.022 0.000 3.160 278 T HA 0.054 4.404 4.350 -0.000 0.000 0.257 278 T C 1.457 176.154 174.700 -0.004 0.000 1.147 278 T CA 0.244 62.354 62.100 0.016 0.000 1.064 278 T CB 0.085 68.945 68.868 -0.013 0.000 0.949 278 T HN 0.180 nan 8.240 nan 0.000 0.526 279 L N -0.256 120.955 121.223 -0.020 0.000 2.513 279 L HA 0.234 4.574 4.340 -0.000 0.000 0.222 279 L C 2.217 179.043 176.870 -0.073 0.000 1.096 279 L CA 0.657 55.469 54.840 -0.046 0.000 0.857 279 L CB 0.039 42.070 42.059 -0.047 0.000 1.026 279 L HN 0.268 nan 8.230 nan 0.000 0.469 280 E N -0.961 119.200 120.200 -0.065 0.000 2.075 280 E HA -0.039 4.311 4.350 -0.000 0.000 0.193 280 E C 1.505 178.047 176.600 -0.096 0.000 0.950 280 E CA 0.026 56.357 56.400 -0.116 0.000 0.859 280 E CB 0.136 29.742 29.700 -0.155 0.000 0.846 280 E HN 0.348 nan 8.360 nan 0.000 0.467 281 H N 0.790 119.830 119.070 -0.049 0.000 2.566 281 H HA 0.044 4.600 4.556 -0.000 0.000 0.285 281 H C 0.112 175.411 175.328 -0.049 0.000 1.041 281 H CA 0.696 56.719 56.048 -0.042 0.000 1.207 281 H CB -0.040 29.700 29.762 -0.037 0.000 1.353 281 H HN 0.107 nan 8.280 nan 0.000 0.604 282 N N -1.534 117.186 118.700 0.032 0.000 3.418 282 N HA 0.091 4.831 4.740 -0.000 0.000 0.316 282 N C 0.228 175.703 175.510 -0.057 0.000 1.601 282 N CA -0.396 52.650 53.050 -0.007 0.000 0.805 282 N CB -0.112 38.372 38.487 -0.005 0.000 1.873 282 N HN 0.017 nan 8.380 nan 0.000 0.615 283 G N 0.313 109.079 108.800 -0.056 0.000 2.388 283 G HA2 0.232 4.192 3.960 -0.000 0.000 0.289 283 G HA3 0.232 4.192 3.960 -0.000 0.000 0.289 283 G C 0.038 174.867 174.900 -0.118 0.000 0.791 283 G CA 0.310 45.363 45.100 -0.078 0.000 1.619 283 G HN 0.594 nan 8.290 nan 0.000 0.375 284 A N 5.406 128.108 122.820 -0.196 0.000 2.650 284 A HA 0.564 4.883 4.320 -0.000 0.000 0.320 284 A C -0.984 176.379 177.584 -0.369 0.000 1.466 284 A CA -1.467 50.389 52.037 -0.303 0.000 1.099 284 A CB 0.672 19.405 19.000 -0.444 0.000 1.136 284 A HN 0.479 nan 8.150 nan 0.000 0.532 285 P HA -0.036 nan 4.420 nan 0.000 0.261 285 P C 0.654 177.912 177.300 -0.069 0.000 1.650 285 P CA 0.085 63.120 63.100 -0.108 0.000 0.846 285 P CB -0.417 31.252 31.700 -0.051 0.000 1.758 286 H N 1.185 120.189 119.070 -0.110 0.000 1.452 286 H HA -0.250 4.306 4.556 -0.000 0.000 0.090 286 H C 0.854 176.084 175.328 -0.165 0.000 1.093 286 H CA 1.954 57.876 56.048 -0.211 0.000 1.901 286 H CB -1.784 27.758 29.762 -0.367 0.000 2.257 286 H HN 0.467 nan 8.280 nan 0.000 0.961 287 H N 1.402 120.567 119.070 0.158 0.000 3.269 287 H HA 0.283 4.838 4.556 -0.000 0.000 0.285 287 H C 1.219 176.573 175.328 0.044 0.000 1.108 287 H CA 0.820 56.912 56.048 0.073 0.000 1.219 287 H CB -0.586 29.205 29.762 0.049 0.000 1.295 287 H HN 0.469 nan 8.280 nan 0.000 0.673 288 A N -0.495 122.387 122.820 0.104 0.000 2.312 288 A HA 0.190 4.510 4.320 -0.000 0.000 0.215 288 A C 2.089 179.691 177.584 0.031 0.000 1.256 288 A CA -0.247 51.822 52.037 0.054 0.000 0.966 288 A CB 0.379 19.393 19.000 0.024 0.000 1.053 288 A HN 0.260 nan 8.150 nan 0.000 0.510 289 I N 0.824 121.413 120.570 0.031 0.000 2.206 289 I HA -0.205 3.965 4.170 -0.000 0.000 0.239 289 I C 2.557 178.694 176.117 0.033 0.000 1.078 289 I CA 1.559 62.867 61.300 0.012 0.000 1.367 289 I CB -0.394 37.603 38.000 -0.005 0.000 1.078 289 I HN 0.586 nan 8.210 nan 0.000 0.413 290 E N 1.495 121.739 120.200 0.073 0.000 2.197 290 E HA -0.340 4.010 4.350 -0.000 0.000 0.205 290 E C 1.630 178.257 176.600 0.045 0.000 1.029 290 E CA 2.006 58.450 56.400 0.074 0.000 0.828 290 E CB -0.682 29.092 29.700 0.122 0.000 0.737 290 E HN 0.586 nan 8.360 nan 0.000 0.464 291 E N 0.561 120.785 120.200 0.041 0.000 2.265 291 E HA -0.090 4.260 4.350 -0.000 0.000 0.196 291 E C 1.670 178.269 176.600 -0.002 0.000 0.996 291 E CA 0.973 57.384 56.400 0.019 0.000 0.832 291 E CB -0.019 29.692 29.700 0.019 0.000 0.756 291 E HN 0.493 nan 8.360 nan 0.000 0.491 292 A N 0.452 123.270 122.820 -0.003 0.000 2.390 292 A HA 0.049 4.369 4.320 -0.000 0.000 0.232 292 A C 1.679 179.254 177.584 -0.016 0.000 1.233 292 A CA -0.170 51.855 52.037 -0.020 0.000 0.907 292 A CB 0.182 19.169 19.000 -0.021 0.000 0.967 292 A HN 0.123 nan 8.150 nan 0.000 0.512 293 E N 0.568 120.767 120.200 -0.002 0.000 2.038 293 E HA -0.111 4.239 4.350 -0.000 0.000 0.190 293 E C 2.050 178.655 176.600 0.007 0.000 0.967 293 E CA 1.081 57.482 56.400 0.001 0.000 0.816 293 E CB -0.028 29.678 29.700 0.009 0.000 0.784 293 E HN 0.579 nan 8.360 nan 0.000 0.456 294 S N 1.364 117.076 115.700 0.021 0.000 2.461 294 S HA -0.221 4.249 4.470 -0.000 0.000 0.246 294 S C 2.005 176.635 174.600 0.049 0.000 1.007 294 S CA 1.231 59.460 58.200 0.047 0.000 0.976 294 S CB -0.515 62.719 63.200 0.056 0.000 0.763 294 S HN 0.381 nan 8.310 nan 0.000 0.508 295 L N 0.434 121.650 121.223 -0.012 0.000 2.093 295 L HA 0.214 4.554 4.340 -0.000 0.000 0.208 295 L C 2.115 178.943 176.870 -0.070 0.000 1.085 295 L CA 1.458 56.244 54.840 -0.090 0.000 0.755 295 L CB -0.751 41.229 42.059 -0.133 0.000 0.904 295 L HN 0.359 nan 8.230 nan 0.000 0.435 296 L N -0.360 120.858 121.223 -0.009 0.000 2.131 296 L HA -0.093 4.247 4.340 -0.000 0.000 0.206 296 L C 2.519 179.439 176.870 0.084 0.000 1.087 296 L CA 1.845 56.709 54.840 0.041 0.000 0.767 296 L CB -0.796 41.278 42.059 0.024 0.000 0.917 296 L HN 0.535 nan 8.230 nan 0.000 0.441 297 Q N -0.936 118.910 119.800 0.078 0.000 2.170 297 Q HA -0.259 4.081 4.340 -0.000 0.000 0.203 297 Q C 1.967 178.053 176.000 0.142 0.000 0.976 297 Q CA 2.131 57.991 55.803 0.095 0.000 0.858 297 Q CB -0.594 28.202 28.738 0.097 0.000 0.907 297 Q HN 0.558 nan 8.270 nan 0.000 0.433 298 F N -0.163 119.793 119.950 0.010 0.000 2.022 298 F HA -0.141 4.386 4.527 -0.000 0.000 0.293 298 F C 2.007 177.876 175.800 0.115 0.000 1.142 298 F CA 2.256 60.271 58.000 0.025 0.000 1.177 298 F CB -0.734 38.223 39.000 -0.071 0.000 0.982 298 F HN 0.224 nan 8.300 nan 0.000 0.473 299 H N -0.556 118.670 119.070 0.259 0.000 2.296 299 H HA -0.231 4.325 4.556 -0.000 0.000 0.291 299 H C 2.105 177.448 175.328 0.025 0.000 1.074 299 H CA 1.878 57.999 56.048 0.122 0.000 1.176 299 H CB -0.752 29.110 29.762 0.168 0.000 1.357 299 H HN 0.162 nan 8.280 nan 0.000 0.520 300 V N 0.705 120.736 119.914 0.196 0.000 3.099 300 V HA -0.274 3.846 4.120 -0.000 0.000 0.269 300 V C 2.033 178.208 176.094 0.136 0.000 1.150 300 V CA 1.359 63.743 62.300 0.140 0.000 1.165 300 V CB -0.982 30.884 31.823 0.073 0.000 0.756 300 V HN 0.546 nan 8.190 nan 0.000 0.527 301 A N -1.054 121.799 122.820 0.054 0.000 1.963 301 A HA -0.019 4.301 4.320 -0.000 0.000 0.207 301 A C 2.292 179.835 177.584 -0.067 0.000 1.243 301 A CA 1.213 53.251 52.037 0.001 0.000 0.728 301 A CB -0.389 18.592 19.000 -0.032 0.000 0.895 301 A HN 0.365 nan 8.150 nan 0.000 0.467 302 T N -1.592 112.838 114.554 -0.208 0.000 2.951 302 T HA -0.128 4.221 4.350 -0.000 0.000 0.268 302 T C 1.692 176.381 174.700 -0.019 0.000 1.073 302 T CA 1.567 63.533 62.100 -0.223 0.000 1.134 302 T CB -0.475 68.077 68.868 -0.526 0.000 0.884 302 T HN 0.504 nan 8.240 nan 0.000 0.479 303 Y N 1.264 121.519 120.300 -0.074 0.000 2.256 303 Y HA -0.074 4.476 4.550 -0.000 0.000 0.288 303 Y C 1.893 177.783 175.900 -0.016 0.000 1.155 303 Y CA 1.555 59.633 58.100 -0.037 0.000 1.203 303 Y CB -0.356 38.085 38.460 -0.032 0.000 0.980 303 Y HN 0.268 nan 8.280 nan 0.000 0.530 304 M N -1.077 118.432 119.600 -0.152 0.000 2.447 304 M HA 0.059 4.539 4.480 -0.000 0.000 0.266 304 M C -0.215 176.051 176.300 -0.057 0.000 1.120 304 M CA 0.828 56.008 55.300 -0.200 0.000 1.166 304 M CB 0.438 33.005 32.600 -0.055 0.000 1.349 304 M HN 0.047 nan 8.290 nan 0.000 0.463 305 D N -0.365 120.017 120.400 -0.030 0.000 2.970 305 D HA 0.162 4.801 4.640 -0.000 0.000 0.230 305 D C -1.060 175.212 176.300 -0.046 0.000 1.276 305 D CA -0.051 53.938 54.000 -0.018 0.000 0.910 305 D CB 1.358 42.171 40.800 0.022 0.000 1.590 305 D HN -0.103 nan 8.370 nan 0.000 0.551 306 N N 2.136 120.819 118.700 -0.029 0.000 2.184 306 N HA 0.032 4.772 4.740 -0.000 0.000 0.206 306 N C -1.026 174.486 175.510 0.003 0.000 1.151 306 N CA 0.075 53.112 53.050 -0.021 0.000 0.878 306 N CB 0.678 39.169 38.487 0.007 0.000 1.014 306 N HN 0.396 nan 8.380 nan 0.000 0.512 307 D N 1.389 121.789 120.400 -0.000 0.000 2.514 307 D HA 0.273 4.913 4.640 -0.000 0.000 0.267 307 D C 0.654 176.959 176.300 0.008 0.000 1.165 307 D CA -0.149 53.855 54.000 0.007 0.000 0.958 307 D CB 0.863 41.662 40.800 -0.002 0.000 0.992 307 D HN 0.260 nan 8.370 nan 0.000 0.506 308 I N -0.761 119.819 120.570 0.016 0.000 3.709 308 I HA 0.514 4.684 4.170 -0.000 0.000 0.274 308 I C 1.621 177.753 176.117 0.026 0.000 1.240 308 I CA -1.146 60.165 61.300 0.017 0.000 1.076 308 I CB 0.773 38.782 38.000 0.016 0.000 1.389 308 I HN 0.065 nan 8.210 nan 0.000 0.529 309 A N 0.619 123.455 122.820 0.028 0.000 1.887 309 A HA 0.162 4.481 4.320 -0.000 0.000 0.212 309 A C 1.711 179.321 177.584 0.042 0.000 1.198 309 A CA 1.042 53.097 52.037 0.030 0.000 0.628 309 A CB -1.121 17.894 19.000 0.024 0.000 0.847 309 A HN 0.847 nan 8.150 nan 0.000 0.449 310 G N 0.054 108.887 108.800 0.055 0.000 3.353 310 G HA2 0.318 4.278 3.960 -0.000 0.000 0.247 310 G HA3 0.318 4.278 3.960 -0.000 0.000 0.247 310 G C 0.600 175.556 174.900 0.094 0.000 1.025 310 G CA 0.329 45.473 45.100 0.073 0.000 1.863 310 G HN 0.616 nan 8.290 nan 0.000 0.635 311 Q N 0.403 120.248 119.800 0.074 0.000 2.612 311 Q HA -0.269 4.071 4.340 -0.000 0.000 0.249 311 Q C -1.050 175.020 176.000 0.117 0.000 1.066 311 Q CA 1.898 57.748 55.803 0.079 0.000 1.013 311 Q CB -2.101 26.672 28.738 0.060 0.000 0.934 311 Q HN 0.391 nan 8.270 nan 0.000 0.590 312 P HA -0.205 nan 4.420 nan 0.000 0.021 312 P C -0.707 176.734 177.300 0.235 0.000 0.493 312 P CA 1.052 64.246 63.100 0.158 0.000 1.034 312 P CB -0.548 31.251 31.700 0.165 0.000 1.880 313 Q N 1.343 121.239 119.800 0.161 0.000 2.285 313 Q HA 0.045 4.385 4.340 -0.000 0.000 0.191 313 Q C 1.036 177.159 176.000 0.205 0.000 0.860 313 Q CA 0.603 56.499 55.803 0.155 0.000 1.015 313 Q CB -0.374 28.422 28.738 0.096 0.000 1.118 313 Q HN 0.544 nan 8.270 nan 0.000 0.455 314 A N 0.942 123.974 122.820 0.353 0.000 2.089 314 A HA -0.202 4.118 4.320 -0.000 0.000 0.265 314 A C 0.244 177.961 177.584 0.221 0.000 1.315 314 A CA 0.331 52.605 52.037 0.395 0.000 0.768 314 A CB -1.736 17.598 19.000 0.556 0.000 1.112 314 A HN 0.567 nan 8.150 nan 0.000 0.336 315 L N 1.153 122.467 121.223 0.151 0.000 2.638 315 L HA 0.003 4.343 4.340 -0.000 0.000 0.273 315 L C 1.375 178.311 176.870 0.111 0.000 1.147 315 L CA 0.025 54.931 54.840 0.110 0.000 0.941 315 L CB 0.261 42.367 42.059 0.078 0.000 1.251 315 L HN 0.638 nan 8.230 nan 0.000 0.479 316 Q N 5.853 125.723 119.800 0.116 0.000 2.465 316 Q HA -0.017 4.323 4.340 -0.000 0.000 0.237 316 Q C -0.216 175.850 176.000 0.110 0.000 1.288 316 Q CA 0.164 56.046 55.803 0.131 0.000 0.888 316 Q CB -0.027 28.799 28.738 0.146 0.000 1.570 316 Q HN 0.412 nan 8.270 nan 0.000 0.532 317 K N 1.793 122.247 120.400 0.090 0.000 2.371 317 K HA -0.291 4.029 4.320 -0.000 0.000 0.242 317 K C 0.433 177.074 176.600 0.068 0.000 1.060 317 K CA 1.343 57.671 56.287 0.068 0.000 1.136 317 K CB -0.300 32.232 32.500 0.054 0.000 0.721 317 K HN 0.980 nan 8.250 nan 0.000 0.481 318 S N -0.260 115.471 115.700 0.052 0.000 1.815 318 S HA -0.088 4.382 4.470 -0.000 0.000 0.240 318 S C 0.983 175.606 174.600 0.040 0.000 1.262 318 S CA 0.523 58.750 58.200 0.044 0.000 1.069 318 S CB -1.628 61.603 63.200 0.050 0.000 1.331 318 S HN 1.560 nan 8.310 nan 0.000 0.597 319 G N 2.157 110.984 108.800 0.046 0.000 2.279 319 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.223 319 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.223 319 G C 0.037 174.966 174.900 0.047 0.000 1.015 319 G CA 0.688 45.813 45.100 0.043 0.000 0.621 319 G HN 1.174 nan 8.290 nan 0.000 0.506 320 R N 1.881 122.410 120.500 0.048 0.000 2.587 320 R HA 0.146 4.486 4.340 -0.000 0.000 0.268 320 R C -1.295 175.039 176.300 0.057 0.000 0.978 320 R CA 0.416 56.543 56.100 0.046 0.000 1.097 320 R CB 0.546 30.873 30.300 0.046 0.000 0.917 320 R HN 0.192 nan 8.270 nan 0.000 0.414 321 P HA 0.011 nan 4.420 nan 0.000 0.221 321 P C -0.626 176.716 177.300 0.069 0.000 1.155 321 P CA 0.282 63.418 63.100 0.060 0.000 0.812 321 P CB 0.314 32.039 31.700 0.043 0.000 0.801 322 V N -0.793 119.153 119.914 0.053 0.000 3.283 322 V HA -0.142 3.978 4.120 -0.000 0.000 0.461 322 V C -0.718 175.396 176.094 0.033 0.000 0.682 322 V CA -0.319 62.012 62.300 0.052 0.000 1.989 322 V CB -1.164 30.713 31.823 0.089 0.000 2.451 322 V HN 0.161 nan 8.190 nan 0.000 0.496 323 K N 5.292 125.698 120.400 0.011 0.000 2.319 323 K HA 0.308 4.628 4.320 -0.000 0.000 0.277 323 K C 0.731 177.326 176.600 -0.009 0.000 1.111 323 K CA 1.032 57.316 56.287 -0.004 0.000 1.093 323 K CB 0.261 32.750 32.500 -0.018 0.000 0.910 323 K HN 0.938 nan 8.250 nan 0.000 0.452 324 S N 2.221 117.913 115.700 -0.014 0.000 2.584 324 S HA 0.139 4.609 4.470 -0.000 0.000 0.270 324 S C 1.537 176.093 174.600 -0.074 0.000 1.346 324 S CA -0.747 57.430 58.200 -0.038 0.000 1.018 324 S CB 0.547 63.725 63.200 -0.037 0.000 0.899 324 S HN 0.483 nan 8.310 nan 0.000 0.542 325 I N 1.513 121.998 120.570 -0.141 0.000 2.118 325 I HA -0.312 3.858 4.170 -0.000 0.000 0.241 325 I C 2.949 179.005 176.117 -0.102 0.000 1.070 325 I CA 2.244 63.457 61.300 -0.145 0.000 1.327 325 I CB -0.570 37.288 38.000 -0.238 0.000 1.034 325 I HN 0.865 nan 8.210 nan 0.000 0.405 326 R N 2.075 122.522 120.500 -0.088 0.000 2.140 326 R HA -0.246 4.094 4.340 -0.000 0.000 0.250 326 R C 2.201 178.448 176.300 -0.089 0.000 1.150 326 R CA 2.113 58.157 56.100 -0.094 0.000 0.966 326 R CB -0.779 29.487 30.300 -0.057 0.000 0.869 326 R HN 0.326 nan 8.270 nan 0.000 0.445 327 A N 1.022 123.803 122.820 -0.066 0.000 2.019 327 A HA -0.082 4.238 4.320 -0.000 0.000 0.219 327 A C 2.145 179.696 177.584 -0.055 0.000 1.164 327 A CA 1.365 53.369 52.037 -0.055 0.000 0.644 327 A CB -0.454 18.523 19.000 -0.039 0.000 0.805 327 A HN 0.454 nan 8.150 nan 0.000 0.449 328 R N -0.723 119.741 120.500 -0.060 0.000 2.148 328 R HA -0.006 4.334 4.340 -0.000 0.000 0.227 328 R C 1.492 177.759 176.300 -0.055 0.000 1.103 328 R CA 1.307 57.376 56.100 -0.053 0.000 0.983 328 R CB -0.296 29.973 30.300 -0.052 0.000 0.874 328 R HN 0.560 nan 8.270 nan 0.000 0.451 329 L N -0.231 120.949 121.223 -0.072 0.000 2.470 329 L HA 0.141 4.481 4.340 -0.000 0.000 0.219 329 L C 0.808 177.631 176.870 -0.078 0.000 1.071 329 L CA -0.170 54.625 54.840 -0.076 0.000 0.850 329 L CB -0.157 41.840 42.059 -0.104 0.000 1.040 329 L HN -0.061 nan 8.230 nan 0.000 0.475 330 K N 1.925 122.275 120.400 -0.085 0.000 2.604 330 K HA -0.059 4.261 4.320 -0.000 0.000 0.278 330 K C 0.641 177.204 176.600 -0.061 0.000 0.975 330 K CA 0.373 56.611 56.287 -0.081 0.000 1.066 330 K CB 0.236 32.694 32.500 -0.071 0.000 0.840 330 K HN 0.200 nan 8.250 nan 0.000 0.491 331 G N 3.318 112.081 108.800 -0.061 0.000 2.115 331 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.244 331 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.244 331 G C -0.466 174.423 174.900 -0.019 0.000 1.105 331 G CA 0.613 45.692 45.100 -0.035 0.000 0.893 331 G HN 0.830 nan 8.290 nan 0.000 0.443 332 K N 2.345 122.745 120.400 -0.001 0.000 7.314 332 K HA -0.240 4.080 4.320 -0.000 0.000 0.694 332 K C 0.820 177.414 176.600 -0.010 0.000 2.568 332 K CA 1.324 57.612 56.287 0.002 0.000 1.889 332 K CB -0.186 32.317 32.500 0.005 0.000 2.060 332 K HN 0.861 nan 8.250 nan 0.000 0.284 333 E N -1.368 118.826 120.200 -0.008 0.000 4.520 333 E HA -0.168 4.181 4.350 -0.000 0.000 0.303 333 E C 0.632 177.220 176.600 -0.019 0.000 0.697 333 E CA 1.980 58.372 56.400 -0.013 0.000 1.710 333 E CB -2.062 27.628 29.700 -0.017 0.000 1.812 333 E HN 0.994 nan 8.360 nan 0.000 0.436 334 G N 0.530 109.317 108.800 -0.022 0.000 2.483 334 G HA2 0.250 4.210 3.960 -0.000 0.000 0.248 334 G HA3 0.250 4.210 3.960 -0.000 0.000 0.248 334 G C 0.806 175.691 174.900 -0.024 0.000 1.248 334 G CA 0.381 45.463 45.100 -0.030 0.000 0.838 334 G HN 0.104 nan 8.290 nan 0.000 0.566 335 R N 0.735 121.218 120.500 -0.027 0.000 2.178 335 R HA -0.209 4.131 4.340 -0.000 0.000 0.257 335 R C 2.211 178.502 176.300 -0.016 0.000 1.163 335 R CA 1.639 57.726 56.100 -0.021 0.000 0.981 335 R CB -0.177 30.110 30.300 -0.022 0.000 0.878 335 R HN 0.587 nan 8.270 nan 0.000 0.454 336 I N -0.508 120.051 120.570 -0.019 0.000 2.244 336 I HA -0.145 4.025 4.170 -0.000 0.000 0.231 336 I C 2.387 178.503 176.117 -0.002 0.000 1.065 336 I CA 1.246 62.539 61.300 -0.010 0.000 1.358 336 I CB -1.325 36.665 38.000 -0.017 0.000 1.130 336 I HN 0.241 nan 8.210 nan 0.000 0.411 337 R N 0.610 121.112 120.500 0.002 0.000 2.096 337 R HA -0.118 4.221 4.340 -0.000 0.000 0.235 337 R C 1.954 178.259 176.300 0.007 0.000 1.127 337 R CA 1.638 57.747 56.100 0.014 0.000 0.968 337 R CB -0.327 29.988 30.300 0.025 0.000 0.861 337 R HN 0.494 nan 8.270 nan 0.000 0.440 338 G N -1.254 107.545 108.800 -0.001 0.000 3.088 338 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.217 338 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.217 338 G C 0.793 175.690 174.900 -0.006 0.000 1.159 338 G CA -0.173 44.925 45.100 -0.003 0.000 0.760 338 G HN 0.258 nan 8.290 nan 0.000 0.550 339 N N -0.556 118.139 118.700 -0.008 0.000 2.297 339 N HA 0.207 4.947 4.740 -0.000 0.000 0.208 339 N C 1.566 177.070 175.510 -0.010 0.000 1.176 339 N CA 0.056 53.100 53.050 -0.010 0.000 0.882 339 N CB 0.769 39.249 38.487 -0.012 0.000 1.134 339 N HN 0.219 nan 8.380 nan 0.000 0.489 340 L N -0.030 121.189 121.223 -0.008 0.000 2.547 340 L HA 0.279 4.619 4.340 -0.000 0.000 0.218 340 L C 1.419 178.283 176.870 -0.009 0.000 1.048 340 L CA 0.251 55.086 54.840 -0.008 0.000 0.859 340 L CB 0.063 42.120 42.059 -0.004 0.000 1.128 340 L HN -0.054 nan 8.230 nan 0.000 0.483 341 M N 0.079 119.676 119.600 -0.004 0.000 2.618 341 M HA 0.291 4.770 4.480 -0.000 0.000 0.240 341 M C 0.558 176.853 176.300 -0.009 0.000 1.123 341 M CA 0.256 55.553 55.300 -0.004 0.000 1.060 341 M CB -0.385 32.219 32.600 0.007 0.000 1.535 341 M HN 0.159 nan 8.290 nan 0.000 0.507 342 G N 0.695 109.489 108.800 -0.010 0.000 2.596 342 G HA2 0.469 4.429 3.960 -0.000 0.000 0.300 342 G HA3 0.469 4.429 3.960 -0.000 0.000 0.300 342 G C -1.028 173.865 174.900 -0.013 0.000 1.370 342 G CA -0.786 44.307 45.100 -0.012 0.000 1.170 342 G HN 0.155 nan 8.290 nan 0.000 0.594 343 K N 0.958 121.346 120.400 -0.020 0.000 2.378 343 K HA 0.655 4.975 4.320 -0.000 0.000 0.244 343 K C -0.206 176.385 176.600 -0.014 0.000 1.039 343 K CA -1.097 55.180 56.287 -0.017 0.000 0.863 343 K CB 2.540 35.027 32.500 -0.022 0.000 1.326 343 K HN 0.386 nan 8.250 nan 0.000 0.460 344 R N 0.733 121.231 120.500 -0.003 0.000 2.500 344 R HA 0.472 4.812 4.340 -0.000 0.000 0.277 344 R C -0.296 176.007 176.300 0.005 0.000 1.026 344 R CA -0.710 55.397 56.100 0.011 0.000 1.058 344 R CB 1.448 31.759 30.300 0.019 0.000 1.078 344 R HN 0.494 nan 8.270 nan 0.000 0.509 345 V N -1.815 118.109 119.914 0.016 0.000 3.167 345 V HA 0.516 4.636 4.120 -0.000 0.000 0.310 345 V C -0.932 175.221 176.094 0.098 0.000 1.207 345 V CA -1.055 61.260 62.300 0.025 0.000 1.059 345 V CB 2.408 34.197 31.823 -0.057 0.000 1.079 345 V HN 0.577 nan 8.190 nan 0.000 0.446 346 D N 0.356 120.861 120.400 0.175 0.000 2.388 346 D HA 0.519 5.159 4.640 -0.000 0.000 0.254 346 D C -0.465 176.124 176.300 0.483 0.000 1.111 346 D CA 0.208 54.380 54.000 0.287 0.000 0.993 346 D CB 0.779 41.846 40.800 0.444 0.000 1.118 346 D HN 0.713 nan 8.370 nan 0.000 0.502 347 F N -0.186 119.817 119.950 0.088 0.000 2.695 347 F HA -0.233 4.294 4.527 -0.000 0.000 0.305 347 F C 0.114 176.025 175.800 0.184 0.000 1.044 347 F CA 0.020 58.092 58.000 0.121 0.000 1.049 347 F CB -2.173 36.894 39.000 0.111 0.000 1.267 347 F HN 0.169 nan 8.300 nan 0.000 0.828 348 S N -0.842 115.025 115.700 0.278 0.000 2.541 348 S HA 1.009 5.479 4.470 -0.000 0.000 0.271 348 S C -0.600 174.123 174.600 0.205 0.000 1.133 348 S CA -0.410 57.992 58.200 0.337 0.000 0.876 348 S CB 2.534 65.986 63.200 0.420 0.000 1.105 348 S HN 1.458 nan 8.310 nan 0.000 0.470 349 A N 1.411 124.352 122.820 0.203 0.000 2.549 349 A HA 0.910 5.230 4.320 -0.000 0.000 0.297 349 A C -0.842 176.926 177.584 0.306 0.000 1.061 349 A CA -0.842 51.333 52.037 0.230 0.000 0.690 349 A CB 1.795 20.975 19.000 0.301 0.000 1.287 349 A HN 0.985 nan 8.150 nan 0.000 0.402 350 R N 0.829 121.453 120.500 0.208 0.000 2.533 350 R HA 0.697 5.037 4.340 -0.000 0.000 0.288 350 R C -0.906 175.385 176.300 -0.014 0.000 1.039 350 R CA 0.441 56.659 56.100 0.196 0.000 0.909 350 R CB 1.909 32.276 30.300 0.111 0.000 1.195 350 R HN 1.218 nan 8.270 nan 0.000 0.438 351 T N -0.946 113.547 114.554 -0.101 0.000 2.671 351 T HA 0.397 4.747 4.350 -0.000 0.000 0.300 351 T C -0.434 174.213 174.700 -0.087 0.000 1.238 351 T CA -0.622 61.333 62.100 -0.243 0.000 1.020 351 T CB 0.921 69.433 68.868 -0.593 0.000 1.503 351 T HN 0.296 nan 8.240 nan 0.000 0.497 352 V N 1.119 120.978 119.914 -0.091 0.000 2.498 352 V HA 0.648 4.768 4.120 -0.000 0.000 0.279 352 V C 0.579 176.679 176.094 0.010 0.000 1.048 352 V CA -1.012 61.283 62.300 -0.008 0.000 0.967 352 V CB -0.093 31.721 31.823 -0.015 0.000 0.988 352 V HN 1.006 nan 8.190 nan 0.000 0.473 353 I N 2.707 123.320 120.570 0.072 0.000 2.396 353 I HA 0.801 4.971 4.170 -0.000 0.000 0.292 353 I C 0.169 176.130 176.117 -0.261 0.000 0.999 353 I CA -0.074 61.247 61.300 0.035 0.000 1.310 353 I CB 1.707 39.802 38.000 0.157 0.000 1.404 353 I HN 0.782 nan 8.210 nan 0.000 0.496 354 S N 3.801 119.246 115.700 -0.426 0.000 2.779 354 S HA 0.620 5.090 4.470 -0.000 0.000 0.293 354 S C 0.132 174.248 174.600 -0.805 0.000 1.150 354 S CA -0.613 57.137 58.200 -0.750 0.000 1.057 354 S CB 0.937 63.949 63.200 -0.313 0.000 1.021 354 S HN 1.167 nan 8.310 nan 0.000 0.485 355 G N 1.538 109.430 108.800 -1.514 0.000 2.568 355 G HA2 0.333 4.293 3.960 -0.000 0.000 0.231 355 G HA3 0.333 4.293 3.960 -0.000 0.000 0.231 355 G C -0.607 174.234 174.900 -0.099 0.000 1.261 355 G CA 0.138 44.991 45.100 -0.413 0.000 0.855 355 G HN 0.800 nan 8.290 nan 0.000 0.576 356 D N 1.059 121.446 120.400 -0.022 0.000 2.896 356 D HA 0.292 4.932 4.640 -0.000 0.000 0.241 356 D C -2.218 174.103 176.300 0.036 0.000 1.188 356 D CA -1.693 52.303 54.000 -0.006 0.000 0.879 356 D CB 2.824 43.592 40.800 -0.053 0.000 1.553 356 D HN 0.146 nan 8.370 nan 0.000 0.515 357 P HA 0.242 nan 4.420 nan 0.000 0.254 357 P C -0.187 177.154 177.300 0.069 0.000 1.494 357 P CA -0.080 63.077 63.100 0.094 0.000 0.961 357 P CB 0.344 32.128 31.700 0.139 0.000 1.493 358 N N -0.305 118.401 118.700 0.011 0.000 2.194 358 N HA 0.210 4.950 4.740 -0.000 0.000 0.231 358 N C 0.013 175.481 175.510 -0.070 0.000 1.247 358 N CA 0.017 53.040 53.050 -0.046 0.000 0.884 358 N CB 1.108 39.552 38.487 -0.071 0.000 1.146 358 N HN 0.220 nan 8.380 nan 0.000 0.516 359 L N 1.050 122.243 121.223 -0.051 0.000 2.334 359 L HA 0.373 4.712 4.340 -0.000 0.000 0.276 359 L C 0.410 177.250 176.870 -0.051 0.000 1.014 359 L CA -0.874 53.926 54.840 -0.067 0.000 0.815 359 L CB 1.569 43.574 42.059 -0.088 0.000 1.268 359 L HN -0.184 nan 8.230 nan 0.000 0.428 360 E N 1.454 121.623 120.200 -0.052 0.000 2.415 360 E HA -0.034 4.316 4.350 -0.000 0.000 0.262 360 E C 0.782 177.354 176.600 -0.047 0.000 1.038 360 E CA -0.214 56.167 56.400 -0.033 0.000 0.921 360 E CB 0.869 30.552 29.700 -0.029 0.000 0.950 360 E HN 0.442 nan 8.360 nan 0.000 0.438 361 L N 3.230 124.418 121.223 -0.058 0.000 2.030 361 L HA -0.295 4.045 4.340 -0.000 0.000 0.222 361 L C 1.444 178.277 176.870 -0.062 0.000 1.082 361 L CA 2.722 57.483 54.840 -0.132 0.000 0.785 361 L CB -0.714 41.163 42.059 -0.302 0.000 0.895 361 L HN 0.631 nan 8.230 nan 0.000 0.439 362 D N -1.567 118.823 120.400 -0.017 0.000 2.363 362 D HA -0.078 4.562 4.640 -0.000 0.000 0.226 362 D C 0.926 177.307 176.300 0.136 0.000 1.020 362 D CA 0.200 54.259 54.000 0.098 0.000 0.892 362 D CB -0.324 40.489 40.800 0.022 0.000 0.900 362 D HN 0.605 nan 8.370 nan 0.000 0.531 363 Q N -0.517 119.276 119.800 -0.012 0.000 2.316 363 Q HA 0.493 4.833 4.340 -0.000 0.000 0.215 363 Q C -1.004 174.835 176.000 -0.269 0.000 1.020 363 Q CA -0.714 55.038 55.803 -0.085 0.000 0.970 363 Q CB 2.211 30.891 28.738 -0.096 0.000 1.187 363 Q HN 0.035 nan 8.270 nan 0.000 0.546 364 V N 0.296 120.032 119.914 -0.296 0.000 2.697 364 V HA 0.451 4.571 4.120 -0.000 0.000 0.296 364 V C -0.773 175.139 176.094 -0.302 0.000 1.140 364 V CA -0.417 61.588 62.300 -0.492 0.000 0.921 364 V CB 1.524 32.850 31.823 -0.828 0.000 1.036 364 V HN 0.813 nan 8.190 nan 0.000 0.438 365 G N 5.443 114.112 108.800 -0.219 0.000 2.365 365 G HA2 0.495 4.454 3.960 -0.000 0.000 0.249 365 G HA3 0.495 4.454 3.960 -0.000 0.000 0.249 365 G C -0.630 174.264 174.900 -0.010 0.000 1.288 365 G CA -0.011 45.030 45.100 -0.098 0.000 0.887 365 G HN 0.991 nan 8.290 nan 0.000 0.524 366 V N 5.423 125.339 119.914 0.004 0.000 2.588 366 V HA 0.411 4.531 4.120 -0.000 0.000 0.304 366 V C -2.000 174.102 176.094 0.014 0.000 1.042 366 V CA -1.833 60.522 62.300 0.093 0.000 0.877 366 V CB 2.434 34.296 31.823 0.064 0.000 0.996 366 V HN 0.687 nan 8.190 nan 0.000 0.425 367 P HA 0.079 nan 4.420 nan 0.000 0.268 367 P C 0.360 177.600 177.300 -0.101 0.000 1.204 367 P CA -0.140 62.918 63.100 -0.070 0.000 0.768 367 P CB 1.077 32.708 31.700 -0.116 0.000 0.842 368 K N 2.549 122.856 120.400 -0.154 0.000 2.281 368 K HA -0.171 4.149 4.320 -0.000 0.000 0.203 368 K C 1.938 178.451 176.600 -0.144 0.000 1.046 368 K CA 1.563 57.715 56.287 -0.225 0.000 0.938 368 K CB -0.199 32.158 32.500 -0.238 0.000 0.737 368 K HN 0.335 nan 8.250 nan 0.000 0.458 369 S N 0.826 116.463 115.700 -0.105 0.000 2.343 369 S HA -0.124 4.345 4.470 -0.000 0.000 0.219 369 S C 1.855 176.434 174.600 -0.036 0.000 1.033 369 S CA 1.470 59.626 58.200 -0.073 0.000 1.014 369 S CB -0.255 62.899 63.200 -0.077 0.000 0.915 369 S HN 0.409 nan 8.310 nan 0.000 0.435 370 I N 1.859 122.414 120.570 -0.025 0.000 2.361 370 I HA -0.107 4.063 4.170 -0.000 0.000 0.251 370 I C 2.704 178.863 176.117 0.071 0.000 1.133 370 I CA 0.971 62.288 61.300 0.028 0.000 1.413 370 I CB -0.529 37.508 38.000 0.061 0.000 1.073 370 I HN 0.386 nan 8.210 nan 0.000 0.424 371 A N 0.606 123.451 122.820 0.043 0.000 2.125 371 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 371 A C 2.197 179.919 177.584 0.230 0.000 1.156 371 A CA 1.411 53.516 52.037 0.113 0.000 0.671 371 A CB -0.311 18.668 19.000 -0.035 0.000 0.794 371 A HN 0.383 nan 8.150 nan 0.000 0.459 372 K N -1.788 118.696 120.400 0.139 0.000 2.360 372 K HA 0.094 4.414 4.320 -0.000 0.000 0.196 372 K C 1.292 178.058 176.600 0.277 0.000 1.049 372 K CA 0.747 57.167 56.287 0.221 0.000 1.049 372 K CB 0.369 32.846 32.500 -0.039 0.000 0.881 372 K HN 0.365 nan 8.250 nan 0.000 0.542 373 T N 1.194 115.825 114.554 0.128 0.000 2.925 373 T HA 0.165 4.515 4.350 -0.000 0.000 0.245 373 T C 0.667 175.357 174.700 -0.016 0.000 1.025 373 T CA 0.285 62.402 62.100 0.029 0.000 1.149 373 T CB 0.215 69.084 68.868 0.000 0.000 0.866 373 T HN -0.014 nan 8.240 nan 0.000 0.437 374 L N 3.105 124.352 121.223 0.039 0.000 2.367 374 L HA 0.334 4.674 4.340 -0.000 0.000 0.275 374 L C 1.118 178.060 176.870 0.120 0.000 1.129 374 L CA -0.362 54.500 54.840 0.035 0.000 0.839 374 L CB 0.770 42.907 42.059 0.131 0.000 1.133 374 L HN 0.367 nan 8.230 nan 0.000 0.453 375 T N 0.416 115.058 114.554 0.147 0.000 2.797 375 T HA 0.541 4.891 4.350 -0.000 0.000 0.267 375 T C -1.067 173.928 174.700 0.493 0.000 0.986 375 T CA -0.559 61.689 62.100 0.247 0.000 0.999 375 T CB 1.658 70.632 68.868 0.176 0.000 1.508 375 T HN 0.488 nan 8.240 nan 0.000 0.595 376 Y N 0.612 121.052 120.300 0.232 0.000 2.243 376 Y HA 0.381 4.931 4.550 -0.000 0.000 0.315 376 Y C -3.051 172.899 175.900 0.083 0.000 1.286 376 Y CA -1.638 56.547 58.100 0.142 0.000 1.230 376 Y CB 1.495 40.014 38.460 0.097 0.000 1.295 376 Y HN 0.586 nan 8.280 nan 0.000 0.401 377 P HA 0.106 nan 4.420 nan 0.000 0.271 377 P C -0.864 176.136 177.300 -0.501 0.000 1.233 377 P CA 0.442 63.325 63.100 -0.362 0.000 0.764 377 P CB 1.449 32.959 31.700 -0.316 0.000 0.825 378 E N 2.714 122.849 120.200 -0.108 0.000 2.238 378 E HA 0.368 4.718 4.350 -0.000 0.000 0.267 378 E C -0.746 175.870 176.600 0.027 0.000 0.887 378 E CA -1.101 55.327 56.400 0.046 0.000 0.769 378 E CB 1.728 31.553 29.700 0.208 0.000 1.187 378 E HN 0.164 nan 8.360 nan 0.000 0.416 379 V N 2.358 122.289 119.914 0.029 0.000 2.546 379 V HA 0.209 4.329 4.120 -0.000 0.000 0.284 379 V C 0.316 176.424 176.094 0.024 0.000 1.050 379 V CA -0.973 61.343 62.300 0.025 0.000 0.981 379 V CB 1.168 32.995 31.823 0.007 0.000 0.990 379 V HN 0.459 nan 8.190 nan 0.000 0.474 380 V N 4.703 124.641 119.914 0.041 0.000 2.425 380 V HA 0.218 4.338 4.120 -0.000 0.000 0.276 380 V C 0.609 176.666 176.094 -0.062 0.000 1.017 380 V CA 0.807 63.094 62.300 -0.022 0.000 1.062 380 V CB 0.272 32.081 31.823 -0.023 0.000 0.997 380 V HN 1.111 nan 8.190 nan 0.000 0.476 381 T N 8.579 123.071 114.554 -0.104 0.000 2.893 381 T HA 0.360 4.710 4.350 -0.000 0.000 0.293 381 T C -1.675 172.981 174.700 -0.073 0.000 1.027 381 T CA -1.045 60.977 62.100 -0.129 0.000 0.988 381 T CB 2.272 70.940 68.868 -0.334 0.000 1.043 381 T HN 0.390 nan 8.240 nan 0.000 0.461 382 P HA -0.206 nan 4.420 nan 0.000 0.219 382 P C 0.903 178.391 177.300 0.314 0.000 1.144 382 P CA 1.485 64.753 63.100 0.280 0.000 0.806 382 P CB 0.049 32.047 31.700 0.497 0.000 0.771 383 Y N 1.577 121.912 120.300 0.058 0.000 2.089 383 Y HA -0.237 4.313 4.550 -0.000 0.000 0.282 383 Y C 2.641 178.548 175.900 0.011 0.000 1.139 383 Y CA 1.263 59.383 58.100 0.034 0.000 1.123 383 Y CB -1.066 37.416 38.460 0.036 0.000 0.980 383 Y HN 0.184 nan 8.280 nan 0.000 0.493 384 N N -0.183 118.625 118.700 0.181 0.000 2.336 384 N HA -0.111 4.628 4.740 -0.000 0.000 0.177 384 N C 1.523 177.043 175.510 0.017 0.000 1.018 384 N CA 0.494 53.594 53.050 0.083 0.000 0.878 384 N CB -0.651 37.879 38.487 0.071 0.000 0.997 384 N HN 0.126 nan 8.380 nan 0.000 0.433 385 I N 1.901 122.446 120.570 -0.042 0.000 2.705 385 I HA -0.449 3.721 4.170 -0.000 0.000 0.229 385 I C 1.144 177.212 176.117 -0.082 0.000 0.887 385 I CA 2.034 63.255 61.300 -0.132 0.000 1.226 385 I CB -0.840 37.001 38.000 -0.266 0.000 0.945 385 I HN 0.335 nan 8.210 nan 0.000 0.391 386 D N -0.621 119.755 120.400 -0.041 0.000 2.077 386 D HA -0.206 4.434 4.640 -0.000 0.000 0.193 386 D C 2.136 178.427 176.300 -0.015 0.000 0.989 386 D CA 1.546 55.531 54.000 -0.025 0.000 0.831 386 D CB -0.410 40.387 40.800 -0.006 0.000 0.979 386 D HN 0.418 nan 8.370 nan 0.000 0.449 387 R N 0.886 121.386 120.500 -0.001 0.000 2.097 387 R HA -0.154 4.186 4.340 -0.000 0.000 0.236 387 R C 2.690 178.992 176.300 0.003 0.000 1.135 387 R CA 1.110 57.213 56.100 0.004 0.000 0.934 387 R CB -0.775 29.534 30.300 0.015 0.000 0.846 387 R HN 0.141 nan 8.270 nan 0.000 0.431 388 L N 0.357 121.584 121.223 0.006 0.000 2.103 388 L HA -0.265 4.075 4.340 -0.000 0.000 0.215 388 L C 2.375 179.249 176.870 0.007 0.000 1.080 388 L CA 2.147 56.993 54.840 0.011 0.000 0.764 388 L CB -0.433 41.629 42.059 0.006 0.000 0.890 388 L HN 0.447 nan 8.230 nan 0.000 0.435 389 T N -1.904 112.643 114.554 -0.012 0.000 2.821 389 T HA -0.233 4.117 4.350 -0.000 0.000 0.267 389 T C 1.693 176.393 174.700 0.000 0.000 1.046 389 T CA 1.188 63.282 62.100 -0.010 0.000 1.139 389 T CB -0.084 68.765 68.868 -0.032 0.000 0.871 389 T HN 0.225 nan 8.240 nan 0.000 0.454 390 Q N 1.052 120.851 119.800 -0.002 0.000 2.020 390 Q HA 0.023 4.363 4.340 -0.000 0.000 0.202 390 Q C 2.132 178.135 176.000 0.005 0.000 0.982 390 Q CA 1.449 57.252 55.803 -0.001 0.000 0.838 390 Q CB -0.793 27.943 28.738 -0.004 0.000 0.899 390 Q HN 0.494 nan 8.270 nan 0.000 0.423 391 L N -0.888 120.340 121.223 0.008 0.000 1.971 391 L HA -0.272 4.068 4.340 -0.000 0.000 0.215 391 L C 2.308 179.193 176.870 0.025 0.000 1.072 391 L CA 1.496 56.346 54.840 0.017 0.000 0.758 391 L CB -0.899 41.173 42.059 0.022 0.000 0.889 391 L HN 0.122 nan 8.230 nan 0.000 0.433 392 V N -0.161 119.769 119.914 0.027 0.000 2.214 392 V HA -0.358 3.762 4.120 -0.000 0.000 0.247 392 V C 2.510 178.622 176.094 0.030 0.000 1.051 392 V CA 2.094 64.415 62.300 0.035 0.000 1.003 392 V CB -0.684 31.169 31.823 0.049 0.000 0.635 392 V HN 0.430 nan 8.190 nan 0.000 0.447 393 R N 0.263 120.778 120.500 0.025 0.000 2.241 393 R HA -0.127 4.213 4.340 -0.000 0.000 0.224 393 R C 2.034 178.341 176.300 0.012 0.000 1.101 393 R CA 0.935 57.047 56.100 0.019 0.000 0.995 393 R CB -0.600 29.708 30.300 0.013 0.000 0.870 393 R HN 0.545 nan 8.270 nan 0.000 0.463 394 N N 0.894 119.602 118.700 0.013 0.000 2.512 394 N HA -0.072 4.668 4.740 -0.000 0.000 0.183 394 N C 0.370 175.887 175.510 0.012 0.000 1.073 394 N CA 1.097 54.151 53.050 0.007 0.000 0.911 394 N CB 0.348 38.837 38.487 0.004 0.000 0.964 394 N HN 0.284 nan 8.380 nan 0.000 0.447 395 G N 0.782 109.595 108.800 0.021 0.000 2.712 395 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.686 395 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.686 395 G C -2.578 172.362 174.900 0.067 0.000 1.321 395 G CA -0.333 44.781 45.100 0.022 0.000 0.813 395 G HN 0.156 nan 8.290 nan 0.000 0.599 396 P HA 0.215 nan 4.420 nan 0.000 0.254 396 P C 0.364 177.763 177.300 0.165 0.000 1.620 396 P CA 0.033 63.231 63.100 0.164 0.000 1.050 396 P CB 0.130 31.823 31.700 -0.012 0.000 1.539 397 N N -0.671 118.066 118.700 0.061 0.000 2.272 397 N HA 0.052 4.792 4.740 -0.000 0.000 0.228 397 N C 0.147 175.624 175.510 -0.055 0.000 1.206 397 N CA 0.085 53.127 53.050 -0.014 0.000 0.855 397 N CB 0.224 38.692 38.487 -0.031 0.000 1.248 397 N HN 0.153 nan 8.380 nan 0.000 0.476 398 E N 0.718 120.891 120.200 -0.045 0.000 2.289 398 E HA 0.015 4.365 4.350 -0.000 0.000 0.278 398 E C 0.220 176.755 176.600 -0.109 0.000 1.032 398 E CA -0.167 56.202 56.400 -0.053 0.000 0.854 398 E CB 1.259 30.938 29.700 -0.035 0.000 1.046 398 E HN 0.268 nan 8.360 nan 0.000 0.409 399 H N 5.020 123.981 119.070 -0.182 0.000 2.517 399 H HA -0.138 4.418 4.556 -0.000 0.000 0.292 399 H C -1.502 173.684 175.328 -0.236 0.000 1.062 399 H CA 1.472 57.362 56.048 -0.263 0.000 1.117 399 H CB -1.224 28.437 29.762 -0.167 0.000 1.415 399 H HN 0.368 nan 8.280 nan 0.000 0.631 400 P HA 0.184 nan 4.420 nan 0.000 0.263 400 P C -0.341 176.853 177.300 -0.176 0.000 1.247 400 P CA 1.276 64.047 63.100 -0.547 0.000 0.876 400 P CB 0.552 32.085 31.700 -0.279 0.000 0.928 401 G N 1.661 110.487 108.800 0.044 0.000 2.635 401 G HA2 0.757 4.717 3.960 -0.000 0.000 0.194 401 G HA3 0.757 4.717 3.960 -0.000 0.000 0.194 401 G C -1.792 173.253 174.900 0.241 0.000 1.198 401 G CA 0.071 45.290 45.100 0.197 0.000 0.972 401 G HN 0.524 nan 8.290 nan 0.000 0.520 402 A N -1.248 121.586 122.820 0.023 0.000 2.566 402 A HA 0.728 5.048 4.320 -0.000 0.000 0.290 402 A C -0.081 177.354 177.584 -0.249 0.000 1.071 402 A CA 0.538 52.396 52.037 -0.298 0.000 0.658 402 A CB 1.070 20.013 19.000 -0.095 0.000 1.285 402 A HN 1.348 nan 8.150 nan 0.000 0.427 403 K N -1.010 119.216 120.400 -0.291 0.000 2.464 403 K HA 0.368 4.688 4.320 -0.000 0.000 0.206 403 K C -0.745 175.784 176.600 -0.119 0.000 1.186 403 K CA 0.095 56.223 56.287 -0.264 0.000 0.990 403 K CB 0.696 32.919 32.500 -0.462 0.000 1.003 403 K HN 0.559 nan 8.250 nan 0.000 0.562 404 Y N 0.985 121.262 120.300 -0.038 0.000 2.406 404 Y HA 0.485 5.035 4.550 -0.000 0.000 0.340 404 Y C -1.078 174.811 175.900 -0.017 0.000 0.975 404 Y CA -1.527 56.563 58.100 -0.017 0.000 1.056 404 Y CB 2.789 41.241 38.460 -0.013 0.000 1.210 404 Y HN -0.320 nan 8.280 nan 0.000 0.448 405 V N 5.764 125.763 119.914 0.142 0.000 2.444 405 V HA 0.430 4.550 4.120 -0.000 0.000 0.294 405 V C -0.419 175.609 176.094 -0.109 0.000 1.022 405 V CA -0.646 61.683 62.300 0.049 0.000 0.850 405 V CB 1.661 33.543 31.823 0.099 0.000 0.992 405 V HN 0.504 nan 8.190 nan 0.000 0.426 406 I N 3.747 124.209 120.570 -0.180 0.000 2.410 406 I HA 0.641 4.810 4.170 -0.000 0.000 0.286 406 I C -0.060 175.680 176.117 -0.627 0.000 1.009 406 I CA -0.890 60.205 61.300 -0.341 0.000 1.111 406 I CB 1.487 39.346 38.000 -0.235 0.000 1.262 406 I HN 0.468 nan 8.210 nan 0.000 0.443 407 R N 2.591 122.484 120.500 -1.013 0.000 2.560 407 R HA 0.219 4.559 4.340 -0.000 0.000 0.270 407 R C 0.741 176.593 176.300 -0.746 0.000 1.074 407 R CA -0.508 54.556 56.100 -1.727 0.000 1.140 407 R CB 0.464 29.813 30.300 -1.585 0.000 1.073 407 R HN 0.704 nan 8.270 nan 0.000 0.527 408 D N 0.330 120.444 120.400 -0.477 0.000 2.170 408 D HA -0.240 4.400 4.640 -0.000 0.000 0.193 408 D C 0.401 176.614 176.300 -0.145 0.000 1.004 408 D CA 1.641 55.551 54.000 -0.149 0.000 0.860 408 D CB -0.463 40.357 40.800 0.033 0.000 0.931 408 D HN 0.470 nan 8.370 nan 0.000 0.448 409 S N 0.097 115.707 115.700 -0.149 0.000 3.911 409 S HA 0.273 4.743 4.470 -0.000 0.000 0.188 409 S C 1.364 175.880 174.600 -0.139 0.000 1.147 409 S CA -0.254 57.880 58.200 -0.110 0.000 0.961 409 S CB -1.026 62.128 63.200 -0.077 0.000 1.582 409 S HN 0.526 nan 8.310 nan 0.000 0.458 410 G N 1.719 110.443 108.800 -0.127 0.000 2.042 410 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.249 410 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.249 410 G C -0.201 174.618 174.900 -0.135 0.000 0.736 410 G CA 0.681 45.707 45.100 -0.124 0.000 0.950 410 G HN 0.811 nan 8.290 nan 0.000 0.402 411 D N -0.816 119.475 120.400 -0.181 0.000 2.736 411 D HA 0.328 4.968 4.640 -0.000 0.000 0.243 411 D C 0.418 176.580 176.300 -0.230 0.000 1.304 411 D CA -0.828 53.065 54.000 -0.177 0.000 0.934 411 D CB 0.795 41.507 40.800 -0.147 0.000 1.382 411 D HN 0.474 nan 8.370 nan 0.000 0.571 412 R N 3.486 123.842 120.500 -0.239 0.000 2.265 412 R HA 0.517 4.857 4.340 -0.000 0.000 0.314 412 R C -0.053 176.099 176.300 -0.247 0.000 1.053 412 R CA -0.571 55.348 56.100 -0.303 0.000 0.931 412 R CB 0.850 30.876 30.300 -0.456 0.000 1.024 412 R HN 0.344 nan 8.270 nan 0.000 0.457 413 I N 2.715 123.175 120.570 -0.183 0.000 2.352 413 I HA 0.019 4.189 4.170 -0.000 0.000 0.290 413 I C 0.198 176.342 176.117 0.045 0.000 1.036 413 I CA -0.313 60.952 61.300 -0.059 0.000 1.336 413 I CB 1.034 39.025 38.000 -0.016 0.000 1.407 413 I HN 0.602 nan 8.210 nan 0.000 0.497 414 D N 7.407 127.883 120.400 0.127 0.000 2.422 414 D HA 0.105 4.745 4.640 -0.000 0.000 0.227 414 D C 1.178 177.680 176.300 0.337 0.000 1.190 414 D CA -0.033 54.205 54.000 0.397 0.000 0.905 414 D CB 0.922 41.983 40.800 0.435 0.000 1.034 414 D HN 0.550 nan 8.370 nan 0.000 0.507 415 L N 3.517 124.911 121.223 0.285 0.000 2.151 415 L HA -0.238 4.102 4.340 -0.000 0.000 0.215 415 L C 2.124 179.031 176.870 0.061 0.000 1.084 415 L CA 1.326 56.248 54.840 0.136 0.000 0.764 415 L CB -0.081 42.025 42.059 0.080 0.000 0.891 415 L HN 0.427 nan 8.230 nan 0.000 0.435 416 R N -2.093 118.422 120.500 0.026 0.000 2.346 416 R HA -0.016 4.324 4.340 -0.000 0.000 0.225 416 R C 0.241 176.198 176.300 -0.571 0.000 0.987 416 R CA 0.451 56.385 56.100 -0.276 0.000 1.106 416 R CB -0.028 30.008 30.300 -0.440 0.000 1.090 416 R HN 0.368 nan 8.270 nan 0.000 0.502 417 Y N -1.351 118.975 120.300 0.044 0.000 3.032 417 Y HA 0.092 4.642 4.550 -0.000 0.000 0.232 417 Y C 0.644 176.563 175.900 0.031 0.000 1.107 417 Y CA -0.469 57.651 58.100 0.034 0.000 1.355 417 Y CB 0.001 38.483 38.460 0.036 0.000 1.413 417 Y HN 0.041 nan 8.280 nan 0.000 0.447 418 S N 3.228 119.069 115.700 0.236 0.000 3.631 418 S HA -0.130 4.340 4.470 -0.000 0.000 0.431 418 S C 0.630 175.287 174.600 0.095 0.000 1.132 418 S CA -0.057 58.222 58.200 0.132 0.000 1.188 418 S CB -0.171 63.094 63.200 0.108 0.000 0.805 418 S HN 0.374 nan 8.310 nan 0.000 0.526 419 K N 4.494 124.941 120.400 0.078 0.000 3.354 419 K HA 0.059 4.379 4.320 -0.000 0.000 0.295 419 K C 0.840 177.469 176.600 0.049 0.000 0.831 419 K CA 0.768 57.089 56.287 0.057 0.000 1.056 419 K CB -0.222 32.306 32.500 0.048 0.000 1.090 419 K HN 0.595 nan 8.250 nan 0.000 0.410 420 R N -0.974 119.559 120.500 0.054 0.000 2.468 420 R HA 0.208 4.548 4.340 -0.000 0.000 0.352 420 R C 1.036 177.370 176.300 0.056 0.000 0.858 420 R CA 0.541 56.672 56.100 0.052 0.000 1.108 420 R CB 0.290 30.623 30.300 0.056 0.000 1.741 420 R HN 0.331 nan 8.270 nan 0.000 0.504 421 A N 0.278 123.132 122.820 0.057 0.000 1.948 421 A HA -0.126 4.194 4.320 -0.000 0.000 0.220 421 A C 1.938 179.548 177.584 0.043 0.000 1.177 421 A CA 2.140 54.210 52.037 0.055 0.000 0.636 421 A CB -0.743 18.283 19.000 0.044 0.000 0.815 421 A HN 0.426 nan 8.150 nan 0.000 0.449 422 G N -1.107 107.712 108.800 0.032 0.000 2.484 422 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.218 422 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.218 422 G C 1.116 176.032 174.900 0.027 0.000 1.130 422 G CA 0.996 46.111 45.100 0.024 0.000 0.784 422 G HN 0.533 nan 8.290 nan 0.000 0.543 423 D N 0.244 120.665 120.400 0.036 0.000 2.166 423 D HA 0.111 4.751 4.640 -0.000 0.000 0.295 423 D C 0.915 177.244 176.300 0.047 0.000 1.145 423 D CA -0.126 53.896 54.000 0.037 0.000 0.901 423 D CB 0.020 40.845 40.800 0.042 0.000 0.957 423 D HN 0.116 nan 8.370 nan 0.000 0.301 424 I N 0.413 121.024 120.570 0.067 0.000 8.603 424 I HA -0.234 3.935 4.170 -0.000 0.000 0.126 424 I C -0.893 175.254 176.117 0.050 0.000 1.853 424 I CA 0.066 61.425 61.300 0.099 0.000 2.050 424 I CB -0.428 37.647 38.000 0.126 0.000 3.850 424 I HN 0.326 nan 8.210 nan 0.000 0.173 425 Q N 7.140 126.949 119.800 0.015 0.000 2.425 425 Q HA 0.555 4.895 4.340 -0.000 0.000 0.254 425 Q C -0.111 175.752 176.000 -0.229 0.000 1.032 425 Q CA -0.703 55.046 55.803 -0.091 0.000 0.798 425 Q CB 1.653 30.326 28.738 -0.108 0.000 1.210 425 Q HN 0.507 nan 8.270 nan 0.000 0.491 426 L N 1.868 122.977 121.223 -0.189 0.000 2.516 426 L HA -0.037 4.303 4.340 -0.000 0.000 0.288 426 L C 0.613 177.091 176.870 -0.655 0.000 1.246 426 L CA 0.624 55.289 54.840 -0.291 0.000 0.844 426 L CB 0.261 42.230 42.059 -0.151 0.000 1.106 426 L HN 0.350 nan 8.230 nan 0.000 0.509 427 Q N 2.209 121.369 119.800 -1.067 0.000 2.325 427 Q HA 0.296 4.635 4.340 -0.000 0.000 0.270 427 Q C -1.099 174.590 176.000 -0.519 0.000 1.020 427 Q CA -0.791 54.358 55.803 -1.090 0.000 0.785 427 Q CB 1.722 29.162 28.738 -2.163 0.000 1.259 427 Q HN 0.276 nan 8.270 nan 0.000 0.452 428 Y N 0.455 120.580 120.300 -0.293 0.000 2.987 428 Y HA 0.041 4.590 4.550 -0.000 0.000 0.339 428 Y C 1.744 177.612 175.900 -0.054 0.000 1.272 428 Y CA 2.006 60.025 58.100 -0.135 0.000 1.562 428 Y CB 0.130 38.522 38.460 -0.113 0.000 1.253 428 Y HN 0.947 nan 8.280 nan 0.000 0.604 429 G N 0.240 109.139 108.800 0.166 0.000 2.159 429 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.256 429 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.256 429 G C -0.299 174.790 174.900 0.315 0.000 0.977 429 G CA -0.323 44.885 45.100 0.180 0.000 0.652 429 G HN 0.534 nan 8.290 nan 0.000 0.531 430 W N 0.720 122.016 121.300 -0.008 0.000 2.415 430 W HA 0.757 5.417 4.660 -0.000 0.000 0.355 430 W C 0.645 177.145 176.519 -0.031 0.000 1.161 430 W CA -1.052 56.281 57.345 -0.021 0.000 1.315 430 W CB 0.837 30.283 29.460 -0.023 0.000 1.261 430 W HN -0.059 nan 8.180 nan 0.000 0.636 431 K N 0.950 121.424 120.400 0.123 0.000 2.259 431 K HA 0.634 4.954 4.320 -0.000 0.000 0.249 431 K C -1.376 175.261 176.600 0.062 0.000 0.942 431 K CA -1.035 55.282 56.287 0.049 0.000 0.816 431 K CB 2.345 34.826 32.500 -0.031 0.000 1.155 431 K HN 0.086 nan 8.250 nan 0.000 0.428 432 V N 2.774 122.725 119.914 0.062 0.000 2.465 432 V HA 0.073 4.193 4.120 -0.000 0.000 0.263 432 V C -0.455 175.681 176.094 0.070 0.000 0.981 432 V CA -0.767 61.580 62.300 0.077 0.000 0.838 432 V CB 0.850 32.725 31.823 0.087 0.000 1.068 432 V HN 0.715 nan 8.190 nan 0.000 0.458 433 E N 4.990 125.240 120.200 0.082 0.000 2.614 433 E HA 0.034 4.384 4.350 -0.000 0.000 0.245 433 E C 0.359 176.985 176.600 0.043 0.000 1.039 433 E CA 0.256 56.714 56.400 0.096 0.000 0.948 433 E CB 0.599 30.405 29.700 0.177 0.000 0.937 433 E HN 0.703 nan 8.360 nan 0.000 0.498 434 R N 2.996 123.537 120.500 0.068 0.000 2.923 434 R HA 0.354 4.694 4.340 -0.000 0.000 0.252 434 R C -0.200 176.088 176.300 -0.019 0.000 1.130 434 R CA -0.856 55.234 56.100 -0.017 0.000 1.043 434 R CB 0.931 31.266 30.300 0.058 0.000 1.205 434 R HN 0.402 nan 8.270 nan 0.000 0.495 435 H N 1.131 120.234 119.070 0.054 0.000 2.815 435 H HA 0.076 4.632 4.556 -0.000 0.000 0.350 435 H C 0.437 175.820 175.328 0.091 0.000 1.080 435 H CA 0.042 56.126 56.048 0.060 0.000 1.433 435 H CB 0.608 30.363 29.762 -0.012 0.000 1.432 435 H HN 0.309 nan 8.280 nan 0.000 0.592 436 I N 4.296 125.022 120.570 0.260 0.000 2.741 436 I HA -0.119 4.051 4.170 -0.000 0.000 0.288 436 I C 1.012 177.238 176.117 0.183 0.000 1.192 436 I CA 0.909 62.316 61.300 0.178 0.000 1.426 436 I CB -0.655 37.444 38.000 0.165 0.000 1.367 436 I HN 0.380 nan 8.210 nan 0.000 0.563 437 M N 4.018 123.676 119.600 0.097 0.000 2.644 437 M HA 0.277 4.757 4.480 -0.000 0.000 0.316 437 M C -0.200 176.138 176.300 0.063 0.000 1.200 437 M CA -1.030 54.330 55.300 0.099 0.000 0.944 437 M CB 1.187 33.812 32.600 0.041 0.000 1.691 437 M HN 0.321 nan 8.290 nan 0.000 0.471 438 D N 2.436 122.882 120.400 0.078 0.000 2.554 438 D HA 0.012 4.652 4.640 -0.000 0.000 0.251 438 D C -0.466 175.835 176.300 0.001 0.000 1.213 438 D CA 1.567 55.586 54.000 0.032 0.000 0.900 438 D CB -0.183 40.636 40.800 0.032 0.000 1.135 438 D HN 0.556 nan 8.370 nan 0.000 0.522 439 N N 1.971 120.662 118.700 -0.015 0.000 3.148 439 N HA -0.138 4.602 4.740 -0.000 0.000 0.247 439 N C -1.762 173.721 175.510 -0.045 0.000 1.124 439 N CA 0.235 53.269 53.050 -0.027 0.000 0.685 439 N CB -0.553 37.920 38.487 -0.023 0.000 1.075 439 N HN 0.371 nan 8.380 nan 0.000 0.565 440 D N 0.795 121.164 120.400 -0.052 0.000 2.381 440 D HA 0.287 4.927 4.640 -0.000 0.000 0.235 440 D C -2.233 174.028 176.300 -0.065 0.000 1.068 440 D CA -1.144 52.801 54.000 -0.092 0.000 0.832 440 D CB 1.595 42.328 40.800 -0.112 0.000 1.101 440 D HN 0.076 nan 8.370 nan 0.000 0.515 441 P HA 0.001 nan 4.420 nan 0.000 0.266 441 P C -0.534 176.755 177.300 -0.019 0.000 1.195 441 P CA -0.095 62.983 63.100 -0.037 0.000 0.768 441 P CB 0.959 32.638 31.700 -0.036 0.000 0.838 442 V N 1.784 121.697 119.914 -0.002 0.000 3.147 442 V HA 0.346 4.466 4.120 -0.000 0.000 0.306 442 V C -0.290 175.826 176.094 0.037 0.000 1.209 442 V CA -1.144 61.172 62.300 0.027 0.000 1.023 442 V CB 2.450 34.284 31.823 0.018 0.000 1.059 442 V HN 0.410 nan 8.190 nan 0.000 0.435 443 L N 2.697 123.963 121.223 0.071 0.000 2.264 443 L HA 0.600 4.940 4.340 -0.000 0.000 0.289 443 L C -1.393 175.537 176.870 0.101 0.000 1.044 443 L CA 0.031 54.912 54.840 0.068 0.000 0.807 443 L CB 1.030 43.154 42.059 0.108 0.000 1.192 443 L HN 0.793 nan 8.230 nan 0.000 0.425 444 F N 6.700 126.575 119.950 -0.124 0.000 2.520 444 F HA 0.525 5.052 4.527 -0.000 0.000 0.322 444 F C -0.299 175.313 175.800 -0.314 0.000 1.103 444 F CA -0.906 57.000 58.000 -0.158 0.000 0.926 444 F CB 1.434 40.518 39.000 0.140 0.000 1.154 444 F HN 0.617 nan 8.300 nan 0.000 0.453 445 N N 4.455 122.691 118.700 -0.775 0.000 2.591 445 N HA 0.332 5.072 4.740 -0.000 0.000 0.263 445 N C -2.104 172.936 175.510 -0.784 0.000 1.308 445 N CA -0.784 51.753 53.050 -0.855 0.000 0.837 445 N CB 2.364 40.580 38.487 -0.452 0.000 1.548 445 N HN 0.830 nan 8.380 nan 0.000 0.493 446 R N 1.802 121.909 120.500 -0.655 0.000 2.352 446 R HA 0.247 4.587 4.340 -0.000 0.000 0.304 446 R C -0.467 175.724 176.300 -0.181 0.000 1.104 446 R CA -0.357 55.542 56.100 -0.336 0.000 0.991 446 R CB 0.664 30.859 30.300 -0.174 0.000 1.140 446 R HN 0.612 nan 8.270 nan 0.000 0.540 447 Q N 3.663 123.382 119.800 -0.136 0.000 2.479 447 Q HA 0.108 4.448 4.340 -0.000 0.000 0.267 447 Q C -1.943 174.030 176.000 -0.046 0.000 1.071 447 Q CA -1.230 54.527 55.803 -0.076 0.000 0.935 447 Q CB 0.218 28.927 28.738 -0.050 0.000 1.295 447 Q HN 0.437 nan 8.270 nan 0.000 0.476 448 P HA 0.039 nan 4.420 nan 0.000 0.282 448 P C -1.102 176.173 177.300 -0.042 0.000 1.262 448 P CA -0.227 62.853 63.100 -0.033 0.000 0.773 448 P CB 0.896 32.581 31.700 -0.025 0.000 0.879 449 S N 3.660 119.332 115.700 -0.046 0.000 2.701 449 S HA 0.128 4.598 4.470 -0.000 0.000 0.317 449 S C 1.138 175.718 174.600 -0.033 0.000 1.149 449 S CA -0.458 57.715 58.200 -0.045 0.000 1.052 449 S CB -0.464 62.702 63.200 -0.056 0.000 1.257 449 S HN 0.378 nan 8.310 nan 0.000 0.532 450 L N -0.423 120.779 121.223 -0.034 0.000 2.766 450 L HA 0.525 4.865 4.340 -0.000 0.000 0.242 450 L C 0.373 177.223 176.870 -0.033 0.000 1.136 450 L CA 0.224 55.028 54.840 -0.061 0.000 0.933 450 L CB -1.159 40.835 42.059 -0.107 0.000 1.241 450 L HN 0.518 nan 8.230 nan 0.000 0.522 451 H N -0.323 118.717 119.070 -0.049 0.000 2.615 451 H HA 0.362 4.918 4.556 -0.000 0.000 0.346 451 H C 0.455 175.754 175.328 -0.048 0.000 1.200 451 H CA -0.765 55.258 56.048 -0.043 0.000 1.264 451 H CB 2.305 32.060 29.762 -0.011 0.000 1.699 451 H HN -0.094 nan 8.280 nan 0.000 0.567 452 K N 1.068 121.512 120.400 0.074 0.000 2.098 452 K HA -0.005 4.314 4.320 -0.000 0.000 0.203 452 K C 0.210 176.787 176.600 -0.038 0.000 1.051 452 K CA 0.876 57.154 56.287 -0.016 0.000 0.957 452 K CB 0.270 32.742 32.500 -0.047 0.000 0.738 452 K HN 0.482 nan 8.250 nan 0.000 0.447 453 M N 0.696 120.234 119.600 -0.104 0.000 3.709 453 M HA 0.088 4.568 4.480 -0.000 0.000 0.202 453 M C 0.637 176.980 176.300 0.072 0.000 1.360 453 M CA 0.167 55.424 55.300 -0.070 0.000 1.600 453 M CB 1.172 33.655 32.600 -0.196 0.000 1.061 453 M HN -0.148 nan 8.290 nan 0.000 0.575 454 S N 0.010 115.732 115.700 0.036 0.000 2.559 454 S HA 0.458 4.927 4.470 -0.000 0.000 0.226 454 S C 0.268 174.664 174.600 -0.341 0.000 1.030 454 S CA -0.058 58.122 58.200 -0.033 0.000 0.956 454 S CB 0.462 63.664 63.200 0.003 0.000 0.900 454 S HN 0.537 nan 8.310 nan 0.000 0.510 455 M N 1.511 120.990 119.600 -0.201 0.000 2.326 455 M HA 0.541 5.021 4.480 -0.000 0.000 0.292 455 M C -1.365 174.874 176.300 -0.102 0.000 1.081 455 M CA -0.077 55.085 55.300 -0.230 0.000 0.919 455 M CB 2.240 34.764 32.600 -0.127 0.000 1.634 455 M HN 0.104 nan 8.290 nan 0.000 0.451 456 M N 1.350 120.898 119.600 -0.087 0.000 2.683 456 M HA 0.758 5.237 4.480 -0.000 0.000 0.274 456 M C -1.115 175.064 176.300 -0.201 0.000 1.272 456 M CA -0.498 54.745 55.300 -0.095 0.000 0.833 456 M CB 2.730 35.305 32.600 -0.041 0.000 1.708 456 M HN 0.741 nan 8.290 nan 0.000 0.463 457 A N 0.802 123.486 122.820 -0.227 0.000 2.290 457 A HA 0.752 5.072 4.320 -0.000 0.000 0.310 457 A C -1.220 176.179 177.584 -0.309 0.000 1.202 457 A CA -0.405 51.519 52.037 -0.188 0.000 0.837 457 A CB 0.254 19.198 19.000 -0.093 0.000 1.139 457 A HN 0.770 nan 8.150 nan 0.000 0.509 458 H N 1.034 120.095 119.070 -0.015 0.000 2.771 458 H HA 0.420 4.976 4.556 -0.000 0.000 0.367 458 H C -0.518 174.758 175.328 -0.086 0.000 1.172 458 H CA -0.645 55.364 56.048 -0.065 0.000 1.186 458 H CB 1.461 31.140 29.762 -0.138 0.000 1.790 458 H HN 0.697 nan 8.280 nan 0.000 0.556 459 R N 0.767 121.301 120.500 0.056 0.000 2.265 459 R HA 0.288 4.628 4.340 -0.000 0.000 0.314 459 R C -0.341 175.935 176.300 -0.039 0.000 1.053 459 R CA -0.588 55.507 56.100 -0.008 0.000 0.931 459 R CB 0.903 31.193 30.300 -0.017 0.000 1.024 459 R HN 0.188 nan 8.270 nan 0.000 0.457 460 V N 3.641 123.529 119.914 -0.042 0.000 2.585 460 V HA 0.027 4.147 4.120 -0.000 0.000 0.296 460 V C 0.210 176.276 176.094 -0.046 0.000 1.035 460 V CA 0.445 62.713 62.300 -0.053 0.000 1.084 460 V CB 0.939 32.748 31.823 -0.023 0.000 0.953 460 V HN 0.559 nan 8.190 nan 0.000 0.483 461 K N 4.727 125.089 120.400 -0.063 0.000 2.664 461 K HA 0.399 4.719 4.320 -0.000 0.000 0.234 461 K C -1.132 175.432 176.600 -0.059 0.000 0.980 461 K CA -0.408 55.846 56.287 -0.055 0.000 0.996 461 K CB 1.280 33.737 32.500 -0.071 0.000 1.190 461 K HN 0.388 nan 8.250 nan 0.000 0.479 462 V N 6.265 126.146 119.914 -0.055 0.000 2.521 462 V HA 0.281 4.401 4.120 -0.000 0.000 0.286 462 V C 0.854 176.880 176.094 -0.114 0.000 1.034 462 V CA -0.163 62.072 62.300 -0.109 0.000 1.045 462 V CB -0.577 31.113 31.823 -0.221 0.000 0.974 462 V HN 0.717 nan 8.190 nan 0.000 0.480 463 I N 3.529 124.043 120.570 -0.093 0.000 3.239 463 I HA 0.820 4.990 4.170 -0.000 0.000 0.314 463 I C -2.661 173.425 176.117 -0.051 0.000 1.126 463 I CA -2.713 58.553 61.300 -0.056 0.000 0.973 463 I CB 2.628 40.618 38.000 -0.016 0.000 1.252 463 I HN 0.368 nan 8.210 nan 0.000 0.463 464 P HA 0.336 nan 4.420 nan 0.000 0.282 464 P C -1.496 175.876 177.300 0.119 0.000 1.287 464 P CA 0.079 63.148 63.100 -0.052 0.000 0.792 464 P CB 0.384 31.991 31.700 -0.154 0.000 1.163 465 Y N -2.979 117.273 120.300 -0.081 0.000 2.513 465 Y HA -0.204 4.346 4.550 -0.000 0.000 0.021 465 Y C 1.126 176.965 175.900 -0.101 0.000 1.708 465 Y CA 0.561 58.613 58.100 -0.080 0.000 1.415 465 Y CB -2.162 36.256 38.460 -0.069 0.000 2.060 465 Y HN 0.258 nan 8.280 nan 0.000 0.255 466 S N 0.003 115.736 115.700 0.054 0.000 2.859 466 S HA 0.242 4.712 4.470 -0.000 0.000 0.245 466 S C 0.237 174.762 174.600 -0.124 0.000 1.008 466 S CA 0.262 58.426 58.200 -0.059 0.000 1.089 466 S CB -0.707 62.453 63.200 -0.065 0.000 0.798 466 S HN 0.684 nan 8.310 nan 0.000 0.477 467 T N -1.328 113.169 114.554 -0.094 0.000 2.908 467 T HA 0.643 4.993 4.350 -0.000 0.000 0.290 467 T C -0.517 174.136 174.700 -0.080 0.000 1.034 467 T CA -0.845 61.176 62.100 -0.131 0.000 1.010 467 T CB 0.813 69.632 68.868 -0.082 0.000 1.068 467 T HN 0.174 nan 8.240 nan 0.000 0.481 468 F N 1.934 121.860 119.950 -0.040 0.000 2.413 468 F HA 0.371 4.898 4.527 -0.000 0.000 0.359 468 F C 1.267 177.001 175.800 -0.110 0.000 1.122 468 F CA -1.087 56.876 58.000 -0.061 0.000 1.160 468 F CB 0.803 39.859 39.000 0.094 0.000 1.146 468 F HN 0.253 nan 8.300 nan 0.000 0.514 469 R N 6.635 127.160 120.500 0.042 0.000 2.247 469 R HA 0.416 4.756 4.340 -0.000 0.000 0.329 469 R C -0.682 175.538 176.300 -0.133 0.000 1.014 469 R CA -0.616 55.436 56.100 -0.080 0.000 0.907 469 R CB 1.007 31.257 30.300 -0.085 0.000 1.146 469 R HN 0.633 nan 8.270 nan 0.000 0.499 470 L N -0.567 120.578 121.223 -0.131 0.000 2.332 470 L HA 0.562 4.902 4.340 -0.000 0.000 0.269 470 L C 0.272 177.077 176.870 -0.107 0.000 1.016 470 L CA -1.159 53.579 54.840 -0.171 0.000 0.809 470 L CB 1.114 43.138 42.059 -0.058 0.000 1.280 470 L HN 0.331 nan 8.230 nan 0.000 0.447 471 N N 0.609 119.234 118.700 -0.125 0.000 2.297 471 N HA 0.066 4.805 4.740 -0.000 0.000 0.232 471 N C 0.565 176.077 175.510 0.004 0.000 1.311 471 N CA 0.136 53.152 53.050 -0.057 0.000 0.897 471 N CB 1.003 39.442 38.487 -0.080 0.000 1.137 471 N HN 0.835 nan 8.380 nan 0.000 0.449 472 L N 0.919 122.175 121.223 0.055 0.000 2.102 472 L HA -0.029 4.311 4.340 -0.000 0.000 0.202 472 L C 2.379 179.287 176.870 0.063 0.000 1.076 472 L CA 0.664 55.568 54.840 0.107 0.000 0.761 472 L CB -0.376 41.764 42.059 0.135 0.000 0.921 472 L HN 0.509 nan 8.230 nan 0.000 0.444 473 S N -0.871 114.861 115.700 0.052 0.000 2.442 473 S HA -0.143 4.327 4.470 -0.000 0.000 0.236 473 S C 1.499 176.050 174.600 -0.082 0.000 1.007 473 S CA 0.922 59.149 58.200 0.045 0.000 0.965 473 S CB -0.121 63.158 63.200 0.131 0.000 0.773 473 S HN 0.262 nan 8.310 nan 0.000 0.504 474 V N 1.591 121.414 119.914 -0.152 0.000 3.499 474 V HA 0.090 4.210 4.120 -0.000 0.000 0.308 474 V C 1.709 177.619 176.094 -0.307 0.000 1.319 474 V CA 0.822 62.958 62.300 -0.274 0.000 1.194 474 V CB -0.576 31.082 31.823 -0.275 0.000 1.072 474 V HN 0.462 nan 8.190 nan 0.000 0.426 475 T N 0.138 114.628 114.554 -0.106 0.000 2.770 475 T HA -0.115 4.234 4.350 -0.000 0.000 0.258 475 T C 2.064 176.759 174.700 -0.007 0.000 1.039 475 T CA 1.940 64.036 62.100 -0.007 0.000 1.143 475 T CB -0.104 68.802 68.868 0.064 0.000 0.866 475 T HN 0.795 nan 8.240 nan 0.000 0.428 476 S N 1.206 116.902 115.700 -0.006 0.000 2.481 476 S HA 0.056 4.526 4.470 -0.000 0.000 0.231 476 S C -0.874 173.761 174.600 0.058 0.000 0.996 476 S CA 0.328 58.544 58.200 0.027 0.000 0.942 476 S CB -1.237 61.982 63.200 0.031 0.000 0.768 476 S HN 0.462 nan 8.310 nan 0.000 0.520 477 P HA 0.106 nan 4.420 nan 0.000 0.222 477 P C 0.904 178.381 177.300 0.295 0.000 1.157 477 P CA 0.682 63.838 63.100 0.094 0.000 0.816 477 P CB -0.113 31.565 31.700 -0.037 0.000 0.813 478 Y N -1.888 118.450 120.300 0.064 0.000 2.475 478 Y HA 0.065 4.615 4.550 -0.000 0.000 0.289 478 Y C 0.744 176.664 175.900 0.034 0.000 1.121 478 Y CA -0.360 57.761 58.100 0.034 0.000 1.257 478 Y CB 0.017 38.473 38.460 -0.007 0.000 1.026 478 Y HN -0.049 nan 8.280 nan 0.000 0.555 479 N N 0.254 119.073 118.700 0.199 0.000 2.862 479 N HA -0.140 4.600 4.740 -0.000 0.000 0.246 479 N C -1.029 174.547 175.510 0.110 0.000 1.111 479 N CA 0.550 53.667 53.050 0.111 0.000 0.688 479 N CB -1.065 37.468 38.487 0.076 0.000 1.018 479 N HN 0.301 nan 8.380 nan 0.000 0.556 480 A N 1.066 123.972 122.820 0.143 0.000 2.276 480 A HA 0.584 4.904 4.320 -0.000 0.000 0.316 480 A C 0.069 177.740 177.584 0.145 0.000 1.229 480 A CA -0.376 51.766 52.037 0.176 0.000 0.851 480 A CB 0.760 19.919 19.000 0.266 0.000 1.165 480 A HN 0.400 nan 8.150 nan 0.000 0.513 481 D N 0.801 121.283 120.400 0.136 0.000 2.497 481 D HA 0.427 5.067 4.640 -0.000 0.000 0.243 481 D C -0.295 176.201 176.300 0.327 0.000 1.039 481 D CA -0.564 53.433 54.000 -0.005 0.000 1.052 481 D CB 0.884 41.651 40.800 -0.055 0.000 1.344 481 D HN 0.424 nan 8.370 nan 0.000 0.553 482 F N -0.554 119.418 119.950 0.036 0.000 2.653 482 F HA 0.058 4.585 4.527 -0.000 0.000 0.304 482 F C 0.953 176.768 175.800 0.025 0.000 1.092 482 F CA -0.784 57.238 58.000 0.036 0.000 1.279 482 F CB 0.561 39.581 39.000 0.033 0.000 1.044 482 F HN 0.201 nan 8.300 nan 0.000 0.564 483 D N 1.088 121.583 120.400 0.158 0.000 2.948 483 D HA 0.088 4.728 4.640 -0.000 0.000 0.241 483 D C 1.311 177.659 176.300 0.080 0.000 1.198 483 D CA 0.713 54.769 54.000 0.094 0.000 0.926 483 D CB -0.020 40.808 40.800 0.045 0.000 1.151 483 D HN 0.481 nan 8.370 nan 0.000 0.441 484 G N 0.877 109.735 108.800 0.096 0.000 2.134 484 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.209 484 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.209 484 G C -0.414 174.528 174.900 0.069 0.000 0.993 484 G CA -0.489 44.651 45.100 0.066 0.000 0.669 484 G HN 0.428 nan 8.290 nan 0.000 0.519 485 D N 1.159 121.620 120.400 0.103 0.000 2.308 485 D HA 0.445 5.084 4.640 -0.000 0.000 0.251 485 D C 0.608 176.966 176.300 0.096 0.000 1.127 485 D CA 0.318 54.377 54.000 0.099 0.000 0.876 485 D CB 1.180 42.059 40.800 0.131 0.000 1.176 485 D HN 0.554 nan 8.370 nan 0.000 0.446 486 E N 1.214 121.458 120.200 0.074 0.000 2.222 486 E HA 0.586 4.936 4.350 -0.000 0.000 0.267 486 E C -0.159 176.488 176.600 0.078 0.000 0.963 486 E CA -0.730 55.719 56.400 0.083 0.000 0.837 486 E CB 2.189 31.921 29.700 0.054 0.000 1.183 486 E HN 0.242 nan 8.360 nan 0.000 0.403 487 M N 1.331 121.016 119.600 0.141 0.000 2.550 487 M HA 0.363 4.843 4.480 -0.000 0.000 0.292 487 M C -1.058 175.294 176.300 0.086 0.000 1.221 487 M CA -0.974 54.325 55.300 -0.002 0.000 0.873 487 M CB 2.206 34.669 32.600 -0.229 0.000 1.727 487 M HN 0.387 nan 8.290 nan 0.000 0.459 488 N N 2.033 120.655 118.700 -0.130 0.000 2.492 488 N HA 0.772 5.512 4.740 -0.000 0.000 0.289 488 N C -1.462 173.925 175.510 -0.205 0.000 1.133 488 N CA -0.452 52.540 53.050 -0.098 0.000 0.961 488 N CB 1.984 40.370 38.487 -0.168 0.000 1.186 488 N HN 0.518 nan 8.380 nan 0.000 0.493 489 L N 0.624 121.755 121.223 -0.155 0.000 2.505 489 L HA 0.476 4.816 4.340 -0.000 0.000 0.266 489 L C -1.502 175.262 176.870 -0.175 0.000 0.954 489 L CA -0.507 54.264 54.840 -0.115 0.000 0.852 489 L CB 1.469 43.538 42.059 0.015 0.000 1.282 489 L HN 0.460 nan 8.230 nan 0.000 0.403 490 H N 3.075 122.215 119.070 0.117 0.000 2.533 490 H HA 0.705 5.261 4.556 -0.000 0.000 0.343 490 H C -0.865 174.539 175.328 0.127 0.000 1.160 490 H CA -0.840 55.282 56.048 0.123 0.000 1.218 490 H CB 2.531 32.344 29.762 0.086 0.000 1.566 490 H HN 0.534 nan 8.280 nan 0.000 0.522 491 V N 5.320 125.420 119.914 0.311 0.000 2.357 491 V HA 0.177 4.297 4.120 -0.000 0.000 0.284 491 V C -1.739 174.461 176.094 0.178 0.000 1.018 491 V CA -1.542 60.906 62.300 0.247 0.000 0.841 491 V CB 1.508 33.541 31.823 0.351 0.000 0.991 491 V HN 0.658 nan 8.190 nan 0.000 0.437 492 P HA 0.026 nan 4.420 nan 0.000 0.271 492 P C -0.459 176.926 177.300 0.142 0.000 1.233 492 P CA 0.189 63.352 63.100 0.104 0.000 0.795 492 P CB 1.374 33.131 31.700 0.095 0.000 0.936 493 Q N -1.124 118.715 119.800 0.065 0.000 2.167 493 Q HA 0.203 4.543 4.340 -0.000 0.000 0.251 493 Q C 0.012 175.936 176.000 -0.128 0.000 0.768 493 Q CA 0.439 56.186 55.803 -0.094 0.000 0.944 493 Q CB 0.507 29.051 28.738 -0.323 0.000 1.179 493 Q HN 0.385 nan 8.270 nan 0.000 0.478 494 S N 0.103 115.809 115.700 0.011 0.000 2.578 494 S HA 0.208 4.678 4.470 -0.000 0.000 0.301 494 S C 0.392 175.062 174.600 0.116 0.000 1.091 494 S CA -0.511 57.694 58.200 0.008 0.000 1.032 494 S CB 1.633 64.820 63.200 -0.021 0.000 1.064 494 S HN 0.154 nan 8.310 nan 0.000 0.508 495 E N 1.963 122.227 120.200 0.107 0.000 2.209 495 E HA -0.214 4.136 4.350 -0.000 0.000 0.196 495 E C 1.612 178.259 176.600 0.078 0.000 0.993 495 E CA 1.910 58.384 56.400 0.123 0.000 0.819 495 E CB 0.028 29.782 29.700 0.090 0.000 0.745 495 E HN 0.804 nan 8.360 nan 0.000 0.477 496 E N -2.165 118.067 120.200 0.053 0.000 2.216 496 E HA -0.000 4.350 4.350 -0.000 0.000 0.192 496 E C 1.907 178.527 176.600 0.034 0.000 0.973 496 E CA 0.921 57.345 56.400 0.040 0.000 0.851 496 E CB -0.362 29.356 29.700 0.030 0.000 0.804 496 E HN -0.025 nan 8.360 nan 0.000 0.477 497 T N 1.937 116.510 114.554 0.032 0.000 2.622 497 T HA -0.217 4.132 4.350 -0.000 0.000 0.266 497 T C 1.890 176.609 174.700 0.032 0.000 1.047 497 T CA 2.297 64.411 62.100 0.023 0.000 1.159 497 T CB -0.317 68.562 68.868 0.019 0.000 0.863 497 T HN 0.382 nan 8.240 nan 0.000 0.422 498 R N 1.839 122.371 120.500 0.053 0.000 2.103 498 R HA -0.001 4.338 4.340 -0.000 0.000 0.242 498 R C 2.571 178.881 176.300 0.017 0.000 1.142 498 R CA 1.522 57.642 56.100 0.033 0.000 0.960 498 R CB -0.885 29.430 30.300 0.025 0.000 0.858 498 R HN 0.331 nan 8.270 nan 0.000 0.439 499 A N 1.875 124.711 122.820 0.027 0.000 1.884 499 A HA -0.256 4.064 4.320 -0.000 0.000 0.219 499 A C 2.115 179.708 177.584 0.015 0.000 1.197 499 A CA 1.952 54.002 52.037 0.022 0.000 0.637 499 A CB -0.679 18.341 19.000 0.032 0.000 0.827 499 A HN 0.560 nan 8.150 nan 0.000 0.450 500 E N -0.600 119.609 120.200 0.015 0.000 2.171 500 E HA -0.203 4.147 4.350 -0.000 0.000 0.197 500 E C 2.000 178.598 176.600 -0.004 0.000 0.997 500 E CA 1.254 57.657 56.400 0.007 0.000 0.810 500 E CB -0.294 29.406 29.700 0.001 0.000 0.738 500 E HN 0.671 nan 8.360 nan 0.000 0.467 501 L N 0.570 121.791 121.223 -0.003 0.000 2.023 501 L HA -0.167 4.173 4.340 -0.000 0.000 0.205 501 L C 2.745 179.602 176.870 -0.023 0.000 1.073 501 L CA 1.445 56.277 54.840 -0.013 0.000 0.745 501 L CB -0.455 41.600 42.059 -0.007 0.000 0.900 501 L HN 0.156 nan 8.230 nan 0.000 0.435 502 S N -1.384 114.305 115.700 -0.018 0.000 2.419 502 S HA -0.195 4.275 4.470 -0.000 0.000 0.233 502 S C 1.847 176.436 174.600 -0.018 0.000 1.016 502 S CA 0.817 59.004 58.200 -0.021 0.000 0.974 502 S CB -0.202 62.989 63.200 -0.015 0.000 0.786 502 S HN 0.307 nan 8.310 nan 0.000 0.492 503 Q N -0.221 119.572 119.800 -0.012 0.000 2.356 503 Q HA 0.464 4.803 4.340 -0.000 0.000 0.205 503 Q C 0.700 176.688 176.000 -0.020 0.000 0.901 503 Q CA 0.395 56.192 55.803 -0.010 0.000 0.938 503 Q CB 0.360 29.100 28.738 0.003 0.000 1.081 503 Q HN 0.579 nan 8.270 nan 0.000 0.517 504 L N -3.427 117.780 121.223 -0.026 0.000 3.503 504 L HA 0.138 4.478 4.340 -0.000 0.000 0.327 504 L C 0.979 177.825 176.870 -0.041 0.000 1.108 504 L CA 0.324 55.144 54.840 -0.034 0.000 1.214 504 L CB 0.282 42.324 42.059 -0.029 0.000 1.806 504 L HN -0.019 nan 8.230 nan 0.000 0.610 505 C N 0.596 119.870 119.300 -0.043 0.000 2.926 505 C HA 0.647 5.107 4.460 -0.000 0.000 0.272 505 C C 1.491 176.434 174.990 -0.079 0.000 1.249 505 C CA -0.609 58.376 59.018 -0.055 0.000 1.691 505 C CB -0.587 27.125 27.740 -0.047 0.000 1.983 505 C HN 0.369 nan 8.230 nan 0.000 0.615 506 A N 1.074 123.850 122.820 -0.074 0.000 2.498 506 A HA 0.346 4.666 4.320 -0.000 0.000 0.239 506 A C 1.414 178.938 177.584 -0.100 0.000 1.068 506 A CA 0.212 52.193 52.037 -0.093 0.000 0.766 506 A CB 0.335 19.297 19.000 -0.062 0.000 1.003 506 A HN 0.248 nan 8.150 nan 0.000 0.497 507 V N 3.349 123.185 119.914 -0.130 0.000 2.324 507 V HA -0.196 3.923 4.120 -0.000 0.000 0.250 507 V C -0.399 175.630 176.094 -0.108 0.000 1.060 507 V CA 2.624 64.853 62.300 -0.118 0.000 1.042 507 V CB -1.692 30.069 31.823 -0.103 0.000 0.650 507 V HN 0.808 nan 8.190 nan 0.000 0.450 508 P HA -0.162 nan 4.420 nan 0.000 0.216 508 P C 1.732 179.001 177.300 -0.053 0.000 1.150 508 P CA 1.467 64.528 63.100 -0.065 0.000 0.843 508 P CB -0.042 31.635 31.700 -0.038 0.000 0.787 509 L N -1.242 119.948 121.223 -0.055 0.000 2.034 509 L HA -0.124 4.216 4.340 -0.000 0.000 0.203 509 L C 2.325 179.158 176.870 -0.062 0.000 1.074 509 L CA 1.261 56.070 54.840 -0.051 0.000 0.748 509 L CB -1.389 40.641 42.059 -0.049 0.000 0.905 509 L HN -0.175 nan 8.230 nan 0.000 0.439 510 Q N 0.157 119.914 119.800 -0.071 0.000 2.522 510 Q HA -0.165 4.175 4.340 -0.000 0.000 0.216 510 Q C 2.154 178.101 176.000 -0.087 0.000 0.986 510 Q CA 1.125 56.881 55.803 -0.079 0.000 0.901 510 Q CB -0.705 27.985 28.738 -0.080 0.000 0.954 510 Q HN 0.551 nan 8.270 nan 0.000 0.502 511 I N -0.421 120.101 120.570 -0.081 0.000 2.185 511 I HA -0.243 3.927 4.170 -0.000 0.000 0.246 511 I C 0.461 176.536 176.117 -0.069 0.000 1.088 511 I CA 0.992 62.253 61.300 -0.066 0.000 1.347 511 I CB 0.311 38.296 38.000 -0.024 0.000 1.041 511 I HN -0.107 nan 8.210 nan 0.000 0.415 512 V N 1.027 120.886 119.914 -0.092 0.000 2.293 512 V HA 0.150 4.270 4.120 -0.000 0.000 0.275 512 V C 0.169 176.209 176.094 -0.090 0.000 1.021 512 V CA -0.512 61.707 62.300 -0.134 0.000 0.815 512 V CB 1.023 32.727 31.823 -0.198 0.000 1.025 512 V HN 0.244 nan 8.190 nan 0.000 0.448 513 S N 7.981 123.639 115.700 -0.069 0.000 2.537 513 S HA 0.195 4.665 4.470 -0.000 0.000 0.286 513 S C -0.758 173.866 174.600 0.040 0.000 1.299 513 S CA -0.645 57.539 58.200 -0.028 0.000 1.067 513 S CB 1.008 64.194 63.200 -0.024 0.000 0.864 513 S HN 0.649 nan 8.310 nan 0.000 0.494 514 P HA -0.066 nan 4.420 nan 0.000 0.235 514 P C 1.073 178.563 177.300 0.316 0.000 1.177 514 P CA 0.535 63.741 63.100 0.176 0.000 0.785 514 P CB -0.043 31.773 31.700 0.193 0.000 0.885 515 Q N 1.343 121.290 119.800 0.245 0.000 2.364 515 Q HA -0.051 4.288 4.340 -0.000 0.000 0.209 515 Q C 1.022 177.158 176.000 0.228 0.000 0.977 515 Q CA 1.771 57.734 55.803 0.267 0.000 0.885 515 Q CB -0.482 28.299 28.738 0.071 0.000 0.941 515 Q HN 0.219 nan 8.270 nan 0.000 0.464 516 S N -0.529 115.292 115.700 0.203 0.000 3.101 516 S HA 0.114 4.584 4.470 -0.000 0.000 0.252 516 S C -0.369 174.422 174.600 0.318 0.000 0.920 516 S CA -0.245 58.117 58.200 0.269 0.000 1.158 516 S CB -0.780 62.576 63.200 0.259 0.000 1.125 516 S HN 0.606 nan 8.310 nan 0.000 0.608 517 N N 2.026 120.865 118.700 0.232 0.000 2.701 517 N HA -0.295 4.445 4.740 -0.000 0.000 0.257 517 N C -0.477 175.127 175.510 0.158 0.000 0.969 517 N CA 1.750 54.913 53.050 0.189 0.000 0.786 517 N CB -1.678 36.951 38.487 0.238 0.000 0.917 517 N HN 0.921 nan 8.380 nan 0.000 0.541 518 K N -1.575 118.848 120.400 0.038 0.000 2.557 518 K HA 0.389 4.709 4.320 -0.000 0.000 0.257 518 K C -3.209 173.300 176.600 -0.152 0.000 0.933 518 K CA -1.779 54.460 56.287 -0.080 0.000 0.820 518 K CB 2.252 34.797 32.500 0.076 0.000 1.330 518 K HN -0.104 nan 8.250 nan 0.000 0.432 519 P HA -0.087 nan 4.420 nan 0.000 0.267 519 P C 0.591 177.870 177.300 -0.035 0.000 1.195 519 P CA -0.105 62.912 63.100 -0.139 0.000 0.773 519 P CB 0.249 31.891 31.700 -0.096 0.000 0.837 520 C N 0.750 120.037 119.300 -0.021 0.000 2.976 520 C HA 0.569 5.029 4.460 -0.000 0.000 0.274 520 C C 0.456 175.453 174.990 0.012 0.000 1.487 520 C CA -0.436 58.580 59.018 -0.003 0.000 1.789 520 C CB -1.385 26.326 27.740 -0.047 0.000 2.771 520 C HN 0.407 nan 8.230 nan 0.000 0.551 521 M N 0.615 120.248 119.600 0.055 0.000 3.163 521 M HA 0.822 5.302 4.480 -0.000 0.000 0.287 521 M C 0.137 176.578 176.300 0.235 0.000 1.323 521 M CA 0.266 55.623 55.300 0.095 0.000 0.760 521 M CB 1.714 34.306 32.600 -0.013 0.000 1.770 521 M HN 0.376 nan 8.290 nan 0.000 0.431 522 G N 0.332 109.403 108.800 0.451 0.000 2.369 522 G HA2 0.223 4.182 3.960 -0.000 0.000 0.307 522 G HA3 0.223 4.182 3.960 -0.000 0.000 0.307 522 G C -1.790 173.239 174.900 0.215 0.000 1.327 522 G CA -1.192 44.091 45.100 0.305 0.000 0.963 522 G HN 0.671 nan 8.290 nan 0.000 0.590 523 I N 0.815 121.399 120.570 0.024 0.000 2.471 523 I HA 0.371 4.541 4.170 -0.000 0.000 0.286 523 I C 0.541 176.681 176.117 0.038 0.000 1.079 523 I CA -0.255 61.065 61.300 0.033 0.000 1.398 523 I CB 0.825 38.798 38.000 -0.045 0.000 1.403 523 I HN 0.319 nan 8.210 nan 0.000 0.530 524 V N 5.547 125.494 119.914 0.056 0.000 3.158 524 V HA 0.363 4.483 4.120 -0.000 0.000 0.315 524 V C 0.445 176.555 176.094 0.028 0.000 1.148 524 V CA -0.628 61.694 62.300 0.036 0.000 1.042 524 V CB 1.579 33.424 31.823 0.037 0.000 1.101 524 V HN 0.921 nan 8.190 nan 0.000 0.448 525 Q N -0.046 119.763 119.800 0.014 0.000 2.289 525 Q HA -0.391 3.949 4.340 -0.000 0.000 0.451 525 Q C 1.209 177.219 176.000 0.017 0.000 0.683 525 Q CA 2.139 57.950 55.803 0.013 0.000 0.903 525 Q CB -0.969 27.774 28.738 0.008 0.000 3.084 525 Q HN 0.944 nan 8.270 nan 0.000 0.946 526 D N -0.282 120.139 120.400 0.035 0.000 2.268 526 D HA -0.185 4.455 4.640 -0.000 0.000 0.189 526 D C 1.975 178.295 176.300 0.033 0.000 1.010 526 D CA 2.616 56.641 54.000 0.042 0.000 0.862 526 D CB -0.497 40.347 40.800 0.072 0.000 0.943 526 D HN 0.533 nan 8.370 nan 0.000 0.451 527 T N 0.143 114.727 114.554 0.050 0.000 2.788 527 T HA -0.140 4.210 4.350 -0.000 0.000 0.268 527 T C 1.858 176.561 174.700 0.006 0.000 1.044 527 T CA 0.876 63.003 62.100 0.045 0.000 1.139 527 T CB -0.344 68.561 68.868 0.061 0.000 0.867 527 T HN 0.069 nan 8.240 nan 0.000 0.454 528 L N 1.166 122.386 121.223 -0.004 0.000 2.005 528 L HA 0.009 4.349 4.340 -0.000 0.000 0.207 528 L C 2.685 179.523 176.870 -0.053 0.000 1.072 528 L CA 1.479 56.302 54.840 -0.027 0.000 0.744 528 L CB -1.275 40.774 42.059 -0.017 0.000 0.895 528 L HN 0.406 nan 8.230 nan 0.000 0.433 529 C N 0.094 119.353 119.300 -0.068 0.000 2.413 529 C HA -0.067 4.392 4.460 -0.000 0.000 0.277 529 C C 2.734 177.625 174.990 -0.165 0.000 1.265 529 C CA 0.961 59.889 59.018 -0.150 0.000 1.752 529 C CB -1.719 25.897 27.740 -0.206 0.000 1.998 529 C HN 0.727 nan 8.230 nan 0.000 0.489 530 G N -0.277 108.479 108.800 -0.074 0.000 2.411 530 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.213 530 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.213 530 G C 1.439 176.329 174.900 -0.016 0.000 1.166 530 G CA 0.756 45.874 45.100 0.030 0.000 0.802 530 G HN 0.490 nan 8.290 nan 0.000 0.533 531 I N 1.028 121.564 120.570 -0.055 0.000 2.236 531 I HA -0.226 3.944 4.170 -0.000 0.000 0.249 531 I C 2.655 178.681 176.117 -0.152 0.000 1.102 531 I CA 1.833 63.064 61.300 -0.114 0.000 1.365 531 I CB -0.153 37.793 38.000 -0.091 0.000 1.051 531 I HN 0.232 nan 8.210 nan 0.000 0.420 532 R N 0.514 120.945 120.500 -0.115 0.000 2.064 532 R HA -0.168 4.172 4.340 -0.000 0.000 0.228 532 R C 2.332 178.561 176.300 -0.118 0.000 1.144 532 R CA 1.632 57.668 56.100 -0.108 0.000 0.932 532 R CB -0.336 29.917 30.300 -0.079 0.000 0.833 532 R HN 0.253 nan 8.270 nan 0.000 0.429 533 K N 0.560 120.913 120.400 -0.077 0.000 2.034 533 K HA -0.222 4.098 4.320 -0.000 0.000 0.214 533 K C 2.181 178.661 176.600 -0.201 0.000 1.051 533 K CA 1.802 58.087 56.287 -0.003 0.000 0.931 533 K CB -0.533 32.088 32.500 0.201 0.000 0.715 533 K HN 0.176 nan 8.250 nan 0.000 0.446 534 L N 1.666 122.530 121.223 -0.599 0.000 2.081 534 L HA -0.221 4.119 4.340 -0.000 0.000 0.212 534 L C 2.054 178.584 176.870 -0.567 0.000 1.080 534 L CA 1.931 56.087 54.840 -1.141 0.000 0.754 534 L CB -0.777 40.558 42.059 -1.207 0.000 0.893 534 L HN 0.173 nan 8.230 nan 0.000 0.433 535 T N 0.035 114.380 114.554 -0.349 0.000 2.520 535 T HA -0.118 4.232 4.350 -0.000 0.000 0.258 535 T C 0.810 175.405 174.700 -0.175 0.000 1.125 535 T CA 0.716 62.674 62.100 -0.236 0.000 1.206 535 T CB -0.546 68.217 68.868 -0.174 0.000 0.864 535 T HN 0.249 nan 8.240 nan 0.000 0.400 536 L N 2.116 123.274 121.223 -0.108 0.000 4.444 536 L HA -0.262 4.078 4.340 -0.000 0.000 0.550 536 L C 1.727 178.575 176.870 -0.036 0.000 1.072 536 L CA 0.013 54.827 54.840 -0.044 0.000 0.526 536 L CB 0.037 42.097 42.059 0.000 0.000 0.633 536 L HN 0.307 nan 8.230 nan 0.000 1.083 537 R N 2.192 122.687 120.500 -0.008 0.000 2.140 537 R HA -0.248 4.092 4.340 -0.000 0.000 0.250 537 R C 1.418 177.809 176.300 0.152 0.000 1.150 537 R CA 2.163 58.269 56.100 0.010 0.000 0.966 537 R CB -0.285 30.051 30.300 0.060 0.000 0.869 537 R HN 0.705 nan 8.270 nan 0.000 0.445 538 D N -0.011 120.502 120.400 0.189 0.000 2.407 538 D HA -0.054 4.586 4.640 -0.000 0.000 0.234 538 D C -0.603 175.912 176.300 0.360 0.000 1.029 538 D CA 0.725 54.891 54.000 0.276 0.000 0.937 538 D CB 0.203 41.092 40.800 0.148 0.000 0.882 538 D HN 0.035 nan 8.370 nan 0.000 0.531 539 T N 0.329 115.061 114.554 0.296 0.000 2.786 539 T HA 0.428 4.778 4.350 -0.000 0.000 0.283 539 T C -0.820 174.026 174.700 0.242 0.000 0.992 539 T CA -0.555 61.717 62.100 0.286 0.000 0.954 539 T CB 0.692 69.609 68.868 0.083 0.000 0.934 539 T HN -0.152 nan 8.240 nan 0.000 0.440 540 F N 2.092 122.088 119.950 0.076 0.000 2.611 540 F HA 0.758 5.285 4.527 -0.000 0.000 0.324 540 F C -0.112 175.776 175.800 0.147 0.000 1.061 540 F CA -1.658 56.395 58.000 0.089 0.000 0.954 540 F CB 1.425 40.463 39.000 0.063 0.000 1.301 540 F HN 0.324 nan 8.300 nan 0.000 0.482 541 I N 1.006 121.796 120.570 0.367 0.000 2.607 541 I HA 0.254 4.424 4.170 -0.000 0.000 0.290 541 I C -0.578 175.784 176.117 0.408 0.000 1.129 541 I CA -0.843 60.645 61.300 0.313 0.000 1.042 541 I CB 2.251 40.390 38.000 0.232 0.000 1.242 541 I HN 0.619 nan 8.210 nan 0.000 0.421 542 E N 5.032 125.415 120.200 0.305 0.000 2.376 542 E HA 0.110 4.460 4.350 -0.000 0.000 0.254 542 E C 0.776 177.535 176.600 0.265 0.000 1.213 542 E CA -0.643 55.972 56.400 0.359 0.000 0.945 542 E CB 1.412 31.234 29.700 0.203 0.000 1.057 542 E HN 0.491 nan 8.360 nan 0.000 0.479 543 L N 1.637 123.062 121.223 0.336 0.000 1.990 543 L HA -0.275 4.065 4.340 -0.000 0.000 0.213 543 L C 2.039 178.836 176.870 -0.121 0.000 1.072 543 L CA 2.814 57.650 54.840 -0.008 0.000 0.755 543 L CB -1.055 41.124 42.059 0.200 0.000 0.889 543 L HN 0.837 nan 8.230 nan 0.000 0.432 544 D N -1.011 119.376 120.400 -0.021 0.000 2.126 544 D HA -0.350 4.290 4.640 -0.000 0.000 0.190 544 D C 1.990 178.244 176.300 -0.076 0.000 1.001 544 D CA 2.257 56.235 54.000 -0.037 0.000 0.841 544 D CB -0.618 40.177 40.800 -0.007 0.000 0.949 544 D HN 0.657 nan 8.370 nan 0.000 0.446 545 Q N 0.109 119.857 119.800 -0.087 0.000 2.062 545 Q HA -0.033 4.307 4.340 -0.000 0.000 0.196 545 Q C 2.550 178.463 176.000 -0.144 0.000 0.967 545 Q CA 0.928 56.664 55.803 -0.111 0.000 0.832 545 Q CB 0.095 28.761 28.738 -0.120 0.000 0.899 545 Q HN 0.165 nan 8.270 nan 0.000 0.442 546 V N 1.321 121.086 119.914 -0.248 0.000 2.370 546 V HA -0.328 3.792 4.120 -0.000 0.000 0.252 546 V C 2.246 178.076 176.094 -0.440 0.000 1.068 546 V CA 1.670 63.707 62.300 -0.438 0.000 1.061 546 V CB -0.597 30.649 31.823 -0.963 0.000 0.656 546 V HN 0.427 nan 8.190 nan 0.000 0.455 547 L N -0.240 120.758 121.223 -0.374 0.000 2.046 547 L HA -0.157 4.182 4.340 -0.000 0.000 0.208 547 L C 2.488 179.244 176.870 -0.191 0.000 1.077 547 L CA 1.580 56.236 54.840 -0.307 0.000 0.747 547 L CB -0.755 41.188 42.059 -0.193 0.000 0.896 547 L HN 0.414 nan 8.230 nan 0.000 0.432 548 N N -0.127 118.528 118.700 -0.073 0.000 2.188 548 N HA -0.139 4.601 4.740 -0.000 0.000 0.184 548 N C 1.929 177.467 175.510 0.046 0.000 1.018 548 N CA 1.291 54.370 53.050 0.048 0.000 0.858 548 N CB -0.078 38.486 38.487 0.128 0.000 0.989 548 N HN 0.330 nan 8.380 nan 0.000 0.426 549 M N 0.690 120.309 119.600 0.033 0.000 2.059 549 M HA -0.130 4.350 4.480 -0.000 0.000 0.259 549 M C 2.187 178.435 176.300 -0.087 0.000 1.072 549 M CA 1.303 56.627 55.300 0.041 0.000 1.117 549 M CB -0.484 32.114 32.600 -0.004 0.000 1.320 549 M HN 0.067 nan 8.290 nan 0.000 0.408 550 L N -1.070 119.952 121.223 -0.336 0.000 2.021 550 L HA -0.308 4.032 4.340 -0.000 0.000 0.215 550 L C 2.640 179.263 176.870 -0.411 0.000 1.074 550 L CA 1.640 56.059 54.840 -0.703 0.000 0.760 550 L CB -1.002 40.206 42.059 -1.418 0.000 0.889 550 L HN 0.296 nan 8.230 nan 0.000 0.433 551 Y N -0.611 119.490 120.300 -0.331 0.000 2.165 551 Y HA -0.285 4.265 4.550 -0.000 0.000 0.286 551 Y C 2.148 178.112 175.900 0.106 0.000 1.155 551 Y CA 1.070 59.162 58.100 -0.015 0.000 1.164 551 Y CB -0.737 37.745 38.460 0.036 0.000 0.978 551 Y HN 0.123 nan 8.280 nan 0.000 0.513 552 W N 0.328 121.496 121.300 -0.219 0.000 2.424 552 W HA -0.062 4.598 4.660 -0.000 0.000 0.264 552 W C 0.401 176.805 176.519 -0.191 0.000 1.229 552 W CA 1.153 58.314 57.345 -0.307 0.000 1.208 552 W CB -0.576 28.716 29.460 -0.281 0.000 1.127 552 W HN -0.283 nan 8.180 nan 0.000 0.588 553 V N 3.905 123.870 119.914 0.084 0.000 2.353 553 V HA 0.032 4.152 4.120 -0.000 0.000 0.264 553 V C -0.641 175.503 176.094 0.083 0.000 1.049 553 V CA -1.312 61.035 62.300 0.079 0.000 0.896 553 V CB 0.651 32.536 31.823 0.103 0.000 1.025 553 V HN -0.142 nan 8.190 nan 0.000 0.475 554 P HA -0.232 nan 4.420 nan 0.000 0.219 554 P C 0.780 178.124 177.300 0.073 0.000 1.158 554 P CA 1.735 64.831 63.100 -0.006 0.000 0.895 554 P CB 0.438 32.114 31.700 -0.040 0.000 0.792 555 D N -1.980 118.478 120.400 0.097 0.000 2.137 555 D HA -0.099 4.541 4.640 -0.000 0.000 0.202 555 D C 0.780 177.174 176.300 0.156 0.000 0.970 555 D CA 0.084 54.144 54.000 0.100 0.000 0.837 555 D CB -1.073 39.776 40.800 0.081 0.000 0.981 555 D HN 0.154 nan 8.370 nan 0.000 0.475 556 W N 4.937 126.256 121.300 0.032 0.000 2.473 556 W HA -0.221 4.439 4.660 -0.000 0.000 0.323 556 W C 0.957 177.502 176.519 0.042 0.000 0.735 556 W CA 0.240 57.611 57.345 0.044 0.000 0.712 556 W CB -0.295 29.208 29.460 0.071 0.000 0.959 556 W HN 0.152 nan 8.180 nan 0.000 0.511 557 D N 4.220 124.394 120.400 -0.377 0.000 2.411 557 D HA -0.086 4.554 4.640 -0.000 0.000 0.226 557 D C 1.637 177.420 176.300 -0.861 0.000 0.988 557 D CA 0.969 54.694 54.000 -0.457 0.000 0.938 557 D CB -0.554 40.098 40.800 -0.247 0.000 0.883 557 D HN 0.908 nan 8.370 nan 0.000 0.525 558 G N -0.020 107.627 108.800 -1.922 0.000 2.198 558 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.260 558 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.260 558 G C 0.048 174.092 174.900 -1.427 0.000 1.025 558 G CA 0.255 44.032 45.100 -2.206 0.000 0.769 558 G HN 0.414 nan 8.290 nan 0.000 0.507 559 V N 2.219 121.523 119.914 -1.017 0.000 2.445 559 V HA 0.420 4.540 4.120 -0.000 0.000 0.283 559 V C 0.950 177.295 176.094 0.418 0.000 1.014 559 V CA -0.746 61.492 62.300 -0.103 0.000 0.852 559 V CB 1.240 33.002 31.823 -0.100 0.000 1.021 559 V HN 0.647 nan 8.190 nan 0.000 0.435 560 I N 3.893 124.816 120.570 0.587 0.000 2.880 560 I HA 0.269 4.439 4.170 -0.000 0.000 0.296 560 I C -1.774 174.539 176.117 0.326 0.000 1.220 560 I CA -0.693 60.876 61.300 0.448 0.000 1.435 560 I CB 0.261 38.436 38.000 0.291 0.000 1.339 560 I HN 0.397 nan 8.210 nan 0.000 0.583 561 P HA 0.233 nan 4.420 nan 0.000 0.284 561 P C -0.785 176.742 177.300 0.379 0.000 1.258 561 P CA -0.434 62.843 63.100 0.295 0.000 0.824 561 P CB 1.196 33.057 31.700 0.269 0.000 1.038 562 T N 3.251 117.943 114.554 0.228 0.000 2.799 562 T HA 0.227 4.577 4.350 -0.000 0.000 0.296 562 T C -2.144 172.564 174.700 0.013 0.000 0.947 562 T CA -0.760 61.423 62.100 0.139 0.000 1.141 562 T CB -0.675 68.229 68.868 0.060 0.000 0.891 562 T HN 0.331 nan 8.240 nan 0.000 0.533 563 P HA 0.124 nan 4.420 nan 0.000 0.264 563 P C 0.405 177.435 177.300 -0.449 0.000 1.183 563 P CA -0.138 62.428 63.100 -0.890 0.000 0.763 563 P CB 0.393 31.378 31.700 -1.191 0.000 0.807 564 A N 4.109 126.694 122.820 -0.392 0.000 2.119 564 A HA 0.002 4.322 4.320 -0.000 0.000 0.217 564 A C 0.940 178.433 177.584 -0.152 0.000 1.153 564 A CA 1.024 52.944 52.037 -0.195 0.000 0.692 564 A CB -0.521 18.386 19.000 -0.155 0.000 0.799 564 A HN 0.545 nan 8.150 nan 0.000 0.458 565 I N 0.415 120.856 120.570 -0.215 0.000 2.448 565 I HA 0.272 4.442 4.170 -0.000 0.000 0.281 565 I C 0.050 176.053 176.117 -0.190 0.000 1.027 565 I CA -0.193 61.031 61.300 -0.128 0.000 1.111 565 I CB 1.672 39.659 38.000 -0.021 0.000 1.236 565 I HN 0.174 nan 8.210 nan 0.000 0.452 566 I N 4.797 125.285 120.570 -0.135 0.000 3.941 566 I HA 0.021 4.191 4.170 -0.000 0.000 0.321 566 I C 2.121 178.196 176.117 -0.070 0.000 1.284 566 I CA -0.068 61.161 61.300 -0.117 0.000 1.226 566 I CB -0.207 37.740 38.000 -0.087 0.000 1.045 566 I HN 0.566 nan 8.210 nan 0.000 0.420 567 K N 2.695 123.060 120.400 -0.058 0.000 2.269 567 K HA -0.223 4.097 4.320 -0.000 0.000 0.230 567 K C -0.651 175.928 176.600 -0.034 0.000 0.812 567 K CA 2.703 58.966 56.287 -0.040 0.000 0.996 567 K CB -1.067 31.411 32.500 -0.036 0.000 0.541 567 K HN 0.100 nan 8.250 nan 0.000 0.801 568 P HA 0.024 nan 4.420 nan 0.000 0.212 568 P C -0.426 176.861 177.300 -0.022 0.000 1.171 568 P CA 0.898 63.983 63.100 -0.025 0.000 0.892 568 P CB 0.101 31.785 31.700 -0.027 0.000 0.769 569 K N 1.354 121.739 120.400 -0.024 0.000 2.265 569 K HA 0.308 4.628 4.320 -0.000 0.000 0.267 569 K C -2.492 174.086 176.600 -0.036 0.000 0.994 569 K CA -2.584 53.697 56.287 -0.011 0.000 0.860 569 K CB 1.125 33.627 32.500 0.004 0.000 1.099 569 K HN -0.050 nan 8.250 nan 0.000 0.448 570 P HA 0.026 nan 4.420 nan 0.000 0.266 570 P C -1.047 176.110 177.300 -0.239 0.000 1.215 570 P CA -0.228 62.749 63.100 -0.206 0.000 0.763 570 P CB 0.684 32.266 31.700 -0.197 0.000 0.806 571 L N 4.280 125.305 121.223 -0.329 0.000 2.279 571 L HA 0.639 4.979 4.340 -0.000 0.000 0.262 571 L C -0.126 176.541 176.870 -0.339 0.000 1.019 571 L CA -0.534 54.264 54.840 -0.070 0.000 0.823 571 L CB 1.263 43.453 42.059 0.219 0.000 1.358 571 L HN 0.442 nan 8.230 nan 0.000 0.432 572 W N -0.110 121.238 121.300 0.080 0.000 3.032 572 W HA 0.581 5.241 4.660 -0.000 0.000 0.335 572 W C -0.515 175.911 176.519 -0.155 0.000 1.154 572 W CA -0.672 56.650 57.345 -0.038 0.000 1.204 572 W CB 2.273 31.710 29.460 -0.038 0.000 1.416 572 W HN 0.515 nan 8.180 nan 0.000 0.521 573 S N -0.282 115.348 115.700 -0.117 0.000 2.593 573 S HA 0.578 5.048 4.470 -0.000 0.000 0.297 573 S C 0.887 175.357 174.600 -0.216 0.000 1.112 573 S CA 0.072 58.061 58.200 -0.352 0.000 1.043 573 S CB 1.857 64.703 63.200 -0.590 0.000 1.054 573 S HN 0.653 nan 8.310 nan 0.000 0.516 574 G N 2.225 110.854 108.800 -0.285 0.000 2.672 574 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.218 574 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.218 574 G C 1.196 175.942 174.900 -0.257 0.000 1.238 574 G CA 1.340 46.227 45.100 -0.355 0.000 0.791 574 G HN 0.870 nan 8.290 nan 0.000 0.606 575 K N 0.065 120.331 120.400 -0.224 0.000 2.052 575 K HA -0.273 4.046 4.320 -0.000 0.000 0.215 575 K C 2.554 179.080 176.600 -0.123 0.000 1.053 575 K CA 1.718 57.906 56.287 -0.167 0.000 0.934 575 K CB -0.473 31.939 32.500 -0.145 0.000 0.717 575 K HN 0.414 nan 8.250 nan 0.000 0.450 576 Q N 0.491 120.228 119.800 -0.105 0.000 1.991 576 Q HA -0.244 4.096 4.340 -0.000 0.000 0.213 576 Q C 2.365 178.361 176.000 -0.006 0.000 1.022 576 Q CA 2.595 58.382 55.803 -0.026 0.000 0.877 576 Q CB -0.368 28.393 28.738 0.040 0.000 0.970 576 Q HN 0.583 nan 8.270 nan 0.000 0.414 577 I N -1.972 118.578 120.570 -0.033 0.000 2.333 577 I HA -0.142 4.027 4.170 -0.000 0.000 0.246 577 I C 2.336 178.402 176.117 -0.084 0.000 1.106 577 I CA 0.551 61.811 61.300 -0.068 0.000 1.411 577 I CB -0.540 37.381 38.000 -0.132 0.000 1.082 577 I HN 0.137 nan 8.210 nan 0.000 0.420 578 L N 1.786 122.936 121.223 -0.120 0.000 2.211 578 L HA -0.221 4.119 4.340 -0.000 0.000 0.216 578 L C 2.247 179.070 176.870 -0.078 0.000 1.092 578 L CA 1.927 56.698 54.840 -0.116 0.000 0.767 578 L CB -0.703 41.258 42.059 -0.162 0.000 0.894 578 L HN 0.267 nan 8.230 nan 0.000 0.437 579 S N -1.628 114.032 115.700 -0.066 0.000 2.561 579 S HA -0.012 4.458 4.470 -0.000 0.000 0.225 579 S C 1.774 176.368 174.600 -0.011 0.000 0.977 579 S CA 0.797 58.970 58.200 -0.046 0.000 0.926 579 S CB -0.209 62.964 63.200 -0.044 0.000 0.769 579 S HN 0.375 nan 8.310 nan 0.000 0.533 580 V N 1.452 121.367 119.914 0.001 0.000 2.809 580 V HA -0.059 4.061 4.120 -0.000 0.000 0.256 580 V C 2.406 178.533 176.094 0.055 0.000 1.080 580 V CA 1.450 63.779 62.300 0.048 0.000 1.102 580 V CB -1.020 30.823 31.823 0.035 0.000 0.705 580 V HN 0.550 nan 8.190 nan 0.000 0.475 581 A N -0.378 122.453 122.820 0.019 0.000 1.984 581 A HA 0.222 4.542 4.320 -0.000 0.000 0.214 581 A C 1.188 178.777 177.584 0.009 0.000 1.173 581 A CA 0.250 52.300 52.037 0.022 0.000 0.673 581 A CB -0.185 18.818 19.000 0.005 0.000 0.830 581 A HN 0.461 nan 8.150 nan 0.000 0.453 582 I N 2.957 123.520 120.570 -0.011 0.000 2.505 582 I HA 0.087 4.256 4.170 -0.000 0.000 0.287 582 I C -1.443 174.672 176.117 -0.003 0.000 1.104 582 I CA -1.781 59.505 61.300 -0.022 0.000 1.387 582 I CB 0.740 38.712 38.000 -0.047 0.000 1.404 582 I HN 0.242 nan 8.210 nan 0.000 0.528 583 P HA -0.048 nan 4.420 nan 0.000 0.304 583 P C -0.672 176.636 177.300 0.012 0.000 1.332 583 P CA 0.157 63.269 63.100 0.021 0.000 0.807 583 P CB 0.488 32.206 31.700 0.029 0.000 1.545 584 N N -2.192 116.523 118.700 0.025 0.000 2.362 584 N HA 0.356 5.096 4.740 -0.000 0.000 0.299 584 N C 0.995 176.538 175.510 0.053 0.000 1.170 584 N CA 0.194 53.259 53.050 0.025 0.000 0.825 584 N CB 1.185 39.693 38.487 0.035 0.000 1.299 584 N HN 0.760 nan 8.380 nan 0.000 0.502 585 G N 0.026 108.870 108.800 0.073 0.000 2.189 585 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.267 585 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.267 585 G C 0.048 175.115 174.900 0.279 0.000 0.975 585 G CA -0.079 45.158 45.100 0.229 0.000 0.644 585 G HN 0.504 nan 8.290 nan 0.000 0.537 586 I N 2.238 122.843 120.570 0.059 0.000 2.421 586 I HA 0.281 4.451 4.170 -0.000 0.000 0.291 586 I C 0.289 176.354 176.117 -0.086 0.000 1.089 586 I CA -0.181 61.151 61.300 0.052 0.000 1.354 586 I CB -0.155 37.843 38.000 -0.004 0.000 1.413 586 I HN 0.113 nan 8.210 nan 0.000 0.513 587 H N 6.218 125.297 119.070 0.015 0.000 2.469 587 H HA 0.676 5.232 4.556 -0.000 0.000 0.342 587 H C -0.761 174.563 175.328 -0.007 0.000 1.115 587 H CA -0.664 55.390 56.048 0.010 0.000 1.204 587 H CB 2.029 31.811 29.762 0.032 0.000 1.492 587 H HN 0.353 nan 8.280 nan 0.000 0.499 588 L N 2.114 123.369 121.223 0.053 0.000 2.455 588 L HA 0.392 4.732 4.340 -0.000 0.000 0.264 588 L C -1.235 175.623 176.870 -0.021 0.000 0.968 588 L CA -0.330 54.511 54.840 0.002 0.000 0.827 588 L CB 2.116 44.138 42.059 -0.062 0.000 1.317 588 L HN 0.661 nan 8.230 nan 0.000 0.407 589 Q N 3.600 123.406 119.800 0.010 0.000 2.290 589 Q HA 0.446 4.786 4.340 -0.000 0.000 0.269 589 Q C -0.328 175.691 176.000 0.033 0.000 1.016 589 Q CA -0.491 55.333 55.803 0.036 0.000 0.754 589 Q CB 3.103 31.956 28.738 0.191 0.000 1.247 589 Q HN 0.645 nan 8.270 nan 0.000 0.451 590 R N 2.094 122.520 120.500 -0.123 0.000 1.799 590 R HA 0.340 4.680 4.340 -0.000 0.000 0.150 590 R C -0.756 175.622 176.300 0.130 0.000 1.953 590 R CA 0.393 56.453 56.100 -0.068 0.000 1.598 590 R CB 0.585 30.770 30.300 -0.191 0.000 1.119 590 R HN 0.594 nan 8.270 nan 0.000 0.479 591 F N 1.029 121.002 119.950 0.037 0.000 2.213 591 F HA -0.197 4.330 4.527 -0.000 0.000 0.515 591 F C 0.115 175.935 175.800 0.034 0.000 1.275 591 F CA 0.014 58.049 58.000 0.059 0.000 1.646 591 F CB -0.995 38.037 39.000 0.054 0.000 2.612 591 F HN 0.453 nan 8.300 nan 0.000 0.729 592 D N 1.320 121.795 120.400 0.126 0.000 2.089 592 D HA -0.003 4.637 4.640 -0.000 0.000 0.246 592 D C 1.571 177.930 176.300 0.097 0.000 1.015 592 D CA 1.428 55.479 54.000 0.084 0.000 0.917 592 D CB 0.225 41.049 40.800 0.040 0.000 1.015 592 D HN 0.669 nan 8.370 nan 0.000 0.425 593 E N -0.316 119.935 120.200 0.084 0.000 2.645 593 E HA 0.197 4.547 4.350 -0.000 0.000 0.198 593 E C 1.432 178.085 176.600 0.089 0.000 1.091 593 E CA -0.039 56.405 56.400 0.073 0.000 1.096 593 E CB -0.152 29.575 29.700 0.045 0.000 2.013 593 E HN 0.129 nan 8.360 nan 0.000 0.537 594 G N 2.533 111.376 108.800 0.071 0.000 3.414 594 G HA2 0.040 4.000 3.960 -0.000 0.000 0.258 594 G HA3 0.040 4.000 3.960 -0.000 0.000 0.258 594 G C -0.071 174.886 174.900 0.094 0.000 1.348 594 G CA -0.017 45.125 45.100 0.070 0.000 1.319 594 G HN 0.001 nan 8.290 nan 0.000 0.555 595 T N 0.813 115.459 114.554 0.154 0.000 2.919 595 T HA 0.399 4.749 4.350 -0.000 0.000 0.302 595 T C 0.994 175.847 174.700 0.255 0.000 1.031 595 T CA 0.531 62.746 62.100 0.192 0.000 1.127 595 T CB 1.184 70.210 68.868 0.265 0.000 0.952 595 T HN 0.337 nan 8.240 nan 0.000 0.540 596 T N -0.103 114.539 114.554 0.146 0.000 4.242 596 T HA 0.335 4.685 4.350 -0.000 0.000 0.288 596 T C 0.729 175.450 174.700 0.035 0.000 0.931 596 T CA -0.622 61.567 62.100 0.148 0.000 1.071 596 T CB -0.588 68.309 68.868 0.049 0.000 1.054 596 T HN 0.400 nan 8.240 nan 0.000 0.481 597 L N -1.180 120.046 121.223 0.004 0.000 5.241 597 L HA -0.205 4.135 4.340 -0.000 0.000 0.408 597 L C 0.987 177.542 176.870 -0.526 0.000 0.834 597 L CA 1.981 56.728 54.840 -0.154 0.000 1.936 597 L CB -1.177 40.903 42.059 0.035 0.000 1.221 597 L HN 0.591 nan 8.230 nan 0.000 0.617 598 L N 0.754 121.736 121.223 -0.401 0.000 3.288 598 L HA 0.370 4.710 4.340 -0.000 0.000 0.293 598 L C 0.881 177.543 176.870 -0.347 0.000 1.294 598 L CA 0.170 54.777 54.840 -0.389 0.000 1.006 598 L CB 0.378 42.326 42.059 -0.185 0.000 1.407 598 L HN 0.357 nan 8.230 nan 0.000 0.592 599 S N 0.315 115.742 115.700 -0.454 0.000 3.332 599 S HA -0.049 4.421 4.470 -0.000 0.000 0.395 599 S C -1.305 173.235 174.600 -0.100 0.000 1.180 599 S CA -0.461 57.633 58.200 -0.176 0.000 0.985 599 S CB 0.077 63.287 63.200 0.017 0.000 0.694 599 S HN 0.378 nan 8.310 nan 0.000 0.502 600 P HA -0.050 nan 4.420 nan 0.000 0.209 600 P C 0.570 177.876 177.300 0.009 0.000 1.203 600 P CA 1.062 64.151 63.100 -0.017 0.000 0.916 600 P CB -0.058 31.638 31.700 -0.006 0.000 0.763 601 K N 0.229 120.641 120.400 0.021 0.000 2.687 601 K HA -0.048 4.272 4.320 -0.000 0.000 0.197 601 K C -0.015 176.611 176.600 0.042 0.000 1.018 601 K CA 0.440 56.745 56.287 0.030 0.000 1.035 601 K CB -0.894 31.623 32.500 0.028 0.000 0.834 601 K HN 0.107 nan 8.250 nan 0.000 0.496 602 D N 0.189 120.626 120.400 0.062 0.000 2.945 602 D HA -0.180 4.460 4.640 -0.000 0.000 0.225 602 D C 0.307 176.666 176.300 0.099 0.000 1.158 602 D CA 0.648 54.712 54.000 0.107 0.000 0.805 602 D CB -1.271 39.564 40.800 0.059 0.000 1.098 602 D HN 0.324 nan 8.370 nan 0.000 0.426 603 N N 0.502 119.259 118.700 0.095 0.000 2.018 603 N HA -0.119 4.621 4.740 -0.000 0.000 0.197 603 N C 1.540 177.071 175.510 0.035 0.000 1.071 603 N CA 1.859 54.949 53.050 0.067 0.000 0.887 603 N CB -0.653 37.880 38.487 0.077 0.000 1.077 603 N HN 0.401 nan 8.380 nan 0.000 0.469 604 G N -0.474 108.360 108.800 0.056 0.000 2.504 604 G HA2 0.245 4.205 3.960 -0.000 0.000 0.291 604 G HA3 0.245 4.205 3.960 -0.000 0.000 0.291 604 G C -0.324 174.339 174.900 -0.395 0.000 1.345 604 G CA 0.001 45.012 45.100 -0.148 0.000 1.090 604 G HN 0.333 nan 8.290 nan 0.000 0.591 605 M N -0.581 118.643 119.600 -0.627 0.000 2.206 605 M HA 0.517 4.997 4.480 -0.000 0.000 0.272 605 M C -1.787 174.072 176.300 -0.735 0.000 1.012 605 M CA -0.655 54.232 55.300 -0.689 0.000 0.986 605 M CB 1.828 34.216 32.600 -0.354 0.000 1.740 605 M HN 0.484 nan 8.290 nan 0.000 0.472 606 L N 7.024 127.667 121.223 -0.967 0.000 2.349 606 L HA 0.836 5.175 4.340 -0.000 0.000 0.278 606 L C -1.974 174.716 176.870 -0.301 0.000 0.996 606 L CA -0.253 54.282 54.840 -0.509 0.000 0.825 606 L CB 1.406 43.275 42.059 -0.316 0.000 1.243 606 L HN 0.772 nan 8.230 nan 0.000 0.412 607 I N 6.641 127.102 120.570 -0.182 0.000 2.468 607 I HA 0.459 4.629 4.170 -0.000 0.000 0.285 607 I C -0.764 175.254 176.117 -0.166 0.000 1.039 607 I CA -0.337 60.870 61.300 -0.155 0.000 1.074 607 I CB 1.709 39.617 38.000 -0.153 0.000 1.228 607 I HN 0.490 nan 8.210 nan 0.000 0.436 608 I N 4.772 125.239 120.570 -0.171 0.000 2.530 608 I HA 0.282 4.451 4.170 -0.000 0.000 0.297 608 I C 0.483 176.410 176.117 -0.318 0.000 1.011 608 I CA -0.299 60.823 61.300 -0.296 0.000 1.107 608 I CB 1.784 39.741 38.000 -0.073 0.000 1.285 608 I HN 0.699 nan 8.210 nan 0.000 0.436 609 D N 4.109 124.173 120.400 -0.560 0.000 3.067 609 D HA -0.215 4.425 4.640 -0.000 0.000 0.216 609 D C 0.779 176.982 176.300 -0.161 0.000 1.162 609 D CA 1.751 55.608 54.000 -0.238 0.000 0.960 609 D CB -0.668 40.096 40.800 -0.060 0.000 1.129 609 D HN 1.205 nan 8.370 nan 0.000 0.408 610 G N -0.949 107.724 108.800 -0.212 0.000 2.207 610 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.216 610 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.216 610 G C -0.451 174.399 174.900 -0.084 0.000 1.053 610 G CA 0.232 45.262 45.100 -0.116 0.000 0.764 610 G HN 0.435 nan 8.290 nan 0.000 0.495 611 Q N -0.384 119.357 119.800 -0.098 0.000 2.323 611 Q HA 0.478 4.818 4.340 -0.000 0.000 0.271 611 Q C 0.377 176.327 176.000 -0.083 0.000 1.048 611 Q CA -0.847 54.916 55.803 -0.067 0.000 0.792 611 Q CB 1.759 30.473 28.738 -0.040 0.000 1.280 611 Q HN 0.420 nan 8.270 nan 0.000 0.441 612 I N 3.995 124.514 120.570 -0.085 0.000 2.460 612 I HA -0.031 4.139 4.170 -0.000 0.000 0.297 612 I C 1.363 177.435 176.117 -0.075 0.000 1.139 612 I CA 0.243 61.477 61.300 -0.109 0.000 1.340 612 I CB 0.079 38.006 38.000 -0.122 0.000 1.444 612 I HN 0.592 nan 8.210 nan 0.000 0.557 613 I N 6.971 127.504 120.570 -0.062 0.000 2.617 613 I HA -0.044 4.126 4.170 -0.000 0.000 0.256 613 I C 0.362 176.584 176.117 0.175 0.000 1.167 613 I CA 0.729 62.057 61.300 0.047 0.000 1.469 613 I CB -0.139 37.925 38.000 0.108 0.000 1.098 613 I HN 0.564 nan 8.210 nan 0.000 0.436 614 F N -0.533 119.364 119.950 -0.088 0.000 2.843 614 F HA 0.583 5.110 4.527 -0.000 0.000 0.323 614 F C -0.620 175.116 175.800 -0.105 0.000 1.142 614 F CA -0.578 57.366 58.000 -0.092 0.000 0.925 614 F CB -0.021 38.928 39.000 -0.085 0.000 1.277 614 F HN 0.012 nan 8.300 nan 0.000 0.446 615 G N 0.797 109.657 108.800 0.101 0.000 2.612 615 G HA2 0.378 4.338 3.960 -0.000 0.000 0.686 615 G HA3 0.378 4.338 3.960 -0.000 0.000 0.686 615 G C -1.904 172.940 174.900 -0.093 0.000 1.274 615 G CA -0.558 44.512 45.100 -0.050 0.000 0.849 615 G HN 1.501 nan 8.290 nan 0.000 0.595 616 V N -0.361 119.503 119.914 -0.084 0.000 2.837 616 V HA 0.702 4.822 4.120 -0.000 0.000 0.310 616 V C 0.794 176.819 176.094 -0.115 0.000 1.059 616 V CA -0.729 61.519 62.300 -0.088 0.000 1.004 616 V CB 1.684 33.474 31.823 -0.055 0.000 1.045 616 V HN 0.947 nan 8.190 nan 0.000 0.465 617 V N 3.081 122.925 119.914 -0.116 0.000 2.513 617 V HA 0.832 4.952 4.120 -0.000 0.000 0.299 617 V C -0.359 175.678 176.094 -0.095 0.000 1.035 617 V CA -0.251 61.978 62.300 -0.118 0.000 0.889 617 V CB 1.489 33.233 31.823 -0.132 0.000 0.988 617 V HN 1.188 nan 8.190 nan 0.000 0.440 618 E N 1.878 122.029 120.200 -0.082 0.000 2.368 618 E HA 0.252 4.602 4.350 -0.000 0.000 0.267 618 E C 0.340 176.909 176.600 -0.052 0.000 1.216 618 E CA -0.826 55.536 56.400 -0.063 0.000 0.891 618 E CB 0.361 30.031 29.700 -0.051 0.000 1.524 618 E HN 0.180 nan 8.360 nan 0.000 0.445 619 K N 0.140 120.519 120.400 -0.036 0.000 2.227 619 K HA -0.315 4.005 4.320 -0.000 0.000 0.208 619 K C 1.192 177.778 176.600 -0.023 0.000 1.045 619 K CA 2.404 58.677 56.287 -0.023 0.000 0.931 619 K CB -0.179 32.316 32.500 -0.009 0.000 0.721 619 K HN 0.415 nan 8.250 nan 0.000 0.469 620 K N -1.228 119.154 120.400 -0.029 0.000 2.155 620 K HA -0.039 4.281 4.320 -0.000 0.000 0.203 620 K C 1.912 178.488 176.600 -0.040 0.000 1.052 620 K CA 1.646 57.916 56.287 -0.028 0.000 0.948 620 K CB 0.177 32.659 32.500 -0.031 0.000 0.728 620 K HN 0.199 nan 8.250 nan 0.000 0.448 621 T N -0.310 114.209 114.554 -0.059 0.000 3.004 621 T HA -0.007 4.343 4.350 -0.000 0.000 0.243 621 T C 1.685 176.340 174.700 -0.076 0.000 1.020 621 T CA 0.345 62.401 62.100 -0.075 0.000 1.145 621 T CB 0.119 68.925 68.868 -0.103 0.000 0.876 621 T HN -0.031 nan 8.240 nan 0.000 0.449 622 V N 1.581 121.445 119.914 -0.083 0.000 3.621 622 V HA 0.443 4.563 4.120 -0.000 0.000 0.285 622 V C 1.186 177.230 176.094 -0.085 0.000 1.346 622 V CA 0.140 62.377 62.300 -0.104 0.000 1.104 622 V CB -0.673 31.081 31.823 -0.116 0.000 0.913 622 V HN 0.491 nan 8.190 nan 0.000 0.432 623 G N 0.180 108.952 108.800 -0.046 0.000 2.516 623 G HA2 0.197 4.157 3.960 -0.000 0.000 0.276 623 G HA3 0.197 4.157 3.960 -0.000 0.000 0.276 623 G C 0.791 175.692 174.900 0.002 0.000 1.390 623 G CA 0.392 45.483 45.100 -0.016 0.000 1.050 623 G HN 0.619 nan 8.290 nan 0.000 0.519 624 S N -0.758 114.958 115.700 0.027 0.000 2.768 624 S HA 0.224 4.694 4.470 -0.000 0.000 0.246 624 S C 1.044 175.667 174.600 0.039 0.000 1.006 624 S CA 0.201 58.426 58.200 0.042 0.000 1.075 624 S CB -0.969 62.262 63.200 0.052 0.000 0.786 624 S HN 0.886 nan 8.310 nan 0.000 0.468 625 S N 1.095 116.815 115.700 0.034 0.000 2.587 625 S HA 0.195 4.665 4.470 -0.000 0.000 0.260 625 S C 1.085 175.736 174.600 0.086 0.000 1.353 625 S CA -0.564 57.661 58.200 0.040 0.000 0.995 625 S CB 0.345 63.557 63.200 0.019 0.000 0.912 625 S HN 0.430 nan 8.310 nan 0.000 0.568 626 N N 1.401 120.152 118.700 0.084 0.000 2.048 626 N HA -0.050 4.690 4.740 -0.000 0.000 0.193 626 N C 1.831 177.423 175.510 0.136 0.000 1.061 626 N CA 1.538 54.680 53.050 0.154 0.000 0.849 626 N CB -1.103 37.411 38.487 0.046 0.000 1.044 626 N HN 0.848 nan 8.380 nan 0.000 0.429 627 G N 0.241 109.051 108.800 0.016 0.000 2.776 627 G HA2 0.068 4.027 3.960 -0.000 0.000 0.209 627 G HA3 0.068 4.027 3.960 -0.000 0.000 0.209 627 G C 0.660 175.555 174.900 -0.007 0.000 1.145 627 G CA 0.284 45.358 45.100 -0.042 0.000 0.791 627 G HN 0.443 nan 8.290 nan 0.000 0.530 628 G N 0.076 108.903 108.800 0.044 0.000 2.349 628 G HA2 0.060 4.019 3.960 -0.000 0.000 0.232 628 G HA3 0.060 4.019 3.960 -0.000 0.000 0.232 628 G C 1.109 176.025 174.900 0.027 0.000 1.240 628 G CA -0.277 44.842 45.100 0.032 0.000 0.870 628 G HN 0.156 nan 8.290 nan 0.000 0.528 629 L N 3.289 124.498 121.223 -0.023 0.000 1.991 629 L HA -0.207 4.133 4.340 -0.000 0.000 0.221 629 L C 2.509 179.368 176.870 -0.018 0.000 1.079 629 L CA 2.550 57.366 54.840 -0.040 0.000 0.778 629 L CB -0.791 41.219 42.059 -0.082 0.000 0.893 629 L HN 0.771 nan 8.230 nan 0.000 0.437 630 I N -0.630 119.913 120.570 -0.045 0.000 2.113 630 I HA -0.433 3.736 4.170 -0.000 0.000 0.242 630 I C 2.660 178.824 176.117 0.078 0.000 1.064 630 I CA 1.993 63.267 61.300 -0.043 0.000 1.320 630 I CB -0.501 37.444 38.000 -0.092 0.000 1.028 630 I HN 0.511 nan 8.210 nan 0.000 0.406 631 H N 0.674 119.742 119.070 -0.004 0.000 2.319 631 H HA -0.163 4.393 4.556 -0.000 0.000 0.297 631 H C 2.134 177.470 175.328 0.013 0.000 1.097 631 H CA 2.479 58.535 56.048 0.013 0.000 1.285 631 H CB -0.529 29.239 29.762 0.010 0.000 1.368 631 H HN 0.304 nan 8.280 nan 0.000 0.495 632 V N 0.138 120.145 119.914 0.154 0.000 2.270 632 V HA -0.229 3.891 4.120 -0.000 0.000 0.245 632 V C 3.007 179.151 176.094 0.084 0.000 1.043 632 V CA 1.479 63.821 62.300 0.071 0.000 1.014 632 V CB -0.946 30.893 31.823 0.028 0.000 0.645 632 V HN 0.242 nan 8.190 nan 0.000 0.447 633 V N 0.795 120.748 119.914 0.064 0.000 2.250 633 V HA -0.374 3.745 4.120 -0.000 0.000 0.253 633 V C 2.563 178.702 176.094 0.074 0.000 1.065 633 V CA 2.888 65.221 62.300 0.054 0.000 1.039 633 V CB -1.728 30.110 31.823 0.026 0.000 0.647 633 V HN 0.706 nan 8.190 nan 0.000 0.446 634 T N -0.248 114.361 114.554 0.092 0.000 2.595 634 T HA -0.229 4.121 4.350 -0.000 0.000 0.264 634 T C 2.014 176.761 174.700 0.079 0.000 1.058 634 T CA 1.541 63.693 62.100 0.087 0.000 1.166 634 T CB -0.350 68.567 68.868 0.083 0.000 0.863 634 T HN 0.255 nan 8.240 nan 0.000 0.415 635 R N 0.928 121.490 120.500 0.104 0.000 2.148 635 R HA -0.122 4.217 4.340 -0.000 0.000 0.230 635 R C 2.525 178.868 176.300 0.073 0.000 1.120 635 R CA 1.847 57.999 56.100 0.088 0.000 0.902 635 R CB -0.990 29.374 30.300 0.106 0.000 0.839 635 R HN 0.354 nan 8.270 nan 0.000 0.431 636 E N 0.342 120.586 120.200 0.074 0.000 2.284 636 E HA -0.177 4.172 4.350 -0.000 0.000 0.200 636 E C 1.015 177.661 176.600 0.076 0.000 1.008 636 E CA 1.542 57.987 56.400 0.075 0.000 0.829 636 E CB 0.210 29.960 29.700 0.084 0.000 0.744 636 E HN 0.095 nan 8.360 nan 0.000 0.491 637 K N -2.194 118.248 120.400 0.070 0.000 4.650 637 K HA 0.479 4.799 4.320 -0.000 0.000 0.256 637 K C 0.650 177.286 176.600 0.059 0.000 1.139 637 K CA 0.542 56.868 56.287 0.065 0.000 1.927 637 K CB -0.248 32.290 32.500 0.062 0.000 2.928 637 K HN 0.014 nan 8.250 nan 0.000 0.661 638 G N 0.741 109.574 108.800 0.055 0.000 2.725 638 G HA2 0.387 4.347 3.960 -0.000 0.000 0.288 638 G HA3 0.387 4.347 3.960 -0.000 0.000 0.288 638 G C -2.422 172.504 174.900 0.044 0.000 1.399 638 G CA -0.874 44.254 45.100 0.047 0.000 0.859 638 G HN -0.019 nan 8.290 nan 0.000 0.479 639 P HA -0.082 nan 4.420 nan 0.000 0.221 639 P C 1.061 178.380 177.300 0.032 0.000 1.150 639 P CA 0.917 64.031 63.100 0.023 0.000 0.800 639 P CB 0.464 32.166 31.700 0.004 0.000 0.787 640 Q N 0.353 120.172 119.800 0.032 0.000 1.917 640 Q HA -0.084 4.256 4.340 -0.000 0.000 0.205 640 Q C 2.455 178.487 176.000 0.052 0.000 0.988 640 Q CA 1.078 56.901 55.803 0.033 0.000 0.851 640 Q CB -1.640 27.114 28.738 0.028 0.000 0.916 640 Q HN 0.062 nan 8.270 nan 0.000 0.424 641 V N 1.297 121.243 119.914 0.054 0.000 2.241 641 V HA -0.429 3.691 4.120 -0.000 0.000 0.256 641 V C 2.549 178.696 176.094 0.088 0.000 1.060 641 V CA 2.356 64.693 62.300 0.062 0.000 1.065 641 V CB -1.435 30.423 31.823 0.058 0.000 0.685 641 V HN 0.633 nan 8.190 nan 0.000 0.467 642 C N 0.342 119.705 119.300 0.104 0.000 2.375 642 C HA -0.269 4.191 4.460 -0.000 0.000 0.274 642 C C 3.070 178.237 174.990 0.294 0.000 1.190 642 C CA 1.476 60.593 59.018 0.164 0.000 1.775 642 C CB -1.581 26.264 27.740 0.174 0.000 2.067 642 C HN 0.720 nan 8.230 nan 0.000 0.463 643 A N -0.335 122.604 122.820 0.198 0.000 1.948 643 A HA -0.279 4.041 4.320 -0.000 0.000 0.220 643 A C 2.283 179.976 177.584 0.182 0.000 1.177 643 A CA 2.288 54.407 52.037 0.136 0.000 0.636 643 A CB -0.756 18.258 19.000 0.022 0.000 0.815 643 A HN 0.812 nan 8.150 nan 0.000 0.449 644 K N -0.967 119.519 120.400 0.142 0.000 2.296 644 K HA 0.013 4.333 4.320 -0.000 0.000 0.200 644 K C 1.774 178.461 176.600 0.145 0.000 1.048 644 K CA 0.704 57.060 56.287 0.115 0.000 0.966 644 K CB -0.173 32.367 32.500 0.067 0.000 0.754 644 K HN 0.327 nan 8.250 nan 0.000 0.466 645 L N 0.904 122.224 121.223 0.161 0.000 2.042 645 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 645 L C 1.525 178.434 176.870 0.065 0.000 1.076 645 L CA 1.745 56.628 54.840 0.071 0.000 0.749 645 L CB -0.642 41.406 42.059 -0.017 0.000 0.893 645 L HN 0.107 nan 8.230 nan 0.000 0.432 646 F N 0.059 120.016 119.950 0.012 0.000 2.161 646 F HA -0.116 4.411 4.527 -0.000 0.000 0.300 646 F C 2.489 178.302 175.800 0.022 0.000 1.089 646 F CA 1.493 59.502 58.000 0.014 0.000 1.282 646 F CB -1.468 37.537 39.000 0.009 0.000 1.010 646 F HN 0.204 nan 8.300 nan 0.000 0.485 647 G N -0.175 108.760 108.800 0.225 0.000 2.418 647 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.217 647 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.217 647 G C 1.653 176.611 174.900 0.097 0.000 1.158 647 G CA 0.965 46.139 45.100 0.123 0.000 0.771 647 G HN 0.263 nan 8.290 nan 0.000 0.545 648 N N 1.065 119.816 118.700 0.085 0.000 2.083 648 N HA -0.050 4.690 4.740 -0.000 0.000 0.190 648 N C 2.340 177.898 175.510 0.080 0.000 1.047 648 N CA 1.113 54.209 53.050 0.076 0.000 0.845 648 N CB -0.567 37.955 38.487 0.058 0.000 1.025 648 N HN 0.336 nan 8.380 nan 0.000 0.428 649 I N 1.613 122.206 120.570 0.039 0.000 2.185 649 I HA -0.335 3.834 4.170 -0.000 0.000 0.246 649 I C 2.535 178.692 176.117 0.067 0.000 1.088 649 I CA 1.369 62.678 61.300 0.015 0.000 1.347 649 I CB -0.474 37.493 38.000 -0.055 0.000 1.041 649 I HN 0.204 nan 8.210 nan 0.000 0.415 650 Q N 1.151 121.011 119.800 0.100 0.000 1.948 650 Q HA -0.244 4.096 4.340 -0.000 0.000 0.205 650 Q C 2.332 178.457 176.000 0.209 0.000 0.992 650 Q CA 1.931 57.820 55.803 0.143 0.000 0.849 650 Q CB -0.106 28.725 28.738 0.155 0.000 0.918 650 Q HN 0.460 nan 8.270 nan 0.000 0.421 651 K N -0.164 120.386 120.400 0.250 0.000 2.034 651 K HA -0.214 4.106 4.320 -0.000 0.000 0.214 651 K C 2.132 179.041 176.600 0.514 0.000 1.051 651 K CA 1.884 58.453 56.287 0.470 0.000 0.931 651 K CB -0.498 32.215 32.500 0.355 0.000 0.715 651 K HN 0.050 nan 8.250 nan 0.000 0.446 652 V N 1.255 121.366 119.914 0.328 0.000 2.214 652 V HA -0.269 3.851 4.120 -0.000 0.000 0.244 652 V C 2.369 178.585 176.094 0.202 0.000 1.045 652 V CA 1.955 64.397 62.300 0.236 0.000 0.993 652 V CB -0.582 31.312 31.823 0.118 0.000 0.633 652 V HN 0.111 nan 8.190 nan 0.000 0.449 653 V N 0.835 120.830 119.914 0.135 0.000 2.317 653 V HA -0.310 3.810 4.120 -0.000 0.000 0.251 653 V C 2.339 178.557 176.094 0.207 0.000 1.065 653 V CA 2.320 64.702 62.300 0.136 0.000 1.049 653 V CB -1.088 30.768 31.823 0.054 0.000 0.651 653 V HN 0.574 nan 8.190 nan 0.000 0.450 654 N N -0.219 118.599 118.700 0.196 0.000 2.069 654 N HA -0.186 4.554 4.740 -0.000 0.000 0.191 654 N C 1.709 177.317 175.510 0.164 0.000 1.031 654 N CA 1.799 54.962 53.050 0.190 0.000 0.852 654 N CB -0.540 38.090 38.487 0.239 0.000 1.018 654 N HN 0.544 nan 8.380 nan 0.000 0.423 655 F N 0.311 120.208 119.950 -0.090 0.000 2.102 655 F HA -0.129 4.398 4.527 -0.000 0.000 0.298 655 F C 2.326 178.055 175.800 -0.117 0.000 1.105 655 F CA 1.040 58.835 58.000 -0.342 0.000 1.239 655 F CB -0.847 37.589 39.000 -0.940 0.000 0.991 655 F HN 0.134 nan 8.300 nan 0.000 0.474 656 W N 0.867 121.951 121.300 -0.359 0.000 2.338 656 W HA -0.221 4.439 4.660 -0.000 0.000 0.304 656 W C 2.054 178.432 176.519 -0.236 0.000 1.212 656 W CA 2.031 59.132 57.345 -0.407 0.000 1.264 656 W CB -0.568 28.755 29.460 -0.229 0.000 1.142 656 W HN 0.142 nan 8.180 nan 0.000 0.512 657 L N 0.959 122.188 121.223 0.010 0.000 2.376 657 L HA -0.040 4.300 4.340 -0.000 0.000 0.219 657 L C 2.100 178.854 176.870 -0.193 0.000 1.133 657 L CA 1.715 56.471 54.840 -0.139 0.000 0.816 657 L CB -1.159 40.953 42.059 0.088 0.000 0.933 657 L HN 0.221 nan 8.230 nan 0.000 0.449 658 L N -0.786 120.343 121.223 -0.157 0.000 2.017 658 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 658 L C 2.165 178.868 176.870 -0.278 0.000 1.073 658 L CA 2.026 56.782 54.840 -0.141 0.000 0.745 658 L CB -0.766 41.262 42.059 -0.050 0.000 0.894 658 L HN 0.378 nan 8.230 nan 0.000 0.432 659 H N -1.425 117.372 119.070 -0.456 0.000 2.415 659 H HA 0.067 4.623 4.556 -0.000 0.000 0.297 659 H C 1.924 176.972 175.328 -0.467 0.000 1.048 659 H CA 1.196 56.979 56.048 -0.442 0.000 1.365 659 H CB -0.247 29.198 29.762 -0.529 0.000 1.421 659 H HN 0.382 nan 8.280 nan 0.000 0.533 660 N N 0.813 119.157 118.700 -0.594 0.000 2.520 660 N HA -0.033 4.707 4.740 -0.000 0.000 0.185 660 N C 0.435 175.777 175.510 -0.279 0.000 1.068 660 N CA 0.775 53.466 53.050 -0.597 0.000 0.911 660 N CB 0.010 37.769 38.487 -1.214 0.000 0.961 660 N HN 0.480 nan 8.380 nan 0.000 0.446 661 G N -0.688 107.989 108.800 -0.206 0.000 2.992 661 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.340 661 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.340 661 G C -0.636 174.334 174.900 0.116 0.000 1.539 661 G CA 0.162 45.225 45.100 -0.062 0.000 0.997 661 G HN 0.378 nan 8.290 nan 0.000 0.561 662 F N -0.229 119.677 119.950 -0.074 0.000 2.769 662 F HA 0.645 5.172 4.527 -0.000 0.000 0.313 662 F C -0.054 175.731 175.800 -0.025 0.000 1.146 662 F CA 0.483 58.460 58.000 -0.038 0.000 0.934 662 F CB 1.319 40.309 39.000 -0.017 0.000 1.283 662 F HN 1.575 nan 8.300 nan 0.000 0.443 663 S N 1.102 116.107 115.700 -1.158 0.000 2.680 663 S HA 0.851 5.321 4.470 -0.000 0.000 0.276 663 S C -1.717 172.467 174.600 -0.693 0.000 1.189 663 S CA 0.028 57.827 58.200 -0.668 0.000 0.909 663 S CB 1.446 64.450 63.200 -0.327 0.000 1.227 663 S HN 0.923 nan 8.310 nan 0.000 0.501 664 T N 0.078 114.437 114.554 -0.325 0.000 2.821 664 T HA 0.780 5.130 4.350 -0.000 0.000 0.306 664 T C -0.762 173.864 174.700 -0.124 0.000 1.313 664 T CA 0.001 61.982 62.100 -0.198 0.000 1.012 664 T CB 1.550 70.352 68.868 -0.109 0.000 1.298 664 T HN 1.657 nan 8.240 nan 0.000 0.502 665 G N 1.241 109.993 108.800 -0.080 0.000 1.932 665 G HA2 0.430 4.390 3.960 -0.000 0.000 0.260 665 G HA3 0.430 4.390 3.960 -0.000 0.000 0.260 665 G C 0.499 175.378 174.900 -0.036 0.000 1.708 665 G CA -0.089 44.978 45.100 -0.056 0.000 0.912 665 G HN 1.004 nan 8.290 nan 0.000 0.710 666 I N 0.772 121.329 120.570 -0.021 0.000 3.261 666 I HA -0.375 3.795 4.170 -0.000 0.000 0.205 666 I C 2.381 178.493 176.117 -0.008 0.000 0.732 666 I CA 2.890 64.185 61.300 -0.009 0.000 1.186 666 I CB -1.364 36.631 38.000 -0.008 0.000 0.956 666 I HN 1.031 nan 8.210 nan 0.000 0.336 667 G N -0.197 108.594 108.800 -0.015 0.000 2.479 667 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.220 667 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.220 667 G C 1.259 176.155 174.900 -0.007 0.000 1.115 667 G CA 1.157 46.249 45.100 -0.012 0.000 0.757 667 G HN 0.652 nan 8.290 nan 0.000 0.560 668 D N -0.013 120.380 120.400 -0.011 0.000 2.323 668 D HA -0.053 4.586 4.640 -0.000 0.000 0.209 668 D C 2.496 178.803 176.300 0.011 0.000 0.973 668 D CA 1.418 55.418 54.000 -0.001 0.000 0.874 668 D CB 0.038 40.833 40.800 -0.009 0.000 0.930 668 D HN 0.498 nan 8.370 nan 0.000 0.521 669 T N -1.323 113.237 114.554 0.010 0.000 3.107 669 T HA 0.203 4.553 4.350 -0.000 0.000 0.249 669 T C 1.037 175.745 174.700 0.014 0.000 1.096 669 T CA -0.184 61.926 62.100 0.016 0.000 1.012 669 T CB 0.035 68.917 68.868 0.023 0.000 0.977 669 T HN -0.022 nan 8.240 nan 0.000 0.527 670 I N 2.002 122.579 120.570 0.012 0.000 2.331 670 I HA 0.642 4.812 4.170 -0.000 0.000 0.292 670 I C 0.459 176.585 176.117 0.015 0.000 0.998 670 I CA -1.253 60.055 61.300 0.012 0.000 1.267 670 I CB 1.277 39.282 38.000 0.009 0.000 1.386 670 I HN 0.108 nan 8.210 nan 0.000 0.476 671 A N 4.011 126.840 122.820 0.016 0.000 2.282 671 A HA 0.318 4.638 4.320 -0.000 0.000 0.319 671 A C -0.303 177.292 177.584 0.018 0.000 1.121 671 A CA -0.550 51.499 52.037 0.020 0.000 0.836 671 A CB 0.621 19.634 19.000 0.022 0.000 1.146 671 A HN 0.784 nan 8.150 nan 0.000 0.494 672 D N 0.892 121.304 120.400 0.020 0.000 2.877 672 D HA 0.115 4.754 4.640 -0.000 0.000 0.220 672 D C 1.619 177.929 176.300 0.017 0.000 1.089 672 D CA 1.615 55.626 54.000 0.018 0.000 0.811 672 D CB 0.496 41.308 40.800 0.020 0.000 1.162 672 D HN 0.627 nan 8.370 nan 0.000 0.513 673 G N 4.714 113.523 108.800 0.014 0.000 2.766 673 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.222 673 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.222 673 G C -0.574 174.335 174.900 0.015 0.000 1.225 673 G CA 1.094 46.202 45.100 0.013 0.000 0.784 673 G HN 0.682 nan 8.290 nan 0.000 0.631 674 P HA 0.014 nan 4.420 nan 0.000 0.222 674 P C 1.659 178.970 177.300 0.018 0.000 1.153 674 P CA 1.494 64.603 63.100 0.016 0.000 0.798 674 P CB -0.175 31.534 31.700 0.014 0.000 0.796 675 T N -0.246 114.320 114.554 0.020 0.000 2.929 675 T HA -0.027 4.323 4.350 -0.000 0.000 0.271 675 T C 1.905 176.620 174.700 0.025 0.000 1.085 675 T CA 1.106 63.220 62.100 0.023 0.000 1.125 675 T CB -0.466 68.417 68.868 0.025 0.000 0.874 675 T HN 0.085 nan 8.240 nan 0.000 0.494 676 M N 0.282 119.895 119.600 0.022 0.000 2.160 676 M HA 0.010 4.490 4.480 -0.000 0.000 0.264 676 M C 2.633 178.948 176.300 0.024 0.000 1.073 676 M CA 1.153 56.466 55.300 0.022 0.000 1.142 676 M CB -0.337 32.273 32.600 0.018 0.000 1.358 676 M HN 0.031 nan 8.290 nan 0.000 0.422 677 R N 1.419 121.932 120.500 0.022 0.000 2.091 677 R HA -0.209 4.131 4.340 -0.000 0.000 0.238 677 R C 1.652 177.966 176.300 0.024 0.000 1.136 677 R CA 2.077 58.191 56.100 0.023 0.000 0.959 677 R CB -0.729 29.582 30.300 0.019 0.000 0.856 677 R HN 0.528 nan 8.270 nan 0.000 0.437 678 E N 0.137 120.350 120.200 0.023 0.000 2.233 678 E HA -0.199 4.151 4.350 -0.000 0.000 0.199 678 E C 1.964 178.580 176.600 0.027 0.000 1.004 678 E CA 1.619 58.033 56.400 0.023 0.000 0.819 678 E CB -0.105 29.609 29.700 0.023 0.000 0.738 678 E HN 0.532 nan 8.360 nan 0.000 0.478 679 I N 0.029 120.618 120.570 0.031 0.000 2.400 679 I HA -0.141 4.029 4.170 -0.000 0.000 0.248 679 I C 2.211 178.354 176.117 0.043 0.000 1.109 679 I CA 0.994 62.317 61.300 0.039 0.000 1.425 679 I CB -0.218 37.805 38.000 0.039 0.000 1.094 679 I HN 0.049 nan 8.210 nan 0.000 0.425 680 T N 1.090 115.668 114.554 0.040 0.000 2.869 680 T HA -0.200 4.150 4.350 -0.000 0.000 0.270 680 T C 1.487 176.213 174.700 0.042 0.000 1.082 680 T CA 1.640 63.767 62.100 0.045 0.000 1.123 680 T CB -0.389 68.502 68.868 0.039 0.000 0.856 680 T HN 0.625 nan 8.240 nan 0.000 0.499 681 E N 0.036 120.255 120.200 0.032 0.000 2.460 681 E HA 0.064 4.414 4.350 -0.000 0.000 0.200 681 E C 1.451 178.062 176.600 0.018 0.000 1.011 681 E CA 0.313 56.727 56.400 0.023 0.000 0.912 681 E CB -0.190 29.520 29.700 0.017 0.000 0.953 681 E HN 0.192 nan 8.360 nan 0.000 0.494 682 T N 0.919 115.488 114.554 0.026 0.000 3.113 682 T HA 0.169 4.519 4.350 -0.000 0.000 0.256 682 T C 1.529 176.246 174.700 0.029 0.000 1.131 682 T CA 0.386 62.499 62.100 0.023 0.000 1.074 682 T CB 0.003 68.891 68.868 0.034 0.000 0.944 682 T HN 0.178 nan 8.240 nan 0.000 0.516 683 I N 0.750 121.346 120.570 0.043 0.000 3.025 683 I HA 0.118 4.288 4.170 -0.000 0.000 0.236 683 I C 2.854 178.981 176.117 0.017 0.000 1.063 683 I CA 0.492 61.827 61.300 0.059 0.000 1.476 683 I CB -0.682 37.387 38.000 0.115 0.000 1.331 683 I HN 0.084 nan 8.210 nan 0.000 0.457 684 A N 1.748 124.586 122.820 0.029 0.000 1.954 684 A HA -0.344 3.975 4.320 -0.000 0.000 0.222 684 A C 2.020 179.600 177.584 -0.007 0.000 1.199 684 A CA 2.845 54.892 52.037 0.016 0.000 0.657 684 A CB -1.081 17.933 19.000 0.024 0.000 0.823 684 A HN 0.703 nan 8.150 nan 0.000 0.463 685 E N 0.350 120.541 120.200 -0.014 0.000 2.118 685 E HA -0.016 4.334 4.350 -0.000 0.000 0.195 685 E C 1.751 178.313 176.600 -0.064 0.000 0.992 685 E CA 1.757 58.137 56.400 -0.034 0.000 0.804 685 E CB -0.792 28.887 29.700 -0.035 0.000 0.741 685 E HN 0.555 nan 8.360 nan 0.000 0.458 686 A N 0.952 123.729 122.820 -0.072 0.000 1.970 686 A HA -0.044 4.276 4.320 -0.000 0.000 0.216 686 A C 2.037 179.575 177.584 -0.076 0.000 1.170 686 A CA 1.210 53.183 52.037 -0.107 0.000 0.645 686 A CB -0.308 18.628 19.000 -0.106 0.000 0.816 686 A HN 0.167 nan 8.150 nan 0.000 0.447 687 K N 0.124 120.486 120.400 -0.064 0.000 2.074 687 K HA -0.187 4.132 4.320 -0.000 0.000 0.209 687 K C 1.779 178.378 176.600 -0.001 0.000 1.048 687 K CA 1.921 58.184 56.287 -0.040 0.000 0.926 687 K CB -0.178 32.313 32.500 -0.015 0.000 0.713 687 K HN 0.418 nan 8.250 nan 0.000 0.444 688 K N 0.618 121.014 120.400 -0.007 0.000 2.366 688 K HA -0.061 4.259 4.320 -0.000 0.000 0.198 688 K C 1.797 178.400 176.600 0.005 0.000 1.044 688 K CA 0.557 56.848 56.287 0.006 0.000 0.973 688 K CB 0.158 32.657 32.500 -0.002 0.000 0.767 688 K HN 0.022 nan 8.250 nan 0.000 0.475 689 K N 0.668 121.048 120.400 -0.034 0.000 2.432 689 K HA -0.018 4.302 4.320 -0.000 0.000 0.196 689 K C 1.380 178.057 176.600 0.129 0.000 1.038 689 K CA 0.452 56.689 56.287 -0.083 0.000 0.986 689 K CB 0.397 32.685 32.500 -0.352 0.000 0.782 689 K HN -0.068 nan 8.250 nan 0.000 0.485 690 V N 0.578 120.581 119.914 0.147 0.000 2.484 690 V HA -0.132 3.988 4.120 -0.000 0.000 0.236 690 V C 1.880 178.079 176.094 0.175 0.000 1.062 690 V CA 0.767 63.195 62.300 0.214 0.000 1.081 690 V CB -0.195 31.706 31.823 0.129 0.000 0.751 690 V HN 0.307 nan 8.190 nan 0.000 0.484 691 L N 1.050 122.340 121.223 0.112 0.000 2.085 691 L HA -0.292 4.048 4.340 -0.000 0.000 0.218 691 L C 1.755 178.679 176.870 0.091 0.000 1.080 691 L CA 2.608 57.503 54.840 0.092 0.000 0.776 691 L CB -0.947 41.147 42.059 0.057 0.000 0.891 691 L HN 0.401 nan 8.230 nan 0.000 0.437 692 D N -0.563 119.891 120.400 0.091 0.000 2.077 692 D HA -0.130 4.510 4.640 -0.000 0.000 0.197 692 D C 2.046 178.412 176.300 0.110 0.000 0.983 692 D CA 1.893 55.942 54.000 0.082 0.000 0.841 692 D CB -0.446 40.398 40.800 0.072 0.000 0.992 692 D HN 0.239 nan 8.370 nan 0.000 0.450 693 V N 0.820 120.840 119.914 0.177 0.000 3.284 693 V HA -0.148 3.972 4.120 -0.000 0.000 0.273 693 V C 1.797 178.028 176.094 0.229 0.000 1.178 693 V CA 1.451 63.880 62.300 0.215 0.000 1.177 693 V CB -1.037 30.973 31.823 0.311 0.000 0.793 693 V HN 0.232 nan 8.190 nan 0.000 0.536 694 T N -0.484 114.174 114.554 0.174 0.000 2.904 694 T HA -0.018 4.332 4.350 -0.000 0.000 0.243 694 T C 1.900 176.550 174.700 -0.084 0.000 1.024 694 T CA 0.639 62.783 62.100 0.074 0.000 1.158 694 T CB -0.033 68.923 68.868 0.146 0.000 0.867 694 T HN 0.415 nan 8.240 nan 0.000 0.429 695 K N 1.348 121.734 120.400 -0.023 0.000 2.147 695 K HA -0.080 4.240 4.320 -0.000 0.000 0.205 695 K C 2.230 178.798 176.600 -0.054 0.000 1.049 695 K CA 1.047 57.306 56.287 -0.047 0.000 0.936 695 K CB -0.083 32.409 32.500 -0.014 0.000 0.722 695 K HN 0.417 nan 8.250 nan 0.000 0.446 696 E N 0.401 120.588 120.200 -0.021 0.000 2.396 696 E HA -0.169 4.181 4.350 -0.000 0.000 0.200 696 E C 1.113 177.682 176.600 -0.052 0.000 1.023 696 E CA 0.897 57.290 56.400 -0.012 0.000 0.857 696 E CB 0.128 29.849 29.700 0.035 0.000 0.775 696 E HN 0.350 nan 8.360 nan 0.000 0.525 697 A N -0.320 122.423 122.820 -0.129 0.000 2.456 697 A HA 0.154 4.474 4.320 -0.000 0.000 0.237 697 A C 1.460 178.895 177.584 -0.248 0.000 1.217 697 A CA -0.321 51.588 52.037 -0.214 0.000 0.962 697 A CB 0.392 19.157 19.000 -0.391 0.000 1.079 697 A HN 0.150 nan 8.150 nan 0.000 0.536 698 Q N -0.600 119.076 119.800 -0.207 0.000 2.365 698 Q HA 0.276 4.616 4.340 -0.000 0.000 0.203 698 Q C 1.040 176.972 176.000 -0.114 0.000 0.929 698 Q CA 0.530 56.225 55.803 -0.180 0.000 0.948 698 Q CB 0.279 28.928 28.738 -0.149 0.000 1.043 698 Q HN 0.591 nan 8.270 nan 0.000 0.505 699 A N 0.424 123.187 122.820 -0.095 0.000 2.603 699 A HA 0.158 4.478 4.320 -0.000 0.000 0.277 699 A C 0.257 177.808 177.584 -0.055 0.000 1.158 699 A CA -0.274 51.726 52.037 -0.062 0.000 0.962 699 A CB 0.255 19.229 19.000 -0.043 0.000 1.189 699 A HN 0.362 nan 8.150 nan 0.000 0.552 700 N N -0.424 118.233 118.700 -0.071 0.000 2.756 700 N HA -0.131 4.609 4.740 -0.000 0.000 0.248 700 N C -0.560 174.928 175.510 -0.037 0.000 1.062 700 N CA 0.843 53.859 53.050 -0.056 0.000 0.696 700 N CB -1.729 36.732 38.487 -0.043 0.000 0.946 700 N HN 0.472 nan 8.380 nan 0.000 0.548 701 L N 0.051 121.252 121.223 -0.037 0.000 2.839 701 L HA 0.474 4.814 4.340 -0.000 0.000 0.259 701 L C -0.406 176.462 176.870 -0.004 0.000 1.369 701 L CA -0.252 54.578 54.840 -0.016 0.000 0.845 701 L CB 0.336 42.388 42.059 -0.012 0.000 1.181 701 L HN 0.103 nan 8.230 nan 0.000 0.529 702 L N -0.283 120.939 121.223 -0.002 0.000 2.526 702 L HA 0.357 4.697 4.340 -0.000 0.000 0.263 702 L C -0.140 176.743 176.870 0.023 0.000 0.943 702 L CA -0.322 54.528 54.840 0.017 0.000 0.859 702 L CB 2.987 45.061 42.059 0.024 0.000 1.313 702 L HN 0.021 nan 8.230 nan 0.000 0.406 703 T N 2.559 117.132 114.554 0.032 0.000 2.754 703 T HA 0.192 4.542 4.350 -0.000 0.000 0.282 703 T C 0.582 175.309 174.700 0.044 0.000 0.923 703 T CA -0.173 61.948 62.100 0.035 0.000 1.164 703 T CB 0.577 69.468 68.868 0.038 0.000 0.873 703 T HN 0.578 nan 8.240 nan 0.000 0.537 704 A N 5.514 128.359 122.820 0.042 0.000 2.618 704 A HA 0.114 4.434 4.320 -0.000 0.000 0.293 704 A C 0.694 178.316 177.584 0.065 0.000 1.413 704 A CA -0.233 51.833 52.037 0.047 0.000 1.074 704 A CB -0.481 18.542 19.000 0.039 0.000 1.087 704 A HN 0.801 nan 8.150 nan 0.000 0.553 705 K N 2.847 123.287 120.400 0.066 0.000 2.405 705 K HA -0.056 4.264 4.320 -0.000 0.000 0.276 705 K C 0.149 176.818 176.600 0.114 0.000 1.099 705 K CA 0.045 56.384 56.287 0.086 0.000 1.120 705 K CB -0.078 32.463 32.500 0.068 0.000 0.877 705 K HN 0.766 nan 8.250 nan 0.000 0.472 706 H N 1.989 121.071 119.070 0.021 0.000 3.106 706 H HA -0.174 4.382 4.556 -0.000 0.000 0.265 706 H C 1.220 176.559 175.328 0.019 0.000 0.829 706 H CA 1.902 57.961 56.048 0.018 0.000 1.429 706 H CB -0.182 29.591 29.762 0.018 0.000 1.255 706 H HN 0.886 nan 8.280 nan 0.000 0.530 707 G N 4.259 112.892 108.800 -0.278 0.000 2.298 707 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.287 707 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.287 707 G C -0.122 174.735 174.900 -0.071 0.000 1.075 707 G CA 0.352 45.331 45.100 -0.202 0.000 0.960 707 G HN 0.710 nan 8.290 nan 0.000 0.502 708 M N 0.009 119.586 119.600 -0.038 0.000 2.323 708 M HA 0.165 4.645 4.480 -0.000 0.000 0.278 708 M C 0.320 176.626 176.300 0.010 0.000 1.069 708 M CA -0.676 54.621 55.300 -0.005 0.000 0.950 708 M CB 1.762 34.369 32.600 0.012 0.000 1.879 708 M HN 0.124 nan 8.290 nan 0.000 0.491 709 T N 1.952 116.515 114.554 0.015 0.000 2.724 709 T HA 0.072 4.422 4.350 -0.000 0.000 0.324 709 T C 1.294 176.020 174.700 0.042 0.000 1.071 709 T CA -0.173 61.942 62.100 0.025 0.000 1.061 709 T CB 0.510 69.397 68.868 0.033 0.000 0.990 709 T HN 0.457 nan 8.240 nan 0.000 0.543 710 L N 0.536 121.782 121.223 0.037 0.000 2.141 710 L HA 0.019 4.359 4.340 -0.000 0.000 0.209 710 L C 2.631 179.554 176.870 0.087 0.000 1.094 710 L CA 1.527 56.392 54.840 0.041 0.000 0.763 710 L CB -0.702 41.359 42.059 0.003 0.000 0.908 710 L HN 0.434 nan 8.230 nan 0.000 0.437 711 R N 0.073 120.626 120.500 0.088 0.000 2.075 711 R HA -0.126 4.214 4.340 -0.000 0.000 0.230 711 R C 2.233 178.645 176.300 0.186 0.000 1.140 711 R CA 1.565 57.760 56.100 0.159 0.000 0.928 711 R CB -0.345 30.026 30.300 0.119 0.000 0.834 711 R HN 0.411 nan 8.270 nan 0.000 0.429 712 E N -0.515 119.743 120.200 0.097 0.000 2.021 712 E HA -0.201 4.149 4.350 -0.000 0.000 0.200 712 E C 2.019 178.648 176.600 0.049 0.000 1.015 712 E CA 1.757 58.188 56.400 0.052 0.000 0.824 712 E CB -0.282 29.433 29.700 0.024 0.000 0.762 712 E HN 0.210 nan 8.360 nan 0.000 0.454 713 S N 0.533 116.269 115.700 0.062 0.000 2.423 713 S HA -0.197 4.272 4.470 -0.000 0.000 0.238 713 S C 1.433 176.086 174.600 0.088 0.000 1.028 713 S CA 1.183 59.417 58.200 0.056 0.000 1.000 713 S CB -0.334 62.904 63.200 0.063 0.000 0.797 713 S HN 0.260 nan 8.310 nan 0.000 0.487 714 F N 2.545 122.478 119.950 -0.028 0.000 2.025 714 F HA 0.008 4.535 4.527 -0.000 0.000 0.291 714 F C 2.285 178.055 175.800 -0.050 0.000 1.150 714 F CA 1.332 59.311 58.000 -0.034 0.000 1.166 714 F CB -0.968 38.026 39.000 -0.010 0.000 0.995 714 F HN -0.034 nan 8.300 nan 0.000 0.474 715 E N 0.738 120.674 120.200 -0.441 0.000 2.172 715 E HA -0.349 4.000 4.350 -0.000 0.000 0.213 715 E C 2.077 178.434 176.600 -0.405 0.000 1.051 715 E CA 1.842 57.919 56.400 -0.538 0.000 0.860 715 E CB -1.122 28.451 29.700 -0.211 0.000 0.755 715 E HN 0.614 nan 8.360 nan 0.000 0.462 716 D N 0.536 120.791 120.400 -0.242 0.000 2.133 716 D HA -0.204 4.435 4.640 -0.000 0.000 0.192 716 D C 1.416 177.542 176.300 -0.289 0.000 1.001 716 D CA 1.205 55.087 54.000 -0.198 0.000 0.844 716 D CB -0.088 40.643 40.800 -0.116 0.000 0.944 716 D HN 0.135 nan 8.370 nan 0.000 0.447 717 N N 0.117 118.589 118.700 -0.380 0.000 2.270 717 N HA -0.105 4.635 4.740 -0.000 0.000 0.181 717 N C 2.132 177.139 175.510 -0.838 0.000 1.016 717 N CA 0.603 53.272 53.050 -0.636 0.000 0.870 717 N CB -0.233 37.925 38.487 -0.548 0.000 0.979 717 N HN 0.187 nan 8.380 nan 0.000 0.431 718 V N 1.583 121.131 119.914 -0.609 0.000 2.214 718 V HA -0.238 3.882 4.120 -0.000 0.000 0.244 718 V C 2.556 178.486 176.094 -0.273 0.000 1.045 718 V CA 1.514 63.553 62.300 -0.436 0.000 0.993 718 V CB -0.990 30.537 31.823 -0.494 0.000 0.633 718 V HN -0.008 nan 8.190 nan 0.000 0.449 719 V N -0.195 119.577 119.914 -0.236 0.000 2.232 719 V HA -0.432 3.687 4.120 -0.000 0.000 0.251 719 V C 2.534 178.594 176.094 -0.057 0.000 1.048 719 V CA 2.860 65.091 62.300 -0.114 0.000 1.029 719 V CB -0.884 30.876 31.823 -0.105 0.000 0.658 719 V HN 0.465 nan 8.190 nan 0.000 0.464 720 R N -1.078 119.367 120.500 -0.091 0.000 2.191 720 R HA -0.264 4.075 4.340 -0.000 0.000 0.248 720 R C 2.253 178.650 176.300 0.161 0.000 1.127 720 R CA 2.753 58.855 56.100 0.003 0.000 0.943 720 R CB -0.686 29.581 30.300 -0.055 0.000 0.891 720 R HN 0.584 nan 8.270 nan 0.000 0.439 721 F N 0.244 120.171 119.950 -0.039 0.000 2.087 721 F HA -0.343 4.183 4.527 -0.000 0.000 0.299 721 F C 2.297 178.059 175.800 -0.063 0.000 1.100 721 F CA 0.707 58.679 58.000 -0.047 0.000 1.226 721 F CB -0.336 38.626 39.000 -0.064 0.000 0.983 721 F HN 0.045 nan 8.300 nan 0.000 0.479 722 L N 0.344 121.627 121.223 0.101 0.000 1.937 722 L HA -0.268 4.072 4.340 -0.000 0.000 0.213 722 L C 2.076 179.025 176.870 0.132 0.000 1.077 722 L CA 1.652 56.466 54.840 -0.043 0.000 0.758 722 L CB -1.390 40.559 42.059 -0.184 0.000 0.888 722 L HN 0.037 nan 8.230 nan 0.000 0.433 723 N N -0.107 118.697 118.700 0.173 0.000 2.060 723 N HA -0.294 4.445 4.740 -0.000 0.000 0.195 723 N C 1.807 177.407 175.510 0.150 0.000 1.028 723 N CA 1.724 54.879 53.050 0.175 0.000 0.861 723 N CB -0.520 38.043 38.487 0.127 0.000 1.029 723 N HN 0.518 nan 8.380 nan 0.000 0.428 724 E N 0.738 121.021 120.200 0.137 0.000 2.086 724 E HA -0.218 4.132 4.350 -0.000 0.000 0.200 724 E C 1.798 178.464 176.600 0.110 0.000 1.012 724 E CA 1.583 58.058 56.400 0.126 0.000 0.812 724 E CB -0.068 29.720 29.700 0.148 0.000 0.743 724 E HN 0.384 nan 8.360 nan 0.000 0.453 725 A N 1.524 124.404 122.820 0.099 0.000 1.872 725 A HA -0.147 4.173 4.320 -0.000 0.000 0.214 725 A C 2.258 179.916 177.584 0.123 0.000 1.187 725 A CA 1.366 53.451 52.037 0.080 0.000 0.614 725 A CB -0.621 18.402 19.000 0.038 0.000 0.826 725 A HN 0.279 nan 8.150 nan 0.000 0.442 726 R N 0.006 120.611 120.500 0.176 0.000 2.103 726 R HA -0.246 4.094 4.340 -0.000 0.000 0.242 726 R C 1.525 177.903 176.300 0.131 0.000 1.142 726 R CA 2.335 58.541 56.100 0.177 0.000 0.960 726 R CB -0.603 29.822 30.300 0.209 0.000 0.858 726 R HN 0.497 nan 8.270 nan 0.000 0.439 727 D N 0.286 120.783 120.400 0.162 0.000 2.103 727 D HA -0.227 4.413 4.640 -0.000 0.000 0.190 727 D C 1.939 178.421 176.300 0.304 0.000 0.997 727 D CA 2.415 56.572 54.000 0.261 0.000 0.833 727 D CB -0.119 40.840 40.800 0.265 0.000 0.961 727 D HN 0.477 nan 8.370 nan 0.000 0.447 728 K N 0.753 121.264 120.400 0.185 0.000 2.063 728 K HA -0.098 4.222 4.320 -0.000 0.000 0.208 728 K C 2.173 178.858 176.600 0.142 0.000 1.048 728 K CA 1.564 57.935 56.287 0.140 0.000 0.928 728 K CB -0.390 32.158 32.500 0.080 0.000 0.713 728 K HN 0.084 nan 8.250 nan 0.000 0.442 729 A N 1.777 124.669 122.820 0.121 0.000 1.997 729 A HA -0.127 4.193 4.320 -0.000 0.000 0.221 729 A C 2.399 180.042 177.584 0.099 0.000 1.172 729 A CA 2.029 54.121 52.037 0.091 0.000 0.645 729 A CB -1.456 17.590 19.000 0.078 0.000 0.813 729 A HN 0.595 nan 8.150 nan 0.000 0.454 730 G N -0.804 108.083 108.800 0.146 0.000 2.616 730 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.215 730 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.215 730 G C 1.557 176.654 174.900 0.329 0.000 1.284 730 G CA 0.811 46.010 45.100 0.165 0.000 0.823 730 G HN 0.515 nan 8.290 nan 0.000 0.569 731 R N -0.120 120.697 120.500 0.527 0.000 2.196 731 R HA -0.176 4.164 4.340 -0.000 0.000 0.259 731 R C 2.679 179.064 176.300 0.141 0.000 1.154 731 R CA 1.652 57.898 56.100 0.244 0.000 0.976 731 R CB -0.725 29.604 30.300 0.048 0.000 0.888 731 R HN 0.360 nan 8.270 nan 0.000 0.453 732 L N -0.529 120.765 121.223 0.119 0.000 2.051 732 L HA -0.253 4.087 4.340 -0.000 0.000 0.214 732 L C 2.462 179.374 176.870 0.071 0.000 1.076 732 L CA 1.634 56.520 54.840 0.076 0.000 0.758 732 L CB -0.482 41.617 42.059 0.066 0.000 0.890 732 L HN 0.336 nan 8.230 nan 0.000 0.433 733 A N -1.323 121.545 122.820 0.081 0.000 2.178 733 A HA -0.094 4.226 4.320 -0.000 0.000 0.211 733 A C 2.108 179.739 177.584 0.079 0.000 1.157 733 A CA 0.680 52.755 52.037 0.064 0.000 0.780 733 A CB -0.170 18.857 19.000 0.045 0.000 0.828 733 A HN 0.469 nan 8.150 nan 0.000 0.476 734 E N 0.088 120.358 120.200 0.117 0.000 2.004 734 E HA -0.104 4.246 4.350 -0.000 0.000 0.192 734 E C 1.145 177.795 176.600 0.085 0.000 0.987 734 E CA 1.590 58.068 56.400 0.130 0.000 0.822 734 E CB -0.088 29.735 29.700 0.204 0.000 0.779 734 E HN 0.210 nan 8.360 nan 0.000 0.458 735 V N 2.619 122.572 119.914 0.065 0.000 3.541 735 V HA -0.100 4.020 4.120 -0.000 0.000 0.272 735 V C 1.873 177.992 176.094 0.041 0.000 1.215 735 V CA 1.117 63.444 62.300 0.044 0.000 1.176 735 V CB -0.915 30.924 31.823 0.027 0.000 0.854 735 V HN 0.373 nan 8.190 nan 0.000 0.496 736 N N 0.502 119.230 118.700 0.048 0.000 2.395 736 N HA 0.051 4.791 4.740 -0.000 0.000 0.175 736 N C 0.627 176.160 175.510 0.039 0.000 1.029 736 N CA 0.194 53.268 53.050 0.040 0.000 0.897 736 N CB 0.271 38.782 38.487 0.041 0.000 0.991 736 N HN 0.424 nan 8.380 nan 0.000 0.441 737 L N 3.005 124.256 121.223 0.045 0.000 2.278 737 L HA 0.205 4.545 4.340 -0.000 0.000 0.287 737 L C 0.342 177.239 176.870 0.045 0.000 1.072 737 L CA -0.603 54.263 54.840 0.044 0.000 0.819 737 L CB 1.031 43.119 42.059 0.049 0.000 1.176 737 L HN -0.056 nan 8.230 nan 0.000 0.435 738 K N 1.627 122.051 120.400 0.040 0.000 2.393 738 K HA -0.081 4.238 4.320 -0.000 0.000 0.264 738 K C 0.542 177.172 176.600 0.050 0.000 0.979 738 K CA -0.023 56.288 56.287 0.041 0.000 0.893 738 K CB 0.380 32.901 32.500 0.036 0.000 0.967 738 K HN 0.416 nan 8.250 nan 0.000 0.521 739 D N 0.264 120.694 120.400 0.051 0.000 2.178 739 D HA -0.112 4.527 4.640 -0.000 0.000 0.201 739 D C 1.511 177.857 176.300 0.076 0.000 0.980 739 D CA 1.016 55.052 54.000 0.060 0.000 0.842 739 D CB -0.254 40.579 40.800 0.055 0.000 0.948 739 D HN 0.454 nan 8.370 nan 0.000 0.472 740 L N -0.119 121.145 121.223 0.069 0.000 2.265 740 L HA -0.006 4.334 4.340 -0.000 0.000 0.215 740 L C 0.564 177.482 176.870 0.081 0.000 1.117 740 L CA 0.437 55.323 54.840 0.077 0.000 0.782 740 L CB -1.923 40.169 42.059 0.055 0.000 0.914 740 L HN -0.177 nan 8.230 nan 0.000 0.441 741 N N 0.944 119.686 118.700 0.070 0.000 2.458 741 N HA -0.056 4.684 4.740 -0.000 0.000 0.258 741 N C 0.972 176.541 175.510 0.099 0.000 1.219 741 N CA 0.268 53.355 53.050 0.063 0.000 0.902 741 N CB 0.376 38.897 38.487 0.056 0.000 1.076 741 N HN 0.199 nan 8.380 nan 0.000 0.455 742 N N 2.664 121.405 118.700 0.069 0.000 2.081 742 N HA -0.132 4.608 4.740 -0.000 0.000 0.191 742 N C 1.469 177.079 175.510 0.167 0.000 1.053 742 N CA 1.113 54.232 53.050 0.115 0.000 0.846 742 N CB -0.757 37.653 38.487 -0.129 0.000 1.032 742 N HN 0.329 nan 8.380 nan 0.000 0.431 743 V N 2.021 121.987 119.914 0.087 0.000 2.418 743 V HA -0.287 3.833 4.120 -0.000 0.000 0.258 743 V C 2.450 178.607 176.094 0.106 0.000 1.088 743 V CA 1.781 64.135 62.300 0.090 0.000 1.091 743 V CB -0.520 31.336 31.823 0.055 0.000 0.669 743 V HN 0.395 nan 8.190 nan 0.000 0.461 744 K N -0.658 119.805 120.400 0.105 0.000 2.021 744 K HA -0.146 4.173 4.320 -0.000 0.000 0.205 744 K C 2.283 178.947 176.600 0.106 0.000 1.047 744 K CA 1.174 57.520 56.287 0.097 0.000 0.943 744 K CB -0.166 32.385 32.500 0.086 0.000 0.725 744 K HN 0.469 nan 8.250 nan 0.000 0.439 745 Q N 0.044 119.927 119.800 0.139 0.000 2.156 745 Q HA -0.245 4.095 4.340 -0.000 0.000 0.211 745 Q C 2.090 178.139 176.000 0.082 0.000 0.995 745 Q CA 2.407 58.287 55.803 0.128 0.000 0.877 745 Q CB -0.138 28.738 28.738 0.228 0.000 0.920 745 Q HN 0.433 nan 8.270 nan 0.000 0.416 746 M N -0.702 118.978 119.600 0.134 0.000 2.200 746 M HA -0.105 4.375 4.480 -0.000 0.000 0.265 746 M C 2.095 178.431 176.300 0.060 0.000 1.066 746 M CA 0.834 56.185 55.300 0.085 0.000 1.127 746 M CB 0.071 32.759 32.600 0.147 0.000 1.379 746 M HN 0.051 nan 8.290 nan 0.000 0.420 747 V N 0.487 120.445 119.914 0.074 0.000 2.759 747 V HA -0.199 3.921 4.120 -0.000 0.000 0.256 747 V C 2.198 178.322 176.094 0.050 0.000 1.080 747 V CA 1.295 63.633 62.300 0.064 0.000 1.101 747 V CB -0.627 31.244 31.823 0.079 0.000 0.698 747 V HN 0.503 nan 8.190 nan 0.000 0.477 748 M N -0.218 119.408 119.600 0.044 0.000 2.216 748 M HA 0.037 4.517 4.480 -0.000 0.000 0.264 748 M C 2.436 178.740 176.300 0.007 0.000 1.080 748 M CA 1.708 57.025 55.300 0.028 0.000 1.153 748 M CB -0.498 32.120 32.600 0.030 0.000 1.356 748 M HN 0.327 nan 8.290 nan 0.000 0.432 749 A N 0.261 123.077 122.820 -0.007 0.000 1.972 749 A HA 0.134 4.454 4.320 -0.000 0.000 0.219 749 A C 1.746 179.322 177.584 -0.013 0.000 1.169 749 A CA 1.575 53.597 52.037 -0.026 0.000 0.635 749 A CB -0.953 18.016 19.000 -0.052 0.000 0.810 749 A HN 0.708 nan 8.150 nan 0.000 0.446 750 G N -1.227 107.575 108.800 0.003 0.000 2.141 750 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.195 750 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.195 750 G C 0.661 175.567 174.900 0.011 0.000 1.012 750 G CA 0.963 46.069 45.100 0.011 0.000 0.696 750 G HN 1.455 nan 8.290 nan 0.000 0.508 751 S N -1.462 114.244 115.700 0.010 0.000 2.540 751 S HA 0.607 5.077 4.470 -0.000 0.000 0.218 751 S C 0.512 175.125 174.600 0.022 0.000 0.977 751 S CA 0.517 58.724 58.200 0.011 0.000 0.918 751 S CB 0.803 64.003 63.200 0.001 0.000 0.806 751 S HN 0.418 nan 8.310 nan 0.000 0.496 752 K N 0.261 120.680 120.400 0.032 0.000 2.721 752 K HA 0.437 4.757 4.320 -0.000 0.000 0.285 752 K C -0.250 176.378 176.600 0.046 0.000 1.124 752 K CA 0.670 56.979 56.287 0.037 0.000 1.021 752 K CB 0.718 33.242 32.500 0.041 0.000 1.387 752 K HN 0.712 nan 8.250 nan 0.000 0.418 753 G N 1.308 110.132 108.800 0.041 0.000 2.690 753 G HA2 0.043 4.002 3.960 -0.000 0.000 0.686 753 G HA3 0.043 4.002 3.960 -0.000 0.000 0.686 753 G C -0.768 174.164 174.900 0.054 0.000 1.277 753 G CA -0.117 45.010 45.100 0.045 0.000 0.799 753 G HN 1.381 nan 8.290 nan 0.000 0.613 754 S N -0.071 115.663 115.700 0.056 0.000 2.671 754 S HA 0.733 5.203 4.470 -0.000 0.000 0.277 754 S C 0.898 175.565 174.600 0.113 0.000 1.165 754 S CA 0.331 58.586 58.200 0.091 0.000 0.822 754 S CB 1.462 64.716 63.200 0.089 0.000 1.150 754 S HN 2.057 nan 8.310 nan 0.000 0.479 755 F N 2.031 121.993 119.950 0.021 0.000 2.063 755 F HA -0.227 4.300 4.527 -0.000 0.000 0.297 755 F C 1.696 177.505 175.800 0.014 0.000 1.099 755 F CA 2.213 60.224 58.000 0.018 0.000 1.220 755 F CB -0.713 38.297 39.000 0.017 0.000 0.972 755 F HN 0.532 nan 8.300 nan 0.000 0.487 756 I N 1.201 121.542 120.570 -0.382 0.000 2.087 756 I HA -0.420 3.750 4.170 -0.000 0.000 0.240 756 I C 2.336 178.260 176.117 -0.321 0.000 1.054 756 I CA 1.922 62.928 61.300 -0.490 0.000 1.311 756 I CB -1.923 35.962 38.000 -0.192 0.000 1.024 756 I HN 0.325 nan 8.210 nan 0.000 0.402 757 N N 1.303 119.916 118.700 -0.144 0.000 2.027 757 N HA -0.234 4.506 4.740 -0.000 0.000 0.200 757 N C 1.953 177.406 175.510 -0.095 0.000 1.042 757 N CA 2.103 55.109 53.050 -0.072 0.000 0.871 757 N CB -0.628 37.856 38.487 -0.006 0.000 1.063 757 N HN 0.420 nan 8.380 nan 0.000 0.438 758 I N 1.564 122.089 120.570 -0.076 0.000 2.143 758 I HA -0.340 3.830 4.170 -0.000 0.000 0.245 758 I C 2.538 178.588 176.117 -0.111 0.000 1.068 758 I CA 1.656 62.925 61.300 -0.051 0.000 1.326 758 I CB -0.636 37.365 38.000 0.002 0.000 1.028 758 I HN 0.104 nan 8.210 nan 0.000 0.412 759 A N 0.518 123.198 122.820 -0.234 0.000 1.851 759 A HA -0.278 4.042 4.320 -0.000 0.000 0.216 759 A C 2.260 179.698 177.584 -0.244 0.000 1.195 759 A CA 1.949 53.825 52.037 -0.269 0.000 0.622 759 A CB -0.854 17.853 19.000 -0.488 0.000 0.831 759 A HN 0.566 nan 8.150 nan 0.000 0.444 760 Q N -1.182 118.440 119.800 -0.297 0.000 2.541 760 Q HA 0.029 4.369 4.340 -0.000 0.000 0.215 760 Q C 1.693 177.418 176.000 -0.459 0.000 0.977 760 Q CA 0.900 56.433 55.803 -0.450 0.000 0.934 760 Q CB -0.143 28.288 28.738 -0.512 0.000 0.988 760 Q HN 0.775 nan 8.270 nan 0.000 0.521 761 M N -2.036 117.460 119.600 -0.174 0.000 2.999 761 M HA 0.049 4.529 4.480 -0.000 0.000 0.246 761 M C 1.940 178.223 176.300 -0.027 0.000 1.478 761 M CA 0.570 55.860 55.300 -0.018 0.000 1.243 761 M CB 0.337 32.974 32.600 0.062 0.000 1.213 761 M HN -0.047 nan 8.290 nan 0.000 0.564 762 S N 0.984 116.661 115.700 -0.038 0.000 2.362 762 S HA 0.171 4.641 4.470 -0.000 0.000 0.221 762 S C 1.621 176.202 174.600 -0.032 0.000 1.032 762 S CA 1.017 59.205 58.200 -0.020 0.000 0.973 762 S CB -0.153 63.044 63.200 -0.005 0.000 0.849 762 S HN 0.452 nan 8.310 nan 0.000 0.465 763 A N 0.327 123.112 122.820 -0.058 0.000 3.513 763 A HA 0.505 4.825 4.320 -0.000 0.000 0.195 763 A C 0.775 178.309 177.584 -0.084 0.000 2.063 763 A CA 0.118 52.125 52.037 -0.049 0.000 1.375 763 A CB -0.771 18.210 19.000 -0.031 0.000 1.204 763 A HN 0.513 nan 8.150 nan 0.000 0.385 764 C N -1.039 118.198 119.300 -0.104 0.000 2.435 764 C HA 0.642 5.102 4.460 -0.000 0.000 0.333 764 C C 1.697 176.528 174.990 -0.265 0.000 1.202 764 C CA -0.283 58.648 59.018 -0.146 0.000 1.830 764 C CB 0.700 28.410 27.740 -0.050 0.000 2.326 764 C HN 0.550 nan 8.230 nan 0.000 0.507 765 V N 4.331 124.022 119.914 -0.372 0.000 2.251 765 V HA 0.453 4.573 4.120 -0.000 0.000 0.233 765 V C 1.457 177.321 176.094 -0.384 0.000 1.041 765 V CA 1.908 63.916 62.300 -0.486 0.000 1.000 765 V CB -1.028 30.459 31.823 -0.561 0.000 0.643 765 V HN 1.348 nan 8.190 nan 0.000 0.460 766 G N -0.908 107.611 108.800 -0.468 0.000 2.337 766 G HA2 0.343 4.303 3.960 -0.000 0.000 0.298 766 G HA3 0.343 4.303 3.960 -0.000 0.000 0.298 766 G C -1.589 173.088 174.900 -0.372 0.000 1.335 766 G CA -0.313 44.574 45.100 -0.356 0.000 0.875 766 G HN 0.365 nan 8.290 nan 0.000 0.579 767 Q N 0.329 120.110 119.800 -0.031 0.000 2.377 767 Q HA 0.599 4.939 4.340 -0.000 0.000 0.249 767 Q C 0.218 176.277 176.000 0.099 0.000 1.005 767 Q CA -0.239 55.659 55.803 0.159 0.000 0.912 767 Q CB 0.919 29.896 28.738 0.399 0.000 1.223 767 Q HN 0.467 nan 8.270 nan 0.000 0.459 768 Q N 1.606 121.469 119.800 0.104 0.000 2.395 768 Q HA 0.403 4.742 4.340 -0.000 0.000 0.271 768 Q C -0.795 175.241 176.000 0.060 0.000 1.026 768 Q CA 0.428 56.297 55.803 0.109 0.000 0.900 768 Q CB 1.105 29.948 28.738 0.176 0.000 1.266 768 Q HN 0.796 nan 8.270 nan 0.000 0.430 769 S N -0.230 115.488 115.700 0.030 0.000 2.579 769 S HA 0.817 5.287 4.470 -0.000 0.000 0.272 769 S C -1.486 173.103 174.600 -0.019 0.000 1.141 769 S CA -0.897 57.299 58.200 -0.006 0.000 0.843 769 S CB 1.245 64.440 63.200 -0.008 0.000 1.122 769 S HN 0.249 nan 8.310 nan 0.000 0.468 770 V N 1.783 121.675 119.914 -0.036 0.000 2.482 770 V HA 0.578 4.698 4.120 -0.000 0.000 0.295 770 V C -0.252 175.818 176.094 -0.039 0.000 1.026 770 V CA -0.624 61.654 62.300 -0.037 0.000 0.856 770 V CB 0.369 32.168 31.823 -0.041 0.000 1.001 770 V HN 1.152 nan 8.190 nan 0.000 0.424 771 E N 3.339 123.520 120.200 -0.031 0.000 2.637 771 E HA -0.279 4.071 4.350 -0.000 0.000 0.265 771 E C 1.371 177.952 176.600 -0.031 0.000 1.073 771 E CA 0.785 57.168 56.400 -0.028 0.000 0.778 771 E CB -1.331 28.351 29.700 -0.029 0.000 1.362 771 E HN 1.589 nan 8.360 nan 0.000 0.413 772 G N 0.035 108.817 108.800 -0.029 0.000 2.435 772 G HA2 -0.429 3.531 3.960 -0.000 0.000 0.245 772 G HA3 -0.429 3.531 3.960 -0.000 0.000 0.245 772 G C 0.263 175.135 174.900 -0.047 0.000 1.073 772 G CA 0.742 45.824 45.100 -0.030 0.000 0.638 772 G HN 0.284 nan 8.290 nan 0.000 0.521 773 K N 2.874 123.239 120.400 -0.059 0.000 2.220 773 K HA 0.330 4.650 4.320 -0.000 0.000 0.283 773 K C 0.984 177.520 176.600 -0.105 0.000 1.098 773 K CA -0.457 55.777 56.287 -0.088 0.000 0.928 773 K CB 0.386 32.832 32.500 -0.089 0.000 1.214 773 K HN 0.686 nan 8.250 nan 0.000 0.442 774 R N 2.673 123.107 120.500 -0.110 0.000 2.538 774 R HA -0.065 4.275 4.340 -0.000 0.000 0.273 774 R C 0.206 176.401 176.300 -0.175 0.000 0.967 774 R CA -0.438 55.595 56.100 -0.111 0.000 1.101 774 R CB -0.171 30.072 30.300 -0.096 0.000 0.908 774 R HN 0.419 nan 8.270 nan 0.000 0.411 775 I N 1.172 121.639 120.570 -0.172 0.000 3.099 775 I HA -0.305 3.865 4.170 -0.000 0.000 0.255 775 I C 1.059 177.020 176.117 -0.260 0.000 0.976 775 I CA 1.098 62.260 61.300 -0.230 0.000 2.390 775 I CB -1.551 36.188 38.000 -0.436 0.000 0.873 775 I HN 0.898 nan 8.210 nan 0.000 0.376 776 A N 8.061 130.761 122.820 -0.200 0.000 2.274 776 A HA 0.634 4.954 4.320 -0.000 0.000 0.297 776 A C 0.160 177.739 177.584 -0.007 0.000 1.191 776 A CA -0.522 51.366 52.037 -0.248 0.000 0.889 776 A CB 0.442 19.341 19.000 -0.168 0.000 1.294 776 A HN 0.584 nan 8.150 nan 0.000 0.506 777 F N 0.613 120.536 119.950 -0.044 0.000 2.759 777 F HA 0.239 4.766 4.527 -0.000 0.000 0.322 777 F C 1.766 177.599 175.800 0.054 0.000 1.199 777 F CA -0.204 57.809 58.000 0.023 0.000 1.272 777 F CB 0.214 39.234 39.000 0.033 0.000 1.467 777 F HN 0.744 nan 8.300 nan 0.000 0.561 778 G N -0.061 108.850 108.800 0.186 0.000 2.708 778 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.210 778 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.210 778 G C 0.683 175.686 174.900 0.173 0.000 1.141 778 G CA 0.138 45.296 45.100 0.097 0.000 0.788 778 G HN 0.526 nan 8.290 nan 0.000 0.531 779 F N 1.342 121.340 119.950 0.080 0.000 2.942 779 F HA 0.291 4.818 4.527 -0.000 0.000 0.324 779 F C 0.371 176.171 175.800 -0.001 0.000 1.265 779 F CA -0.985 57.029 58.000 0.023 0.000 1.255 779 F CB 0.776 39.771 39.000 -0.007 0.000 1.048 779 F HN -0.201 nan 8.300 nan 0.000 0.512 780 V N 1.893 121.931 119.914 0.208 0.000 5.560 780 V HA -0.331 3.789 4.120 -0.000 0.000 0.297 780 V C 0.098 176.182 176.094 -0.017 0.000 0.697 780 V CA 0.955 63.312 62.300 0.095 0.000 1.103 780 V CB -1.351 30.500 31.823 0.047 0.000 1.292 780 V HN 0.798 nan 8.190 nan 0.000 0.440 781 D N 1.782 122.171 120.400 -0.017 0.000 2.708 781 D HA -0.208 4.432 4.640 -0.000 0.000 0.236 781 D C 0.491 176.135 176.300 -1.093 0.000 1.146 781 D CA 1.750 55.525 54.000 -0.375 0.000 0.662 781 D CB -0.233 40.508 40.800 -0.098 0.000 1.059 781 D HN 1.123 nan 8.370 nan 0.000 0.428 782 R N -4.170 115.585 120.500 -1.242 0.000 2.829 782 R HA 0.354 4.694 4.340 -0.000 0.000 0.283 782 R C 0.197 176.525 176.300 0.047 0.000 1.013 782 R CA -0.821 54.827 56.100 -0.754 0.000 0.848 782 R CB 0.101 30.273 30.300 -0.214 0.000 1.291 782 R HN -0.206 nan 8.270 nan 0.000 0.496 783 T N 0.301 115.084 114.554 0.382 0.000 2.901 783 T HA 0.283 4.633 4.350 -0.000 0.000 0.252 783 T C 0.679 175.589 174.700 0.349 0.000 1.035 783 T CA 0.668 63.018 62.100 0.417 0.000 1.142 783 T CB -0.077 69.069 68.868 0.462 0.000 0.869 783 T HN 0.277 nan 8.240 nan 0.000 0.442 784 L N 0.417 121.769 121.223 0.215 0.000 2.277 784 L HA 0.399 4.739 4.340 -0.000 0.000 0.254 784 L C -1.961 174.855 176.870 -0.090 0.000 1.044 784 L CA -2.477 52.407 54.840 0.073 0.000 0.842 784 L CB 1.866 43.637 42.059 -0.480 0.000 1.422 784 L HN -0.216 nan 8.230 nan 0.000 0.422 785 P HA -0.037 nan 4.420 nan 0.000 0.247 785 P C 0.533 177.875 177.300 0.069 0.000 1.225 785 P CA 0.993 63.972 63.100 -0.202 0.000 0.768 785 P CB -0.131 31.454 31.700 -0.191 0.000 1.020 786 H N -1.984 116.957 119.070 -0.215 0.000 2.551 786 H HA 0.256 4.812 4.556 -0.000 0.000 0.271 786 H C 0.436 175.703 175.328 -0.101 0.000 0.984 786 H CA -0.339 55.574 56.048 -0.226 0.000 1.164 786 H CB 0.056 29.597 29.762 -0.368 0.000 1.437 786 H HN 0.176 nan 8.280 nan 0.000 0.550 787 F N 0.421 120.449 119.950 0.130 0.000 2.579 787 F HA 0.336 4.862 4.527 -0.000 0.000 0.324 787 F C 0.259 176.060 175.800 0.002 0.000 1.058 787 F CA -1.434 56.611 58.000 0.077 0.000 0.944 787 F CB 1.966 41.018 39.000 0.088 0.000 1.245 787 F HN -0.142 nan 8.300 nan 0.000 0.477 788 S N 1.697 117.527 115.700 0.217 0.000 2.537 788 S HA 0.210 4.680 4.470 -0.000 0.000 0.275 788 S C -0.160 174.448 174.600 0.013 0.000 1.272 788 S CA -0.933 57.313 58.200 0.077 0.000 1.050 788 S CB 0.940 64.175 63.200 0.059 0.000 0.961 788 S HN 0.422 nan 8.310 nan 0.000 0.496 789 K N 1.459 121.836 120.400 -0.038 0.000 2.443 789 K HA -0.088 4.232 4.320 -0.000 0.000 0.268 789 K C -0.352 176.196 176.600 -0.088 0.000 0.971 789 K CA 0.527 56.749 56.287 -0.107 0.000 0.902 789 K CB -0.067 32.387 32.500 -0.076 0.000 0.950 789 K HN 0.620 nan 8.250 nan 0.000 0.525 790 D N 1.123 121.448 120.400 -0.125 0.000 2.886 790 D HA -0.188 4.452 4.640 -0.000 0.000 0.221 790 D C -0.878 175.523 176.300 0.168 0.000 1.227 790 D CA 0.978 55.025 54.000 0.079 0.000 0.746 790 D CB -0.608 40.246 40.800 0.091 0.000 0.935 790 D HN 0.358 nan 8.370 nan 0.000 0.399 791 D N 0.163 120.646 120.400 0.139 0.000 2.461 791 D HA 0.145 4.785 4.640 -0.000 0.000 0.240 791 D C -0.127 176.434 176.300 0.436 0.000 1.094 791 D CA -0.600 53.513 54.000 0.189 0.000 0.868 791 D CB 0.464 41.238 40.800 -0.043 0.000 1.062 791 D HN 0.129 nan 8.370 nan 0.000 0.530 792 Y N 1.226 121.657 120.300 0.218 0.000 2.478 792 Y HA 0.020 4.570 4.550 -0.000 0.000 0.261 792 Y C 1.629 177.618 175.900 0.149 0.000 1.127 792 Y CA -0.143 58.107 58.100 0.249 0.000 1.288 792 Y CB -0.045 38.589 38.460 0.290 0.000 1.084 792 Y HN 0.299 nan 8.280 nan 0.000 0.530 793 S N 2.202 118.029 115.700 0.211 0.000 2.549 793 S HA -0.053 4.416 4.470 -0.000 0.000 0.278 793 S C -1.304 173.332 174.600 0.061 0.000 1.344 793 S CA -0.763 57.502 58.200 0.110 0.000 1.025 793 S CB 0.659 63.887 63.200 0.047 0.000 0.851 793 S HN 0.149 nan 8.310 nan 0.000 0.530 794 P HA -0.086 nan 4.420 nan 0.000 0.220 794 P C 0.592 178.001 177.300 0.182 0.000 1.148 794 P CA 1.157 64.299 63.100 0.070 0.000 0.803 794 P CB -0.076 31.586 31.700 -0.064 0.000 0.782 795 E N -0.405 119.875 120.200 0.133 0.000 2.515 795 E HA -0.044 4.306 4.350 -0.000 0.000 0.201 795 E C 1.956 178.672 176.600 0.193 0.000 1.071 795 E CA 0.741 57.256 56.400 0.192 0.000 0.880 795 E CB -0.473 29.291 29.700 0.107 0.000 0.828 795 E HN 0.246 nan 8.360 nan 0.000 0.540 796 S N -0.943 114.789 115.700 0.052 0.000 2.663 796 S HA 0.091 4.560 4.470 -0.000 0.000 0.247 796 S C 1.298 175.986 174.600 0.147 0.000 1.074 796 S CA -0.282 57.940 58.200 0.037 0.000 0.955 796 S CB 0.259 63.176 63.200 -0.472 0.000 0.901 796 S HN -0.098 nan 8.310 nan 0.000 0.505 797 K N 1.653 122.084 120.400 0.052 0.000 2.505 797 K HA 0.270 4.590 4.320 -0.000 0.000 0.192 797 K C 0.753 177.307 176.600 -0.077 0.000 1.025 797 K CA 0.674 56.913 56.287 -0.080 0.000 1.086 797 K CB 0.022 32.459 32.500 -0.104 0.000 0.840 797 K HN 0.557 nan 8.250 nan 0.000 0.514 798 G N 2.035 110.887 108.800 0.087 0.000 2.600 798 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.251 798 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.251 798 G C -0.797 174.314 174.900 0.351 0.000 1.142 798 G CA -0.565 44.708 45.100 0.289 0.000 0.994 798 G HN 0.247 nan 8.290 nan 0.000 0.511 799 F N 1.861 121.954 119.950 0.238 0.000 2.347 799 F HA 0.592 5.119 4.527 -0.000 0.000 0.366 799 F C 0.288 176.176 175.800 0.146 0.000 1.107 799 F CA -1.145 56.944 58.000 0.148 0.000 1.058 799 F CB 1.652 40.714 39.000 0.103 0.000 1.236 799 F HN 0.118 nan 8.300 nan 0.000 0.456 800 V N 7.526 127.146 119.914 -0.490 0.000 2.381 800 V HA 0.023 4.143 4.120 -0.000 0.000 0.257 800 V C 1.161 176.866 176.094 -0.648 0.000 1.057 800 V CA 0.277 62.340 62.300 -0.394 0.000 1.013 800 V CB 0.628 32.270 31.823 -0.302 0.000 1.069 800 V HN 0.933 nan 8.190 nan 0.000 0.484 801 E N 4.481 124.509 120.200 -0.286 0.000 2.046 801 E HA -0.089 4.261 4.350 -0.000 0.000 0.190 801 E C 1.228 177.784 176.600 -0.074 0.000 0.982 801 E CA 0.401 56.762 56.400 -0.066 0.000 0.800 801 E CB 0.242 30.072 29.700 0.217 0.000 0.756 801 E HN 0.756 nan 8.360 nan 0.000 0.449 802 N N 0.651 119.318 118.700 -0.055 0.000 2.204 802 N HA -0.032 4.708 4.740 -0.000 0.000 0.232 802 N C -0.272 175.174 175.510 -0.107 0.000 1.340 802 N CA 0.874 53.898 53.050 -0.043 0.000 0.883 802 N CB 0.676 39.161 38.487 -0.004 0.000 1.109 802 N HN 0.133 nan 8.380 nan 0.000 0.470 803 S N -1.561 114.097 115.700 -0.071 0.000 2.599 803 S HA 0.350 4.820 4.470 -0.000 0.000 0.294 803 S C 0.791 175.394 174.600 0.006 0.000 1.094 803 S CA -0.830 57.299 58.200 -0.119 0.000 0.931 803 S CB 0.756 63.908 63.200 -0.081 0.000 1.093 803 S HN 0.553 nan 8.310 nan 0.000 0.488 804 Y N -0.035 120.228 120.300 -0.062 0.000 2.465 804 Y HA -0.143 4.407 4.550 -0.000 0.000 0.289 804 Y C 2.071 177.957 175.900 -0.023 0.000 1.150 804 Y CA 0.493 58.567 58.100 -0.043 0.000 1.293 804 Y CB -0.078 38.356 38.460 -0.043 0.000 0.977 804 Y HN 0.586 nan 8.280 nan 0.000 0.556 805 L N 0.268 121.565 121.223 0.123 0.000 2.131 805 L HA -0.082 4.258 4.340 -0.000 0.000 0.206 805 L C 2.151 179.051 176.870 0.050 0.000 1.087 805 L CA 1.471 56.352 54.840 0.067 0.000 0.767 805 L CB -0.268 41.814 42.059 0.038 0.000 0.917 805 L HN -0.043 nan 8.230 nan 0.000 0.441 806 R N -0.063 120.464 120.500 0.046 0.000 2.100 806 R HA 0.334 4.673 4.340 -0.000 0.000 0.220 806 R C 0.371 176.696 176.300 0.043 0.000 1.091 806 R CA 0.640 56.760 56.100 0.034 0.000 0.986 806 R CB -0.258 30.055 30.300 0.022 0.000 0.888 806 R HN 0.440 nan 8.270 nan 0.000 0.444 807 G N 1.403 110.245 108.800 0.069 0.000 3.209 807 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.686 807 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.686 807 G C -0.744 174.201 174.900 0.075 0.000 1.065 807 G CA -1.003 44.143 45.100 0.077 0.000 0.812 807 G HN -0.029 nan 8.290 nan 0.000 0.573 808 L N 1.336 122.631 121.223 0.120 0.000 2.472 808 L HA 0.587 4.927 4.340 -0.000 0.000 0.273 808 L C 1.865 178.789 176.870 0.090 0.000 1.254 808 L CA 0.959 55.875 54.840 0.127 0.000 0.823 808 L CB 0.400 42.609 42.059 0.249 0.000 1.096 808 L HN 1.100 nan 8.230 nan 0.000 0.521 809 T N -2.309 112.296 114.554 0.086 0.000 2.945 809 T HA 0.432 4.782 4.350 -0.000 0.000 0.286 809 T C -1.994 172.745 174.700 0.065 0.000 1.025 809 T CA -1.919 60.212 62.100 0.052 0.000 1.039 809 T CB 1.445 70.345 68.868 0.054 0.000 1.068 809 T HN 0.380 nan 8.240 nan 0.000 0.497 810 P HA -0.196 nan 4.420 nan 0.000 0.218 810 P C 1.255 178.587 177.300 0.053 0.000 1.150 810 P CA 1.454 64.586 63.100 0.053 0.000 0.841 810 P CB 0.077 31.801 31.700 0.039 0.000 0.784 811 Q N -1.056 118.690 119.800 -0.090 0.000 2.107 811 Q HA -0.043 4.297 4.340 -0.000 0.000 0.195 811 Q C 2.167 177.828 176.000 -0.564 0.000 0.964 811 Q CA 0.932 56.446 55.803 -0.481 0.000 0.833 811 Q CB -0.750 27.718 28.738 -0.451 0.000 0.910 811 Q HN 0.273 nan 8.270 nan 0.000 0.465 812 E N 0.124 120.215 120.200 -0.182 0.000 2.147 812 E HA -0.243 4.107 4.350 -0.000 0.000 0.199 812 E C 1.580 178.222 176.600 0.069 0.000 1.005 812 E CA 1.155 57.544 56.400 -0.018 0.000 0.810 812 E CB -0.179 29.553 29.700 0.054 0.000 0.736 812 E HN 0.208 nan 8.360 nan 0.000 0.460 813 F N 0.441 120.368 119.950 -0.038 0.000 2.014 813 F HA -0.203 4.324 4.527 -0.000 0.000 0.295 813 F C 2.108 177.966 175.800 0.097 0.000 1.145 813 F CA 1.570 59.599 58.000 0.049 0.000 1.178 813 F CB -0.663 38.357 39.000 0.034 0.000 0.972 813 F HN -0.047 nan 8.300 nan 0.000 0.476 814 F N 0.104 120.090 119.950 0.060 0.000 2.154 814 F HA -0.305 4.222 4.527 -0.000 0.000 0.301 814 F C 2.171 178.047 175.800 0.127 0.000 1.087 814 F CA 1.830 59.845 58.000 0.025 0.000 1.274 814 F CB -0.556 38.465 39.000 0.036 0.000 1.009 814 F HN 0.037 nan 8.300 nan 0.000 0.485 815 F N -1.466 118.673 119.950 0.316 0.000 2.075 815 F HA -0.269 4.257 4.527 -0.000 0.000 0.297 815 F C 2.581 178.433 175.800 0.087 0.000 1.113 815 F CA 0.943 59.075 58.000 0.220 0.000 1.218 815 F CB -0.986 38.141 39.000 0.212 0.000 0.984 815 F HN 0.019 nan 8.300 nan 0.000 0.472 816 H N 0.792 119.939 119.070 0.128 0.000 2.394 816 H HA -0.213 4.343 4.556 -0.000 0.000 0.297 816 H C 1.942 177.193 175.328 -0.129 0.000 1.113 816 H CA 1.327 57.360 56.048 -0.025 0.000 1.277 816 H CB -0.438 29.266 29.762 -0.097 0.000 1.370 816 H HN 0.228 nan 8.280 nan 0.000 0.506 817 A N 0.510 123.166 122.820 -0.274 0.000 1.824 817 A HA -0.225 4.095 4.320 -0.000 0.000 0.215 817 A C 2.561 179.979 177.584 -0.277 0.000 1.209 817 A CA 2.049 53.838 52.037 -0.413 0.000 0.614 817 A CB -1.033 17.623 19.000 -0.573 0.000 0.852 817 A HN 0.515 nan 8.150 nan 0.000 0.447 818 M N -0.309 119.176 119.600 -0.192 0.000 2.164 818 M HA -0.260 4.220 4.480 -0.000 0.000 0.251 818 M C 2.077 178.328 176.300 -0.082 0.000 1.087 818 M CA 1.738 56.986 55.300 -0.087 0.000 1.071 818 M CB -0.812 31.819 32.600 0.052 0.000 1.347 818 M HN 0.583 nan 8.290 nan 0.000 0.399 819 G N -0.491 108.263 108.800 -0.077 0.000 2.404 819 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.214 819 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.214 819 G C 1.511 176.326 174.900 -0.141 0.000 1.189 819 G CA 0.787 45.842 45.100 -0.075 0.000 0.789 819 G HN 0.554 nan 8.290 nan 0.000 0.533 820 G N 1.004 109.647 108.800 -0.263 0.000 2.476 820 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.218 820 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.218 820 G C 1.856 176.648 174.900 -0.181 0.000 1.164 820 G CA 1.475 46.409 45.100 -0.277 0.000 0.768 820 G HN 0.509 nan 8.290 nan 0.000 0.560 821 R N 0.933 121.326 120.500 -0.178 0.000 2.153 821 R HA -0.161 4.179 4.340 -0.000 0.000 0.252 821 R C 2.267 178.511 176.300 -0.093 0.000 1.158 821 R CA 2.304 58.326 56.100 -0.131 0.000 0.975 821 R CB -0.749 29.474 30.300 -0.128 0.000 0.871 821 R HN 0.549 nan 8.270 nan 0.000 0.450 822 E N -1.271 118.878 120.200 -0.084 0.000 2.110 822 E HA -0.115 4.235 4.350 -0.000 0.000 0.193 822 E C 1.778 178.346 176.600 -0.053 0.000 0.988 822 E CA 1.208 57.572 56.400 -0.059 0.000 0.804 822 E CB -0.413 29.258 29.700 -0.049 0.000 0.745 822 E HN 0.585 nan 8.360 nan 0.000 0.458 823 G N 1.260 110.023 108.800 -0.062 0.000 2.453 823 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.215 823 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.215 823 G C 1.546 176.416 174.900 -0.049 0.000 1.201 823 G CA 0.797 45.867 45.100 -0.050 0.000 0.784 823 G HN 0.202 nan 8.290 nan 0.000 0.545 824 L N -0.246 120.941 121.223 -0.061 0.000 2.089 824 L HA -0.158 4.182 4.340 -0.000 0.000 0.213 824 L C 2.705 179.549 176.870 -0.044 0.000 1.079 824 L CA 0.610 55.417 54.840 -0.054 0.000 0.758 824 L CB -0.449 41.569 42.059 -0.067 0.000 0.891 824 L HN 0.198 nan 8.230 nan 0.000 0.433 825 I N 1.160 121.702 120.570 -0.046 0.000 2.060 825 I HA -0.322 3.848 4.170 -0.000 0.000 0.233 825 I C 2.146 178.247 176.117 -0.028 0.000 1.054 825 I CA 2.212 63.490 61.300 -0.036 0.000 1.318 825 I CB -0.459 37.519 38.000 -0.037 0.000 1.054 825 I HN 0.431 nan 8.210 nan 0.000 0.395 826 D N -1.620 118.765 120.400 -0.025 0.000 2.218 826 D HA -0.174 4.466 4.640 -0.000 0.000 0.204 826 D C 1.903 178.193 176.300 -0.018 0.000 0.976 826 D CA 1.492 55.481 54.000 -0.018 0.000 0.853 826 D CB -1.143 39.647 40.800 -0.016 0.000 0.939 826 D HN 0.283 nan 8.370 nan 0.000 0.481 827 T N -0.058 114.483 114.554 -0.023 0.000 2.685 827 T HA -0.180 4.170 4.350 -0.000 0.000 0.268 827 T C 1.727 176.417 174.700 -0.018 0.000 1.034 827 T CA 1.879 63.966 62.100 -0.021 0.000 1.149 827 T CB -0.462 68.390 68.868 -0.026 0.000 0.860 827 T HN 0.453 nan 8.240 nan 0.000 0.449 828 A N -0.080 122.729 122.820 -0.019 0.000 2.359 828 A HA 0.466 4.786 4.320 -0.000 0.000 0.240 828 A C 1.557 179.134 177.584 -0.012 0.000 1.306 828 A CA -0.006 52.022 52.037 -0.016 0.000 0.898 828 A CB 0.003 18.992 19.000 -0.019 0.000 0.956 828 A HN 0.356 nan 8.150 nan 0.000 0.497 829 V N -1.606 118.303 119.914 -0.009 0.000 3.658 829 V HA 0.056 4.176 4.120 -0.000 0.000 0.197 829 V C 1.917 178.013 176.094 0.003 0.000 1.295 829 V CA 0.810 63.108 62.300 -0.003 0.000 1.298 829 V CB -0.520 31.300 31.823 -0.005 0.000 1.347 829 V HN 0.314 nan 8.190 nan 0.000 0.548 830 K N 0.475 120.875 120.400 -0.000 0.000 2.293 830 K HA -0.213 4.107 4.320 -0.000 0.000 0.204 830 K C 2.091 178.692 176.600 0.002 0.000 1.045 830 K CA 2.025 58.313 56.287 0.001 0.000 0.933 830 K CB -0.365 32.131 32.500 -0.007 0.000 0.736 830 K HN 0.502 nan 8.250 nan 0.000 0.463 831 T N -1.288 113.265 114.554 -0.001 0.000 2.942 831 T HA 0.073 4.423 4.350 -0.000 0.000 0.265 831 T C 1.578 176.285 174.700 0.011 0.000 1.062 831 T CA 1.030 63.130 62.100 -0.001 0.000 1.139 831 T CB -0.046 68.818 68.868 -0.007 0.000 0.883 831 T HN 0.297 nan 8.240 nan 0.000 0.468 832 A N 0.635 123.465 122.820 0.017 0.000 1.878 832 A HA 0.138 4.458 4.320 -0.000 0.000 0.213 832 A C 2.101 179.727 177.584 0.070 0.000 1.192 832 A CA 1.539 53.594 52.037 0.030 0.000 0.619 832 A CB -0.686 18.320 19.000 0.011 0.000 0.837 832 A HN 0.527 nan 8.150 nan 0.000 0.446 833 E N -0.581 119.660 120.200 0.068 0.000 2.118 833 E HA -0.125 4.225 4.350 -0.000 0.000 0.195 833 E C 2.013 178.680 176.600 0.111 0.000 0.992 833 E CA 1.776 58.245 56.400 0.115 0.000 0.804 833 E CB -0.209 29.537 29.700 0.077 0.000 0.741 833 E HN 0.572 nan 8.360 nan 0.000 0.458 834 T N -0.985 113.602 114.554 0.054 0.000 2.668 834 T HA -0.117 4.232 4.350 -0.000 0.000 0.262 834 T C 1.784 176.501 174.700 0.028 0.000 1.045 834 T CA 1.313 63.424 62.100 0.018 0.000 1.152 834 T CB -0.765 68.099 68.868 -0.007 0.000 0.864 834 T HN 0.419 nan 8.240 nan 0.000 0.419 835 G N -0.355 108.471 108.800 0.044 0.000 2.499 835 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.221 835 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.221 835 G C 1.336 176.306 174.900 0.118 0.000 1.109 835 G CA 0.953 46.084 45.100 0.052 0.000 0.749 835 G HN 0.523 nan 8.290 nan 0.000 0.568 836 Y N 0.679 120.978 120.300 -0.002 0.000 2.205 836 Y HA 0.247 4.797 4.550 -0.000 0.000 0.292 836 Y C 2.557 178.465 175.900 0.014 0.000 1.119 836 Y CA 0.068 58.179 58.100 0.019 0.000 1.117 836 Y CB -0.387 38.093 38.460 0.033 0.000 1.037 836 Y HN 0.115 nan 8.280 nan 0.000 0.510 837 I N 0.558 121.063 120.570 -0.109 0.000 2.300 837 I HA -0.384 3.786 4.170 -0.000 0.000 0.252 837 I C 2.553 178.553 176.117 -0.195 0.000 1.119 837 I CA 1.555 62.731 61.300 -0.206 0.000 1.384 837 I CB -0.358 37.591 38.000 -0.085 0.000 1.062 837 I HN 0.413 nan 8.210 nan 0.000 0.426 838 Q N 1.123 120.849 119.800 -0.125 0.000 1.942 838 Q HA -0.261 4.079 4.340 -0.000 0.000 0.203 838 Q C 2.320 178.228 176.000 -0.154 0.000 0.987 838 Q CA 1.876 57.607 55.803 -0.121 0.000 0.844 838 Q CB -0.387 28.305 28.738 -0.077 0.000 0.911 838 Q HN 0.420 nan 8.270 nan 0.000 0.423 839 R N 0.190 120.620 120.500 -0.117 0.000 2.140 839 R HA -0.226 4.114 4.340 -0.000 0.000 0.250 839 R C 2.309 178.458 176.300 -0.253 0.000 1.150 839 R CA 2.143 58.170 56.100 -0.122 0.000 0.966 839 R CB -0.135 30.171 30.300 0.009 0.000 0.869 839 R HN 0.195 nan 8.270 nan 0.000 0.445 840 R N 0.375 120.673 120.500 -0.337 0.000 2.080 840 R HA -0.114 4.226 4.340 -0.000 0.000 0.236 840 R C 2.536 178.592 176.300 -0.407 0.000 1.137 840 R CA 1.866 57.715 56.100 -0.417 0.000 0.943 840 R CB -0.678 29.414 30.300 -0.347 0.000 0.846 840 R HN 0.244 nan 8.270 nan 0.000 0.431 841 L N 0.648 121.680 121.223 -0.319 0.000 2.034 841 L HA -0.288 4.052 4.340 -0.000 0.000 0.217 841 L C 2.316 178.991 176.870 -0.325 0.000 1.077 841 L CA 1.575 56.234 54.840 -0.301 0.000 0.769 841 L CB -0.496 41.431 42.059 -0.220 0.000 0.890 841 L HN 0.145 nan 8.230 nan 0.000 0.435 842 V N -1.554 118.193 119.914 -0.279 0.000 2.283 842 V HA -0.214 3.906 4.120 -0.000 0.000 0.243 842 V C 2.339 178.264 176.094 -0.281 0.000 1.039 842 V CA 1.363 63.519 62.300 -0.239 0.000 1.016 842 V CB -0.687 31.030 31.823 -0.177 0.000 0.650 842 V HN 0.302 nan 8.190 nan 0.000 0.449 843 K N 0.815 121.017 120.400 -0.329 0.000 2.442 843 K HA 0.012 4.332 4.320 -0.000 0.000 0.199 843 K C 1.513 177.879 176.600 -0.390 0.000 1.044 843 K CA 1.195 57.296 56.287 -0.311 0.000 0.941 843 K CB -0.484 31.742 32.500 -0.456 0.000 0.759 843 K HN 0.559 nan 8.250 nan 0.000 0.472 844 A N 0.016 122.417 122.820 -0.698 0.000 2.610 844 A HA 0.334 4.654 4.320 -0.000 0.000 0.286 844 A C 1.016 178.249 177.584 -0.586 0.000 1.306 844 A CA -0.172 51.165 52.037 -1.166 0.000 0.942 844 A CB 0.080 18.000 19.000 -1.800 0.000 1.112 844 A HN 0.220 nan 8.150 nan 0.000 0.527 845 L N -2.774 118.241 121.223 -0.347 0.000 4.379 845 L HA 0.063 4.403 4.340 -0.000 0.000 0.437 845 L C 1.478 178.255 176.870 -0.155 0.000 0.984 845 L CA 0.094 54.799 54.840 -0.226 0.000 1.693 845 L CB -0.357 41.575 42.059 -0.211 0.000 1.966 845 L HN 0.316 nan 8.230 nan 0.000 0.629 846 E N 1.858 121.968 120.200 -0.149 0.000 2.517 846 E HA -0.363 3.986 4.350 -0.000 0.000 0.251 846 E C 0.791 177.343 176.600 -0.080 0.000 0.990 846 E CA 2.334 58.672 56.400 -0.103 0.000 1.133 846 E CB -0.611 29.043 29.700 -0.076 0.000 1.088 846 E HN 0.645 nan 8.360 nan 0.000 0.516 847 D N 1.189 121.555 120.400 -0.056 0.000 2.407 847 D HA -0.120 4.520 4.640 -0.000 0.000 0.234 847 D C 0.423 176.710 176.300 -0.022 0.000 1.029 847 D CA 0.628 54.611 54.000 -0.029 0.000 0.937 847 D CB -0.542 40.254 40.800 -0.007 0.000 0.882 847 D HN 0.218 nan 8.370 nan 0.000 0.531 848 I N 1.151 121.683 120.570 -0.063 0.000 2.325 848 I HA 0.262 4.432 4.170 -0.000 0.000 0.291 848 I C 0.574 176.633 176.117 -0.097 0.000 1.019 848 I CA -0.505 60.743 61.300 -0.087 0.000 1.302 848 I CB 0.832 38.763 38.000 -0.115 0.000 1.401 848 I HN 0.031 nan 8.210 nan 0.000 0.485 849 M N 5.349 124.896 119.600 -0.087 0.000 3.079 849 M HA 0.611 5.090 4.480 -0.000 0.000 0.277 849 M C -1.836 174.394 176.300 -0.115 0.000 1.317 849 M CA -0.849 54.402 55.300 -0.082 0.000 0.793 849 M CB 2.286 34.893 32.600 0.010 0.000 1.690 849 M HN 0.048 nan 8.290 nan 0.000 0.451 850 V N 1.888 121.769 119.914 -0.055 0.000 2.333 850 V HA 0.379 4.499 4.120 -0.000 0.000 0.274 850 V C -0.536 175.639 176.094 0.135 0.000 1.028 850 V CA -0.328 61.960 62.300 -0.021 0.000 0.851 850 V CB 0.350 32.176 31.823 0.005 0.000 1.000 850 V HN 0.743 nan 8.190 nan 0.000 0.456 851 H N 3.819 122.875 119.070 -0.024 0.000 2.582 851 H HA 0.183 4.739 4.556 -0.000 0.000 0.345 851 H C 0.541 175.918 175.328 0.082 0.000 1.104 851 H CA -0.602 55.428 56.048 -0.030 0.000 1.390 851 H CB 1.028 30.788 29.762 -0.004 0.000 1.461 851 H HN 0.643 nan 8.280 nan 0.000 0.551 852 Y N 1.147 121.555 120.300 0.180 0.000 2.422 852 Y HA -0.346 4.204 4.550 -0.000 0.000 0.268 852 Y C 1.560 177.521 175.900 0.102 0.000 1.223 852 Y CA 1.077 59.251 58.100 0.122 0.000 1.438 852 Y CB -0.039 38.481 38.460 0.100 0.000 0.968 852 Y HN 0.748 nan 8.280 nan 0.000 0.597 853 D N -2.869 117.695 120.400 0.274 0.000 2.379 853 D HA -0.017 4.623 4.640 -0.000 0.000 0.208 853 D C 0.481 176.875 176.300 0.157 0.000 1.065 853 D CA 0.293 54.403 54.000 0.183 0.000 0.848 853 D CB -0.051 40.846 40.800 0.162 0.000 0.949 853 D HN 0.121 nan 8.370 nan 0.000 0.509 854 N N -0.944 117.856 118.700 0.167 0.000 3.049 854 N HA -0.154 4.585 4.740 -0.000 0.000 0.243 854 N C -0.932 174.654 175.510 0.126 0.000 1.053 854 N CA 0.861 53.996 53.050 0.142 0.000 0.869 854 N CB -1.414 37.150 38.487 0.129 0.000 1.114 854 N HN 0.393 nan 8.380 nan 0.000 0.547 855 T N 0.297 114.909 114.554 0.097 0.000 2.875 855 T HA 0.426 4.776 4.350 -0.000 0.000 0.284 855 T C -0.002 174.628 174.700 -0.116 0.000 0.995 855 T CA 0.291 62.414 62.100 0.039 0.000 1.060 855 T CB 0.944 69.848 68.868 0.060 0.000 0.967 855 T HN 0.079 nan 8.240 nan 0.000 0.476 856 T N 6.862 121.325 114.554 -0.152 0.000 2.832 856 T HA 0.477 4.827 4.350 -0.000 0.000 0.313 856 T C 0.255 174.768 174.700 -0.311 0.000 1.035 856 T CA -0.613 61.349 62.100 -0.231 0.000 0.950 856 T CB 0.310 69.109 68.868 -0.114 0.000 0.984 856 T HN 0.573 nan 8.240 nan 0.000 0.486 857 R N 2.606 122.803 120.500 -0.504 0.000 3.328 857 R HA 0.641 4.981 4.340 -0.000 0.000 0.232 857 R C 0.181 176.368 176.300 -0.188 0.000 1.606 857 R CA -1.118 54.775 56.100 -0.344 0.000 1.025 857 R CB 1.024 31.140 30.300 -0.307 0.000 1.701 857 R HN 0.695 nan 8.270 nan 0.000 0.526 858 N N -1.629 117.050 118.700 -0.036 0.000 3.506 858 N HA 0.072 4.811 4.740 -0.000 0.000 0.331 858 N C 0.301 175.863 175.510 0.086 0.000 1.631 858 N CA -0.437 52.631 53.050 0.031 0.000 0.786 858 N CB 0.933 39.417 38.487 -0.006 0.000 2.023 858 N HN 0.402 nan 8.380 nan 0.000 0.621 859 S N -0.341 115.391 115.700 0.054 0.000 2.469 859 S HA -0.038 4.432 4.470 -0.000 0.000 0.238 859 S C 1.492 176.123 174.600 0.051 0.000 0.998 859 S CA 0.651 58.880 58.200 0.048 0.000 0.957 859 S CB -0.674 62.547 63.200 0.035 0.000 0.764 859 S HN 0.482 nan 8.310 nan 0.000 0.514 860 L N 0.423 121.676 121.223 0.050 0.000 2.607 860 L HA 0.364 4.704 4.340 -0.000 0.000 0.228 860 L C 1.931 178.832 176.870 0.052 0.000 1.123 860 L CA 0.290 55.157 54.840 0.046 0.000 0.890 860 L CB -0.779 41.302 42.059 0.037 0.000 1.103 860 L HN 0.527 nan 8.230 nan 0.000 0.468 861 G N 0.616 109.459 108.800 0.072 0.000 2.175 861 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.265 861 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.265 861 G C 0.127 175.040 174.900 0.022 0.000 0.979 861 G CA 0.161 45.312 45.100 0.084 0.000 0.663 861 G HN 0.426 nan 8.290 nan 0.000 0.533 862 N N 0.578 119.280 118.700 0.004 0.000 2.414 862 N HA 0.315 5.055 4.740 -0.000 0.000 0.268 862 N C 0.783 176.241 175.510 -0.086 0.000 1.286 862 N CA 0.160 53.196 53.050 -0.022 0.000 0.896 862 N CB 1.042 39.521 38.487 -0.013 0.000 1.093 862 N HN 0.246 nan 8.380 nan 0.000 0.480 863 V N 3.613 123.453 119.914 -0.123 0.000 2.694 863 V HA -0.022 4.098 4.120 -0.000 0.000 0.306 863 V C 1.598 177.513 176.094 -0.299 0.000 1.054 863 V CA 0.576 62.714 62.300 -0.270 0.000 1.161 863 V CB 0.222 31.772 31.823 -0.455 0.000 0.916 863 V HN 0.614 nan 8.190 nan 0.000 0.490 864 I N 2.257 122.647 120.570 -0.300 0.000 4.439 864 I HA 0.295 4.465 4.170 -0.000 0.000 0.331 864 I C 0.379 176.367 176.117 -0.215 0.000 1.345 864 I CA 0.315 61.485 61.300 -0.216 0.000 1.193 864 I CB 0.482 38.396 38.000 -0.143 0.000 1.221 864 I HN 0.620 nan 8.210 nan 0.000 0.429 865 Q N -0.458 119.163 119.800 -0.298 0.000 2.593 865 Q HA 0.257 4.597 4.340 -0.000 0.000 0.242 865 Q C -0.561 175.318 176.000 -0.202 0.000 0.944 865 Q CA -0.327 55.371 55.803 -0.174 0.000 1.041 865 Q CB 1.726 30.465 28.738 0.002 0.000 1.588 865 Q HN 0.050 nan 8.270 nan 0.000 0.464 866 F N 1.190 121.167 119.950 0.045 0.000 2.259 866 F HA 0.072 4.599 4.527 -0.000 0.000 0.298 866 F C 0.800 176.632 175.800 0.055 0.000 1.088 866 F CA 0.828 58.852 58.000 0.041 0.000 1.358 866 F CB 0.551 39.575 39.000 0.039 0.000 1.040 866 F HN 0.360 nan 8.300 nan 0.000 0.505 867 I N -0.897 119.814 120.570 0.236 0.000 2.503 867 I HA 0.094 4.264 4.170 -0.000 0.000 0.282 867 I C -0.804 175.412 176.117 0.165 0.000 1.059 867 I CA -1.128 60.277 61.300 0.175 0.000 1.081 867 I CB 0.584 38.667 38.000 0.139 0.000 1.210 867 I HN -0.125 nan 8.210 nan 0.000 0.450 868 Y N 6.829 127.157 120.300 0.046 0.000 2.996 868 Y HA 0.186 4.735 4.550 -0.000 0.000 0.347 868 Y C 1.458 177.389 175.900 0.052 0.000 1.276 868 Y CA 1.173 59.294 58.100 0.035 0.000 1.601 868 Y CB -0.016 38.461 38.460 0.028 0.000 1.193 868 Y HN 0.926 nan 8.280 nan 0.000 0.582 869 G N 4.499 113.179 108.800 -0.200 0.000 2.168 869 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.257 869 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.257 869 G C 0.289 175.162 174.900 -0.045 0.000 0.997 869 G CA 0.413 45.337 45.100 -0.292 0.000 0.708 869 G HN 0.982 nan 8.290 nan 0.000 0.520 870 E N -1.034 119.189 120.200 0.039 0.000 2.389 870 E HA -0.255 4.095 4.350 -0.000 0.000 0.243 870 E C 0.838 177.442 176.600 0.006 0.000 1.154 870 E CA 1.141 57.580 56.400 0.066 0.000 0.723 870 E CB -0.796 28.972 29.700 0.112 0.000 1.261 870 E HN 1.027 nan 8.360 nan 0.000 0.390 871 D N -2.877 117.508 120.400 -0.025 0.000 2.481 871 D HA -0.020 4.619 4.640 -0.000 0.000 0.568 871 D C 0.906 177.171 176.300 -0.058 0.000 0.968 871 D CA 0.553 54.529 54.000 -0.040 0.000 1.126 871 D CB -0.834 39.923 40.800 -0.072 0.000 1.576 871 D HN 0.479 nan 8.370 nan 0.000 0.365 872 G N 1.356 110.120 108.800 -0.059 0.000 2.225 872 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.267 872 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.267 872 G C -0.056 174.799 174.900 -0.076 0.000 1.024 872 G CA 0.983 46.077 45.100 -0.010 0.000 0.784 872 G HN 0.401 nan 8.290 nan 0.000 0.507 873 M N 0.832 120.330 119.600 -0.170 0.000 2.238 873 M HA 0.419 4.899 4.480 -0.000 0.000 0.350 873 M C -0.120 176.134 176.300 -0.075 0.000 1.138 873 M CA -1.561 53.631 55.300 -0.180 0.000 1.040 873 M CB 1.529 33.997 32.600 -0.220 0.000 1.639 873 M HN 0.132 nan 8.290 nan 0.000 0.451 874 D N 3.341 123.768 120.400 0.044 0.000 2.359 874 D HA 0.271 4.911 4.640 -0.000 0.000 0.250 874 D C 1.042 177.462 176.300 0.201 0.000 1.264 874 D CA 0.363 54.494 54.000 0.218 0.000 0.911 874 D CB 0.760 41.748 40.800 0.313 0.000 1.056 874 D HN 0.753 nan 8.370 nan 0.000 0.499 875 A N 4.838 127.745 122.820 0.144 0.000 1.971 875 A HA -0.355 3.965 4.320 -0.000 0.000 0.231 875 A C 2.236 179.902 177.584 0.136 0.000 1.546 875 A CA 2.999 55.101 52.037 0.108 0.000 0.716 875 A CB -1.147 17.924 19.000 0.118 0.000 0.839 875 A HN 0.773 nan 8.150 nan 0.000 0.513 876 A N -1.495 121.408 122.820 0.139 0.000 1.927 876 A HA -0.216 4.103 4.320 -0.000 0.000 0.220 876 A C 1.504 179.085 177.584 -0.004 0.000 1.185 876 A CA 1.490 53.549 52.037 0.037 0.000 0.639 876 A CB -0.918 18.054 19.000 -0.046 0.000 0.820 876 A HN 0.768 nan 8.150 nan 0.000 0.451 877 H N -0.620 118.485 119.070 0.058 0.000 2.983 877 H HA 0.439 4.995 4.556 -0.000 0.000 0.222 877 H C -0.743 174.606 175.328 0.034 0.000 1.828 877 H CA 0.176 56.248 56.048 0.039 0.000 1.309 877 H CB -0.597 29.151 29.762 -0.024 0.000 1.644 877 H HN 0.364 nan 8.280 nan 0.000 0.561 878 I N 0.856 121.525 120.570 0.166 0.000 2.802 878 I HA 0.265 4.435 4.170 -0.000 0.000 0.298 878 I C -0.597 175.608 176.117 0.147 0.000 1.176 878 I CA -0.752 60.631 61.300 0.139 0.000 1.025 878 I CB 2.943 41.022 38.000 0.131 0.000 1.243 878 I HN 0.164 nan 8.210 nan 0.000 0.424 879 E N 3.250 123.506 120.200 0.094 0.000 2.390 879 E HA 0.328 4.678 4.350 -0.000 0.000 0.277 879 E C -1.386 175.239 176.600 0.041 0.000 0.939 879 E CA -1.136 55.285 56.400 0.034 0.000 0.769 879 E CB 2.518 32.175 29.700 -0.071 0.000 1.251 879 E HN 0.346 nan 8.360 nan 0.000 0.450 880 K N 2.582 122.982 120.400 0.001 0.000 2.165 880 K HA 0.032 4.352 4.320 -0.000 0.000 0.270 880 K C -0.382 176.234 176.600 0.025 0.000 1.091 880 K CA 0.266 56.554 56.287 0.002 0.000 1.019 880 K CB 0.117 32.575 32.500 -0.070 0.000 1.101 880 K HN 0.317 nan 8.250 nan 0.000 0.397 881 Q N 0.612 120.457 119.800 0.074 0.000 2.221 881 Q HA 0.187 4.527 4.340 -0.000 0.000 0.242 881 Q C -0.318 175.735 176.000 0.087 0.000 0.940 881 Q CA -0.526 55.317 55.803 0.067 0.000 0.896 881 Q CB 1.823 30.607 28.738 0.077 0.000 1.226 881 Q HN 0.289 nan 8.270 nan 0.000 0.463 882 S N 1.227 116.963 115.700 0.061 0.000 2.442 882 S HA 0.340 4.810 4.470 -0.000 0.000 0.297 882 S C -0.338 174.292 174.600 0.050 0.000 1.131 882 S CA -0.689 57.553 58.200 0.070 0.000 1.092 882 S CB 0.200 63.425 63.200 0.043 0.000 0.998 882 S HN 0.470 nan 8.310 nan 0.000 0.478 883 L N 5.774 127.030 121.223 0.056 0.000 2.399 883 L HA 0.210 4.550 4.340 -0.000 0.000 0.257 883 L C 0.971 177.828 176.870 -0.022 0.000 1.236 883 L CA -0.493 54.331 54.840 -0.026 0.000 1.144 883 L CB -0.054 41.935 42.059 -0.117 0.000 1.379 883 L HN 0.731 nan 8.230 nan 0.000 0.414 884 D N 0.462 120.869 120.400 0.011 0.000 2.133 884 D HA -0.198 4.442 4.640 -0.000 0.000 0.192 884 D C 1.628 177.941 176.300 0.022 0.000 1.001 884 D CA 1.724 55.749 54.000 0.042 0.000 0.844 884 D CB 0.003 40.866 40.800 0.106 0.000 0.944 884 D HN 0.446 nan 8.370 nan 0.000 0.447 885 T N 1.009 115.544 114.554 -0.031 0.000 3.093 885 T HA -0.118 4.232 4.350 -0.000 0.000 0.270 885 T C 1.811 176.494 174.700 -0.027 0.000 1.170 885 T CA 0.269 62.319 62.100 -0.084 0.000 1.072 885 T CB -0.030 68.755 68.868 -0.139 0.000 0.863 885 T HN 0.270 nan 8.240 nan 0.000 0.562 886 I N -0.428 120.110 120.570 -0.053 0.000 2.681 886 I HA 0.320 4.490 4.170 -0.000 0.000 0.247 886 I C 1.377 177.470 176.117 -0.041 0.000 1.091 886 I CA 0.181 61.435 61.300 -0.075 0.000 1.442 886 I CB 0.081 37.995 38.000 -0.143 0.000 1.219 886 I HN 0.234 nan 8.210 nan 0.000 0.451 887 G N 0.071 108.835 108.800 -0.060 0.000 2.451 887 G HA2 0.520 4.480 3.960 -0.000 0.000 0.303 887 G HA3 0.520 4.480 3.960 -0.000 0.000 0.303 887 G C -0.613 174.317 174.900 0.051 0.000 1.166 887 G CA 0.164 45.232 45.100 -0.052 0.000 0.884 887 G HN 0.703 nan 8.290 nan 0.000 0.514 888 G N -0.593 108.266 108.800 0.098 0.000 2.627 888 G HA2 0.414 4.374 3.960 -0.000 0.000 0.680 888 G HA3 0.414 4.374 3.960 -0.000 0.000 0.680 888 G C -0.007 174.968 174.900 0.125 0.000 1.341 888 G CA -0.053 45.111 45.100 0.107 0.000 0.835 888 G HN 1.905 nan 8.290 nan 0.000 0.643 889 S N 0.831 116.596 115.700 0.107 0.000 2.554 889 S HA 0.103 4.573 4.470 -0.000 0.000 0.290 889 S C 1.020 175.683 174.600 0.106 0.000 1.309 889 S CA 0.794 59.050 58.200 0.094 0.000 1.047 889 S CB 1.111 64.357 63.200 0.077 0.000 0.828 889 S HN 0.583 nan 8.310 nan 0.000 0.509 890 D N 2.068 122.510 120.400 0.071 0.000 2.265 890 D HA -0.102 4.538 4.640 -0.000 0.000 0.208 890 D C 2.015 178.396 176.300 0.134 0.000 0.977 890 D CA 1.441 55.476 54.000 0.058 0.000 0.871 890 D CB -0.389 40.417 40.800 0.010 0.000 0.925 890 D HN 0.727 nan 8.370 nan 0.000 0.485 891 A N 1.612 124.503 122.820 0.117 0.000 1.824 891 A HA -0.068 4.252 4.320 -0.000 0.000 0.215 891 A C 2.434 180.115 177.584 0.162 0.000 1.209 891 A CA 2.281 54.392 52.037 0.124 0.000 0.614 891 A CB -1.146 17.905 19.000 0.085 0.000 0.852 891 A HN 0.210 nan 8.150 nan 0.000 0.447 892 A N -1.088 121.814 122.820 0.137 0.000 1.923 892 A HA -0.307 4.013 4.320 -0.000 0.000 0.222 892 A C 2.064 179.765 177.584 0.195 0.000 1.258 892 A CA 2.396 54.513 52.037 0.133 0.000 0.670 892 A CB -1.221 17.848 19.000 0.116 0.000 0.834 892 A HN 0.901 nan 8.150 nan 0.000 0.470 893 F N 0.632 120.631 119.950 0.081 0.000 2.063 893 F HA -0.302 4.225 4.527 -0.000 0.000 0.297 893 F C 2.373 178.292 175.800 0.198 0.000 1.099 893 F CA 2.601 60.647 58.000 0.077 0.000 1.220 893 F CB -0.288 38.688 39.000 -0.040 0.000 0.972 893 F HN 0.435 nan 8.300 nan 0.000 0.487 894 E N -0.027 120.420 120.200 0.412 0.000 2.012 894 E HA -0.320 4.030 4.350 -0.000 0.000 0.197 894 E C 2.212 178.903 176.600 0.152 0.000 1.007 894 E CA 1.588 58.203 56.400 0.359 0.000 0.816 894 E CB -0.441 29.429 29.700 0.284 0.000 0.762 894 E HN 0.364 nan 8.360 nan 0.000 0.451 895 K N 0.847 121.290 120.400 0.072 0.000 2.366 895 K HA -0.244 4.076 4.320 -0.000 0.000 0.202 895 K C 2.031 178.595 176.600 -0.059 0.000 1.045 895 K CA 1.302 57.574 56.287 -0.025 0.000 0.934 895 K CB 0.076 32.568 32.500 -0.014 0.000 0.746 895 K HN -0.057 nan 8.250 nan 0.000 0.470 896 R N -1.252 119.230 120.500 -0.030 0.000 2.009 896 R HA 0.019 4.359 4.340 -0.000 0.000 0.206 896 R C 1.704 177.840 176.300 -0.274 0.000 1.356 896 R CA 0.661 56.654 56.100 -0.178 0.000 1.088 896 R CB -0.207 29.989 30.300 -0.174 0.000 0.959 896 R HN 0.134 nan 8.270 nan 0.000 0.469 897 Y N 0.703 120.814 120.300 -0.315 0.000 2.561 897 Y HA 0.130 4.680 4.550 -0.000 0.000 0.291 897 Y C 0.729 176.649 175.900 0.033 0.000 1.141 897 Y CA 0.154 58.072 58.100 -0.303 0.000 1.303 897 Y CB -0.262 37.748 38.460 -0.750 0.000 1.015 897 Y HN -0.087 nan 8.280 nan 0.000 0.547 898 R N 1.073 121.784 120.500 0.352 0.000 2.389 898 R HA 0.419 4.759 4.340 -0.000 0.000 0.295 898 R C -1.475 174.893 176.300 0.114 0.000 1.075 898 R CA -0.423 55.898 56.100 0.369 0.000 1.005 898 R CB 0.275 30.712 30.300 0.229 0.000 0.987 898 R HN -0.099 nan 8.270 nan 0.000 0.452 899 V N 4.798 124.774 119.914 0.103 0.000 2.567 899 V HA 0.259 4.379 4.120 -0.000 0.000 0.298 899 V C -1.106 175.013 176.094 0.042 0.000 1.047 899 V CA -0.901 61.427 62.300 0.047 0.000 0.880 899 V CB 1.886 33.731 31.823 0.036 0.000 1.009 899 V HN 0.727 nan 8.190 nan 0.000 0.429 900 D N 4.406 124.841 120.400 0.058 0.000 2.454 900 D HA 0.373 5.013 4.640 -0.000 0.000 0.247 900 D C 0.696 177.015 176.300 0.032 0.000 1.129 900 D CA -0.351 53.675 54.000 0.044 0.000 0.877 900 D CB 1.782 42.625 40.800 0.071 0.000 1.082 900 D HN 0.457 nan 8.370 nan 0.000 0.537 901 L N 3.007 124.237 121.223 0.013 0.000 2.622 901 L HA 0.057 4.397 4.340 -0.000 0.000 0.233 901 L C 0.963 177.833 176.870 0.000 0.000 1.156 901 L CA 0.598 55.441 54.840 0.005 0.000 0.866 901 L CB -0.046 42.013 42.059 -0.000 0.000 0.980 901 L HN 0.343 nan 8.230 nan 0.000 0.448 902 L N 0.002 121.223 121.223 -0.004 0.000 2.935 902 L HA 0.369 4.709 4.340 -0.000 0.000 0.243 902 L C -0.357 176.500 176.870 -0.021 0.000 1.313 902 L CA -0.048 54.784 54.840 -0.014 0.000 0.969 902 L CB -0.297 41.748 42.059 -0.022 0.000 1.320 902 L HN 0.225 nan 8.230 nan 0.000 0.511 903 N N -1.163 117.533 118.700 -0.007 0.000 3.049 903 N HA 0.098 4.838 4.740 -0.000 0.000 0.244 903 N C -0.030 175.488 175.510 0.013 0.000 1.203 903 N CA -0.269 52.774 53.050 -0.011 0.000 0.945 903 N CB 1.782 40.254 38.487 -0.025 0.000 1.616 903 N HN -0.088 nan 8.380 nan 0.000 0.505 904 T N 0.085 114.643 114.554 0.007 0.000 3.129 904 T HA 0.105 4.455 4.350 -0.000 0.000 0.251 904 T C 0.012 174.735 174.700 0.040 0.000 1.117 904 T CA 0.643 62.753 62.100 0.016 0.000 1.034 904 T CB -0.017 68.854 68.868 0.006 0.000 0.968 904 T HN 0.458 nan 8.240 nan 0.000 0.526 905 D N -0.333 120.114 120.400 0.078 0.000 2.473 905 D HA 0.080 4.720 4.640 -0.000 0.000 0.242 905 D C 0.914 177.379 176.300 0.274 0.000 1.106 905 D CA 0.332 54.422 54.000 0.150 0.000 0.854 905 D CB 0.340 41.236 40.800 0.161 0.000 1.192 905 D HN 0.311 nan 8.370 nan 0.000 0.503 906 H N -0.100 118.960 119.070 -0.017 0.000 2.827 906 H HA 0.187 4.743 4.556 -0.000 0.000 0.269 906 H C 0.630 175.946 175.328 -0.020 0.000 1.031 906 H CA 0.055 56.092 56.048 -0.019 0.000 1.202 906 H CB 0.572 30.319 29.762 -0.026 0.000 1.511 906 H HN -0.092 nan 8.280 nan 0.000 0.517 907 T N 0.535 115.141 114.554 0.087 0.000 2.754 907 T HA 0.305 4.654 4.350 -0.000 0.000 0.286 907 T C 0.287 174.990 174.700 0.006 0.000 0.997 907 T CA -0.611 61.510 62.100 0.035 0.000 0.982 907 T CB 0.283 69.163 68.868 0.020 0.000 1.027 907 T HN 0.110 nan 8.240 nan 0.000 0.529 908 L N 2.880 124.098 121.223 -0.008 0.000 2.331 908 L HA 0.291 4.631 4.340 -0.000 0.000 0.278 908 L C 0.837 177.696 176.870 -0.019 0.000 1.106 908 L CA -0.643 54.182 54.840 -0.024 0.000 0.824 908 L CB 0.480 42.521 42.059 -0.031 0.000 1.142 908 L HN 0.656 nan 8.230 nan 0.000 0.443 909 D N 6.273 126.660 120.400 -0.023 0.000 2.401 909 D HA 0.032 4.672 4.640 -0.000 0.000 0.254 909 D C -1.466 174.824 176.300 -0.016 0.000 1.192 909 D CA -1.380 52.610 54.000 -0.016 0.000 0.885 909 D CB 1.574 42.363 40.800 -0.018 0.000 1.147 909 D HN 0.338 nan 8.370 nan 0.000 0.478 910 P HA -0.151 nan 4.420 nan 0.000 0.231 910 P C 1.021 178.315 177.300 -0.010 0.000 1.154 910 P CA 0.616 63.709 63.100 -0.012 0.000 0.762 910 P CB 0.066 31.760 31.700 -0.009 0.000 0.790 911 S N -1.052 114.643 115.700 -0.009 0.000 2.446 911 S HA -0.003 4.467 4.470 -0.000 0.000 0.225 911 S C 1.934 176.531 174.600 -0.004 0.000 1.016 911 S CA 0.237 58.435 58.200 -0.005 0.000 0.943 911 S CB -1.165 62.034 63.200 -0.003 0.000 0.786 911 S HN 0.123 nan 8.310 nan 0.000 0.508 912 L N -0.083 121.133 121.223 -0.012 0.000 2.102 912 L HA 0.362 4.702 4.340 -0.000 0.000 0.202 912 L C 0.862 177.723 176.870 -0.016 0.000 1.076 912 L CA 0.259 55.090 54.840 -0.014 0.000 0.761 912 L CB -0.374 41.667 42.059 -0.031 0.000 0.921 912 L HN 0.302 nan 8.230 nan 0.000 0.444 913 L N -0.325 120.885 121.223 -0.022 0.000 2.334 913 L HA 0.199 4.539 4.340 -0.000 0.000 0.275 913 L C 0.976 177.834 176.870 -0.020 0.000 1.036 913 L CA 0.123 54.947 54.840 -0.027 0.000 0.807 913 L CB 1.400 43.439 42.059 -0.035 0.000 1.231 913 L HN 0.071 nan 8.230 nan 0.000 0.438 914 E N 0.744 120.932 120.200 -0.020 0.000 2.051 914 E HA -0.125 4.225 4.350 -0.000 0.000 0.189 914 E C 1.188 177.778 176.600 -0.016 0.000 0.979 914 E CA 1.174 57.565 56.400 -0.015 0.000 0.803 914 E CB 0.172 29.864 29.700 -0.014 0.000 0.761 914 E HN 0.838 nan 8.360 nan 0.000 0.451 915 S N -0.052 115.635 115.700 -0.021 0.000 2.720 915 S HA 0.130 4.600 4.470 -0.000 0.000 0.222 915 S C 1.427 176.016 174.600 -0.019 0.000 0.958 915 S CA 0.039 58.227 58.200 -0.020 0.000 0.943 915 S CB -0.090 63.095 63.200 -0.025 0.000 0.779 915 S HN 0.391 nan 8.310 nan 0.000 0.526 916 G N 3.528 112.317 108.800 -0.019 0.000 2.911 916 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.193 916 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.193 916 G C 1.644 176.536 174.900 -0.013 0.000 1.364 916 G CA 1.961 47.051 45.100 -0.017 0.000 0.798 916 G HN 0.926 nan 8.290 nan 0.000 0.749 917 S N 1.008 116.702 115.700 -0.010 0.000 2.422 917 S HA -0.328 4.142 4.470 -0.000 0.000 0.241 917 S C 1.990 176.585 174.600 -0.008 0.000 1.076 917 S CA 2.396 60.591 58.200 -0.008 0.000 1.066 917 S CB -0.715 62.481 63.200 -0.006 0.000 0.890 917 S HN 0.878 nan 8.310 nan 0.000 0.465 918 E N 0.786 120.980 120.200 -0.009 0.000 2.505 918 E HA 0.103 4.453 4.350 -0.000 0.000 0.197 918 E C 1.382 177.976 176.600 -0.010 0.000 1.111 918 E CA 0.630 57.025 56.400 -0.009 0.000 0.887 918 E CB -0.327 29.367 29.700 -0.009 0.000 0.913 918 E HN 0.771 nan 8.360 nan 0.000 0.517 919 I N -0.036 120.528 120.570 -0.011 0.000 4.244 919 I HA 0.091 4.261 4.170 -0.000 0.000 0.318 919 I C 0.762 176.874 176.117 -0.008 0.000 1.282 919 I CA -0.503 60.791 61.300 -0.011 0.000 1.276 919 I CB 0.443 38.434 38.000 -0.014 0.000 1.183 919 I HN 0.126 nan 8.210 nan 0.000 0.431 920 L N 2.205 123.424 121.223 -0.007 0.000 2.678 920 L HA -0.133 4.207 4.340 -0.000 0.000 0.285 920 L C 1.413 178.279 176.870 -0.006 0.000 1.233 920 L CA 1.529 56.366 54.840 -0.006 0.000 0.920 920 L CB 0.176 42.232 42.059 -0.005 0.000 1.176 920 L HN 0.559 nan 8.230 nan 0.000 0.495 921 G N 2.204 111.000 108.800 -0.007 0.000 2.417 921 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.233 921 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.233 921 G C 0.432 175.328 174.900 -0.008 0.000 1.103 921 G CA 0.166 45.261 45.100 -0.008 0.000 0.647 921 G HN 0.759 nan 8.290 nan 0.000 0.512 922 D N 1.608 122.004 120.400 -0.007 0.000 2.950 922 D HA 0.021 4.661 4.640 -0.000 0.000 0.265 922 D C 1.761 178.057 176.300 -0.006 0.000 1.405 922 D CA 0.462 54.458 54.000 -0.007 0.000 0.998 922 D CB -0.213 40.582 40.800 -0.007 0.000 1.154 922 D HN 0.394 nan 8.370 nan 0.000 0.586 923 L N 3.771 124.990 121.223 -0.006 0.000 2.275 923 L HA -0.130 4.209 4.340 -0.000 0.000 0.215 923 L C 2.433 179.301 176.870 -0.003 0.000 1.119 923 L CA 0.678 55.515 54.840 -0.005 0.000 0.790 923 L CB -0.008 42.047 42.059 -0.007 0.000 0.919 923 L HN 0.313 nan 8.230 nan 0.000 0.443 924 K N -0.185 120.213 120.400 -0.003 0.000 2.211 924 K HA -0.114 4.206 4.320 -0.000 0.000 0.203 924 K C 1.925 178.525 176.600 -0.000 0.000 1.050 924 K CA 0.953 57.239 56.287 -0.002 0.000 0.945 924 K CB 0.054 32.553 32.500 -0.003 0.000 0.732 924 K HN 0.365 nan 8.250 nan 0.000 0.451 925 L N 0.523 121.745 121.223 -0.002 0.000 2.209 925 L HA -0.063 4.277 4.340 -0.000 0.000 0.207 925 L C 2.234 179.106 176.870 0.004 0.000 1.094 925 L CA 0.528 55.368 54.840 -0.001 0.000 0.790 925 L CB -0.187 41.869 42.059 -0.006 0.000 0.932 925 L HN 0.111 nan 8.230 nan 0.000 0.447 926 Q N -0.053 119.749 119.800 0.003 0.000 2.500 926 Q HA -0.070 4.270 4.340 -0.000 0.000 0.213 926 Q C 2.025 178.032 176.000 0.011 0.000 0.974 926 Q CA 0.785 56.591 55.803 0.006 0.000 0.918 926 Q CB 0.114 28.851 28.738 -0.002 0.000 0.980 926 Q HN 0.396 nan 8.270 nan 0.000 0.505 927 V N -0.272 119.649 119.914 0.011 0.000 2.331 927 V HA -0.166 3.954 4.120 -0.000 0.000 0.242 927 V C 2.301 178.410 176.094 0.025 0.000 1.034 927 V CA 0.887 63.196 62.300 0.015 0.000 1.027 927 V CB -0.508 31.322 31.823 0.010 0.000 0.667 927 V HN 0.229 nan 8.190 nan 0.000 0.457 928 L N -0.353 120.882 121.223 0.021 0.000 1.994 928 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 928 L C 2.525 179.419 176.870 0.041 0.000 1.071 928 L CA 1.199 56.055 54.840 0.026 0.000 0.745 928 L CB -0.595 41.473 42.059 0.015 0.000 0.892 928 L HN 0.293 nan 8.230 nan 0.000 0.431 929 L N -0.144 121.102 121.223 0.038 0.000 2.189 929 L HA -0.264 4.076 4.340 -0.000 0.000 0.214 929 L C 2.078 179.005 176.870 0.096 0.000 1.097 929 L CA 1.853 56.727 54.840 0.057 0.000 0.764 929 L CB -1.041 41.041 42.059 0.038 0.000 0.900 929 L HN 0.361 nan 8.230 nan 0.000 0.436 930 D N -0.600 119.846 120.400 0.076 0.000 2.146 930 D HA -0.127 4.513 4.640 -0.000 0.000 0.209 930 D C 1.891 178.268 176.300 0.129 0.000 0.973 930 D CA 0.775 54.834 54.000 0.098 0.000 0.860 930 D CB 0.174 41.004 40.800 0.049 0.000 1.015 930 D HN 0.371 nan 8.370 nan 0.000 0.465 931 E N 1.003 121.254 120.200 0.084 0.000 2.169 931 E HA -0.269 4.080 4.350 -0.000 0.000 0.202 931 E C 1.931 178.587 176.600 0.093 0.000 1.016 931 E CA 1.249 57.695 56.400 0.076 0.000 0.817 931 E CB -0.092 29.638 29.700 0.049 0.000 0.736 931 E HN 0.431 nan 8.360 nan 0.000 0.462 932 E N 0.445 120.705 120.200 0.100 0.000 2.012 932 E HA -0.266 4.084 4.350 -0.000 0.000 0.197 932 E C 2.047 178.727 176.600 0.133 0.000 1.007 932 E CA 1.252 57.711 56.400 0.097 0.000 0.816 932 E CB -0.409 29.347 29.700 0.095 0.000 0.762 932 E HN 0.369 nan 8.360 nan 0.000 0.451 933 Y N 1.338 121.685 120.300 0.077 0.000 2.256 933 Y HA -0.193 4.357 4.550 -0.000 0.000 0.288 933 Y C 2.046 178.018 175.900 0.119 0.000 1.155 933 Y CA 1.907 60.078 58.100 0.118 0.000 1.203 933 Y CB 0.190 38.719 38.460 0.115 0.000 0.980 933 Y HN 0.032 nan 8.280 nan 0.000 0.530 934 K N -0.683 119.884 120.400 0.278 0.000 2.103 934 K HA -0.198 4.122 4.320 -0.000 0.000 0.204 934 K C 2.027 178.682 176.600 0.092 0.000 1.052 934 K CA 1.269 57.666 56.287 0.184 0.000 0.945 934 K CB -0.196 32.378 32.500 0.124 0.000 0.722 934 K HN 0.239 nan 8.250 nan 0.000 0.443 935 Q N 1.625 121.468 119.800 0.070 0.000 2.079 935 Q HA -0.037 4.303 4.340 -0.000 0.000 0.200 935 Q C 1.923 177.929 176.000 0.010 0.000 0.974 935 Q CA 1.318 57.142 55.803 0.035 0.000 0.840 935 Q CB -0.249 28.506 28.738 0.028 0.000 0.898 935 Q HN 0.271 nan 8.270 nan 0.000 0.430 936 L N -0.739 120.483 121.223 -0.003 0.000 2.083 936 L HA -0.143 4.197 4.340 -0.000 0.000 0.209 936 L C 2.233 179.106 176.870 0.004 0.000 1.083 936 L CA 0.881 55.707 54.840 -0.024 0.000 0.752 936 L CB -0.591 41.405 42.059 -0.106 0.000 0.899 936 L HN 0.091 nan 8.230 nan 0.000 0.433 937 V N 0.239 120.130 119.914 -0.037 0.000 2.427 937 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 937 V C 2.589 178.614 176.094 -0.116 0.000 1.051 937 V CA 1.854 64.053 62.300 -0.169 0.000 1.048 937 V CB -0.588 31.187 31.823 -0.081 0.000 0.666 937 V HN 0.469 nan 8.190 nan 0.000 0.456 938 K N 0.300 120.679 120.400 -0.035 0.000 2.063 938 K HA -0.261 4.059 4.320 -0.000 0.000 0.208 938 K C 1.750 178.368 176.600 0.030 0.000 1.048 938 K CA 2.183 58.468 56.287 -0.003 0.000 0.928 938 K CB -0.264 32.254 32.500 0.030 0.000 0.713 938 K HN 0.436 nan 8.250 nan 0.000 0.442 939 D N 0.291 120.695 120.400 0.007 0.000 2.087 939 D HA -0.186 4.453 4.640 -0.000 0.000 0.192 939 D C 1.921 178.200 176.300 -0.036 0.000 0.993 939 D CA 1.346 55.339 54.000 -0.012 0.000 0.828 939 D CB -0.255 40.492 40.800 -0.088 0.000 0.968 939 D HN 0.145 nan 8.370 nan 0.000 0.448 940 R N 0.757 121.189 120.500 -0.113 0.000 2.191 940 R HA -0.189 4.151 4.340 -0.000 0.000 0.248 940 R C 1.678 177.923 176.300 -0.091 0.000 1.127 940 R CA 1.780 57.781 56.100 -0.166 0.000 0.943 940 R CB -0.041 30.022 30.300 -0.395 0.000 0.891 940 R HN 0.056 nan 8.270 nan 0.000 0.439 941 K N -0.671 119.684 120.400 -0.075 0.000 2.432 941 K HA -0.073 4.247 4.320 -0.000 0.000 0.196 941 K C 1.898 178.503 176.600 0.007 0.000 1.038 941 K CA 0.826 57.087 56.287 -0.044 0.000 0.986 941 K CB -0.248 32.208 32.500 -0.072 0.000 0.782 941 K HN 0.316 nan 8.250 nan 0.000 0.485 942 F N 1.676 121.552 119.950 -0.124 0.000 2.074 942 F HA -0.111 4.416 4.527 -0.000 0.000 0.290 942 F C 2.002 177.705 175.800 -0.161 0.000 1.118 942 F CA 0.747 58.671 58.000 -0.126 0.000 1.199 942 F CB -0.055 38.863 39.000 -0.136 0.000 1.012 942 F HN -0.201 nan 8.300 nan 0.000 0.472 943 L N 0.451 121.753 121.223 0.131 0.000 2.021 943 L HA -0.280 4.059 4.340 -0.000 0.000 0.215 943 L C 2.387 179.207 176.870 -0.084 0.000 1.074 943 L CA 1.622 56.332 54.840 -0.216 0.000 0.760 943 L CB -1.079 40.735 42.059 -0.408 0.000 0.889 943 L HN 0.175 nan 8.230 nan 0.000 0.433 944 R N -0.187 120.317 120.500 0.006 0.000 2.341 944 R HA -0.158 4.182 4.340 -0.000 0.000 0.213 944 R C 1.929 178.293 176.300 0.108 0.000 1.082 944 R CA 0.792 56.955 56.100 0.105 0.000 1.017 944 R CB -0.104 30.269 30.300 0.123 0.000 0.860 944 R HN 0.509 nan 8.270 nan 0.000 0.473 945 E N -0.183 120.065 120.200 0.081 0.000 2.389 945 E HA -0.017 4.333 4.350 -0.000 0.000 0.199 945 E C 1.304 177.957 176.600 0.088 0.000 0.978 945 E CA 0.158 56.583 56.400 0.042 0.000 0.912 945 E CB 0.634 30.300 29.700 -0.057 0.000 0.907 945 E HN 0.061 nan 8.360 nan 0.000 0.494 946 V N 0.481 120.512 119.914 0.195 0.000 2.795 946 V HA 0.042 4.162 4.120 -0.000 0.000 0.243 946 V C 0.230 176.557 176.094 0.388 0.000 1.069 946 V CA 0.634 63.102 62.300 0.280 0.000 1.089 946 V CB 0.083 32.137 31.823 0.383 0.000 0.756 946 V HN 0.132 nan 8.190 nan 0.000 0.471 947 F N 0.709 120.600 119.950 -0.099 0.000 2.344 947 F HA 0.424 4.951 4.527 -0.000 0.000 0.344 947 F C 1.155 176.973 175.800 0.029 0.000 1.140 947 F CA -1.418 56.534 58.000 -0.080 0.000 1.256 947 F CB -0.005 38.905 39.000 -0.150 0.000 1.573 947 F HN -0.169 nan 8.300 nan 0.000 0.547 948 V N -0.460 119.561 119.914 0.179 0.000 2.568 948 V HA -0.261 3.859 4.120 -0.000 0.000 0.253 948 V C 2.115 178.349 176.094 0.234 0.000 1.072 948 V CA 1.689 64.086 62.300 0.162 0.000 1.084 948 V CB -0.290 31.573 31.823 0.067 0.000 0.676 948 V HN 0.476 nan 8.190 nan 0.000 0.469 949 D N 0.577 121.096 120.400 0.197 0.000 2.103 949 D HA -0.098 4.542 4.640 -0.000 0.000 0.190 949 D C 2.000 178.421 176.300 0.202 0.000 0.997 949 D CA 2.544 56.659 54.000 0.191 0.000 0.833 949 D CB -0.117 40.776 40.800 0.157 0.000 0.961 949 D HN 0.584 nan 8.370 nan 0.000 0.447 950 G N 0.128 108.962 108.800 0.056 0.000 2.428 950 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.199 950 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.199 950 G C 0.203 175.019 174.900 -0.141 0.000 1.005 950 G CA 0.373 45.165 45.100 -0.513 0.000 0.671 950 G HN 0.342 nan 8.290 nan 0.000 0.485 951 E N 1.375 121.633 120.200 0.096 0.000 3.197 951 E HA 0.326 4.676 4.350 -0.000 0.000 0.251 951 E C 1.187 178.107 176.600 0.534 0.000 0.912 951 E CA 1.160 57.703 56.400 0.239 0.000 0.960 951 E CB 0.421 30.282 29.700 0.268 0.000 0.897 951 E HN 1.021 nan 8.360 nan 0.000 0.550 952 A N 5.217 128.224 122.820 0.312 0.000 2.343 952 A HA 0.113 4.433 4.320 -0.000 0.000 0.223 952 A C 0.092 177.937 177.584 0.435 0.000 1.214 952 A CA -0.301 51.953 52.037 0.362 0.000 0.900 952 A CB 0.157 19.224 19.000 0.112 0.000 0.942 952 A HN 0.539 nan 8.150 nan 0.000 0.507 953 N N 0.279 119.089 118.700 0.183 0.000 2.426 953 N HA 0.395 5.134 4.740 -0.000 0.000 0.257 953 N C -1.559 173.804 175.510 -0.245 0.000 1.002 953 N CA 0.210 53.276 53.050 0.028 0.000 0.942 953 N CB 0.694 39.126 38.487 -0.091 0.000 1.112 953 N HN 0.423 nan 8.380 nan 0.000 0.499 954 W N 1.676 123.017 121.300 0.069 0.000 3.032 954 W HA 0.422 5.082 4.660 -0.000 0.000 0.341 954 W C -2.151 174.407 176.519 0.065 0.000 1.202 954 W CA -1.661 55.735 57.345 0.086 0.000 1.132 954 W CB 0.505 30.074 29.460 0.181 0.000 1.465 954 W HN 0.264 nan 8.180 nan 0.000 0.576 955 P HA 0.328 nan 4.420 nan 0.000 0.282 955 P C -0.974 176.457 177.300 0.218 0.000 1.274 955 P CA 0.439 63.670 63.100 0.218 0.000 0.770 955 P CB 0.982 32.830 31.700 0.247 0.000 0.867 956 L N 5.536 126.865 121.223 0.177 0.000 2.513 956 L HA 0.431 4.771 4.340 -0.000 0.000 0.261 956 L C -2.434 174.523 176.870 0.145 0.000 0.945 956 L CA -2.579 52.369 54.840 0.179 0.000 0.848 956 L CB 3.422 45.628 42.059 0.244 0.000 1.334 956 L HN 0.160 nan 8.230 nan 0.000 0.407 957 P HA 0.091 nan 4.420 nan 0.000 0.269 957 P C -0.516 176.809 177.300 0.042 0.000 1.215 957 P CA 0.159 63.226 63.100 -0.056 0.000 0.780 957 P CB 1.076 32.569 31.700 -0.345 0.000 0.898 958 V N -0.642 119.291 119.914 0.031 0.000 3.865 958 V HA -0.234 3.886 4.120 -0.000 0.000 0.463 958 V C 0.505 176.697 176.094 0.164 0.000 0.682 958 V CA 0.205 62.571 62.300 0.109 0.000 1.913 958 V CB -2.068 29.858 31.823 0.172 0.000 2.326 958 V HN 0.885 nan 8.190 nan 0.000 0.496 959 N N 4.324 123.074 118.700 0.084 0.000 2.452 959 N HA 0.320 5.060 4.740 -0.000 0.000 0.266 959 N C 0.757 176.287 175.510 0.033 0.000 1.175 959 N CA 0.069 53.151 53.050 0.052 0.000 0.945 959 N CB 0.856 39.345 38.487 0.004 0.000 1.063 959 N HN 0.643 nan 8.380 nan 0.000 0.472 960 I N 2.786 123.373 120.570 0.029 0.000 2.867 960 I HA -0.029 4.141 4.170 -0.000 0.000 0.265 960 I C 2.334 178.418 176.117 -0.054 0.000 1.162 960 I CA 0.063 61.352 61.300 -0.019 0.000 1.471 960 I CB -0.091 37.892 38.000 -0.028 0.000 1.123 960 I HN 0.595 nan 8.210 nan 0.000 0.440 961 R N 1.663 122.143 120.500 -0.032 0.000 2.094 961 R HA -0.193 4.147 4.340 -0.000 0.000 0.239 961 R C 2.315 178.581 176.300 -0.057 0.000 1.137 961 R CA 1.798 57.874 56.100 -0.040 0.000 0.943 961 R CB -0.137 30.159 30.300 -0.005 0.000 0.850 961 R HN 0.262 nan 8.270 nan 0.000 0.433 962 R N 0.040 120.518 120.500 -0.037 0.000 2.115 962 R HA -0.023 4.317 4.340 -0.000 0.000 0.226 962 R C 2.355 178.628 176.300 -0.044 0.000 1.100 962 R CA 1.071 57.148 56.100 -0.037 0.000 0.980 962 R CB -0.297 29.998 30.300 -0.009 0.000 0.875 962 R HN 0.353 nan 8.270 nan 0.000 0.445 963 I N 0.701 121.237 120.570 -0.058 0.000 2.756 963 I HA -0.216 3.954 4.170 -0.000 0.000 0.262 963 I C 1.636 177.716 176.117 -0.062 0.000 1.225 963 I CA 1.199 62.445 61.300 -0.090 0.000 1.472 963 I CB 0.214 38.136 38.000 -0.130 0.000 1.094 963 I HN 0.176 nan 8.210 nan 0.000 0.454 964 I N -0.711 119.800 120.570 -0.100 0.000 2.810 964 I HA -0.141 4.028 4.170 -0.000 0.000 0.262 964 I C 2.245 178.303 176.117 -0.098 0.000 1.131 964 I CA 0.241 61.454 61.300 -0.144 0.000 1.453 964 I CB -0.265 37.505 38.000 -0.384 0.000 1.161 964 I HN 0.149 nan 8.210 nan 0.000 0.444 965 Q N 0.999 120.728 119.800 -0.117 0.000 2.173 965 Q HA -0.241 4.099 4.340 -0.000 0.000 0.208 965 Q C 1.698 177.552 176.000 -0.243 0.000 0.989 965 Q CA 1.511 57.219 55.803 -0.158 0.000 0.872 965 Q CB -0.137 28.505 28.738 -0.161 0.000 0.909 965 Q HN 0.546 nan 8.270 nan 0.000 0.420 966 N N -0.125 118.514 118.700 -0.102 0.000 2.251 966 N HA -0.046 4.694 4.740 -0.000 0.000 0.181 966 N C 1.699 177.271 175.510 0.103 0.000 1.019 966 N CA 0.998 54.051 53.050 0.004 0.000 0.862 966 N CB -0.303 38.353 38.487 0.281 0.000 0.992 966 N HN 0.176 nan 8.380 nan 0.000 0.429 967 A N 2.174 125.174 122.820 0.300 0.000 1.958 967 A HA -0.233 4.087 4.320 -0.000 0.000 0.221 967 A C 2.026 179.603 177.584 -0.010 0.000 1.178 967 A CA 1.337 53.471 52.037 0.163 0.000 0.642 967 A CB -0.407 18.703 19.000 0.183 0.000 0.816 967 A HN 0.242 nan 8.150 nan 0.000 0.453 968 Q N -0.344 119.451 119.800 -0.009 0.000 1.062 968 Q HA -0.257 4.083 4.340 -0.000 0.000 0.761 968 Q C 2.228 178.241 176.000 0.021 0.000 0.915 968 Q CA 1.825 57.632 55.803 0.007 0.000 0.882 968 Q CB -1.101 27.651 28.738 0.022 0.000 0.924 968 Q HN 0.944 nan 8.270 nan 0.000 0.274 969 Q N -0.018 119.802 119.800 0.035 0.000 2.344 969 Q HA -0.174 4.166 4.340 -0.000 0.000 0.212 969 Q C 1.591 177.542 176.000 -0.081 0.000 0.991 969 Q CA 2.108 57.947 55.803 0.060 0.000 0.897 969 Q CB -0.742 28.089 28.738 0.155 0.000 0.915 969 Q HN 0.299 nan 8.270 nan 0.000 0.438 970 T N -0.320 114.166 114.554 -0.113 0.000 2.962 970 T HA -0.038 4.312 4.350 -0.000 0.000 0.270 970 T C 0.109 174.436 174.700 -0.622 0.000 1.088 970 T CA 0.981 62.883 62.100 -0.330 0.000 1.127 970 T CB -0.065 68.568 68.868 -0.393 0.000 0.883 970 T HN 0.362 nan 8.240 nan 0.000 0.493 971 F N -0.011 119.647 119.950 -0.487 0.000 2.735 971 F HA 0.330 4.857 4.527 -0.000 0.000 0.308 971 F C 0.659 176.273 175.800 -0.311 0.000 1.112 971 F CA -1.057 56.680 58.000 -0.437 0.000 1.235 971 F CB -0.153 38.675 39.000 -0.286 0.000 1.027 971 F HN 0.112 nan 8.300 nan 0.000 0.528 972 H N -1.060 118.029 119.070 0.032 0.000 3.235 972 H HA -0.243 4.313 4.556 -0.000 0.000 0.269 972 H C 0.944 176.253 175.328 -0.033 0.000 1.077 972 H CA 0.790 56.832 56.048 -0.010 0.000 1.194 972 H CB -2.001 27.745 29.762 -0.025 0.000 1.292 972 H HN 0.293 nan 8.280 nan 0.000 0.326 973 I N 3.451 124.058 120.570 0.061 0.000 3.513 973 I HA -0.207 3.963 4.170 -0.000 0.000 0.343 973 I C 0.947 176.962 176.117 -0.170 0.000 1.230 973 I CA 1.079 62.365 61.300 -0.023 0.000 1.530 973 I CB 0.047 38.029 38.000 -0.030 0.000 1.323 973 I HN 0.214 nan 8.210 nan 0.000 0.460 974 D N 7.561 127.896 120.400 -0.108 0.000 2.295 974 D HA 0.022 4.662 4.640 -0.000 0.000 0.248 974 D C 0.786 177.021 176.300 -0.109 0.000 1.154 974 D CA -0.409 53.504 54.000 -0.145 0.000 0.857 974 D CB 0.821 41.598 40.800 -0.038 0.000 1.117 974 D HN 0.438 nan 8.370 nan 0.000 0.468 975 H N 1.974 121.073 119.070 0.049 0.000 2.568 975 H HA -0.020 4.536 4.556 -0.000 0.000 0.275 975 H C 1.245 176.588 175.328 0.025 0.000 1.028 975 H CA 0.977 57.049 56.048 0.039 0.000 1.173 975 H CB -0.235 29.552 29.762 0.041 0.000 1.335 975 H HN 0.613 nan 8.280 nan 0.000 0.614 976 T N -2.100 112.512 114.554 0.096 0.000 3.082 976 T HA 0.073 4.423 4.350 -0.000 0.000 0.235 976 T C 1.056 175.781 174.700 0.041 0.000 0.991 976 T CA -0.347 61.790 62.100 0.062 0.000 1.220 976 T CB 0.683 69.576 68.868 0.043 0.000 0.909 976 T HN 0.038 nan 8.240 nan 0.000 0.424 977 K N 2.937 123.355 120.400 0.030 0.000 2.344 977 K HA 0.206 4.526 4.320 -0.000 0.000 0.260 977 K C -2.404 174.211 176.600 0.024 0.000 0.988 977 K CA -1.152 55.148 56.287 0.022 0.000 0.909 977 K CB -0.103 32.408 32.500 0.018 0.000 0.968 977 K HN 0.309 nan 8.250 nan 0.000 0.505 978 P HA 0.021 nan 4.420 nan 0.000 0.282 978 P C -0.348 176.958 177.300 0.009 0.000 1.249 978 P CA -0.329 62.777 63.100 0.011 0.000 0.806 978 P CB 1.685 33.387 31.700 0.004 0.000 0.984 979 S N 1.199 116.902 115.700 0.005 0.000 2.647 979 S HA 0.041 4.511 4.470 -0.000 0.000 0.251 979 S C 0.575 175.168 174.600 -0.012 0.000 1.320 979 S CA 0.628 58.828 58.200 -0.001 0.000 0.968 979 S CB -0.260 62.934 63.200 -0.010 0.000 1.005 979 S HN 0.724 nan 8.310 nan 0.000 0.576 980 D N -0.184 120.201 120.400 -0.025 0.000 2.783 980 D HA 0.175 4.814 4.640 -0.000 0.000 0.306 980 D C -0.428 175.839 176.300 -0.055 0.000 1.633 980 D CA -0.233 53.750 54.000 -0.029 0.000 0.796 980 D CB -1.117 39.675 40.800 -0.013 0.000 1.230 980 D HN 0.348 nan 8.370 nan 0.000 0.441 981 L N 0.449 121.620 121.223 -0.086 0.000 2.387 981 L HA 0.548 4.887 4.340 -0.000 0.000 0.266 981 L C 0.445 177.242 176.870 -0.122 0.000 1.059 981 L CA -0.377 54.377 54.840 -0.144 0.000 0.801 981 L CB 1.765 43.678 42.059 -0.243 0.000 1.223 981 L HN -0.135 nan 8.230 nan 0.000 0.456 982 T N 0.510 114.984 114.554 -0.134 0.000 2.895 982 T HA 0.376 4.726 4.350 -0.000 0.000 0.283 982 T C 1.438 176.072 174.700 -0.110 0.000 1.014 982 T CA -0.570 61.472 62.100 -0.096 0.000 1.037 982 T CB 1.582 70.407 68.868 -0.072 0.000 1.006 982 T HN 0.377 nan 8.240 nan 0.000 0.468 983 I N 0.879 121.403 120.570 -0.077 0.000 2.530 983 I HA -0.190 3.980 4.170 -0.000 0.000 0.257 983 I C 2.452 178.531 176.117 -0.063 0.000 1.179 983 I CA 1.323 62.583 61.300 -0.066 0.000 1.440 983 I CB -0.263 37.714 38.000 -0.039 0.000 1.087 983 I HN 0.627 nan 8.210 nan 0.000 0.440 984 K N 0.386 120.751 120.400 -0.060 0.000 2.076 984 K HA -0.108 4.212 4.320 -0.000 0.000 0.204 984 K C 1.607 178.169 176.600 -0.064 0.000 1.051 984 K CA 0.997 57.257 56.287 -0.046 0.000 0.949 984 K CB -0.059 32.422 32.500 -0.033 0.000 0.726 984 K HN 0.265 nan 8.250 nan 0.000 0.443 985 D N 1.407 121.743 120.400 -0.107 0.000 2.095 985 D HA -0.177 4.463 4.640 -0.000 0.000 0.192 985 D C 2.026 178.194 176.300 -0.218 0.000 0.990 985 D CA 1.187 55.095 54.000 -0.153 0.000 0.836 985 D CB -0.388 40.275 40.800 -0.227 0.000 0.979 985 D HN 0.085 nan 8.370 nan 0.000 0.447 986 I N 0.872 121.215 120.570 -0.377 0.000 2.064 986 I HA -0.322 3.848 4.170 -0.000 0.000 0.234 986 I C 2.669 178.772 176.117 -0.023 0.000 1.019 986 I CA 1.127 62.204 61.300 -0.371 0.000 1.301 986 I CB -0.768 37.068 38.000 -0.275 0.000 1.017 986 I HN -0.092 nan 8.210 nan 0.000 0.392 987 V N 1.124 121.025 119.914 -0.022 0.000 2.250 987 V HA -0.319 3.801 4.120 -0.000 0.000 0.250 987 V C 2.423 178.540 176.094 0.038 0.000 1.060 987 V CA 2.206 64.520 62.300 0.023 0.000 1.030 987 V CB -0.562 31.267 31.823 0.009 0.000 0.643 987 V HN 0.360 nan 8.190 nan 0.000 0.445 988 L N -0.066 121.170 121.223 0.022 0.000 2.093 988 L HA -0.051 4.289 4.340 -0.000 0.000 0.208 988 L C 2.621 179.524 176.870 0.055 0.000 1.085 988 L CA 1.613 56.471 54.840 0.029 0.000 0.755 988 L CB -1.106 40.961 42.059 0.013 0.000 0.904 988 L HN 0.481 nan 8.230 nan 0.000 0.435 989 G N -0.509 108.348 108.800 0.095 0.000 2.432 989 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.219 989 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.219 989 G C 1.572 176.559 174.900 0.145 0.000 1.135 989 G CA 0.798 45.994 45.100 0.160 0.000 0.767 989 G HN 0.192 nan 8.290 nan 0.000 0.550 990 V N 0.722 120.729 119.914 0.156 0.000 2.379 990 V HA -0.099 4.021 4.120 -0.000 0.000 0.245 990 V C 2.608 178.720 176.094 0.029 0.000 1.044 990 V CA 2.107 64.459 62.300 0.086 0.000 1.036 990 V CB -0.357 31.524 31.823 0.098 0.000 0.664 990 V HN 0.441 nan 8.190 nan 0.000 0.453 991 K N 0.268 120.688 120.400 0.032 0.000 2.160 991 K HA -0.235 4.084 4.320 -0.000 0.000 0.206 991 K C 1.642 178.241 176.600 -0.002 0.000 1.047 991 K CA 1.988 58.281 56.287 0.010 0.000 0.930 991 K CB -0.183 32.325 32.500 0.014 0.000 0.720 991 K HN 0.532 nan 8.250 nan 0.000 0.450 992 D N 0.160 120.565 120.400 0.007 0.000 2.183 992 D HA -0.112 4.527 4.640 -0.000 0.000 0.205 992 D C 1.853 178.136 176.300 -0.028 0.000 0.962 992 D CA 0.518 54.514 54.000 -0.006 0.000 0.849 992 D CB -0.175 40.631 40.800 0.010 0.000 0.978 992 D HN 0.142 nan 8.370 nan 0.000 0.488 993 L N 1.636 122.841 121.223 -0.029 0.000 2.051 993 L HA -0.264 4.076 4.340 -0.000 0.000 0.214 993 L C 2.166 178.981 176.870 -0.090 0.000 1.076 993 L CA 1.838 56.642 54.840 -0.061 0.000 0.758 993 L CB -0.600 41.419 42.059 -0.066 0.000 0.890 993 L HN -0.019 nan 8.230 nan 0.000 0.433 994 Q N -0.916 118.839 119.800 -0.075 0.000 2.050 994 Q HA -0.215 4.125 4.340 -0.000 0.000 0.202 994 Q C 1.869 177.807 176.000 -0.103 0.000 0.980 994 Q CA 1.527 57.274 55.803 -0.092 0.000 0.840 994 Q CB -0.233 28.469 28.738 -0.060 0.000 0.898 994 Q HN 0.450 nan 8.270 nan 0.000 0.424 995 E N 0.355 120.513 120.200 -0.069 0.000 2.501 995 E HA -0.098 4.252 4.350 -0.000 0.000 0.203 995 E C 0.638 177.193 176.600 -0.076 0.000 1.072 995 E CA 0.610 56.974 56.400 -0.060 0.000 0.885 995 E CB -0.124 29.554 29.700 -0.036 0.000 0.813 995 E HN 0.326 nan 8.360 nan 0.000 0.556 996 N N -0.645 117.988 118.700 -0.112 0.000 2.159 996 N HA 0.077 4.816 4.740 -0.000 0.000 0.217 996 N C 0.185 175.572 175.510 -0.205 0.000 1.223 996 N CA -0.039 52.939 53.050 -0.120 0.000 0.896 996 N CB 0.839 39.273 38.487 -0.088 0.000 1.064 996 N HN 0.142 nan 8.380 nan 0.000 0.518 997 L N 2.210 123.214 121.223 -0.365 0.000 2.511 997 L HA 0.221 4.561 4.340 -0.000 0.000 0.239 997 L C -0.254 176.358 176.870 -0.431 0.000 1.400 997 L CA -0.120 54.224 54.840 -0.827 0.000 1.226 997 L CB -0.922 40.334 42.059 -1.338 0.000 1.475 997 L HN -0.138 nan 8.230 nan 0.000 0.428 998 L N 0.487 121.642 121.223 -0.113 0.000 2.410 998 L HA 0.054 4.394 4.340 -0.000 0.000 0.273 998 L C 1.057 178.023 176.870 0.160 0.000 1.152 998 L CA 0.364 55.219 54.840 0.026 0.000 0.855 998 L CB 1.241 43.306 42.059 0.010 0.000 1.129 998 L HN 0.106 nan 8.230 nan 0.000 0.463 999 V N 3.188 123.180 119.914 0.129 0.000 2.996 999 V HA 0.223 4.343 4.120 -0.000 0.000 0.235 999 V C 0.307 176.442 176.094 0.069 0.000 1.205 999 V CA 0.196 62.566 62.300 0.117 0.000 1.225 999 V CB 0.402 32.300 31.823 0.126 0.000 0.995 999 V HN 0.443 nan 8.190 nan 0.000 0.484 1000 L N 0.210 121.469 121.223 0.060 0.000 2.313 1000 L HA 0.483 4.823 4.340 -0.000 0.000 0.283 1000 L C 1.054 177.945 176.870 0.035 0.000 1.013 1000 L CA -0.232 54.638 54.840 0.051 0.000 0.816 1000 L CB 2.112 44.203 42.059 0.052 0.000 1.236 1000 L HN 0.010 nan 8.230 nan 0.000 0.419 1001 R N 2.205 122.723 120.500 0.029 0.000 2.062 1001 R HA 0.101 4.441 4.340 -0.000 0.000 0.226 1001 R C 0.803 177.111 176.300 0.014 0.000 1.125 1001 R CA 0.700 56.809 56.100 0.015 0.000 0.966 1001 R CB -0.152 30.151 30.300 0.006 0.000 0.861 1001 R HN 0.885 nan 8.270 nan 0.000 0.433 1002 G N 1.321 110.133 108.800 0.020 0.000 2.862 1002 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.334 1002 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.334 1002 G C 0.099 175.005 174.900 0.010 0.000 0.154 1002 G CA 0.663 45.773 45.100 0.017 0.000 1.240 1002 G HN 0.252 nan 8.290 nan 0.000 0.465 1003 K N 1.112 121.517 120.400 0.009 0.000 2.444 1003 K HA 0.083 4.403 4.320 -0.000 0.000 0.193 1003 K C 1.151 177.753 176.600 0.004 0.000 1.024 1003 K CA 0.805 57.095 56.287 0.005 0.000 1.077 1003 K CB -0.026 32.477 32.500 0.005 0.000 0.833 1003 K HN 0.883 nan 8.250 nan 0.000 0.517 1004 N N -1.959 116.743 118.700 0.004 0.000 2.890 1004 N HA 0.120 4.860 4.740 -0.000 0.000 0.317 1004 N C 0.725 176.234 175.510 -0.001 0.000 1.355 1004 N CA -0.595 52.456 53.050 0.002 0.000 0.803 1004 N CB 0.737 39.225 38.487 0.003 0.000 1.465 1004 N HN -0.148 nan 8.380 nan 0.000 0.591 1005 E N 0.593 120.790 120.200 -0.004 0.000 1.997 1005 E HA -0.156 4.194 4.350 -0.000 0.000 0.201 1005 E C 1.438 178.031 176.600 -0.012 0.000 1.011 1005 E CA 2.127 58.523 56.400 -0.007 0.000 0.847 1005 E CB -0.771 28.924 29.700 -0.008 0.000 0.787 1005 E HN 0.636 nan 8.360 nan 0.000 0.472 1006 I N 0.558 121.117 120.570 -0.018 0.000 2.130 1006 I HA -0.397 3.773 4.170 -0.000 0.000 0.241 1006 I C 2.366 178.465 176.117 -0.028 0.000 1.023 1006 I CA 1.657 62.939 61.300 -0.031 0.000 1.293 1006 I CB -0.737 37.240 38.000 -0.038 0.000 1.001 1006 I HN 0.314 nan 8.210 nan 0.000 0.407 1007 I N 0.151 120.712 120.570 -0.015 0.000 2.099 1007 I HA -0.288 3.881 4.170 -0.000 0.000 0.239 1007 I C 2.701 178.818 176.117 0.000 0.000 1.066 1007 I CA 1.707 63.005 61.300 -0.004 0.000 1.324 1007 I CB -1.648 36.357 38.000 0.009 0.000 1.037 1007 I HN 0.408 nan 8.210 nan 0.000 0.401 1008 Q N 0.687 120.487 119.800 -0.000 0.000 2.045 1008 Q HA -0.238 4.102 4.340 -0.000 0.000 0.206 1008 Q C 2.136 178.136 176.000 -0.000 0.000 0.991 1008 Q CA 1.538 57.342 55.803 0.001 0.000 0.851 1008 Q CB -0.798 27.939 28.738 -0.002 0.000 0.911 1008 Q HN 0.520 nan 8.270 nan 0.000 0.418 1009 N N 0.391 119.087 118.700 -0.006 0.000 2.036 1009 N HA -0.173 4.567 4.740 -0.000 0.000 0.195 1009 N C 1.615 177.124 175.510 -0.002 0.000 1.037 1009 N CA 1.765 54.811 53.050 -0.006 0.000 0.855 1009 N CB -0.229 38.249 38.487 -0.014 0.000 1.033 1009 N HN 0.275 nan 8.380 nan 0.000 0.423 1010 A N 0.548 123.363 122.820 -0.009 0.000 2.076 1010 A HA -0.216 4.104 4.320 -0.000 0.000 0.220 1010 A C 2.126 179.723 177.584 0.022 0.000 1.160 1010 A CA 1.838 53.874 52.037 -0.001 0.000 0.653 1010 A CB -0.574 18.417 19.000 -0.015 0.000 0.801 1010 A HN 0.479 nan 8.150 nan 0.000 0.455 1011 Q N 0.369 120.182 119.800 0.020 0.000 2.046 1011 Q HA -0.150 4.190 4.340 -0.000 0.000 0.200 1011 Q C 2.094 178.111 176.000 0.029 0.000 0.975 1011 Q CA 2.105 57.925 55.803 0.029 0.000 0.836 1011 Q CB -0.386 28.363 28.738 0.019 0.000 0.896 1011 Q HN 0.667 nan 8.270 nan 0.000 0.428 1012 R N 0.467 120.979 120.500 0.019 0.000 2.083 1012 R HA -0.143 4.197 4.340 -0.000 0.000 0.237 1012 R C 1.954 178.273 176.300 0.032 0.000 1.137 1012 R CA 1.534 57.646 56.100 0.020 0.000 0.951 1012 R CB -0.513 29.798 30.300 0.018 0.000 0.851 1012 R HN 0.480 nan 8.270 nan 0.000 0.434 1013 D N 1.107 121.529 120.400 0.036 0.000 2.092 1013 D HA -0.155 4.485 4.640 -0.000 0.000 0.193 1013 D C 1.827 178.154 176.300 0.045 0.000 0.994 1013 D CA 1.553 55.581 54.000 0.046 0.000 0.828 1013 D CB -0.420 40.405 40.800 0.042 0.000 0.963 1013 D HN 0.257 nan 8.370 nan 0.000 0.450 1014 A N 0.580 123.429 122.820 0.049 0.000 2.186 1014 A HA -0.061 4.259 4.320 -0.000 0.000 0.219 1014 A C 2.180 179.808 177.584 0.073 0.000 1.159 1014 A CA 1.116 53.187 52.037 0.056 0.000 0.680 1014 A CB -0.211 18.827 19.000 0.064 0.000 0.787 1014 A HN 0.175 nan 8.150 nan 0.000 0.467 1015 V N -2.351 117.608 119.914 0.075 0.000 3.355 1015 V HA 0.024 4.144 4.120 -0.000 0.000 0.210 1015 V C 1.975 178.109 176.094 0.067 0.000 1.157 1015 V CA 1.203 63.572 62.300 0.115 0.000 1.336 1015 V CB -1.310 30.568 31.823 0.092 0.000 1.317 1015 V HN 0.465 nan 8.190 nan 0.000 0.503 1016 T N 1.298 115.860 114.554 0.013 0.000 12.652 1016 T HA -0.434 3.916 4.350 -0.000 0.000 0.418 1016 T C 1.413 176.013 174.700 -0.166 0.000 1.442 1016 T CA 2.470 64.517 62.100 -0.088 0.000 2.373 1016 T CB -1.517 67.283 68.868 -0.113 0.000 2.832 1016 T HN 0.365 nan 8.240 nan 0.000 0.758 1017 L N 0.968 122.069 121.223 -0.203 0.000 2.123 1017 L HA -0.092 4.248 4.340 -0.000 0.000 0.217 1017 L C 1.966 178.771 176.870 -0.109 0.000 1.081 1017 L CA 2.511 57.206 54.840 -0.240 0.000 0.772 1017 L CB -1.226 40.737 42.059 -0.160 0.000 0.890 1017 L HN 0.519 nan 8.230 nan 0.000 0.437 1018 F N -0.026 119.866 119.950 -0.097 0.000 2.022 1018 F HA -0.230 4.297 4.527 -0.000 0.000 0.293 1018 F C 2.691 178.449 175.800 -0.071 0.000 1.142 1018 F CA 1.891 59.873 58.000 -0.031 0.000 1.177 1018 F CB -1.067 37.989 39.000 0.093 0.000 0.982 1018 F HN 0.275 nan 8.300 nan 0.000 0.473 1019 C N 0.295 119.508 119.300 -0.145 0.000 2.385 1019 C HA -0.321 4.139 4.460 -0.000 0.000 0.275 1019 C C 3.039 177.852 174.990 -0.294 0.000 1.199 1019 C CA 0.685 59.554 59.018 -0.248 0.000 1.782 1019 C CB -2.289 25.388 27.740 -0.105 0.000 2.068 1019 C HN 0.720 nan 8.230 nan 0.000 0.471 1020 C N 0.598 119.735 119.300 -0.272 0.000 2.367 1020 C HA -0.190 4.270 4.460 -0.000 0.000 0.276 1020 C C 2.654 177.485 174.990 -0.265 0.000 1.195 1020 C CA 1.714 60.567 59.018 -0.275 0.000 1.756 1020 C CB -1.683 25.840 27.740 -0.362 0.000 2.046 1020 C HN 0.701 nan 8.230 nan 0.000 0.453 1021 L N 0.787 121.822 121.223 -0.314 0.000 2.013 1021 L HA -0.144 4.196 4.340 -0.000 0.000 0.212 1021 L C 2.296 178.971 176.870 -0.324 0.000 1.073 1021 L CA 1.914 56.581 54.840 -0.289 0.000 0.753 1021 L CB -1.094 40.780 42.059 -0.309 0.000 0.890 1021 L HN 0.326 nan 8.230 nan 0.000 0.432 1022 L N 0.180 121.092 121.223 -0.520 0.000 1.956 1022 L HA -0.263 4.077 4.340 -0.000 0.000 0.216 1022 L C 2.729 179.477 176.870 -0.203 0.000 1.073 1022 L CA 2.075 56.657 54.840 -0.430 0.000 0.762 1022 L CB -0.761 41.002 42.059 -0.493 0.000 0.889 1022 L HN 0.307 nan 8.230 nan 0.000 0.433 1023 R N -1.164 119.237 120.500 -0.165 0.000 2.241 1023 R HA -0.125 4.215 4.340 -0.000 0.000 0.224 1023 R C 2.490 178.786 176.300 -0.006 0.000 1.101 1023 R CA 1.057 57.115 56.100 -0.070 0.000 0.995 1023 R CB -0.368 29.889 30.300 -0.071 0.000 0.870 1023 R HN 0.549 nan 8.270 nan 0.000 0.463 1024 S N 0.260 115.943 115.700 -0.028 0.000 2.395 1024 S HA -0.036 4.434 4.470 -0.000 0.000 0.225 1024 S C 1.680 176.341 174.600 0.101 0.000 1.027 1024 S CA 0.678 58.928 58.200 0.082 0.000 0.965 1024 S CB 0.204 63.402 63.200 -0.003 0.000 0.812 1024 S HN 0.208 nan 8.310 nan 0.000 0.482 1025 R N 0.321 120.831 120.500 0.017 0.000 2.265 1025 R HA 0.345 4.685 4.340 -0.000 0.000 0.194 1025 R C 0.690 177.044 176.300 0.089 0.000 0.931 1025 R CA 0.181 56.312 56.100 0.052 0.000 1.032 1025 R CB -0.300 30.015 30.300 0.024 0.000 0.980 1025 R HN 0.404 nan 8.270 nan 0.000 0.497 1026 L N 1.456 122.703 121.223 0.040 0.000 3.094 1026 L HA 0.384 4.724 4.340 -0.000 0.000 0.254 1026 L C 0.169 177.087 176.870 0.080 0.000 1.298 1026 L CA -0.518 54.374 54.840 0.088 0.000 1.050 1026 L CB 0.569 42.654 42.059 0.044 0.000 1.420 1026 L HN -0.074 nan 8.230 nan 0.000 0.548 1027 A N -0.419 122.406 122.820 0.009 0.000 2.388 1027 A HA 0.370 4.690 4.320 -0.000 0.000 0.257 1027 A C 1.380 178.924 177.584 -0.066 0.000 1.095 1027 A CA -0.116 51.900 52.037 -0.034 0.000 0.791 1027 A CB 0.547 19.463 19.000 -0.140 0.000 1.029 1027 A HN 0.327 nan 8.150 nan 0.000 0.489 1028 T N 2.009 116.540 114.554 -0.038 0.000 2.516 1028 T HA -0.211 4.139 4.350 -0.000 0.000 0.261 1028 T C 2.171 176.803 174.700 -0.114 0.000 1.130 1028 T CA 1.747 63.816 62.100 -0.053 0.000 1.193 1028 T CB -0.301 68.548 68.868 -0.032 0.000 0.864 1028 T HN 0.648 nan 8.240 nan 0.000 0.410 1029 R N 0.657 121.068 120.500 -0.148 0.000 2.143 1029 R HA -0.144 4.196 4.340 -0.000 0.000 0.239 1029 R C 2.631 178.758 176.300 -0.288 0.000 1.126 1029 R CA 1.949 57.929 56.100 -0.200 0.000 0.927 1029 R CB -0.732 29.431 30.300 -0.228 0.000 0.860 1029 R HN 0.374 nan 8.270 nan 0.000 0.433 1030 R N -0.000 120.254 120.500 -0.409 0.000 2.115 1030 R HA -0.177 4.163 4.340 -0.000 0.000 0.239 1030 R C 2.358 178.282 176.300 -0.626 0.000 1.133 1030 R CA 2.301 58.064 56.100 -0.562 0.000 0.935 1030 R CB -0.505 29.461 30.300 -0.558 0.000 0.853 1030 R HN 0.097 nan 8.270 nan 0.000 0.433 1031 V N 0.864 120.608 119.914 -0.283 0.000 2.231 1031 V HA -0.306 3.814 4.120 -0.000 0.000 0.250 1031 V C 2.149 178.234 176.094 -0.015 0.000 1.058 1031 V CA 2.121 64.424 62.300 0.005 0.000 1.022 1031 V CB -0.432 31.494 31.823 0.171 0.000 0.640 1031 V HN 0.309 nan 8.190 nan 0.000 0.445 1032 L N -1.380 119.796 121.223 -0.079 0.000 2.307 1032 L HA 0.045 4.385 4.340 -0.000 0.000 0.211 1032 L C 2.262 179.086 176.870 -0.076 0.000 1.099 1032 L CA 1.282 56.095 54.840 -0.045 0.000 0.816 1032 L CB -0.580 41.448 42.059 -0.052 0.000 0.952 1032 L HN 0.281 nan 8.230 nan 0.000 0.455 1033 Q N 0.040 119.743 119.800 -0.161 0.000 2.141 1033 Q HA -0.082 4.258 4.340 -0.000 0.000 0.194 1033 Q C 2.019 177.898 176.000 -0.202 0.000 0.975 1033 Q CA 0.676 56.386 55.803 -0.155 0.000 0.834 1033 Q CB 0.162 28.797 28.738 -0.171 0.000 0.916 1033 Q HN 0.438 nan 8.270 nan 0.000 0.484 1034 E N -0.176 119.807 120.200 -0.361 0.000 2.097 1034 E HA -0.193 4.157 4.350 -0.000 0.000 0.196 1034 E C -0.265 176.190 176.600 -0.242 0.000 1.000 1034 E CA 1.314 57.470 56.400 -0.406 0.000 0.804 1034 E CB 0.011 29.315 29.700 -0.661 0.000 0.740 1034 E HN 0.413 nan 8.360 nan 0.000 0.454 1035 Y N -1.349 118.936 120.300 -0.024 0.000 2.544 1035 Y HA 0.404 4.954 4.550 -0.000 0.000 0.347 1035 Y C -0.785 175.175 175.900 0.099 0.000 1.089 1035 Y CA -1.362 56.768 58.100 0.050 0.000 1.230 1035 Y CB -0.009 38.481 38.460 0.050 0.000 1.101 1035 Y HN -0.292 nan 8.280 nan 0.000 0.641 1036 R N 2.572 123.236 120.500 0.272 0.000 4.662 1036 R HA -0.083 4.256 4.340 -0.000 0.000 0.189 1036 R C -0.127 176.275 176.300 0.169 0.000 0.345 1036 R CA 0.272 56.487 56.100 0.192 0.000 0.933 1036 R CB -0.448 29.967 30.300 0.192 0.000 0.923 1036 R HN 0.636 nan 8.270 nan 0.000 0.272 1037 L N 1.629 122.957 121.223 0.176 0.000 2.375 1037 L HA 0.217 4.557 4.340 -0.000 0.000 0.271 1037 L C 1.455 178.364 176.870 0.064 0.000 1.107 1037 L CA 0.258 55.181 54.840 0.138 0.000 0.806 1037 L CB 1.484 43.696 42.059 0.256 0.000 1.146 1037 L HN 0.587 nan 8.230 nan 0.000 0.447 1038 T N 0.004 114.564 114.554 0.009 0.000 2.888 1038 T HA 0.263 4.613 4.350 -0.000 0.000 0.283 1038 T C 0.937 175.644 174.700 0.011 0.000 1.013 1038 T CA -0.385 61.713 62.100 -0.004 0.000 0.938 1038 T CB 1.608 70.465 68.868 -0.019 0.000 1.298 1038 T HN 0.506 nan 8.240 nan 0.000 0.580 1039 K N -0.018 120.384 120.400 0.004 0.000 2.021 1039 K HA 0.018 4.338 4.320 -0.000 0.000 0.205 1039 K C 2.468 179.117 176.600 0.082 0.000 1.047 1039 K CA 1.716 58.017 56.287 0.023 0.000 0.943 1039 K CB -0.861 31.641 32.500 0.004 0.000 0.725 1039 K HN 0.728 nan 8.250 nan 0.000 0.439 1040 Q N 0.002 119.826 119.800 0.041 0.000 1.935 1040 Q HA -0.267 4.073 4.340 -0.000 0.000 0.212 1040 Q C 1.958 177.886 176.000 -0.121 0.000 1.008 1040 Q CA 2.639 58.469 55.803 0.045 0.000 0.868 1040 Q CB -0.622 28.193 28.738 0.128 0.000 0.946 1040 Q HN 0.425 nan 8.270 nan 0.000 0.418 1041 A N 0.248 122.753 122.820 -0.525 0.000 1.929 1041 A HA -0.286 4.034 4.320 -0.000 0.000 0.221 1041 A C 1.911 179.394 177.584 -0.169 0.000 1.211 1041 A CA 2.036 53.569 52.037 -0.839 0.000 0.657 1041 A CB -1.360 17.227 19.000 -0.688 0.000 0.827 1041 A HN 0.655 nan 8.150 nan 0.000 0.462 1042 F N 1.060 120.923 119.950 -0.146 0.000 2.046 1042 F HA -0.220 4.307 4.527 -0.000 0.000 0.297 1042 F C 2.032 177.835 175.800 0.007 0.000 1.123 1042 F CA 2.399 60.373 58.000 -0.043 0.000 1.199 1042 F CB -0.298 38.686 39.000 -0.027 0.000 0.972 1042 F HN 0.278 nan 8.300 nan 0.000 0.474 1043 D N -0.776 119.785 120.400 0.268 0.000 2.228 1043 D HA -0.254 4.385 4.640 -0.000 0.000 0.203 1043 D C 1.722 178.085 176.300 0.104 0.000 0.988 1043 D CA 1.351 55.455 54.000 0.173 0.000 0.864 1043 D CB -0.638 40.274 40.800 0.187 0.000 0.928 1043 D HN 0.493 nan 8.370 nan 0.000 0.469 1044 W N 1.600 122.848 121.300 -0.086 0.000 2.423 1044 W HA -0.186 4.474 4.660 -0.000 0.000 0.321 1044 W C 2.343 178.786 176.519 -0.127 0.000 1.180 1044 W CA 1.021 58.325 57.345 -0.068 0.000 1.322 1044 W CB -0.753 28.663 29.460 -0.074 0.000 1.174 1044 W HN -0.260 nan 8.180 nan 0.000 0.470 1045 V N 1.744 121.631 119.914 -0.046 0.000 2.311 1045 V HA -0.397 3.723 4.120 -0.000 0.000 0.256 1045 V C 2.359 178.243 176.094 -0.350 0.000 1.077 1045 V CA 2.131 64.265 62.300 -0.277 0.000 1.067 1045 V CB -1.415 30.260 31.823 -0.247 0.000 0.659 1045 V HN 0.316 nan 8.190 nan 0.000 0.451 1046 L N 0.669 121.677 121.223 -0.357 0.000 1.961 1046 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 1046 L C 2.859 179.606 176.870 -0.205 0.000 1.072 1046 L CA 2.200 56.861 54.840 -0.298 0.000 0.749 1046 L CB -0.886 41.012 42.059 -0.268 0.000 0.889 1046 L HN 0.591 nan 8.230 nan 0.000 0.432 1047 S N -0.208 115.389 115.700 -0.171 0.000 2.402 1047 S HA -0.230 4.240 4.470 -0.000 0.000 0.233 1047 S C 1.697 176.180 174.600 -0.195 0.000 1.030 1047 S CA 1.654 59.769 58.200 -0.142 0.000 1.003 1047 S CB -0.590 62.554 63.200 -0.093 0.000 0.813 1047 S HN 0.429 nan 8.310 nan 0.000 0.477 1048 N N 1.919 120.421 118.700 -0.330 0.000 2.092 1048 N HA 0.070 4.810 4.740 -0.000 0.000 0.189 1048 N C 1.916 177.316 175.510 -0.184 0.000 1.040 1048 N CA 1.718 54.562 53.050 -0.344 0.000 0.845 1048 N CB -0.510 37.612 38.487 -0.607 0.000 1.017 1048 N HN 0.482 nan 8.380 nan 0.000 0.426 1049 I N 1.476 121.952 120.570 -0.158 0.000 2.315 1049 I HA -0.290 3.880 4.170 -0.000 0.000 0.251 1049 I C 2.433 178.558 176.117 0.013 0.000 1.125 1049 I CA 1.029 62.316 61.300 -0.022 0.000 1.392 1049 I CB -0.363 37.638 38.000 0.001 0.000 1.065 1049 I HN 0.177 nan 8.210 nan 0.000 0.424 1050 E N 1.925 122.093 120.200 -0.053 0.000 2.002 1050 E HA -0.278 4.072 4.350 -0.000 0.000 0.213 1050 E C 2.153 178.760 176.600 0.012 0.000 1.024 1050 E CA 2.311 58.683 56.400 -0.046 0.000 0.876 1050 E CB -0.490 29.171 29.700 -0.066 0.000 0.799 1050 E HN 0.348 nan 8.360 nan 0.000 0.497 1051 A N 0.083 122.894 122.820 -0.015 0.000 1.877 1051 A HA -0.265 4.055 4.320 -0.000 0.000 0.216 1051 A C 2.330 179.918 177.584 0.006 0.000 1.186 1051 A CA 2.082 54.119 52.037 -0.001 0.000 0.620 1051 A CB -0.988 17.999 19.000 -0.022 0.000 0.822 1051 A HN 0.548 nan 8.150 nan 0.000 0.443 1052 Q N -1.896 117.897 119.800 -0.011 0.000 2.217 1052 Q HA -0.236 4.104 4.340 -0.000 0.000 0.209 1052 Q C 1.698 177.684 176.000 -0.025 0.000 0.988 1052 Q CA 1.999 57.796 55.803 -0.010 0.000 0.878 1052 Q CB -0.257 28.470 28.738 -0.018 0.000 0.909 1052 Q HN 0.764 nan 8.270 nan 0.000 0.424 1053 F N 0.043 119.897 119.950 -0.159 0.000 2.037 1053 F HA -0.136 4.391 4.527 -0.000 0.000 0.291 1053 F C 1.726 177.388 175.800 -0.230 0.000 1.137 1053 F CA 1.147 58.995 58.000 -0.252 0.000 1.178 1053 F CB -0.311 38.517 39.000 -0.286 0.000 0.995 1053 F HN -0.020 nan 8.300 nan 0.000 0.472 1054 L N 0.519 121.852 121.223 0.184 0.000 2.211 1054 L HA -0.305 4.035 4.340 -0.000 0.000 0.216 1054 L C 2.519 179.296 176.870 -0.156 0.000 1.092 1054 L CA 1.391 56.257 54.840 0.042 0.000 0.767 1054 L CB -0.595 41.498 42.059 0.057 0.000 0.894 1054 L HN 0.246 nan 8.230 nan 0.000 0.437 1055 R N -1.121 119.265 120.500 -0.189 0.000 2.075 1055 R HA -0.015 4.324 4.340 -0.000 0.000 0.226 1055 R C 2.122 178.052 176.300 -0.617 0.000 1.114 1055 R CA 1.165 57.118 56.100 -0.244 0.000 0.972 1055 R CB -0.302 29.938 30.300 -0.099 0.000 0.869 1055 R HN 0.212 nan 8.270 nan 0.000 0.437 1056 S N 1.051 116.311 115.700 -0.734 0.000 2.653 1056 S HA 0.013 4.483 4.470 -0.000 0.000 0.233 1056 S C 0.986 175.207 174.600 -0.633 0.000 0.970 1056 S CA 0.115 57.766 58.200 -0.916 0.000 0.947 1056 S CB -0.241 62.625 63.200 -0.556 0.000 0.771 1056 S HN 0.001 nan 8.310 nan 0.000 0.538 1057 V N 0.943 120.540 119.914 -0.529 0.000 3.697 1057 V HA 0.157 4.276 4.120 -0.000 0.000 0.285 1057 V C 0.686 176.659 176.094 -0.202 0.000 1.041 1057 V CA -0.435 61.653 62.300 -0.354 0.000 1.045 1057 V CB 0.583 32.240 31.823 -0.277 0.000 1.227 1057 V HN 0.059 nan 8.190 nan 0.000 0.448 1058 V N 0.494 120.362 119.914 -0.077 0.000 2.398 1058 V HA 0.290 4.410 4.120 -0.000 0.000 0.286 1058 V C -0.064 176.058 176.094 0.047 0.000 1.026 1058 V CA -0.594 61.760 62.300 0.089 0.000 0.868 1058 V CB 1.091 33.068 31.823 0.256 0.000 0.982 1058 V HN 0.747 nan 8.190 nan 0.000 0.443 1059 H N 5.577 124.709 119.070 0.103 0.000 2.944 1059 H HA 0.164 4.720 4.556 -0.000 0.000 0.278 1059 H C -2.289 173.114 175.328 0.126 0.000 1.083 1059 H CA -1.627 54.491 56.048 0.117 0.000 1.479 1059 H CB 0.957 30.784 29.762 0.108 0.000 1.486 1059 H HN 0.400 nan 8.280 nan 0.000 0.493 1060 P HA -0.003 nan 4.420 nan 0.000 0.259 1060 P C 0.874 178.210 177.300 0.060 0.000 1.211 1060 P CA 0.833 64.033 63.100 0.166 0.000 0.810 1060 P CB 0.506 32.413 31.700 0.345 0.000 0.815 1061 G N 2.392 111.200 108.800 0.014 0.000 3.465 1061 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.219 1061 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.219 1061 G C -0.061 174.829 174.900 -0.016 0.000 0.984 1061 G CA -0.453 44.634 45.100 -0.023 0.000 0.864 1061 G HN 0.369 nan 8.290 nan 0.000 0.485 1062 E N 1.503 121.713 120.200 0.017 0.000 2.608 1062 E HA 0.105 4.455 4.350 -0.000 0.000 0.259 1062 E C 0.634 177.190 176.600 -0.075 0.000 0.951 1062 E CA 0.371 56.760 56.400 -0.019 0.000 0.945 1062 E CB 0.414 30.104 29.700 -0.016 0.000 0.916 1062 E HN 0.189 nan 8.360 nan 0.000 0.477 1063 M N 3.863 123.417 119.600 -0.077 0.000 3.057 1063 M HA 0.010 4.490 4.480 -0.000 0.000 0.246 1063 M C 1.211 177.438 176.300 -0.121 0.000 1.289 1063 M CA -0.315 54.930 55.300 -0.091 0.000 1.161 1063 M CB -0.741 31.814 32.600 -0.075 0.000 1.302 1063 M HN 0.222 nan 8.290 nan 0.000 0.483 1064 V N 0.082 119.883 119.914 -0.188 0.000 2.352 1064 V HA -0.344 3.776 4.120 -0.000 0.000 0.263 1064 V C 2.359 178.366 176.094 -0.144 0.000 1.103 1064 V CA 2.442 64.602 62.300 -0.234 0.000 1.099 1064 V CB -1.882 29.611 31.823 -0.550 0.000 0.685 1064 V HN 0.668 nan 8.190 nan 0.000 0.455 1065 G N -0.152 108.564 108.800 -0.141 0.000 2.511 1065 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 1065 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 1065 G C 1.585 176.408 174.900 -0.128 0.000 1.218 1065 G CA 1.267 46.291 45.100 -0.126 0.000 0.788 1065 G HN 0.420 nan 8.290 nan 0.000 0.560 1066 V N 1.065 120.907 119.914 -0.120 0.000 2.453 1066 V HA -0.144 3.976 4.120 -0.000 0.000 0.252 1066 V C 2.573 178.597 176.094 -0.118 0.000 1.068 1066 V CA 1.342 63.572 62.300 -0.116 0.000 1.070 1066 V CB -0.559 31.207 31.823 -0.095 0.000 0.664 1066 V HN 0.296 nan 8.190 nan 0.000 0.461 1067 L N 0.884 122.038 121.223 -0.115 0.000 1.909 1067 L HA -0.027 4.313 4.340 -0.000 0.000 0.216 1067 L C 2.640 179.377 176.870 -0.222 0.000 1.097 1067 L CA 2.525 57.286 54.840 -0.131 0.000 0.777 1067 L CB -1.684 40.326 42.059 -0.080 0.000 0.887 1067 L HN 0.286 nan 8.230 nan 0.000 0.432 1068 A N 0.097 122.793 122.820 -0.207 0.000 2.001 1068 A HA -0.348 3.972 4.320 -0.000 0.000 0.224 1068 A C 2.391 179.839 177.584 -0.227 0.000 1.203 1068 A CA 3.060 54.943 52.037 -0.256 0.000 0.667 1068 A CB -1.265 17.802 19.000 0.113 0.000 0.823 1068 A HN 0.766 nan 8.150 nan 0.000 0.473 1069 A N -1.031 121.686 122.820 -0.171 0.000 1.834 1069 A HA -0.273 4.047 4.320 -0.000 0.000 0.216 1069 A C 2.085 179.568 177.584 -0.169 0.000 1.203 1069 A CA 1.925 53.862 52.037 -0.166 0.000 0.621 1069 A CB -0.919 17.979 19.000 -0.170 0.000 0.841 1069 A HN 0.679 nan 8.150 nan 0.000 0.446 1070 Q N -0.237 119.470 119.800 -0.155 0.000 2.096 1070 Q HA -0.197 4.143 4.340 -0.000 0.000 0.208 1070 Q C 2.401 178.317 176.000 -0.141 0.000 0.993 1070 Q CA 1.949 57.676 55.803 -0.127 0.000 0.862 1070 Q CB -0.458 28.235 28.738 -0.075 0.000 0.915 1070 Q HN 0.646 nan 8.270 nan 0.000 0.416 1071 S N 0.567 116.149 115.700 -0.197 0.000 2.413 1071 S HA -0.182 4.288 4.470 -0.000 0.000 0.237 1071 S C 1.865 176.372 174.600 -0.155 0.000 1.044 1071 S CA 1.243 59.314 58.200 -0.215 0.000 1.024 1071 S CB -0.219 62.644 63.200 -0.562 0.000 0.829 1071 S HN 0.309 nan 8.310 nan 0.000 0.475 1072 I N 0.253 120.727 120.570 -0.159 0.000 2.512 1072 I HA 0.055 4.225 4.170 -0.000 0.000 0.247 1072 I C 2.556 178.595 176.117 -0.130 0.000 1.094 1072 I CA 0.848 62.068 61.300 -0.133 0.000 1.427 1072 I CB -0.768 37.156 38.000 -0.127 0.000 1.149 1072 I HN 0.344 nan 8.210 nan 0.000 0.438 1073 G N 0.442 109.161 108.800 -0.135 0.000 2.776 1073 G HA2 -0.163 3.796 3.960 -0.000 0.000 0.209 1073 G HA3 -0.163 3.796 3.960 -0.000 0.000 0.209 1073 G C 1.430 176.251 174.900 -0.132 0.000 1.145 1073 G CA 0.209 45.233 45.100 -0.127 0.000 0.791 1073 G HN 0.231 nan 8.290 nan 0.000 0.530 1074 E N 1.286 121.394 120.200 -0.154 0.000 2.038 1074 E HA -0.004 4.346 4.350 -0.000 0.000 0.190 1074 E C -0.445 176.050 176.600 -0.174 0.000 0.967 1074 E CA 0.410 56.682 56.400 -0.213 0.000 0.816 1074 E CB -0.490 29.028 29.700 -0.303 0.000 0.784 1074 E HN 0.303 nan 8.360 nan 0.000 0.456 1075 P HA 0.015 nan 4.420 nan 0.000 0.251 1075 P C 0.405 177.650 177.300 -0.092 0.000 1.251 1075 P CA 0.638 63.678 63.100 -0.100 0.000 0.763 1075 P CB 0.108 31.759 31.700 -0.082 0.000 1.067 1076 A N 0.460 123.221 122.820 -0.099 0.000 1.878 1076 A HA -0.036 4.284 4.320 -0.000 0.000 0.213 1076 A C 2.135 179.680 177.584 -0.066 0.000 1.192 1076 A CA 1.621 53.608 52.037 -0.082 0.000 0.619 1076 A CB -1.412 17.536 19.000 -0.086 0.000 0.837 1076 A HN 0.210 nan 8.150 nan 0.000 0.446 1077 T N 0.152 114.664 114.554 -0.070 0.000 2.985 1077 T HA -0.060 4.289 4.350 -0.000 0.000 0.266 1077 T C 1.254 175.925 174.700 -0.050 0.000 1.076 1077 T CA 0.971 63.039 62.100 -0.054 0.000 1.135 1077 T CB -0.138 68.696 68.868 -0.057 0.000 0.890 1077 T HN 0.408 nan 8.240 nan 0.000 0.480 1078 Q N 0.657 120.422 119.800 -0.059 0.000 2.387 1078 Q HA 0.257 4.597 4.340 -0.000 0.000 0.211 1078 Q C 0.151 176.129 176.000 -0.037 0.000 0.952 1078 Q CA 0.210 55.985 55.803 -0.046 0.000 0.957 1078 Q CB -0.552 28.155 28.738 -0.051 0.000 1.002 1078 Q HN 0.565 nan 8.270 nan 0.000 0.502 1079 M N 1.242 120.819 119.600 -0.038 0.000 2.495 1079 M HA 0.145 4.625 4.480 -0.000 0.000 0.346 1079 M C -0.396 175.889 176.300 -0.024 0.000 1.251 1079 M CA -0.064 55.217 55.300 -0.033 0.000 1.249 1079 M CB 0.731 33.307 32.600 -0.039 0.000 1.229 1079 M HN -0.222 nan 8.290 nan 0.000 0.450 1080 T N 4.742 119.285 114.554 -0.019 0.000 3.185 1080 T HA 0.392 4.742 4.350 -0.000 0.000 0.287 1080 T C 0.382 175.075 174.700 -0.012 0.000 1.051 1080 T CA 0.073 62.164 62.100 -0.014 0.000 1.051 1080 T CB -0.271 68.591 68.868 -0.010 0.000 1.034 1080 T HN 0.465 nan 8.240 nan 0.000 0.685 1094 V N -1.274 118.652 119.914 0.021 0.000 2.823 1094 V HA 0.501 4.621 4.120 -0.000 0.000 0.296 1094 V C -0.060 176.046 176.094 0.021 0.000 1.250 1094 V CA -0.984 61.331 62.300 0.024 0.000 0.939 1094 V CB 1.695 33.538 31.823 0.034 0.000 1.062 1094 V HN 0.517 nan 8.190 nan 0.000 0.433 1095 T N 4.263 118.829 114.554 0.020 0.000 2.656 1095 T HA 0.329 4.679 4.350 -0.000 0.000 0.263 1095 T C 0.571 175.280 174.700 0.016 0.000 1.017 1095 T CA 1.317 63.428 62.100 0.018 0.000 1.216 1095 T CB -0.426 68.457 68.868 0.024 0.000 0.989 1095 T HN 1.531 nan 8.240 nan 0.000 0.507 1096 S N 2.161 117.867 115.700 0.009 0.000 2.595 1096 S HA 0.887 5.357 4.470 -0.000 0.000 0.281 1096 S C 0.506 175.102 174.600 -0.006 0.000 1.117 1096 S CA -0.281 57.921 58.200 0.003 0.000 0.873 1096 S CB 2.113 65.317 63.200 0.007 0.000 1.108 1096 S HN 1.363 nan 8.310 nan 0.000 0.477 1097 G N 0.959 109.749 108.800 -0.017 0.000 2.547 1097 G HA2 -0.278 3.681 3.960 -0.000 0.000 0.271 1097 G HA3 -0.278 3.681 3.960 -0.000 0.000 0.271 1097 G C 0.736 175.620 174.900 -0.027 0.000 1.209 1097 G CA 0.307 45.391 45.100 -0.027 0.000 0.959 1097 G HN 1.610 nan 8.290 nan 0.000 0.563 1098 V N 3.380 123.279 119.914 -0.024 0.000 2.233 1098 V HA -0.216 3.904 4.120 -0.000 0.000 0.252 1098 V C 1.016 177.106 176.094 -0.008 0.000 1.063 1098 V CA 3.666 65.954 62.300 -0.020 0.000 1.032 1098 V CB -1.828 29.986 31.823 -0.015 0.000 0.645 1098 V HN 0.798 nan 8.190 nan 0.000 0.446 1099 P HA -0.207 nan 4.420 nan 0.000 0.216 1099 P C 1.608 178.917 177.300 0.014 0.000 1.153 1099 P CA 1.837 64.944 63.100 0.012 0.000 0.848 1099 P CB -0.142 31.566 31.700 0.012 0.000 0.787 1100 R N 0.467 120.970 120.500 0.006 0.000 2.105 1100 R HA -0.119 4.221 4.340 -0.000 0.000 0.239 1100 R C 2.286 178.580 176.300 -0.009 0.000 1.135 1100 R CA 1.127 57.231 56.100 0.006 0.000 0.967 1100 R CB -1.927 28.372 30.300 -0.002 0.000 0.861 1100 R HN 0.129 nan 8.270 nan 0.000 0.442 1101 L N 0.759 121.967 121.223 -0.025 0.000 2.083 1101 L HA -0.068 4.271 4.340 -0.000 0.000 0.209 1101 L C 2.085 178.941 176.870 -0.023 0.000 1.083 1101 L CA 1.998 56.812 54.840 -0.045 0.000 0.752 1101 L CB -0.611 41.415 42.059 -0.055 0.000 0.899 1101 L HN 0.266 nan 8.230 nan 0.000 0.433 1102 K N -0.481 119.920 120.400 0.003 0.000 2.025 1102 K HA -0.229 4.091 4.320 -0.000 0.000 0.207 1102 K C 2.142 178.774 176.600 0.054 0.000 1.049 1102 K CA 1.476 57.780 56.287 0.028 0.000 0.933 1102 K CB -0.164 32.365 32.500 0.047 0.000 0.714 1102 K HN 0.472 nan 8.250 nan 0.000 0.438 1103 E N 0.590 120.824 120.200 0.056 0.000 2.147 1103 E HA -0.237 4.113 4.350 -0.000 0.000 0.199 1103 E C 1.749 178.432 176.600 0.138 0.000 1.005 1103 E CA 1.524 57.978 56.400 0.091 0.000 0.810 1103 E CB -0.031 29.716 29.700 0.080 0.000 0.736 1103 E HN 0.328 nan 8.360 nan 0.000 0.460 1104 I N 0.206 120.818 120.570 0.070 0.000 2.130 1104 I HA -0.279 3.891 4.170 -0.000 0.000 0.232 1104 I C 2.336 178.518 176.117 0.108 0.000 1.064 1104 I CA 0.827 62.148 61.300 0.035 0.000 1.338 1104 I CB -0.435 37.477 38.000 -0.147 0.000 1.084 1104 I HN 0.139 nan 8.210 nan 0.000 0.404 1105 L N 0.980 122.227 121.223 0.040 0.000 2.283 1105 L HA -0.266 4.074 4.340 -0.000 0.000 0.217 1105 L C 1.732 178.670 176.870 0.113 0.000 1.104 1105 L CA 1.242 56.114 54.840 0.054 0.000 0.772 1105 L CB -0.859 41.202 42.059 0.002 0.000 0.899 1105 L HN 0.409 nan 8.230 nan 0.000 0.439 1106 N N -0.587 118.192 118.700 0.132 0.000 2.336 1106 N HA 0.060 4.800 4.740 -0.000 0.000 0.189 1106 N C 0.293 175.894 175.510 0.153 0.000 1.113 1106 N CA 0.174 53.310 53.050 0.144 0.000 0.858 1106 N CB 0.937 39.502 38.487 0.129 0.000 0.970 1106 N HN 0.011 nan 8.380 nan 0.000 0.471 1107 V N 1.386 121.425 119.914 0.208 0.000 6.125 1107 V HA -0.267 3.853 4.120 -0.000 0.000 0.281 1107 V C 0.540 176.681 176.094 0.077 0.000 0.591 1107 V CA 0.252 62.650 62.300 0.163 0.000 0.617 1107 V CB -2.425 29.456 31.823 0.096 0.000 0.336 1107 V HN 0.422 nan 8.190 nan 0.000 0.650 1108 A N 2.548 125.454 122.820 0.144 0.000 2.532 1108 A HA 0.065 4.385 4.320 -0.000 0.000 0.269 1108 A C 1.363 178.938 177.584 -0.015 0.000 1.079 1108 A CA 0.978 53.066 52.037 0.085 0.000 0.800 1108 A CB -0.063 19.031 19.000 0.156 0.000 1.000 1108 A HN 0.753 nan 8.150 nan 0.000 0.522 1109 K N 1.439 121.829 120.400 -0.015 0.000 2.439 1109 K HA -0.072 4.248 4.320 -0.000 0.000 0.197 1109 K C 0.064 176.641 176.600 -0.037 0.000 1.041 1109 K CA 1.082 57.343 56.287 -0.044 0.000 0.970 1109 K CB -0.009 32.472 32.500 -0.033 0.000 0.773 1109 K HN 0.951 nan 8.250 nan 0.000 0.479 1110 N N 0.527 119.219 118.700 -0.013 0.000 2.805 1110 N HA 0.005 4.745 4.740 -0.000 0.000 0.216 1110 N C -0.390 175.127 175.510 0.013 0.000 1.447 1110 N CA -0.305 52.740 53.050 -0.008 0.000 0.785 1110 N CB -0.358 38.123 38.487 -0.010 0.000 1.458 1110 N HN -0.039 nan 8.380 nan 0.000 0.547 1111 M N -0.378 119.239 119.600 0.029 0.000 2.286 1111 M HA 0.082 4.562 4.480 -0.000 0.000 0.365 1111 M C 0.902 177.222 176.300 0.032 0.000 1.443 1111 M CA 0.381 55.713 55.300 0.053 0.000 0.951 1111 M CB 0.674 33.330 32.600 0.093 0.000 1.961 1111 M HN 0.131 nan 8.290 nan 0.000 0.468 1112 K N 1.910 122.329 120.400 0.031 0.000 2.015 1112 K HA -0.104 4.216 4.320 -0.000 0.000 0.220 1112 K C 0.562 177.172 176.600 0.017 0.000 1.055 1112 K CA 1.901 58.200 56.287 0.020 0.000 0.951 1112 K CB -0.525 31.987 32.500 0.020 0.000 0.725 1112 K HN 0.750 nan 8.250 nan 0.000 0.449 1113 T N 1.964 116.532 114.554 0.022 0.000 2.856 1113 T HA 0.141 4.490 4.350 -0.000 0.000 0.292 1113 T C -1.903 172.808 174.700 0.019 0.000 0.980 1113 T CA -1.230 60.881 62.100 0.017 0.000 1.091 1113 T CB 1.858 70.738 68.868 0.020 0.000 0.936 1113 T HN 0.195 nan 8.240 nan 0.000 0.503 1114 P HA 0.196 nan 4.420 nan 0.000 0.302 1114 P C 0.599 177.889 177.300 -0.017 0.000 1.237 1114 P CA 0.062 63.162 63.100 0.000 0.000 0.956 1114 P CB 0.566 32.261 31.700 -0.008 0.000 1.466 1115 S N 0.200 115.893 115.700 -0.012 0.000 2.392 1115 S HA -0.168 4.302 4.470 -0.000 0.000 0.622 1115 S C -0.127 174.449 174.600 -0.039 0.000 3.454 1115 S CA 1.405 59.595 58.200 -0.017 0.000 3.792 1115 S CB -0.910 62.287 63.200 -0.005 0.000 0.465 1115 S HN 0.441 nan 8.310 nan 0.000 1.723 1116 L N 0.237 121.433 121.223 -0.045 0.000 5.210 1116 L HA 0.259 4.599 4.340 -0.000 0.000 0.235 1116 L C -0.492 176.358 176.870 -0.033 0.000 1.160 1116 L CA 0.676 55.483 54.840 -0.054 0.000 1.203 1116 L CB -0.578 41.460 42.059 -0.035 0.000 1.703 1116 L HN 0.618 nan 8.230 nan 0.000 0.567 1117 T N 3.809 118.350 114.554 -0.020 0.000 2.723 1117 T HA 0.615 4.964 4.350 -0.000 0.000 0.297 1117 T C 0.219 174.845 174.700 -0.124 0.000 0.925 1117 T CA 0.265 62.329 62.100 -0.059 0.000 1.030 1117 T CB 0.552 69.442 68.868 0.037 0.000 0.905 1117 T HN 0.715 nan 8.240 nan 0.000 0.502 1118 V N 2.511 122.322 119.914 -0.170 0.000 2.435 1118 V HA 0.651 4.771 4.120 -0.000 0.000 0.290 1118 V C -0.993 174.972 176.094 -0.214 0.000 1.030 1118 V CA -1.191 61.052 62.300 -0.095 0.000 0.881 1118 V CB 0.417 32.237 31.823 -0.005 0.000 0.983 1118 V HN 0.651 nan 8.190 nan 0.000 0.445 1119 Y N 3.869 124.228 120.300 0.099 0.000 2.352 1119 Y HA 0.675 5.225 4.550 -0.000 0.000 0.326 1119 Y C 0.691 176.637 175.900 0.077 0.000 1.166 1119 Y CA -0.862 57.294 58.100 0.092 0.000 1.182 1119 Y CB 1.153 39.674 38.460 0.103 0.000 1.216 1119 Y HN 0.644 nan 8.280 nan 0.000 0.474 1120 L N 0.077 121.431 121.223 0.219 0.000 2.237 1120 L HA 0.093 4.433 4.340 -0.000 0.000 0.163 1120 L C 0.433 177.385 176.870 0.137 0.000 0.816 1120 L CA 0.125 55.066 54.840 0.167 0.000 1.199 1120 L CB -0.337 41.828 42.059 0.176 0.000 1.458 1120 L HN 0.583 nan 8.230 nan 0.000 0.441 1121 E N -1.450 118.798 120.200 0.079 0.000 2.299 1121 E HA 0.293 4.643 4.350 -0.000 0.000 0.260 1121 E C -1.975 174.438 176.600 -0.312 0.000 0.944 1121 E CA -1.823 54.532 56.400 -0.075 0.000 0.815 1121 E CB 1.519 31.223 29.700 0.007 0.000 1.252 1121 E HN 0.175 nan 8.360 nan 0.000 0.418 1122 P HA -0.316 nan 4.420 nan 0.000 0.245 1122 P C 0.926 178.069 177.300 -0.263 0.000 0.778 1122 P CA 2.254 65.210 63.100 -0.240 0.000 1.113 1122 P CB -0.112 31.464 31.700 -0.207 0.000 0.760 1123 G N -1.317 107.287 108.800 -0.327 0.000 2.422 1123 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.218 1123 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.218 1123 G C 0.322 175.227 174.900 0.008 0.000 1.140 1123 G CA 0.519 45.556 45.100 -0.106 0.000 0.775 1123 G HN 0.499 nan 8.290 nan 0.000 0.545 1124 H N 1.141 120.242 119.070 0.052 0.000 4.417 1124 H HA 0.457 5.012 4.556 -0.000 0.000 0.193 1124 H C 1.168 176.552 175.328 0.093 0.000 1.400 1124 H CA -0.028 56.054 56.048 0.058 0.000 1.460 1124 H CB -0.793 28.995 29.762 0.043 0.000 1.732 1124 H HN 0.296 nan 8.280 nan 0.000 0.807 1125 A N 1.811 124.735 122.820 0.173 0.000 2.134 1125 A HA 0.362 4.681 4.320 -0.000 0.000 0.223 1125 A C 2.230 179.987 177.584 0.288 0.000 1.738 1125 A CA 0.504 52.657 52.037 0.194 0.000 0.722 1125 A CB -0.746 18.336 19.000 0.137 0.000 1.346 1125 A HN 0.517 nan 8.150 nan 0.000 0.557 1126 A N -0.117 122.853 122.820 0.251 0.000 2.259 1126 A HA -0.027 4.293 4.320 -0.000 0.000 0.212 1126 A C 0.867 178.593 177.584 0.237 0.000 1.178 1126 A CA 0.899 53.129 52.037 0.323 0.000 0.734 1126 A CB -0.698 18.428 19.000 0.210 0.000 0.774 1126 A HN 0.433 nan 8.150 nan 0.000 0.481 1127 D N 0.507 120.995 120.400 0.146 0.000 2.542 1127 D HA 0.006 4.646 4.640 -0.000 0.000 0.242 1127 D C 1.483 177.676 176.300 -0.179 0.000 1.207 1127 D CA 0.267 54.276 54.000 0.015 0.000 1.172 1127 D CB 0.194 41.023 40.800 0.049 0.000 1.126 1127 D HN 0.543 nan 8.370 nan 0.000 0.500 1128 Q N 2.602 122.206 119.800 -0.327 0.000 2.065 1128 Q HA -0.292 4.048 4.340 -0.000 0.000 0.213 1128 Q C 1.636 177.266 176.000 -0.617 0.000 1.012 1128 Q CA 2.463 57.788 55.803 -0.797 0.000 0.876 1128 Q CB -0.252 28.186 28.738 -0.501 0.000 0.954 1128 Q HN 0.608 nan 8.270 nan 0.000 0.413 1129 E N -1.136 118.862 120.200 -0.336 0.000 2.107 1129 E HA -0.257 4.093 4.350 -0.000 0.000 0.191 1129 E C 2.036 178.525 176.600 -0.185 0.000 0.982 1129 E CA 0.933 57.188 56.400 -0.242 0.000 0.809 1129 E CB -0.171 29.432 29.700 -0.163 0.000 0.756 1129 E HN 0.495 nan 8.360 nan 0.000 0.459 1130 Q N 0.919 120.632 119.800 -0.145 0.000 2.156 1130 Q HA -0.265 4.075 4.340 -0.000 0.000 0.211 1130 Q C 1.749 177.705 176.000 -0.072 0.000 0.995 1130 Q CA 2.301 58.055 55.803 -0.081 0.000 0.877 1130 Q CB -0.578 28.150 28.738 -0.017 0.000 0.920 1130 Q HN 0.381 nan 8.270 nan 0.000 0.416 1131 A N 0.436 123.186 122.820 -0.115 0.000 1.841 1131 A HA -0.278 4.042 4.320 -0.000 0.000 0.216 1131 A C 1.961 179.489 177.584 -0.094 0.000 1.199 1131 A CA 2.057 54.042 52.037 -0.087 0.000 0.621 1131 A CB -0.681 18.238 19.000 -0.135 0.000 0.835 1131 A HN 0.482 nan 8.150 nan 0.000 0.445 1132 K N -0.279 120.030 120.400 -0.150 0.000 2.032 1132 K HA -0.229 4.091 4.320 -0.000 0.000 0.218 1132 K C 1.927 178.474 176.600 -0.089 0.000 1.054 1132 K CA 1.912 58.120 56.287 -0.133 0.000 0.941 1132 K CB -0.775 31.630 32.500 -0.158 0.000 0.720 1132 K HN 0.501 nan 8.250 nan 0.000 0.449 1133 L N 0.837 122.010 121.223 -0.084 0.000 1.941 1133 L HA -0.271 4.069 4.340 -0.000 0.000 0.224 1133 L C 2.530 179.377 176.870 -0.037 0.000 1.081 1133 L CA 1.615 56.420 54.840 -0.060 0.000 0.784 1133 L CB -0.839 41.183 42.059 -0.061 0.000 0.894 1133 L HN 0.212 nan 8.230 nan 0.000 0.436 1134 I N -0.730 119.825 120.570 -0.026 0.000 2.181 1134 I HA -0.369 3.801 4.170 -0.000 0.000 0.247 1134 I C 2.935 179.051 176.117 -0.002 0.000 1.081 1134 I CA 1.457 62.755 61.300 -0.003 0.000 1.340 1134 I CB -0.611 37.398 38.000 0.016 0.000 1.036 1134 I HN 0.387 nan 8.210 nan 0.000 0.417 1135 R N 1.275 121.769 120.500 -0.011 0.000 2.070 1135 R HA -0.140 4.200 4.340 -0.000 0.000 0.233 1135 R C 2.096 178.399 176.300 0.005 0.000 1.137 1135 R CA 2.070 58.170 56.100 0.000 0.000 0.945 1135 R CB -0.450 29.845 30.300 -0.009 0.000 0.845 1135 R HN 0.258 nan 8.270 nan 0.000 0.430 1136 S N 0.204 115.895 115.700 -0.015 0.000 2.595 1136 S HA 0.011 4.481 4.470 -0.000 0.000 0.235 1136 S C 1.267 175.862 174.600 -0.009 0.000 0.974 1136 S CA 0.683 58.875 58.200 -0.013 0.000 0.942 1136 S CB 0.145 63.325 63.200 -0.033 0.000 0.766 1136 S HN 0.510 nan 8.310 nan 0.000 0.536 1137 A N 0.682 123.501 122.820 -0.002 0.000 2.252 1137 A HA 0.382 4.701 4.320 -0.000 0.000 0.213 1137 A C 1.631 179.225 177.584 0.017 0.000 1.188 1137 A CA -0.038 52.001 52.037 0.002 0.000 0.863 1137 A CB -0.121 18.880 19.000 0.002 0.000 0.893 1137 A HN 0.619 nan 8.150 nan 0.000 0.495 1138 I N -4.563 116.023 120.570 0.026 0.000 4.433 1138 I HA 0.291 4.460 4.170 -0.000 0.000 0.322 1138 I C 0.821 176.975 176.117 0.063 0.000 1.284 1138 I CA 0.069 61.395 61.300 0.042 0.000 1.269 1138 I CB 0.003 38.024 38.000 0.035 0.000 1.219 1138 I HN 0.090 nan 8.210 nan 0.000 0.436 1139 E N 3.377 123.612 120.200 0.058 0.000 1.896 1139 E HA -0.104 4.245 4.350 -0.000 0.000 0.276 1139 E C -0.199 176.454 176.600 0.088 0.000 1.171 1139 E CA -0.174 56.272 56.400 0.077 0.000 1.118 1139 E CB -0.468 29.284 29.700 0.087 0.000 1.077 1139 E HN 0.390 nan 8.360 nan 0.000 0.452 1140 H N 1.872 120.943 119.070 0.003 0.000 3.185 1140 H HA -0.173 4.383 4.556 -0.000 0.000 0.292 1140 H C -0.974 174.353 175.328 -0.003 0.000 0.923 1140 H CA 1.394 57.440 56.048 -0.003 0.000 1.364 1140 H CB 0.398 30.155 29.762 -0.007 0.000 1.243 1140 H HN 0.261 nan 8.280 nan 0.000 0.570 1141 T N 4.664 118.973 114.554 -0.408 0.000 3.172 1141 T HA 0.337 4.687 4.350 -0.000 0.000 0.320 1141 T C -0.666 173.839 174.700 -0.326 0.000 1.085 1141 T CA -0.406 61.543 62.100 -0.252 0.000 1.052 1141 T CB 1.068 69.862 68.868 -0.123 0.000 1.107 1141 T HN 0.748 nan 8.240 nan 0.000 0.458 1142 T N 0.578 115.005 114.554 -0.212 0.000 2.950 1142 T HA 0.565 4.915 4.350 -0.000 0.000 0.288 1142 T C 1.343 175.996 174.700 -0.078 0.000 1.035 1142 T CA -0.943 61.069 62.100 -0.147 0.000 1.028 1142 T CB 1.224 70.047 68.868 -0.075 0.000 1.109 1142 T HN 0.263 nan 8.240 nan 0.000 0.514 1143 L N 1.268 122.457 121.223 -0.057 0.000 2.034 1143 L HA -0.100 4.240 4.340 -0.000 0.000 0.217 1143 L C 2.497 179.354 176.870 -0.022 0.000 1.077 1143 L CA 2.161 56.980 54.840 -0.035 0.000 0.769 1143 L CB -1.008 41.044 42.059 -0.011 0.000 0.890 1143 L HN 0.945 nan 8.230 nan 0.000 0.435 1144 K N -0.879 119.513 120.400 -0.013 0.000 2.286 1144 K HA -0.169 4.151 4.320 -0.000 0.000 0.203 1144 K C 1.947 178.543 176.600 -0.007 0.000 1.045 1144 K CA 1.386 57.671 56.287 -0.003 0.000 0.935 1144 K CB -0.128 32.375 32.500 0.005 0.000 0.737 1144 K HN 0.719 nan 8.250 nan 0.000 0.460 1145 S N -0.497 115.193 115.700 -0.016 0.000 2.436 1145 S HA -0.067 4.403 4.470 -0.000 0.000 0.228 1145 S C 1.775 176.367 174.600 -0.013 0.000 1.014 1145 S CA 0.743 58.935 58.200 -0.013 0.000 0.950 1145 S CB 0.049 63.237 63.200 -0.020 0.000 0.784 1145 S HN 0.216 nan 8.310 nan 0.000 0.504 1146 V N -1.228 118.675 119.914 -0.019 0.000 3.644 1146 V HA 0.266 4.386 4.120 -0.000 0.000 0.267 1146 V C 0.470 176.557 176.094 -0.011 0.000 1.277 1146 V CA -0.038 62.252 62.300 -0.017 0.000 1.096 1146 V CB -1.017 30.789 31.823 -0.028 0.000 0.828 1146 V HN 0.286 nan 8.190 nan 0.000 0.446 1147 T N 2.266 116.815 114.554 -0.008 0.000 2.779 1147 T HA 0.501 4.851 4.350 -0.000 0.000 0.296 1147 T C 1.237 175.938 174.700 0.002 0.000 0.938 1147 T CA 0.124 62.223 62.100 -0.001 0.000 1.119 1147 T CB 1.419 70.288 68.868 0.002 0.000 0.891 1147 T HN 0.253 nan 8.240 nan 0.000 0.526 1148 I N 1.670 122.243 120.570 0.006 0.000 2.277 1148 I HA 0.219 4.388 4.170 -0.000 0.000 0.243 1148 I C 1.307 177.430 176.117 0.009 0.000 1.094 1148 I CA 0.457 61.762 61.300 0.008 0.000 1.393 1148 I CB -0.054 37.952 38.000 0.011 0.000 1.078 1148 I HN 0.627 nan 8.210 nan 0.000 0.417 1149 A N 0.042 122.870 122.820 0.014 0.000 2.605 1149 A HA 0.627 4.946 4.320 -0.000 0.000 0.294 1149 A C -0.742 176.855 177.584 0.021 0.000 1.062 1149 A CA -0.446 51.599 52.037 0.014 0.000 0.682 1149 A CB 1.159 20.168 19.000 0.016 0.000 1.278 1149 A HN 0.138 nan 8.150 nan 0.000 0.410 1150 S N 0.555 116.263 115.700 0.013 0.000 2.566 1150 S HA 0.910 5.380 4.470 -0.000 0.000 0.298 1150 S C -0.749 173.854 174.600 0.005 0.000 1.083 1150 S CA -0.576 57.636 58.200 0.019 0.000 0.978 1150 S CB 1.848 65.053 63.200 0.009 0.000 1.073 1150 S HN 0.733 nan 8.310 nan 0.000 0.491 1151 E N 0.548 120.762 120.200 0.023 0.000 2.390 1151 E HA 0.512 4.862 4.350 -0.000 0.000 0.277 1151 E C -1.208 175.378 176.600 -0.023 0.000 0.939 1151 E CA -0.834 55.535 56.400 -0.051 0.000 0.769 1151 E CB 2.258 31.907 29.700 -0.084 0.000 1.251 1151 E HN 0.793 nan 8.360 nan 0.000 0.450 1152 I N -0.609 119.878 120.570 -0.137 0.000 2.411 1152 I HA 0.500 4.670 4.170 -0.000 0.000 0.284 1152 I C -1.130 174.954 176.117 -0.055 0.000 1.012 1152 I CA -0.796 60.486 61.300 -0.030 0.000 1.119 1152 I CB 0.405 38.351 38.000 -0.089 0.000 1.261 1152 I HN 0.381 nan 8.210 nan 0.000 0.448 1153 Y N 4.225 124.616 120.300 0.153 0.000 2.545 1153 Y HA 0.447 4.997 4.550 -0.000 0.000 0.324 1153 Y C -0.616 175.552 175.900 0.446 0.000 1.220 1153 Y CA -0.637 57.602 58.100 0.232 0.000 1.290 1153 Y CB 1.030 39.575 38.460 0.140 0.000 1.355 1153 Y HN 0.533 nan 8.280 nan 0.000 0.516 1154 Y N 1.837 122.435 120.300 0.496 0.000 2.478 1154 Y HA 0.340 4.890 4.550 -0.000 0.000 0.329 1154 Y C -1.037 174.938 175.900 0.125 0.000 0.967 1154 Y CA -1.084 57.207 58.100 0.319 0.000 1.255 1154 Y CB 0.471 39.059 38.460 0.213 0.000 1.103 1154 Y HN 0.536 nan 8.280 nan 0.000 0.497 1155 D N 8.995 129.121 120.400 -0.456 0.000 2.346 1155 D HA 0.214 4.854 4.640 -0.000 0.000 0.255 1155 D C -2.277 173.720 176.300 -0.504 0.000 1.276 1155 D CA -1.521 52.243 54.000 -0.392 0.000 0.941 1155 D CB 2.127 42.844 40.800 -0.139 0.000 1.199 1155 D HN 0.323 nan 8.370 nan 0.000 0.537 1156 P HA -0.018 nan 4.420 nan 0.000 0.237 1156 P C 0.118 177.287 177.300 -0.219 0.000 1.178 1156 P CA 0.294 63.110 63.100 -0.473 0.000 0.766 1156 P CB 0.485 31.923 31.700 -0.437 0.000 0.876 1157 D N 1.883 122.180 120.400 -0.172 0.000 2.428 1157 D HA 0.136 4.776 4.640 -0.000 0.000 0.221 1157 D C -1.710 174.566 176.300 -0.040 0.000 1.123 1157 D CA -2.630 51.318 54.000 -0.086 0.000 0.869 1157 D CB 0.682 41.438 40.800 -0.073 0.000 1.032 1157 D HN 0.037 nan 8.370 nan 0.000 0.506 1158 P HA 0.044 nan 4.420 nan 0.000 0.269 1158 P C -0.190 177.209 177.300 0.166 0.000 1.601 1158 P CA 0.158 63.301 63.100 0.073 0.000 0.831 1158 P CB 0.113 31.831 31.700 0.030 0.000 1.688 1159 R N -0.764 119.780 120.500 0.073 0.000 2.478 1159 R HA 0.193 4.533 4.340 -0.000 0.000 0.377 1159 R C -0.179 176.046 176.300 -0.124 0.000 0.853 1159 R CA 0.067 56.169 56.100 0.003 0.000 1.113 1159 R CB 0.675 30.995 30.300 0.033 0.000 1.725 1159 R HN 0.309 nan 8.270 nan 0.000 0.524 1160 S N -0.714 114.936 115.700 -0.084 0.000 2.714 1160 S HA 0.215 4.685 4.470 -0.000 0.000 0.297 1160 S C -0.968 173.581 174.600 -0.085 0.000 0.993 1160 S CA -0.721 57.418 58.200 -0.101 0.000 0.844 1160 S CB 1.969 65.111 63.200 -0.097 0.000 1.043 1160 S HN -0.082 nan 8.310 nan 0.000 0.457 1161 T N 2.320 116.817 114.554 -0.095 0.000 2.888 1161 T HA 0.457 4.807 4.350 -0.000 0.000 0.284 1161 T C 1.339 175.978 174.700 -0.102 0.000 1.017 1161 T CA -0.592 61.444 62.100 -0.107 0.000 1.022 1161 T CB 1.568 70.352 68.868 -0.139 0.000 1.013 1161 T HN 0.837 nan 8.240 nan 0.000 0.465 1162 V N 2.343 122.203 119.914 -0.090 0.000 3.284 1162 V HA -0.046 4.074 4.120 -0.000 0.000 0.273 1162 V C 0.669 176.716 176.094 -0.078 0.000 1.178 1162 V CA 1.314 63.581 62.300 -0.055 0.000 1.177 1162 V CB -1.402 30.421 31.823 -0.000 0.000 0.793 1162 V HN 0.626 nan 8.190 nan 0.000 0.536 1163 I N 1.353 121.841 120.570 -0.136 0.000 2.378 1163 I HA 0.280 4.450 4.170 -0.000 0.000 0.291 1163 I C -1.041 175.014 176.117 -0.103 0.000 0.992 1163 I CA -2.085 59.131 61.300 -0.140 0.000 1.154 1163 I CB 1.978 39.826 38.000 -0.253 0.000 1.315 1163 I HN -0.078 nan 8.210 nan 0.000 0.448 1164 P HA -0.195 nan 4.420 nan 0.000 0.214 1164 P C 1.029 178.297 177.300 -0.054 0.000 1.162 1164 P CA 1.520 64.587 63.100 -0.055 0.000 0.874 1164 P CB 0.057 31.735 31.700 -0.037 0.000 0.784 1165 E N -0.158 120.013 120.200 -0.048 0.000 2.394 1165 E HA -0.225 4.125 4.350 -0.000 0.000 0.202 1165 E C 0.849 177.421 176.600 -0.046 0.000 1.029 1165 E CA 1.424 57.801 56.400 -0.039 0.000 0.855 1165 E CB -0.683 28.999 29.700 -0.030 0.000 0.770 1165 E HN 0.263 nan 8.360 nan 0.000 0.527 1166 D N 0.346 120.705 120.400 -0.067 0.000 2.527 1166 D HA -0.052 4.588 4.640 -0.000 0.000 0.249 1166 D C 1.227 177.486 176.300 -0.068 0.000 1.029 1166 D CA 0.594 54.551 54.000 -0.071 0.000 0.951 1166 D CB 0.079 40.818 40.800 -0.101 0.000 1.093 1166 D HN 0.016 nan 8.370 nan 0.000 0.464 1167 E N 0.768 120.919 120.200 -0.081 0.000 2.950 1167 E HA -0.402 3.948 4.350 -0.000 0.000 0.208 1167 E C 1.733 178.280 176.600 -0.089 0.000 0.906 1167 E CA 2.257 58.604 56.400 -0.088 0.000 1.607 1167 E CB -0.939 28.715 29.700 -0.075 0.000 1.582 1167 E HN 0.508 nan 8.360 nan 0.000 0.440 1168 E N 0.407 120.568 120.200 -0.065 0.000 2.136 1168 E HA -0.225 4.125 4.350 -0.000 0.000 0.202 1168 E C 2.307 178.881 176.600 -0.045 0.000 1.019 1168 E CA 1.740 58.109 56.400 -0.052 0.000 0.819 1168 E CB -0.506 29.177 29.700 -0.029 0.000 0.739 1168 E HN 0.475 nan 8.360 nan 0.000 0.458 1169 I N 0.799 121.346 120.570 -0.039 0.000 2.530 1169 I HA -0.261 3.909 4.170 -0.000 0.000 0.257 1169 I C 2.092 178.203 176.117 -0.011 0.000 1.179 1169 I CA 0.898 62.184 61.300 -0.024 0.000 1.440 1169 I CB -0.457 37.518 38.000 -0.042 0.000 1.087 1169 I HN 0.125 nan 8.210 nan 0.000 0.440 1170 I N 0.155 120.680 120.570 -0.074 0.000 2.315 1170 I HA -0.192 3.978 4.170 -0.000 0.000 0.233 1170 I C 2.551 178.507 176.117 -0.268 0.000 1.067 1170 I CA 0.886 62.098 61.300 -0.148 0.000 1.376 1170 I CB -0.808 37.003 38.000 -0.316 0.000 1.143 1170 I HN 0.009 nan 8.210 nan 0.000 0.421 1171 Q N 1.405 120.980 119.800 -0.374 0.000 2.062 1171 Q HA -0.202 4.138 4.340 -0.000 0.000 0.209 1171 Q C 2.245 178.221 176.000 -0.040 0.000 0.996 1171 Q CA 1.940 57.564 55.803 -0.298 0.000 0.859 1171 Q CB -0.618 28.003 28.738 -0.196 0.000 0.920 1171 Q HN 0.463 nan 8.270 nan 0.000 0.415 1172 L N -0.361 120.859 121.223 -0.005 0.000 2.349 1172 L HA -0.156 4.184 4.340 -0.000 0.000 0.220 1172 L C 1.864 178.789 176.870 0.092 0.000 1.130 1172 L CA 0.701 55.563 54.840 0.036 0.000 0.791 1172 L CB -0.444 41.628 42.059 0.022 0.000 0.918 1172 L HN 0.392 nan 8.230 nan 0.000 0.444 1173 H N -1.088 118.038 119.070 0.094 0.000 2.524 1173 H HA 0.121 4.677 4.556 -0.000 0.000 0.297 1173 H C 0.285 175.869 175.328 0.427 0.000 1.115 1173 H CA -0.017 56.126 56.048 0.158 0.000 1.027 1173 H CB 0.464 30.279 29.762 0.088 0.000 1.591 1173 H HN 0.170 nan 8.280 nan 0.000 0.543 1174 F N -0.390 119.549 119.950 -0.018 0.000 2.815 1174 F HA 0.072 4.599 4.527 -0.000 0.000 0.328 1174 F C 1.324 177.087 175.800 -0.061 0.000 0.982 1174 F CA -0.050 57.938 58.000 -0.020 0.000 1.154 1174 F CB 0.055 39.057 39.000 0.004 0.000 0.980 1174 F HN 0.062 nan 8.300 nan 0.000 0.603 1175 S N 1.760 117.536 115.700 0.127 0.000 3.517 1175 S HA 0.464 4.934 4.470 -0.000 0.000 0.284 1175 S C 0.409 174.993 174.600 -0.027 0.000 1.260 1175 S CA 0.167 58.390 58.200 0.038 0.000 0.975 1175 S CB 0.365 63.581 63.200 0.027 0.000 1.540 1175 S HN 0.488 nan 8.310 nan 0.000 0.506 1176 L N 1.158 122.351 121.223 -0.050 0.000 1.230 1176 L HA 0.098 4.438 4.340 -0.000 0.000 0.076 1176 L C -0.416 176.397 176.870 -0.094 0.000 1.446 1176 L CA -0.023 54.768 54.840 -0.081 0.000 1.170 1176 L CB -0.860 41.122 42.059 -0.128 0.000 2.400 1176 L HN 0.493 nan 8.230 nan 0.000 0.455 1177 L N 2.445 123.590 121.223 -0.131 0.000 2.527 1177 L HA -0.130 4.210 4.340 -0.000 0.000 0.308 1177 L C 0.975 177.781 176.870 -0.107 0.000 1.294 1177 L CA 0.696 55.450 54.840 -0.143 0.000 0.838 1177 L CB -0.217 41.709 42.059 -0.221 0.000 1.077 1177 L HN 0.336 nan 8.230 nan 0.000 0.552 1178 D N 0.321 120.658 120.400 -0.104 0.000 1.773 1178 D HA -0.042 4.598 4.640 -0.000 0.000 0.233 1178 D C 0.000 176.258 176.300 -0.070 0.000 1.197 1178 D CA 0.849 54.801 54.000 -0.080 0.000 0.941 1178 D CB 0.326 41.077 40.800 -0.082 0.000 1.644 1178 D HN 0.523 nan 8.370 nan 0.000 0.547 1188 Q N 1.314 121.091 119.800 -0.037 0.000 3.042 1188 Q HA 0.653 4.992 4.340 -0.000 0.000 0.201 1188 Q C -0.445 175.573 176.000 0.030 0.000 1.156 1188 Q CA -0.110 55.695 55.803 0.003 0.000 0.440 1188 Q CB 0.830 29.574 28.738 0.009 0.000 5.406 1188 Q HN 0.165 nan 8.270 nan 0.000 0.316 1189 S N -0.139 115.593 115.700 0.053 0.000 2.536 1189 S HA 0.316 4.785 4.470 -0.000 0.000 0.271 1189 S C -2.339 172.269 174.600 0.014 0.000 1.134 1189 S CA -1.628 56.606 58.200 0.056 0.000 0.897 1189 S CB 1.431 64.717 63.200 0.143 0.000 1.094 1189 S HN 0.319 nan 8.310 nan 0.000 0.473 1190 P HA -0.020 nan 4.420 nan 0.000 0.221 1190 P C 0.112 177.305 177.300 -0.179 0.000 1.150 1190 P CA 0.501 63.430 63.100 -0.286 0.000 0.800 1190 P CB -0.142 31.247 31.700 -0.519 0.000 0.787 1191 W N 1.455 122.784 121.300 0.048 0.000 2.692 1191 W HA 0.155 4.815 4.660 -0.000 0.000 0.339 1191 W C 0.620 177.172 176.519 0.056 0.000 1.415 1191 W CA -1.157 56.242 57.345 0.090 0.000 1.389 1191 W CB -0.098 29.428 29.460 0.110 0.000 1.492 1191 W HN -0.046 nan 8.180 nan 0.000 0.545 1192 L N 6.831 128.294 121.223 0.400 0.000 2.275 1192 L HA 0.501 4.841 4.340 -0.000 0.000 0.288 1192 L C -0.961 176.037 176.870 0.212 0.000 1.046 1192 L CA -0.756 54.225 54.840 0.236 0.000 0.805 1192 L CB 0.639 42.811 42.059 0.188 0.000 1.193 1192 L HN 0.299 nan 8.230 nan 0.000 0.426 1193 L N 5.981 127.273 121.223 0.116 0.000 2.280 1193 L HA 0.573 4.913 4.340 -0.000 0.000 0.287 1193 L C -0.662 176.250 176.870 0.070 0.000 1.023 1193 L CA -0.201 54.682 54.840 0.072 0.000 0.819 1193 L CB 0.911 42.974 42.059 0.007 0.000 1.212 1193 L HN 0.825 nan 8.230 nan 0.000 0.420 1194 R N 5.484 126.057 120.500 0.122 0.000 2.393 1194 R HA 0.714 5.054 4.340 -0.000 0.000 0.315 1194 R C -1.598 174.756 176.300 0.090 0.000 0.952 1194 R CA -0.533 55.636 56.100 0.114 0.000 0.842 1194 R CB 0.865 31.284 30.300 0.198 0.000 1.163 1194 R HN 0.753 nan 8.270 nan 0.000 0.450 1195 L N 2.677 123.932 121.223 0.053 0.000 2.329 1195 L HA 0.545 4.885 4.340 -0.000 0.000 0.279 1195 L C -0.150 176.744 176.870 0.039 0.000 1.014 1195 L CA -0.780 54.084 54.840 0.041 0.000 0.814 1195 L CB 1.860 43.934 42.059 0.024 0.000 1.257 1195 L HN 0.591 nan 8.230 nan 0.000 0.424 1196 E N 3.258 123.479 120.200 0.036 0.000 2.171 1196 E HA 0.574 4.924 4.350 -0.000 0.000 0.271 1196 E C -1.513 175.097 176.600 0.017 0.000 0.916 1196 E CA -0.663 55.755 56.400 0.030 0.000 0.774 1196 E CB 1.726 31.447 29.700 0.036 0.000 1.128 1196 E HN 0.495 nan 8.360 nan 0.000 0.403 1197 L N 2.696 123.926 121.223 0.011 0.000 2.331 1197 L HA 0.373 4.713 4.340 -0.000 0.000 0.275 1197 L C 0.257 177.128 176.870 0.002 0.000 1.022 1197 L CA -1.023 53.818 54.840 0.001 0.000 0.812 1197 L CB 1.273 43.325 42.059 -0.011 0.000 1.257 1197 L HN 0.501 nan 8.230 nan 0.000 0.435 1198 D N 1.182 121.581 120.400 -0.001 0.000 2.348 1198 D HA 0.084 4.724 4.640 -0.000 0.000 0.253 1198 D C 0.807 177.106 176.300 -0.002 0.000 1.161 1198 D CA 0.091 54.091 54.000 0.000 0.000 0.876 1198 D CB 1.469 42.270 40.800 -0.000 0.000 1.160 1198 D HN 0.444 nan 8.370 nan 0.000 0.459 1199 R N 2.851 123.351 120.500 0.001 0.000 2.057 1199 R HA -0.095 4.245 4.340 -0.000 0.000 0.229 1199 R C 2.037 178.336 176.300 -0.001 0.000 1.136 1199 R CA 1.434 57.534 56.100 -0.000 0.000 0.952 1199 R CB -0.155 30.147 30.300 0.002 0.000 0.848 1199 R HN 0.563 nan 8.270 nan 0.000 0.430 1200 A N 0.938 123.758 122.820 0.001 0.000 1.873 1200 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 1200 A C 2.338 179.923 177.584 0.003 0.000 1.193 1200 A CA 2.150 54.188 52.037 0.002 0.000 0.629 1200 A CB -1.102 17.900 19.000 0.004 0.000 0.826 1200 A HN 0.535 nan 8.150 nan 0.000 0.447 1201 A N -0.781 122.040 122.820 0.002 0.000 1.849 1201 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 1201 A C 1.957 179.539 177.584 -0.004 0.000 1.202 1201 A CA 2.116 54.154 52.037 0.001 0.000 0.629 1201 A CB -0.622 18.377 19.000 -0.002 0.000 0.834 1201 A HN 0.448 nan 8.150 nan 0.000 0.447 1202 M N 0.514 120.107 119.600 -0.011 0.000 2.772 1202 M HA -0.101 4.379 4.480 -0.000 0.000 0.247 1202 M C 0.590 176.879 176.300 -0.018 0.000 1.045 1202 M CA 0.880 56.169 55.300 -0.020 0.000 1.061 1202 M CB -1.393 31.193 32.600 -0.023 0.000 1.380 1202 M HN 0.493 nan 8.290 nan 0.000 0.544 1203 N N -1.003 117.691 118.700 -0.011 0.000 2.419 1203 N HA -0.025 4.714 4.740 -0.000 0.000 0.216 1203 N C 1.014 176.518 175.510 -0.010 0.000 1.118 1203 N CA 0.125 53.167 53.050 -0.013 0.000 0.850 1203 N CB 0.170 38.651 38.487 -0.010 0.000 1.292 1203 N HN 0.360 nan 8.380 nan 0.000 0.467 1204 D N 1.215 121.618 120.400 0.005 0.000 2.371 1204 D HA 0.001 4.641 4.640 -0.000 0.000 0.234 1204 D C 0.150 176.472 176.300 0.036 0.000 1.049 1204 D CA 0.750 54.766 54.000 0.026 0.000 0.907 1204 D CB 0.327 41.161 40.800 0.057 0.000 0.891 1204 D HN 0.201 nan 8.370 nan 0.000 0.531 1205 K N 0.361 120.766 120.400 0.008 0.000 2.614 1205 K HA 0.035 4.355 4.320 -0.000 0.000 0.190 1205 K C -0.877 175.710 176.600 -0.022 0.000 1.255 1205 K CA -0.477 55.812 56.287 0.003 0.000 1.099 1205 K CB 1.277 33.782 32.500 0.008 0.000 1.023 1205 K HN -0.111 nan 8.250 nan 0.000 0.576 1206 D N 1.827 122.210 120.400 -0.028 0.000 4.307 1206 D HA -0.181 4.459 4.640 -0.000 0.000 0.231 1206 D C -0.877 175.399 176.300 -0.039 0.000 1.031 1206 D CA 1.235 55.214 54.000 -0.035 0.000 1.233 1206 D CB -0.085 40.690 40.800 -0.041 0.000 0.755 1206 D HN 0.217 nan 8.370 nan 0.000 0.379 1207 L N 1.430 122.630 121.223 -0.040 0.000 2.403 1207 L HA 0.608 4.948 4.340 -0.000 0.000 0.253 1207 L C 0.127 176.965 176.870 -0.053 0.000 1.045 1207 L CA -0.684 54.125 54.840 -0.052 0.000 0.845 1207 L CB 2.594 44.619 42.059 -0.057 0.000 1.447 1207 L HN 0.159 nan 8.230 nan 0.000 0.411 1208 T N 0.514 115.023 114.554 -0.075 0.000 3.032 1208 T HA 0.269 4.619 4.350 -0.000 0.000 0.312 1208 T C 0.771 175.386 174.700 -0.142 0.000 1.078 1208 T CA -0.644 61.410 62.100 -0.077 0.000 1.028 1208 T CB 1.894 70.727 68.868 -0.058 0.000 1.091 1208 T HN 0.389 nan 8.240 nan 0.000 0.457 1209 M N 1.700 121.219 119.600 -0.135 0.000 2.088 1209 M HA -0.103 4.377 4.480 -0.000 0.000 0.256 1209 M C 2.549 178.508 176.300 -0.569 0.000 1.071 1209 M CA 2.410 57.554 55.300 -0.260 0.000 1.097 1209 M CB -1.828 30.721 32.600 -0.085 0.000 1.315 1209 M HN 0.866 nan 8.290 nan 0.000 0.406 1210 G N 0.129 108.723 108.800 -0.342 0.000 2.599 1210 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.219 1210 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.219 1210 G C 1.430 176.064 174.900 -0.444 0.000 1.193 1210 G CA 1.401 46.319 45.100 -0.302 0.000 0.778 1210 G HN 0.612 nan 8.290 nan 0.000 0.589 1211 Q N -0.177 119.469 119.800 -0.256 0.000 1.935 1211 Q HA -0.154 4.186 4.340 -0.000 0.000 0.212 1211 Q C 2.758 178.583 176.000 -0.291 0.000 1.008 1211 Q CA 1.926 57.605 55.803 -0.208 0.000 0.868 1211 Q CB -0.887 27.769 28.738 -0.137 0.000 0.946 1211 Q HN 0.301 nan 8.270 nan 0.000 0.418 1212 V N 0.959 120.700 119.914 -0.288 0.000 2.271 1212 V HA -0.398 3.722 4.120 -0.000 0.000 0.252 1212 V C 2.238 178.139 176.094 -0.323 0.000 1.037 1212 V CA 2.347 64.486 62.300 -0.268 0.000 1.077 1212 V CB -1.688 29.979 31.823 -0.260 0.000 0.712 1212 V HN 0.775 nan 8.190 nan 0.000 0.487 1213 G N -0.859 107.611 108.800 -0.549 0.000 2.505 1213 G HA2 -0.308 3.651 3.960 -0.000 0.000 0.220 1213 G HA3 -0.308 3.651 3.960 -0.000 0.000 0.220 1213 G C 1.335 176.025 174.900 -0.350 0.000 1.145 1213 G CA 1.043 45.832 45.100 -0.519 0.000 0.761 1213 G HN 0.582 nan 8.290 nan 0.000 0.571 1214 E N 0.063 119.985 120.200 -0.465 0.000 2.284 1214 E HA -0.180 4.169 4.350 -0.000 0.000 0.200 1214 E C 2.483 179.061 176.600 -0.037 0.000 1.008 1214 E CA 1.023 57.350 56.400 -0.123 0.000 0.829 1214 E CB -0.091 29.550 29.700 -0.097 0.000 0.744 1214 E HN 0.396 nan 8.360 nan 0.000 0.491 1215 R N 0.453 120.906 120.500 -0.077 0.000 2.075 1215 R HA 0.110 4.450 4.340 -0.000 0.000 0.220 1215 R C 2.365 178.679 176.300 0.024 0.000 1.118 1215 R CA 0.662 56.744 56.100 -0.030 0.000 0.986 1215 R CB -0.546 29.720 30.300 -0.057 0.000 0.884 1215 R HN 0.108 nan 8.270 nan 0.000 0.439 1216 I N 1.000 121.593 120.570 0.038 0.000 2.113 1216 I HA -0.348 3.822 4.170 -0.000 0.000 0.242 1216 I C 2.181 178.461 176.117 0.271 0.000 1.064 1216 I CA 1.678 63.085 61.300 0.179 0.000 1.320 1216 I CB -0.487 37.604 38.000 0.153 0.000 1.028 1216 I HN 0.130 nan 8.210 nan 0.000 0.406 1217 K N 1.438 121.959 120.400 0.201 0.000 2.059 1217 K HA -0.266 4.053 4.320 -0.000 0.000 0.212 1217 K C 2.142 178.860 176.600 0.196 0.000 1.050 1217 K CA 2.199 58.623 56.287 0.228 0.000 0.927 1217 K CB -0.317 32.334 32.500 0.252 0.000 0.714 1217 K HN 0.644 nan 8.250 nan 0.000 0.447 1218 Q N -1.837 118.042 119.800 0.133 0.000 2.331 1218 Q HA 0.005 4.345 4.340 -0.000 0.000 0.203 1218 Q C 1.567 177.599 176.000 0.054 0.000 0.944 1218 Q CA 1.376 57.232 55.803 0.088 0.000 0.892 1218 Q CB -0.157 28.613 28.738 0.053 0.000 0.983 1218 Q HN 0.104 nan 8.270 nan 0.000 0.482 1219 T N 0.559 115.136 114.554 0.038 0.000 2.746 1219 T HA -0.068 4.282 4.350 -0.000 0.000 0.267 1219 T C 0.984 175.551 174.700 -0.222 0.000 1.039 1219 T CA 1.472 63.497 62.100 -0.125 0.000 1.142 1219 T CB -0.185 68.558 68.868 -0.208 0.000 0.866 1219 T HN 0.281 nan 8.240 nan 0.000 0.444 1220 F N 0.486 120.458 119.950 0.037 0.000 2.315 1220 F HA 0.321 4.848 4.527 -0.000 0.000 0.284 1220 F C 1.482 177.312 175.800 0.050 0.000 1.049 1220 F CA -0.023 58.003 58.000 0.044 0.000 1.323 1220 F CB -0.030 39.000 39.000 0.051 0.000 1.113 1220 F HN -0.004 nan 8.300 nan 0.000 0.544 1221 K N -0.729 119.834 120.400 0.272 0.000 7.321 1221 K HA -0.242 4.078 4.320 -0.000 0.000 0.195 1221 K C -0.693 176.004 176.600 0.163 0.000 1.547 1221 K CA 0.811 57.203 56.287 0.175 0.000 0.854 1221 K CB -1.322 31.250 32.500 0.119 0.000 0.492 1221 K HN 0.009 nan 8.250 nan 0.000 0.472 1222 N N 2.652 121.427 118.700 0.126 0.000 2.868 1222 N HA 0.169 4.909 4.740 -0.000 0.000 0.252 1222 N C -0.747 174.827 175.510 0.105 0.000 1.130 1222 N CA 0.747 53.860 53.050 0.105 0.000 1.026 1222 N CB 0.272 38.804 38.487 0.075 0.000 1.335 1222 N HN 0.547 nan 8.380 nan 0.000 0.516 1223 D N -0.452 120.020 120.400 0.119 0.000 2.284 1223 D HA -0.078 4.562 4.640 -0.000 0.000 0.708 1223 D C -0.627 175.728 176.300 0.092 0.000 0.639 1223 D CA -0.262 53.803 54.000 0.107 0.000 1.234 1223 D CB -0.328 40.549 40.800 0.128 0.000 1.368 1223 D HN 0.191 nan 8.370 nan 0.000 0.350 1224 L N 1.834 123.114 121.223 0.095 0.000 2.415 1224 L HA 0.581 4.920 4.340 -0.000 0.000 0.268 1224 L C -1.462 175.470 176.870 0.103 0.000 0.984 1224 L CA -0.951 53.899 54.840 0.016 0.000 0.853 1224 L CB 1.429 43.362 42.059 -0.210 0.000 1.215 1224 L HN -0.020 nan 8.230 nan 0.000 0.419 1225 F N 6.292 126.230 119.950 -0.021 0.000 2.443 1225 F HA 0.723 5.250 4.527 -0.000 0.000 0.353 1225 F C -0.814 174.977 175.800 -0.014 0.000 1.101 1225 F CA -0.331 57.663 58.000 -0.011 0.000 1.226 1225 F CB 0.988 39.974 39.000 -0.023 0.000 1.140 1225 F HN 0.259 nan 8.300 nan 0.000 0.557 1226 V N 7.229 126.819 119.914 -0.540 0.000 2.888 1226 V HA 0.520 4.640 4.120 -0.000 0.000 0.309 1226 V C -0.154 175.561 176.094 -0.631 0.000 1.114 1226 V CA -0.817 61.162 62.300 -0.535 0.000 0.940 1226 V CB 1.780 33.596 31.823 -0.012 0.000 1.021 1226 V HN 0.801 nan 8.190 nan 0.000 0.426 1227 I N 1.890 122.106 120.570 -0.590 0.000 3.457 1227 I HA 0.801 4.971 4.170 -0.000 0.000 0.307 1227 I C -1.440 174.590 176.117 -0.145 0.000 1.138 1227 I CA -0.777 60.076 61.300 -0.745 0.000 0.974 1227 I CB 2.594 40.113 38.000 -0.802 0.000 1.324 1227 I HN 0.895 nan 8.210 nan 0.000 0.485 1228 W N -0.008 121.204 121.300 -0.146 0.000 3.524 1228 W HA 0.528 5.188 4.660 -0.000 0.000 0.287 1228 W C -0.579 175.929 176.519 -0.018 0.000 1.247 1228 W CA -0.791 56.512 57.345 -0.069 0.000 1.197 1228 W CB -0.418 29.017 29.460 -0.041 0.000 1.323 1228 W HN 0.627 nan 8.180 nan 0.000 0.567 1229 S N 0.654 116.504 115.700 0.250 0.000 2.463 1229 S HA 0.599 5.069 4.470 -0.000 0.000 0.241 1229 S C -0.304 174.440 174.600 0.240 0.000 1.299 1229 S CA -0.028 58.270 58.200 0.163 0.000 0.979 1229 S CB 0.515 63.773 63.200 0.097 0.000 0.950 1229 S HN 0.639 nan 8.310 nan 0.000 0.516 1230 E N -0.544 119.746 120.200 0.150 0.000 2.340 1230 E HA 0.262 4.612 4.350 -0.000 0.000 0.273 1230 E C -0.373 176.277 176.600 0.082 0.000 0.891 1230 E CA -0.670 55.814 56.400 0.141 0.000 0.757 1230 E CB 1.617 31.388 29.700 0.119 0.000 1.231 1230 E HN 0.574 nan 8.360 nan 0.000 0.439 1231 D N 1.084 121.524 120.400 0.067 0.000 2.322 1231 D HA -0.199 4.441 4.640 -0.000 0.000 0.210 1231 D C 1.109 177.428 176.300 0.031 0.000 0.983 1231 D CA 0.893 54.915 54.000 0.035 0.000 0.902 1231 D CB 0.240 41.055 40.800 0.025 0.000 0.905 1231 D HN 0.366 nan 8.370 nan 0.000 0.483 1232 N N 1.381 120.105 118.700 0.039 0.000 2.047 1232 N HA -0.100 4.640 4.740 -0.000 0.000 0.193 1232 N C 0.285 175.810 175.510 0.025 0.000 1.055 1232 N CA 0.800 53.868 53.050 0.030 0.000 0.847 1232 N CB 0.085 38.592 38.487 0.034 0.000 1.038 1232 N HN 0.098 nan 8.380 nan 0.000 0.427 1233 D N 0.524 120.941 120.400 0.029 0.000 2.303 1233 D HA -0.150 4.490 4.640 -0.000 0.000 0.233 1233 D C 1.200 177.511 176.300 0.018 0.000 1.313 1233 D CA 0.405 54.419 54.000 0.023 0.000 0.883 1233 D CB 0.298 41.114 40.800 0.026 0.000 1.220 1233 D HN 0.578 nan 8.370 nan 0.000 0.490 1234 E N -0.577 119.631 120.200 0.014 0.000 2.340 1234 E HA -0.022 4.328 4.350 -0.000 0.000 0.194 1234 E C 0.016 176.624 176.600 0.013 0.000 0.996 1234 E CA 0.367 56.774 56.400 0.011 0.000 0.869 1234 E CB 0.299 30.004 29.700 0.008 0.000 0.835 1234 E HN 0.190 nan 8.360 nan 0.000 0.493 1235 K N 1.774 122.182 120.400 0.014 0.000 2.367 1235 K HA 0.364 4.684 4.320 -0.000 0.000 0.263 1235 K C -0.818 175.795 176.600 0.023 0.000 1.000 1235 K CA -0.435 55.862 56.287 0.016 0.000 0.891 1235 K CB 1.655 34.162 32.500 0.011 0.000 1.117 1235 K HN 0.098 nan 8.250 nan 0.000 0.443 1236 L N 5.359 126.596 121.223 0.024 0.000 2.305 1236 L HA 0.551 4.891 4.340 -0.000 0.000 0.281 1236 L C 0.080 176.971 176.870 0.035 0.000 1.085 1236 L CA -0.411 54.449 54.840 0.032 0.000 0.813 1236 L CB 0.273 42.344 42.059 0.021 0.000 1.157 1236 L HN 0.470 nan 8.230 nan 0.000 0.436 1237 I N 3.067 123.669 120.570 0.053 0.000 3.181 1237 I HA 0.488 4.658 4.170 -0.000 0.000 0.311 1237 I C -0.992 175.174 176.117 0.082 0.000 1.287 1237 I CA -0.610 60.721 61.300 0.051 0.000 0.958 1237 I CB 3.051 41.070 38.000 0.030 0.000 1.294 1237 I HN 0.431 nan 8.210 nan 0.000 0.467 1238 I N 2.579 123.185 120.570 0.060 0.000 2.534 1238 I HA 0.412 4.582 4.170 -0.000 0.000 0.286 1238 I C -0.644 175.477 176.117 0.007 0.000 1.094 1238 I CA -0.572 60.772 61.300 0.073 0.000 1.055 1238 I CB 1.778 39.816 38.000 0.062 0.000 1.225 1238 I HN 0.464 nan 8.210 nan 0.000 0.435 1239 R N 4.472 124.939 120.500 -0.056 0.000 2.607 1239 R HA 0.914 5.254 4.340 -0.000 0.000 0.261 1239 R C -0.925 175.244 176.300 -0.218 0.000 1.051 1239 R CA -0.686 55.341 56.100 -0.122 0.000 1.110 1239 R CB 1.811 32.012 30.300 -0.164 0.000 1.158 1239 R HN 0.803 nan 8.270 nan 0.000 0.543 1240 C N -1.134 118.044 119.300 -0.204 0.000 3.141 1240 C HA 0.402 4.862 4.460 -0.000 0.000 0.422 1240 C C -0.764 174.186 174.990 -0.067 0.000 0.998 1240 C CA -1.338 57.534 59.018 -0.243 0.000 1.084 1240 C CB 0.701 28.321 27.740 -0.200 0.000 1.513 1240 C HN 0.985 nan 8.230 nan 0.000 0.616 1241 R N 1.334 121.848 120.500 0.023 0.000 2.987 1241 R HA 0.926 5.266 4.340 -0.000 0.000 0.248 1241 R C -0.024 176.340 176.300 0.107 0.000 1.264 1241 R CA -0.666 55.507 56.100 0.122 0.000 1.026 1241 R CB 1.108 31.535 30.300 0.210 0.000 1.286 1241 R HN 0.574 nan 8.270 nan 0.000 0.483 1242 V N -0.276 119.707 119.914 0.115 0.000 4.635 1242 V HA 0.512 4.632 4.120 -0.000 0.000 0.272 1242 V C -0.092 176.061 176.094 0.097 0.000 1.265 1242 V CA -0.485 61.868 62.300 0.090 0.000 0.747 1242 V CB 0.827 32.706 31.823 0.094 0.000 1.246 1242 V HN 0.413 nan 8.190 nan 0.000 0.404 1243 V N -1.449 118.512 119.914 0.078 0.000 3.216 1243 V HA 0.476 4.596 4.120 -0.000 0.000 0.302 1243 V C -0.020 176.103 176.094 0.048 0.000 1.286 1243 V CA -0.737 61.598 62.300 0.058 0.000 1.048 1243 V CB 2.380 34.239 31.823 0.059 0.000 1.081 1243 V HN 0.758 nan 8.190 nan 0.000 0.442 1244 R N 2.017 122.535 120.500 0.030 0.000 3.213 1244 R HA 0.369 4.709 4.340 -0.000 0.000 0.188 1244 R C -1.964 174.354 176.300 0.030 0.000 0.931 1244 R CA -0.337 55.779 56.100 0.025 0.000 1.218 1244 R CB -0.419 29.887 30.300 0.010 0.000 0.742 1244 R HN 0.693 nan 8.270 nan 0.000 0.484 1245 P HA 0.384 nan 4.420 nan 0.000 0.286 1245 P C -1.391 175.919 177.300 0.015 0.000 1.292 1245 P CA -0.470 62.639 63.100 0.015 0.000 0.842 1245 P CB 1.844 33.551 31.700 0.012 0.000 1.207 1255 E N 0.238 120.497 120.200 0.098 0.000 5.833 1255 E HA -0.077 4.272 4.350 -0.000 0.000 0.230 1255 E C 0.120 176.810 176.600 0.150 0.000 1.046 1255 E CA 0.441 56.907 56.400 0.111 0.000 1.398 1255 E CB -1.091 28.634 29.700 0.040 0.000 0.949 1255 E HN 0.756 nan 8.360 nan 0.000 0.362 1256 E N 0.224 120.562 120.200 0.229 0.000 2.060 1256 E HA -0.083 4.267 4.350 -0.000 0.000 0.189 1256 E C 1.224 177.870 176.600 0.077 0.000 0.974 1256 E CA 0.145 56.697 56.400 0.255 0.000 0.808 1256 E CB 0.180 30.203 29.700 0.538 0.000 0.768 1256 E HN 0.295 nan 8.360 nan 0.000 0.453 1257 D N 0.359 120.704 120.400 -0.091 0.000 2.271 1257 D HA -0.195 4.445 4.640 -0.000 0.000 0.207 1257 D C 1.771 177.963 176.300 -0.180 0.000 0.983 1257 D CA 0.926 54.682 54.000 -0.406 0.000 0.878 1257 D CB 0.032 40.578 40.800 -0.424 0.000 0.920 1257 D HN 0.228 nan 8.370 nan 0.000 0.479 1258 H N -0.397 118.614 119.070 -0.099 0.000 2.326 1258 H HA -0.035 4.521 4.556 -0.000 0.000 0.301 1258 H C 2.034 177.336 175.328 -0.043 0.000 1.081 1258 H CA 1.104 57.118 56.048 -0.058 0.000 1.334 1258 H CB 0.193 29.945 29.762 -0.017 0.000 1.385 1258 H HN 0.165 nan 8.280 nan 0.000 0.504 1259 M N -0.161 119.526 119.600 0.145 0.000 2.334 1259 M HA -0.056 4.424 4.480 -0.000 0.000 0.266 1259 M C 1.482 177.804 176.300 0.036 0.000 1.082 1259 M CA 0.336 55.697 55.300 0.101 0.000 1.141 1259 M CB 0.122 32.785 32.600 0.105 0.000 1.380 1259 M HN 0.018 nan 8.290 nan 0.000 0.440 1260 L N 0.557 121.776 121.223 -0.006 0.000 2.801 1260 L HA 0.068 4.408 4.340 -0.000 0.000 0.250 1260 L C 1.016 177.836 176.870 -0.083 0.000 1.222 1260 L CA 1.297 56.116 54.840 -0.036 0.000 1.054 1260 L CB -1.294 40.746 42.059 -0.032 0.000 1.330 1260 L HN 0.277 nan 8.230 nan 0.000 0.426 1261 K N -1.819 118.540 120.400 -0.068 0.000 2.585 1261 K HA 0.124 4.444 4.320 -0.000 0.000 0.210 1261 K C 1.637 178.213 176.600 -0.040 0.000 1.504 1261 K CA 0.012 56.247 56.287 -0.087 0.000 1.029 1261 K CB 0.678 33.088 32.500 -0.150 0.000 1.332 1261 K HN 0.135 nan 8.250 nan 0.000 0.569 1262 K N 0.569 120.968 120.400 -0.002 0.000 2.116 1262 K HA 0.084 4.404 4.320 -0.000 0.000 0.203 1262 K C 1.422 178.064 176.600 0.070 0.000 1.052 1262 K CA 1.028 57.337 56.287 0.037 0.000 0.952 1262 K CB 0.139 32.682 32.500 0.072 0.000 0.729 1262 K HN 0.075 nan 8.250 nan 0.000 0.446 1263 I N 1.678 122.295 120.570 0.079 0.000 3.444 1263 I HA -0.127 4.043 4.170 -0.000 0.000 0.287 1263 I C 2.159 178.329 176.117 0.088 0.000 1.302 1263 I CA 0.392 61.770 61.300 0.130 0.000 1.368 1263 I CB -0.203 37.821 38.000 0.040 0.000 1.048 1263 I HN 0.194 nan 8.210 nan 0.000 0.487 1264 E N 1.986 122.211 120.200 0.042 0.000 2.005 1264 E HA -0.177 4.172 4.350 -0.000 0.000 0.191 1264 E C 1.792 178.420 176.600 0.047 0.000 0.987 1264 E CA 1.673 58.086 56.400 0.022 0.000 0.814 1264 E CB -0.175 29.517 29.700 -0.014 0.000 0.772 1264 E HN 0.290 nan 8.360 nan 0.000 0.453 1265 N N -0.219 118.504 118.700 0.039 0.000 2.216 1265 N HA -0.073 4.667 4.740 -0.000 0.000 0.183 1265 N C 1.750 177.296 175.510 0.059 0.000 1.017 1265 N CA 1.593 54.667 53.050 0.039 0.000 0.861 1265 N CB -0.539 37.960 38.487 0.021 0.000 0.986 1265 N HN 0.271 nan 8.380 nan 0.000 0.428 1266 T N 1.883 116.487 114.554 0.083 0.000 2.714 1266 T HA -0.169 4.181 4.350 -0.000 0.000 0.268 1266 T C 1.999 176.751 174.700 0.087 0.000 1.036 1266 T CA 1.253 63.403 62.100 0.083 0.000 1.148 1266 T CB -0.079 68.873 68.868 0.140 0.000 0.856 1266 T HN 0.261 nan 8.240 nan 0.000 0.462 1267 M N 0.012 119.705 119.600 0.156 0.000 2.134 1267 M HA 0.139 4.619 4.480 -0.000 0.000 0.262 1267 M C 2.050 178.393 176.300 0.072 0.000 1.076 1267 M CA 1.221 56.614 55.300 0.155 0.000 1.143 1267 M CB -0.403 32.319 32.600 0.202 0.000 1.346 1267 M HN 0.151 nan 8.290 nan 0.000 0.421 1268 L N -0.038 121.218 121.223 0.056 0.000 2.642 1268 L HA -0.172 4.168 4.340 -0.000 0.000 0.236 1268 L C 1.132 178.016 176.870 0.023 0.000 1.169 1268 L CA 0.927 55.786 54.840 0.031 0.000 0.851 1268 L CB -0.300 41.773 42.059 0.023 0.000 0.968 1268 L HN 0.423 nan 8.230 nan 0.000 0.453 1269 E N -2.086 118.129 120.200 0.025 0.000 3.297 1269 E HA 0.053 4.403 4.350 -0.000 0.000 0.232 1269 E C 0.934 177.547 176.600 0.022 0.000 1.143 1269 E CA -0.207 56.208 56.400 0.024 0.000 1.741 1269 E CB 0.302 30.015 29.700 0.022 0.000 1.925 1269 E HN 0.217 nan 8.360 nan 0.000 0.924 1270 N N 0.968 119.671 118.700 0.006 0.000 2.485 1270 N HA 0.100 4.840 4.740 -0.000 0.000 0.199 1270 N C -0.499 174.993 175.510 -0.030 0.000 1.236 1270 N CA 0.709 53.753 53.050 -0.010 0.000 0.852 1270 N CB 0.681 39.148 38.487 -0.033 0.000 1.018 1270 N HN 0.188 nan 8.380 nan 0.000 0.457 1271 I N 0.644 121.202 120.570 -0.019 0.000 2.410 1271 I HA 0.144 4.314 4.170 -0.000 0.000 0.286 1271 I C -0.276 175.813 176.117 -0.046 0.000 1.009 1271 I CA -0.174 61.104 61.300 -0.037 0.000 1.111 1271 I CB 1.795 39.782 38.000 -0.021 0.000 1.262 1271 I HN -0.213 nan 8.210 nan 0.000 0.443 1272 T N 6.179 120.693 114.554 -0.067 0.000 2.932 1272 T HA 0.475 4.825 4.350 -0.000 0.000 0.289 1272 T C 0.433 175.059 174.700 -0.124 0.000 1.039 1272 T CA -0.437 61.576 62.100 -0.144 0.000 1.024 1272 T CB 2.405 71.181 68.868 -0.154 0.000 1.090 1272 T HN 0.236 nan 8.240 nan 0.000 0.496 1273 L N 0.381 121.508 121.223 -0.159 0.000 2.541 1273 L HA 0.492 4.832 4.340 -0.000 0.000 0.187 1273 L C 1.047 177.857 176.870 -0.100 0.000 1.098 1273 L CA 0.947 55.718 54.840 -0.114 0.000 0.846 1273 L CB -0.250 41.743 42.059 -0.110 0.000 1.151 1273 L HN 0.413 nan 8.230 nan 0.000 0.492 1274 R N -1.466 118.961 120.500 -0.121 0.000 2.922 1274 R HA 0.649 4.988 4.340 -0.000 0.000 0.256 1274 R C -0.763 175.492 176.300 -0.075 0.000 1.138 1274 R CA -0.513 55.542 56.100 -0.075 0.000 0.995 1274 R CB 1.523 31.791 30.300 -0.054 0.000 1.226 1274 R HN 0.169 nan 8.270 nan 0.000 0.481 1275 G N 0.151 108.952 108.800 0.001 0.000 2.722 1275 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.686 1275 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.686 1275 G C -0.533 174.468 174.900 0.168 0.000 1.282 1275 G CA -0.654 44.492 45.100 0.077 0.000 0.817 1275 G HN 0.335 nan 8.290 nan 0.000 0.605 1276 V N 1.297 121.294 119.914 0.138 0.000 3.441 1276 V HA 0.565 4.685 4.120 -0.000 0.000 0.300 1276 V C 1.117 177.263 176.094 0.087 0.000 1.062 1276 V CA -0.090 62.273 62.300 0.104 0.000 1.064 1276 V CB 1.529 33.378 31.823 0.044 0.000 1.197 1276 V HN 1.003 nan 8.190 nan 0.000 0.451 1277 E N 1.381 121.564 120.200 -0.028 0.000 2.398 1277 E HA 0.106 4.456 4.350 -0.000 0.000 0.263 1277 E C 0.829 177.299 176.600 -0.216 0.000 1.046 1277 E CA 0.626 56.902 56.400 -0.206 0.000 0.908 1277 E CB 0.034 29.660 29.700 -0.124 0.000 0.963 1277 E HN 0.677 nan 8.360 nan 0.000 0.431 1278 N N 1.440 119.941 118.700 -0.331 0.000 2.624 1278 N HA -0.309 4.431 4.740 -0.000 0.000 0.222 1278 N C 0.020 175.456 175.510 -0.124 0.000 0.908 1278 N CA 1.461 54.393 53.050 -0.197 0.000 1.919 1278 N CB -1.445 36.973 38.487 -0.115 0.000 0.893 1278 N HN 0.392 nan 8.380 nan 0.000 0.549 1279 I N 3.400 123.919 120.570 -0.084 0.000 2.800 1279 I HA -0.042 4.128 4.170 -0.000 0.000 0.309 1279 I C 0.657 176.790 176.117 0.028 0.000 1.182 1279 I CA 1.091 62.382 61.300 -0.016 0.000 1.794 1279 I CB -0.661 37.346 38.000 0.012 0.000 1.548 1279 I HN 0.099 nan 8.210 nan 0.000 0.850 1280 E N 4.430 124.637 120.200 0.012 0.000 2.222 1280 E HA 0.630 4.980 4.350 -0.000 0.000 0.267 1280 E C -0.152 176.452 176.600 0.008 0.000 0.963 1280 E CA -1.042 55.379 56.400 0.035 0.000 0.837 1280 E CB 0.881 30.596 29.700 0.025 0.000 1.183 1280 E HN 0.145 nan 8.360 nan 0.000 0.403 1281 R N 0.225 120.720 120.500 -0.010 0.000 2.873 1281 R HA -0.131 4.209 4.340 -0.000 0.000 0.281 1281 R C -1.370 174.922 176.300 -0.013 0.000 0.933 1281 R CA -0.079 55.989 56.100 -0.054 0.000 0.712 1281 R CB -1.403 28.863 30.300 -0.057 0.000 1.780 1281 R HN 0.232 nan 8.270 nan 0.000 0.488 1282 V N 3.516 123.451 119.914 0.035 0.000 2.427 1282 V HA 0.483 4.603 4.120 -0.000 0.000 0.286 1282 V C 0.659 176.827 176.094 0.123 0.000 1.034 1282 V CA -0.528 61.812 62.300 0.067 0.000 0.893 1282 V CB 2.023 33.890 31.823 0.074 0.000 0.982 1282 V HN 0.212 nan 8.190 nan 0.000 0.452 1283 V N 5.357 125.321 119.914 0.083 0.000 2.628 1283 V HA 0.517 4.637 4.120 -0.000 0.000 0.306 1283 V C 0.038 176.171 176.094 0.064 0.000 1.045 1283 V CA -0.691 61.675 62.300 0.111 0.000 0.905 1283 V CB 1.951 33.821 31.823 0.078 0.000 0.997 1283 V HN 0.782 nan 8.190 nan 0.000 0.436 1284 M N 4.332 123.988 119.600 0.093 0.000 2.359 1284 M HA 0.645 5.125 4.480 -0.000 0.000 0.322 1284 M C -0.732 175.630 176.300 0.104 0.000 1.166 1284 M CA -0.152 55.212 55.300 0.107 0.000 1.067 1284 M CB 1.461 34.159 32.600 0.163 0.000 1.523 1284 M HN 0.421 nan 8.290 nan 0.000 0.467 1285 M N 1.873 121.513 119.600 0.066 0.000 2.307 1285 M HA 0.192 4.672 4.480 -0.000 0.000 0.279 1285 M C -1.070 175.086 176.300 -0.241 0.000 1.080 1285 M CA -0.419 54.826 55.300 -0.091 0.000 0.964 1285 M CB 2.197 34.647 32.600 -0.250 0.000 1.825 1285 M HN 0.607 nan 8.290 nan 0.000 0.489 1286 K N 3.732 123.878 120.400 -0.423 0.000 2.333 1286 K HA 0.299 4.619 4.320 -0.000 0.000 0.241 1286 K C -0.647 175.813 176.600 -0.233 0.000 1.193 1286 K CA -0.052 55.790 56.287 -0.741 0.000 1.142 1286 K CB 0.111 31.829 32.500 -1.302 0.000 1.731 1286 K HN 0.590 nan 8.250 nan 0.000 0.344 1287 Y N 0.721 120.923 120.300 -0.162 0.000 2.452 1287 Y HA -0.149 4.401 4.550 -0.000 0.000 0.355 1287 Y C 1.122 176.984 175.900 -0.063 0.000 1.266 1287 Y CA -0.348 57.719 58.100 -0.054 0.000 1.514 1287 Y CB 0.502 38.992 38.460 0.050 0.000 1.363 1287 Y HN 0.492 nan 8.280 nan 0.000 0.677 1288 D N 0.432 120.913 120.400 0.135 0.000 2.272 1288 D HA 0.433 5.073 4.640 -0.000 0.000 0.247 1288 D C -1.015 175.327 176.300 0.070 0.000 0.990 1288 D CA -0.475 53.559 54.000 0.057 0.000 0.931 1288 D CB 1.651 42.463 40.800 0.020 0.000 1.195 1288 D HN 0.425 nan 8.370 nan 0.000 0.477 1289 R N 1.436 121.971 120.500 0.058 0.000 2.633 1289 R HA 0.167 4.507 4.340 -0.000 0.000 0.256 1289 R C -1.055 175.283 176.300 0.064 0.000 1.131 1289 R CA -0.659 55.479 56.100 0.063 0.000 0.994 1289 R CB 1.090 31.436 30.300 0.076 0.000 1.261 1289 R HN 0.287 nan 8.270 nan 0.000 0.446 1290 K N 2.201 122.655 120.400 0.089 0.000 2.118 1290 K HA 0.654 4.974 4.320 -0.000 0.000 0.264 1290 K C -0.789 175.867 176.600 0.093 0.000 1.000 1290 K CA -0.807 55.566 56.287 0.142 0.000 0.929 1290 K CB 1.938 34.585 32.500 0.244 0.000 1.021 1290 K HN 0.248 nan 8.250 nan 0.000 0.463 1291 V N 1.914 121.822 119.914 -0.010 0.000 3.234 1291 V HA 0.120 4.240 4.120 -0.000 0.000 0.280 1291 V C -2.710 173.074 176.094 -0.517 0.000 1.580 1291 V CA -1.733 60.410 62.300 -0.262 0.000 1.032 1291 V CB 2.472 34.218 31.823 -0.128 0.000 1.203 1291 V HN 0.594 nan 8.190 nan 0.000 0.459 1292 P HA 0.095 nan 4.420 nan 0.000 0.259 1292 P C -0.299 176.856 177.300 -0.243 0.000 1.211 1292 P CA 0.679 63.464 63.100 -0.526 0.000 0.810 1292 P CB 0.283 31.757 31.700 -0.376 0.000 0.815 1293 S N 5.991 121.594 115.700 -0.161 0.000 2.568 1293 S HA 0.096 4.566 4.470 -0.000 0.000 0.282 1293 S C -0.703 173.860 174.600 -0.061 0.000 1.338 1293 S CA -1.202 56.956 58.200 -0.071 0.000 1.045 1293 S CB -0.037 63.151 63.200 -0.019 0.000 0.873 1293 S HN 0.315 nan 8.310 nan 0.000 0.516 1294 P HA -0.151 nan 4.420 nan 0.000 0.216 1294 P C 1.464 178.751 177.300 -0.022 0.000 1.150 1294 P CA 1.855 64.935 63.100 -0.033 0.000 0.843 1294 P CB -0.511 31.177 31.700 -0.019 0.000 0.787 1295 T N -3.742 110.807 114.554 -0.010 0.000 3.035 1295 T HA 0.185 4.534 4.350 -0.000 0.000 0.268 1295 T C 1.468 176.173 174.700 0.009 0.000 1.109 1295 T CA 1.857 63.959 62.100 0.005 0.000 1.119 1295 T CB -0.536 68.341 68.868 0.015 0.000 0.900 1295 T HN 0.330 nan 8.240 nan 0.000 0.503 1296 G N 0.808 109.606 108.800 -0.002 0.000 3.151 1296 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.197 1296 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.197 1296 G C -0.208 174.719 174.900 0.045 0.000 1.682 1296 G CA -0.139 44.966 45.100 0.008 0.000 1.205 1296 G HN 0.703 nan 8.290 nan 0.000 0.510 1297 E N 0.558 120.803 120.200 0.076 0.000 2.468 1297 E HA 0.401 4.751 4.350 -0.000 0.000 0.263 1297 E C -0.459 176.238 176.600 0.162 0.000 1.192 1297 E CA 0.089 56.572 56.400 0.139 0.000 1.016 1297 E CB 0.355 30.117 29.700 0.103 0.000 0.980 1297 E HN 0.406 nan 8.360 nan 0.000 0.467 1298 Y N -0.322 119.989 120.300 0.019 0.000 2.320 1298 Y HA 0.454 5.004 4.550 -0.000 0.000 0.324 1298 Y C -0.018 175.894 175.900 0.020 0.000 1.190 1298 Y CA -0.581 57.531 58.100 0.020 0.000 1.215 1298 Y CB 1.207 39.684 38.460 0.028 0.000 1.221 1298 Y HN 0.175 nan 8.280 nan 0.000 0.486 1299 V N 2.422 122.396 119.914 0.100 0.000 3.049 1299 V HA 0.302 4.422 4.120 -0.000 0.000 0.309 1299 V C -1.140 174.989 176.094 0.058 0.000 1.148 1299 V CA -1.968 60.375 62.300 0.072 0.000 0.990 1299 V CB 2.344 34.188 31.823 0.035 0.000 1.039 1299 V HN 0.546 nan 8.190 nan 0.000 0.430 1300 K N 2.373 122.806 120.400 0.055 0.000 2.336 1300 K HA 0.247 4.567 4.320 -0.000 0.000 0.290 1300 K C -0.113 176.506 176.600 0.032 0.000 1.067 1300 K CA 0.203 56.518 56.287 0.046 0.000 0.962 1300 K CB 0.622 33.145 32.500 0.038 0.000 1.008 1300 K HN 0.664 nan 8.250 nan 0.000 0.467 1301 E N 5.113 125.331 120.200 0.031 0.000 3.167 1301 E HA 0.130 4.480 4.350 -0.000 0.000 0.212 1301 E C -2.156 174.464 176.600 0.034 0.000 1.143 1301 E CA -2.335 54.082 56.400 0.027 0.000 1.002 1301 E CB 0.572 30.282 29.700 0.018 0.000 1.315 1301 E HN 0.389 nan 8.360 nan 0.000 0.422 1302 P HA -0.132 nan 4.420 nan 0.000 0.272 1302 P C -0.769 176.539 177.300 0.013 0.000 1.225 1302 P CA 0.638 63.740 63.100 0.002 0.000 0.800 1302 P CB 0.450 32.115 31.700 -0.058 0.000 0.894 1303 E N -1.819 118.375 120.200 -0.012 0.000 2.422 1303 E HA 0.329 4.679 4.350 -0.000 0.000 0.289 1303 E C -1.603 174.992 176.600 -0.008 0.000 0.985 1303 E CA -0.931 55.502 56.400 0.055 0.000 0.812 1303 E CB -0.048 29.743 29.700 0.151 0.000 1.226 1303 E HN 0.218 nan 8.360 nan 0.000 0.419 1304 W N 2.013 123.338 121.300 0.042 0.000 2.190 1304 W HA 0.499 5.159 4.660 -0.000 0.000 0.330 1304 W C -0.280 176.195 176.519 -0.074 0.000 1.299 1304 W CA -0.038 57.291 57.345 -0.027 0.000 1.215 1304 W CB 0.944 30.392 29.460 -0.019 0.000 1.147 1304 W HN 0.351 nan 8.180 nan 0.000 0.563 1305 V N 4.017 123.905 119.914 -0.044 0.000 2.969 1305 V HA 0.330 4.450 4.120 -0.000 0.000 0.304 1305 V C -0.310 175.616 176.094 -0.279 0.000 1.192 1305 V CA -1.315 60.857 62.300 -0.212 0.000 0.962 1305 V CB 1.684 33.243 31.823 -0.440 0.000 1.045 1305 V HN 0.339 nan 8.190 nan 0.000 0.428 1306 L N 3.090 124.200 121.223 -0.189 0.000 2.375 1306 L HA 0.623 4.962 4.340 -0.000 0.000 0.271 1306 L C 0.010 176.786 176.870 -0.157 0.000 1.107 1306 L CA -0.319 54.444 54.840 -0.128 0.000 0.806 1306 L CB 1.193 43.220 42.059 -0.052 0.000 1.146 1306 L HN 0.670 nan 8.230 nan 0.000 0.447 1307 E N 0.864 121.010 120.200 -0.090 0.000 2.266 1307 E HA 0.399 4.749 4.350 -0.000 0.000 0.268 1307 E C -0.870 175.721 176.600 -0.015 0.000 0.879 1307 E CA -0.551 55.822 56.400 -0.046 0.000 0.762 1307 E CB 2.762 32.458 29.700 -0.006 0.000 1.199 1307 E HN 0.470 nan 8.360 nan 0.000 0.422 1308 T N -0.185 114.363 114.554 -0.011 0.000 2.893 1308 T HA 0.190 4.540 4.350 -0.000 0.000 0.281 1308 T C -0.450 174.249 174.700 -0.003 0.000 1.027 1308 T CA -0.246 61.852 62.100 -0.004 0.000 0.953 1308 T CB 0.643 69.506 68.868 -0.008 0.000 1.434 1308 T HN 0.465 nan 8.240 nan 0.000 0.597 1309 D N -0.637 119.759 120.400 -0.006 0.000 2.783 1309 D HA 0.306 4.946 4.640 -0.000 0.000 0.306 1309 D C -0.186 176.105 176.300 -0.015 0.000 1.633 1309 D CA -0.024 53.971 54.000 -0.009 0.000 0.796 1309 D CB 0.297 41.091 40.800 -0.011 0.000 1.230 1309 D HN 0.713 nan 8.370 nan 0.000 0.441 1310 G N -0.452 108.336 108.800 -0.019 0.000 2.576 1310 G HA2 0.502 4.462 3.960 -0.000 0.000 0.290 1310 G HA3 0.502 4.462 3.960 -0.000 0.000 0.290 1310 G C -1.728 173.153 174.900 -0.031 0.000 1.442 1310 G CA -0.370 44.712 45.100 -0.030 0.000 0.792 1310 G HN -0.053 nan 8.290 nan 0.000 0.491 1311 V N 1.422 121.313 119.914 -0.038 0.000 2.524 1311 V HA 0.601 4.720 4.120 -0.000 0.000 0.297 1311 V C -0.727 175.345 176.094 -0.037 0.000 1.035 1311 V CA -0.921 61.358 62.300 -0.035 0.000 0.867 1311 V CB 1.828 33.630 31.823 -0.035 0.000 1.004 1311 V HN 0.778 nan 8.190 nan 0.000 0.426 1312 N N 3.830 122.513 118.700 -0.028 0.000 2.700 1312 N HA 0.101 4.840 4.740 -0.000 0.000 0.242 1312 N C 0.505 176.010 175.510 -0.009 0.000 1.541 1312 N CA -0.327 52.708 53.050 -0.024 0.000 0.764 1312 N CB 1.452 39.920 38.487 -0.033 0.000 1.319 1312 N HN 0.612 nan 8.380 nan 0.000 0.518 1313 L N 2.291 123.512 121.223 -0.004 0.000 2.042 1313 L HA -0.087 4.253 4.340 -0.000 0.000 0.210 1313 L C 1.820 178.701 176.870 0.018 0.000 1.076 1313 L CA 2.228 57.075 54.840 0.012 0.000 0.749 1313 L CB -0.884 41.186 42.059 0.018 0.000 0.893 1313 L HN 0.446 nan 8.230 nan 0.000 0.432 1314 S N -1.258 114.448 115.700 0.010 0.000 2.592 1314 S HA -0.192 4.278 4.470 -0.000 0.000 0.256 1314 S C 1.137 175.746 174.600 0.014 0.000 0.974 1314 S CA 1.544 59.751 58.200 0.012 0.000 0.963 1314 S CB -0.575 62.627 63.200 0.004 0.000 0.750 1314 S HN 0.802 nan 8.310 nan 0.000 0.538 1315 E N -0.839 119.371 120.200 0.017 0.000 2.926 1315 E HA 0.086 4.436 4.350 -0.000 0.000 0.232 1315 E C 0.922 177.537 176.600 0.025 0.000 1.095 1315 E CA 0.287 56.699 56.400 0.019 0.000 1.755 1315 E CB 0.022 29.731 29.700 0.014 0.000 2.411 1315 E HN 0.256 nan 8.360 nan 0.000 1.046 1316 V N 2.568 122.497 119.914 0.024 0.000 3.398 1316 V HA -0.176 3.943 4.120 -0.000 0.000 0.275 1316 V C 1.844 177.962 176.094 0.040 0.000 1.207 1316 V CA 1.505 63.822 62.300 0.029 0.000 1.189 1316 V CB -0.654 31.184 31.823 0.024 0.000 0.838 1316 V HN 0.316 nan 8.190 nan 0.000 0.546 1317 M N 0.800 120.426 119.600 0.042 0.000 2.718 1317 M HA 0.003 4.483 4.480 -0.000 0.000 0.259 1317 M C 1.899 178.228 176.300 0.047 0.000 1.240 1317 M CA 1.344 56.676 55.300 0.052 0.000 1.210 1317 M CB 0.363 32.995 32.600 0.053 0.000 1.281 1317 M HN 0.450 nan 8.290 nan 0.000 0.515 1318 T N 0.103 114.680 114.554 0.038 0.000 3.722 1318 T HA 0.253 4.603 4.350 -0.000 0.000 0.247 1318 T C -0.118 174.602 174.700 0.033 0.000 1.004 1318 T CA -0.334 61.786 62.100 0.034 0.000 0.947 1318 T CB -1.387 67.497 68.868 0.027 0.000 1.114 1318 T HN 0.095 nan 8.240 nan 0.000 0.633 1319 V N 2.963 122.901 119.914 0.039 0.000 2.667 1319 V HA 0.524 4.644 4.120 -0.000 0.000 0.308 1319 V C -2.056 174.065 176.094 0.045 0.000 1.048 1319 V CA -2.308 60.014 62.300 0.038 0.000 0.928 1319 V CB 2.018 33.864 31.823 0.038 0.000 1.004 1319 V HN 0.366 nan 8.190 nan 0.000 0.444 1320 P HA 0.333 nan 4.420 nan 0.000 0.278 1320 P C 0.651 177.984 177.300 0.056 0.000 1.238 1320 P CA 0.632 63.759 63.100 0.045 0.000 0.794 1320 P CB 1.447 33.164 31.700 0.028 0.000 0.955 1321 G N 2.106 110.958 108.800 0.088 0.000 2.217 1321 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.246 1321 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.246 1321 G C 0.117 175.107 174.900 0.150 0.000 0.990 1321 G CA 0.298 45.473 45.100 0.125 0.000 0.627 1321 G HN 0.778 nan 8.290 nan 0.000 0.522 1322 I N -1.822 118.815 120.570 0.113 0.000 2.750 1322 I HA 0.774 4.944 4.170 -0.000 0.000 0.308 1322 I C -0.913 175.267 176.117 0.106 0.000 1.016 1322 I CA -1.241 60.125 61.300 0.111 0.000 1.098 1322 I CB 2.070 40.125 38.000 0.091 0.000 1.279 1322 I HN -0.072 nan 8.210 nan 0.000 0.454 1323 D N 6.350 126.824 120.400 0.123 0.000 2.347 1323 D HA 0.285 4.925 4.640 -0.000 0.000 0.235 1323 D C -2.012 174.357 176.300 0.114 0.000 1.149 1323 D CA -2.049 52.013 54.000 0.104 0.000 0.850 1323 D CB 1.559 42.425 40.800 0.110 0.000 1.061 1323 D HN 0.422 nan 8.370 nan 0.000 0.487 1324 P HA 0.089 nan 4.420 nan 0.000 0.249 1324 P C 0.455 177.802 177.300 0.078 0.000 1.593 1324 P CA 0.043 63.192 63.100 0.083 0.000 0.896 1324 P CB 0.569 32.307 31.700 0.063 0.000 1.581 1325 T N -1.084 113.520 114.554 0.083 0.000 3.098 1325 T HA 0.200 4.549 4.350 -0.000 0.000 0.256 1325 T C 1.487 176.232 174.700 0.074 0.000 0.921 1325 T CA 0.225 62.363 62.100 0.063 0.000 0.916 1325 T CB 0.280 69.165 68.868 0.029 0.000 1.246 1325 T HN 0.038 nan 8.240 nan 0.000 0.511 1326 R N 0.660 121.220 120.500 0.101 0.000 2.334 1326 R HA 0.424 4.764 4.340 -0.000 0.000 0.212 1326 R C 0.926 177.460 176.300 0.390 0.000 0.897 1326 R CA -0.190 55.968 56.100 0.096 0.000 1.056 1326 R CB 0.375 30.593 30.300 -0.137 0.000 1.046 1326 R HN 0.408 nan 8.270 nan 0.000 0.513 1327 I N 1.043 121.826 120.570 0.356 0.000 2.815 1327 I HA -0.139 4.031 4.170 -0.000 0.000 0.291 1327 I C -1.018 175.334 176.117 0.391 0.000 1.209 1327 I CA 0.447 61.955 61.300 0.348 0.000 1.431 1327 I CB 0.315 38.435 38.000 0.200 0.000 1.351 1327 I HN 0.014 nan 8.210 nan 0.000 0.585 1328 Y N 6.145 126.566 120.300 0.203 0.000 2.362 1328 Y HA 0.328 4.878 4.550 -0.000 0.000 0.326 1328 Y C -0.761 175.216 175.900 0.128 0.000 1.083 1328 Y CA -0.741 57.463 58.100 0.174 0.000 1.073 1328 Y CB 1.417 40.010 38.460 0.223 0.000 1.211 1328 Y HN 0.618 nan 8.280 nan 0.000 0.433 1329 T N 4.053 118.368 114.554 -0.399 0.000 2.859 1329 T HA 0.256 4.606 4.350 -0.000 0.000 0.281 1329 T C 0.864 175.120 174.700 -0.740 0.000 1.005 1329 T CA -0.138 61.710 62.100 -0.420 0.000 1.025 1329 T CB 0.668 69.445 68.868 -0.151 0.000 0.977 1329 T HN 0.838 nan 8.240 nan 0.000 0.458 1330 N N 2.667 121.074 118.700 -0.488 0.000 2.188 1330 N HA -0.058 4.681 4.740 -0.000 0.000 0.184 1330 N C 0.997 176.537 175.510 0.051 0.000 1.018 1330 N CA 0.610 53.491 53.050 -0.282 0.000 0.858 1330 N CB -0.267 38.173 38.487 -0.079 0.000 0.989 1330 N HN 0.373 nan 8.380 nan 0.000 0.426 1331 S N 0.461 116.196 115.700 0.058 0.000 2.898 1331 S HA 0.012 4.482 4.470 -0.000 0.000 0.324 1331 S C 0.798 175.492 174.600 0.157 0.000 1.171 1331 S CA -0.637 57.652 58.200 0.148 0.000 1.288 1331 S CB -1.264 61.931 63.200 -0.008 0.000 1.490 1331 S HN 0.395 nan 8.310 nan 0.000 0.570 1332 F N 4.232 124.191 119.950 0.015 0.000 2.154 1332 F HA -0.175 4.352 4.527 -0.000 0.000 0.301 1332 F C 1.752 177.581 175.800 0.049 0.000 1.087 1332 F CA 0.511 58.548 58.000 0.062 0.000 1.274 1332 F CB -0.780 38.270 39.000 0.084 0.000 1.009 1332 F HN 0.433 nan 8.300 nan 0.000 0.485 1333 I N 1.508 121.752 120.570 -0.543 0.000 2.113 1333 I HA -0.314 3.856 4.170 -0.000 0.000 0.242 1333 I C 2.054 178.090 176.117 -0.135 0.000 1.064 1333 I CA 1.867 62.948 61.300 -0.365 0.000 1.320 1333 I CB -1.625 36.127 38.000 -0.413 0.000 1.028 1333 I HN 0.250 nan 8.210 nan 0.000 0.406 1334 D N 0.974 121.311 120.400 -0.105 0.000 2.149 1334 D HA -0.115 4.525 4.640 -0.000 0.000 0.198 1334 D C 2.420 178.728 176.300 0.015 0.000 0.990 1334 D CA 1.195 55.172 54.000 -0.038 0.000 0.839 1334 D CB 0.059 40.839 40.800 -0.034 0.000 0.948 1334 D HN 0.422 nan 8.370 nan 0.000 0.460 1335 I N 0.813 121.417 120.570 0.057 0.000 2.439 1335 I HA -0.175 3.995 4.170 -0.000 0.000 0.251 1335 I C 2.508 178.683 176.117 0.098 0.000 1.139 1335 I CA 0.492 61.859 61.300 0.111 0.000 1.438 1335 I CB -0.176 37.944 38.000 0.200 0.000 1.085 1335 I HN 0.018 nan 8.210 nan 0.000 0.427 1336 M N 0.843 120.492 119.600 0.081 0.000 2.254 1336 M HA -0.175 4.304 4.480 -0.000 0.000 0.265 1336 M C 1.876 178.201 176.300 0.042 0.000 1.066 1336 M CA 1.897 57.239 55.300 0.070 0.000 1.123 1336 M CB -0.160 32.476 32.600 0.060 0.000 1.388 1336 M HN 0.204 nan 8.290 nan 0.000 0.425 1337 E N -0.459 119.753 120.200 0.020 0.000 2.028 1337 E HA -0.129 4.221 4.350 -0.000 0.000 0.190 1337 E C 2.036 178.649 176.600 0.021 0.000 0.984 1337 E CA 1.334 57.741 56.400 0.011 0.000 0.800 1337 E CB -0.058 29.637 29.700 -0.008 0.000 0.758 1337 E HN 0.345 nan 8.360 nan 0.000 0.448 1338 V N 1.604 121.534 119.914 0.027 0.000 2.244 1338 V HA -0.231 3.889 4.120 -0.000 0.000 0.244 1338 V C 2.286 178.405 176.094 0.042 0.000 1.042 1338 V CA 1.500 63.820 62.300 0.032 0.000 1.006 1338 V CB -0.470 31.376 31.823 0.038 0.000 0.641 1338 V HN 0.197 nan 8.190 nan 0.000 0.446 1339 L N -0.261 120.996 121.223 0.056 0.000 2.004 1339 L HA 0.337 4.677 4.340 -0.000 0.000 0.205 1339 L C 1.088 177.990 176.870 0.054 0.000 1.089 1339 L CA 1.417 56.293 54.840 0.061 0.000 0.756 1339 L CB -0.509 41.599 42.059 0.082 0.000 0.900 1339 L HN 0.554 nan 8.230 nan 0.000 0.440 1340 G N -1.278 107.558 108.800 0.060 0.000 2.141 1340 G HA2 0.015 3.975 3.960 -0.000 0.000 0.177 1340 G HA3 0.015 3.975 3.960 -0.000 0.000 0.177 1340 G C 0.117 175.055 174.900 0.063 0.000 1.510 1340 G CA -0.206 44.927 45.100 0.055 0.000 1.082 1340 G HN 0.226 nan 8.290 nan 0.000 0.622 1341 I N 0.139 120.748 120.570 0.065 0.000 3.883 1341 I HA -0.443 3.727 4.170 -0.000 0.000 0.151 1341 I C 2.469 178.635 176.117 0.082 0.000 0.677 1341 I CA 2.738 64.082 61.300 0.074 0.000 1.012 1341 I CB 0.135 38.173 38.000 0.063 0.000 0.844 1341 I HN 0.645 nan 8.210 nan 0.000 0.263 1342 E N 0.359 120.602 120.200 0.071 0.000 2.114 1342 E HA -0.271 4.079 4.350 -0.000 0.000 0.199 1342 E C 2.039 178.685 176.600 0.076 0.000 1.008 1342 E CA 1.779 58.220 56.400 0.069 0.000 0.810 1342 E CB -0.402 29.333 29.700 0.058 0.000 0.739 1342 E HN 0.784 nan 8.360 nan 0.000 0.456 1343 A N 0.455 123.324 122.820 0.081 0.000 2.119 1343 A HA 0.071 4.391 4.320 -0.000 0.000 0.216 1343 A C 2.306 179.969 177.584 0.131 0.000 1.152 1343 A CA 1.370 53.464 52.037 0.095 0.000 0.708 1343 A CB -0.452 18.603 19.000 0.091 0.000 0.805 1343 A HN 0.305 nan 8.150 nan 0.000 0.460 1344 G N -0.516 108.362 108.800 0.130 0.000 2.404 1344 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.213 1344 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.213 1344 G C 1.689 176.699 174.900 0.183 0.000 1.189 1344 G CA 0.701 45.902 45.100 0.169 0.000 0.796 1344 G HN 0.460 nan 8.290 nan 0.000 0.532 1345 R N 0.568 121.152 120.500 0.141 0.000 2.113 1345 R HA -0.184 4.156 4.340 -0.000 0.000 0.244 1345 R C 2.873 179.262 176.300 0.149 0.000 1.142 1345 R CA 1.688 57.867 56.100 0.131 0.000 0.953 1345 R CB -0.558 29.798 30.300 0.093 0.000 0.860 1345 R HN 0.292 nan 8.270 nan 0.000 0.438 1346 A N 0.664 123.560 122.820 0.126 0.000 1.873 1346 A HA -0.319 4.000 4.320 -0.000 0.000 0.219 1346 A C 2.378 180.062 177.584 0.167 0.000 1.269 1346 A CA 2.758 54.865 52.037 0.116 0.000 0.671 1346 A CB -1.329 17.722 19.000 0.085 0.000 0.842 1346 A HN 0.596 nan 8.150 nan 0.000 0.460 1347 A N -1.308 121.645 122.820 0.222 0.000 1.908 1347 A HA -0.023 4.297 4.320 -0.000 0.000 0.218 1347 A C 2.183 179.884 177.584 0.194 0.000 1.181 1347 A CA 1.925 54.156 52.037 0.323 0.000 0.627 1347 A CB -0.676 18.618 19.000 0.490 0.000 0.818 1347 A HN 0.824 nan 8.150 nan 0.000 0.445 1348 L N -1.464 119.844 121.223 0.142 0.000 1.989 1348 L HA -0.197 4.143 4.340 -0.000 0.000 0.211 1348 L C 2.352 179.204 176.870 -0.030 0.000 1.071 1348 L CA 2.663 57.472 54.840 -0.052 0.000 0.749 1348 L CB -0.975 41.114 42.059 0.050 0.000 0.890 1348 L HN 0.554 nan 8.230 nan 0.000 0.431 1349 Y N 0.031 120.316 120.300 -0.026 0.000 2.070 1349 Y HA -0.303 4.247 4.550 -0.000 0.000 0.280 1349 Y C 2.669 178.582 175.900 0.021 0.000 1.148 1349 Y CA 2.246 60.331 58.100 -0.024 0.000 1.125 1349 Y CB -0.292 38.143 38.460 -0.042 0.000 0.975 1349 Y HN 0.101 nan 8.280 nan 0.000 0.492 1350 K N 0.661 121.229 120.400 0.280 0.000 2.077 1350 K HA -0.300 4.020 4.320 -0.000 0.000 0.213 1350 K C 2.003 178.659 176.600 0.094 0.000 1.051 1350 K CA 2.258 58.644 56.287 0.165 0.000 0.929 1350 K CB -0.454 32.086 32.500 0.067 0.000 0.715 1350 K HN 0.456 nan 8.250 nan 0.000 0.451 1351 E N -0.069 120.172 120.200 0.068 0.000 2.015 1351 E HA -0.084 4.265 4.350 -0.000 0.000 0.191 1351 E C 2.006 178.568 176.600 -0.064 0.000 0.991 1351 E CA 1.402 57.812 56.400 0.017 0.000 0.802 1351 E CB -0.238 29.404 29.700 -0.097 0.000 0.759 1351 E HN 0.052 nan 8.360 nan 0.000 0.447 1352 V N 0.873 120.688 119.914 -0.165 0.000 2.370 1352 V HA -0.308 3.812 4.120 -0.000 0.000 0.252 1352 V C 2.184 178.164 176.094 -0.190 0.000 1.068 1352 V CA 2.241 64.423 62.300 -0.196 0.000 1.061 1352 V CB -0.833 30.846 31.823 -0.241 0.000 0.656 1352 V HN 0.413 nan 8.190 nan 0.000 0.455 1353 Y N 1.633 121.707 120.300 -0.377 0.000 2.165 1353 Y HA -0.212 4.338 4.550 -0.000 0.000 0.286 1353 Y C 2.366 178.172 175.900 -0.157 0.000 1.155 1353 Y CA 1.985 59.878 58.100 -0.345 0.000 1.164 1353 Y CB -0.249 37.967 38.460 -0.407 0.000 0.978 1353 Y HN 0.269 nan 8.280 nan 0.000 0.513 1354 N N 0.086 118.863 118.700 0.129 0.000 2.571 1354 N HA -0.070 4.670 4.740 -0.000 0.000 0.189 1354 N C 1.250 176.741 175.510 -0.032 0.000 1.154 1354 N CA 0.959 54.060 53.050 0.085 0.000 0.907 1354 N CB 0.417 38.990 38.487 0.144 0.000 0.977 1354 N HN 0.314 nan 8.380 nan 0.000 0.449 1355 V N 0.084 119.942 119.914 -0.093 0.000 3.085 1355 V HA 0.097 4.217 4.120 -0.000 0.000 0.245 1355 V C 1.932 177.949 176.094 -0.128 0.000 1.114 1355 V CA 0.550 62.793 62.300 -0.095 0.000 1.108 1355 V CB 0.238 32.001 31.823 -0.100 0.000 0.798 1355 V HN 0.155 nan 8.190 nan 0.000 0.471 1356 I N 0.531 120.981 120.570 -0.200 0.000 3.228 1356 I HA 0.132 4.302 4.170 -0.000 0.000 0.279 1356 I C 2.295 178.267 176.117 -0.242 0.000 1.221 1356 I CA 1.000 62.171 61.300 -0.215 0.000 1.458 1356 I CB -0.170 37.675 38.000 -0.258 0.000 1.105 1356 I HN 0.228 nan 8.210 nan 0.000 0.445 1357 A N 0.743 123.362 122.820 -0.335 0.000 2.218 1357 A HA -0.024 4.296 4.320 -0.000 0.000 0.209 1357 A C 2.361 179.872 177.584 -0.122 0.000 1.168 1357 A CA 0.958 52.815 52.037 -0.301 0.000 0.804 1357 A CB -0.371 18.304 19.000 -0.543 0.000 0.834 1357 A HN 0.441 nan 8.150 nan 0.000 0.482 1358 S N -0.015 115.630 115.700 -0.093 0.000 2.368 1358 S HA -0.148 4.322 4.470 -0.000 0.000 0.224 1358 S C 1.284 175.863 174.600 -0.034 0.000 1.029 1358 S CA 1.285 59.461 58.200 -0.040 0.000 0.988 1358 S CB -0.444 62.738 63.200 -0.031 0.000 0.838 1358 S HN 0.488 nan 8.310 nan 0.000 0.462 1359 D N 1.240 121.610 120.400 -0.048 0.000 2.363 1359 D HA 0.170 4.809 4.640 -0.000 0.000 0.226 1359 D C 1.524 177.809 176.300 -0.025 0.000 1.020 1359 D CA 0.870 54.849 54.000 -0.034 0.000 0.892 1359 D CB 0.058 40.834 40.800 -0.041 0.000 0.900 1359 D HN 0.661 nan 8.370 nan 0.000 0.531 1360 G N 0.423 109.204 108.800 -0.031 0.000 2.363 1360 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.238 1360 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.238 1360 G C 0.817 175.712 174.900 -0.009 0.000 1.062 1360 G CA 0.407 45.498 45.100 -0.015 0.000 0.629 1360 G HN 0.387 nan 8.290 nan 0.000 0.514 1361 S N -0.429 115.261 115.700 -0.017 0.000 2.740 1361 S HA 0.287 4.756 4.470 -0.000 0.000 0.257 1361 S C -0.168 174.463 174.600 0.052 0.000 1.436 1361 S CA 1.179 59.383 58.200 0.006 0.000 1.000 1361 S CB 0.396 63.574 63.200 -0.037 0.000 0.855 1361 S HN 1.358 nan 8.310 nan 0.000 0.525 1362 Y N -0.654 119.609 120.300 -0.062 0.000 2.433 1362 Y HA 0.555 5.105 4.550 -0.000 0.000 0.337 1362 Y C -1.405 174.493 175.900 -0.004 0.000 1.026 1362 Y CA -0.813 57.259 58.100 -0.047 0.000 1.037 1362 Y CB 1.140 39.594 38.460 -0.009 0.000 1.245 1362 Y HN 0.362 nan 8.280 nan 0.000 0.443 1363 V N 5.949 125.361 119.914 -0.837 0.000 2.638 1363 V HA 0.279 4.399 4.120 -0.000 0.000 0.306 1363 V C -0.513 175.128 176.094 -0.754 0.000 1.052 1363 V CA -1.221 60.743 62.300 -0.560 0.000 0.885 1363 V CB 1.891 33.572 31.823 -0.238 0.000 0.999 1363 V HN 0.848 nan 8.190 nan 0.000 0.424 1364 N N 3.096 121.516 118.700 -0.465 0.000 2.400 1364 N HA 0.041 4.781 4.740 -0.000 0.000 0.267 1364 N C 1.111 176.587 175.510 -0.058 0.000 1.208 1364 N CA -0.051 52.857 53.050 -0.237 0.000 0.951 1364 N CB 0.200 38.627 38.487 -0.099 0.000 1.227 1364 N HN 0.772 nan 8.380 nan 0.000 0.488 1365 Y N 5.089 125.390 120.300 0.001 0.000 2.212 1365 Y HA -0.541 4.009 4.550 -0.000 0.000 0.188 1365 Y C 2.204 178.157 175.900 0.088 0.000 1.270 1365 Y CA 3.076 61.274 58.100 0.162 0.000 0.872 1365 Y CB -0.493 38.045 38.460 0.130 0.000 0.674 1365 Y HN 0.702 nan 8.280 nan 0.000 0.578 1366 R N -1.292 119.323 120.500 0.192 0.000 2.227 1366 R HA -0.340 4.000 4.340 -0.000 0.000 0.259 1366 R C 1.787 178.113 176.300 0.043 0.000 1.139 1366 R CA 2.168 58.279 56.100 0.019 0.000 0.969 1366 R CB -1.513 28.673 30.300 -0.191 0.000 0.903 1366 R HN 0.576 nan 8.270 nan 0.000 0.452 1367 H N 0.926 120.055 119.070 0.097 0.000 2.274 1367 H HA -0.041 4.515 4.556 -0.000 0.000 0.296 1367 H C 2.440 177.758 175.328 -0.016 0.000 1.061 1367 H CA 1.992 58.069 56.048 0.049 0.000 1.226 1367 H CB -0.670 29.098 29.762 0.009 0.000 1.370 1367 H HN 0.238 nan 8.280 nan 0.000 0.507 1368 M N 0.331 119.995 119.600 0.107 0.000 2.088 1368 M HA -0.223 4.257 4.480 -0.000 0.000 0.256 1368 M C 2.714 179.014 176.300 -0.000 0.000 1.071 1368 M CA 1.803 57.096 55.300 -0.013 0.000 1.097 1368 M CB -0.641 31.894 32.600 -0.108 0.000 1.315 1368 M HN 0.295 nan 8.290 nan 0.000 0.406 1369 A N 0.724 123.514 122.820 -0.050 0.000 1.873 1369 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 1369 A C 2.143 179.689 177.584 -0.064 0.000 1.193 1369 A CA 2.017 53.939 52.037 -0.191 0.000 0.629 1369 A CB -1.068 17.478 19.000 -0.756 0.000 0.826 1369 A HN 0.462 nan 8.150 nan 0.000 0.447 1370 L N -0.475 120.745 121.223 -0.006 0.000 1.951 1370 L HA -0.226 4.114 4.340 -0.000 0.000 0.222 1370 L C 2.330 179.190 176.870 -0.016 0.000 1.078 1370 L CA 2.679 57.532 54.840 0.021 0.000 0.778 1370 L CB -0.931 41.170 42.059 0.071 0.000 0.893 1370 L HN 0.438 nan 8.230 nan 0.000 0.436 1371 L N -0.806 120.401 121.223 -0.027 0.000 1.997 1371 L HA -0.217 4.123 4.340 -0.000 0.000 0.216 1371 L C 2.539 179.388 176.870 -0.035 0.000 1.074 1371 L CA 2.316 57.122 54.840 -0.056 0.000 0.763 1371 L CB -1.339 40.675 42.059 -0.075 0.000 0.890 1371 L HN 0.236 nan 8.230 nan 0.000 0.434 1372 V N 0.127 120.033 119.914 -0.014 0.000 2.380 1372 V HA -0.332 3.788 4.120 -0.000 0.000 0.251 1372 V C 2.283 178.391 176.094 0.024 0.000 1.063 1372 V CA 2.426 64.738 62.300 0.019 0.000 1.055 1372 V CB -0.604 31.266 31.823 0.079 0.000 0.657 1372 V HN 0.644 nan 8.190 nan 0.000 0.455 1373 D N -0.330 120.072 120.400 0.004 0.000 2.077 1373 D HA -0.122 4.518 4.640 -0.000 0.000 0.196 1373 D C 2.181 178.476 176.300 -0.008 0.000 0.986 1373 D CA 1.896 55.896 54.000 -0.001 0.000 0.829 1373 D CB -0.381 40.409 40.800 -0.017 0.000 0.983 1373 D HN 0.418 nan 8.370 nan 0.000 0.453 1374 V N 1.710 121.606 119.914 -0.029 0.000 2.439 1374 V HA -0.301 3.819 4.120 -0.000 0.000 0.253 1374 V C 2.516 178.605 176.094 -0.008 0.000 1.074 1374 V CA 1.564 63.840 62.300 -0.039 0.000 1.076 1374 V CB -0.585 31.191 31.823 -0.079 0.000 0.664 1374 V HN 0.234 nan 8.190 nan 0.000 0.461 1375 M N -0.625 118.979 119.600 0.007 0.000 2.156 1375 M HA -0.116 4.364 4.480 -0.000 0.000 0.264 1375 M C 2.427 178.764 176.300 0.062 0.000 1.067 1375 M CA 2.209 57.536 55.300 0.046 0.000 1.131 1375 M CB -0.650 31.985 32.600 0.059 0.000 1.368 1375 M HN 0.466 nan 8.290 nan 0.000 0.416 1376 T N 0.132 114.719 114.554 0.055 0.000 2.735 1376 T HA -0.124 4.226 4.350 -0.000 0.000 0.256 1376 T C 1.907 176.635 174.700 0.046 0.000 1.042 1376 T CA 2.418 64.555 62.100 0.062 0.000 1.147 1376 T CB -0.547 68.361 68.868 0.067 0.000 0.865 1376 T HN 0.587 nan 8.240 nan 0.000 0.421 1377 T N 0.831 115.401 114.554 0.027 0.000 2.464 1377 T HA -0.421 3.929 4.350 -0.000 0.000 0.245 1377 T C 1.879 176.595 174.700 0.027 0.000 1.298 1377 T CA 2.709 64.818 62.100 0.015 0.000 1.152 1377 T CB -1.500 67.356 68.868 -0.019 0.000 0.854 1377 T HN 0.501 nan 8.240 nan 0.000 0.428 1378 Q N 2.181 121.997 119.800 0.028 0.000 2.265 1378 Q HA -0.190 4.150 4.340 -0.000 0.000 0.219 1378 Q C 1.912 177.937 176.000 0.041 0.000 1.031 1378 Q CA 3.448 59.274 55.803 0.037 0.000 0.949 1378 Q CB -1.151 27.617 28.738 0.050 0.000 1.022 1378 Q HN 1.091 nan 8.270 nan 0.000 0.419 1379 G N -4.491 104.336 108.800 0.045 0.000 3.617 1379 G HA2 0.103 4.063 3.960 -0.000 0.000 0.217 1379 G HA3 0.103 4.063 3.960 -0.000 0.000 0.217 1379 G C 0.359 175.287 174.900 0.046 0.000 0.967 1379 G CA 0.028 45.155 45.100 0.044 0.000 0.878 1379 G HN 0.764 nan 8.290 nan 0.000 0.439 1380 G N -0.273 108.557 108.800 0.050 0.000 3.341 1380 G HA2 0.513 4.473 3.960 -0.000 0.000 0.186 1380 G HA3 0.513 4.473 3.960 -0.000 0.000 0.186 1380 G C -0.688 174.251 174.900 0.065 0.000 1.430 1380 G CA -0.105 45.025 45.100 0.051 0.000 0.961 1380 G HN 0.574 nan 8.290 nan 0.000 0.767 1381 L N 2.389 123.650 121.223 0.064 0.000 2.732 1381 L HA 0.344 4.684 4.340 -0.000 0.000 0.246 1381 L C -0.193 176.735 176.870 0.096 0.000 1.407 1381 L CA -0.323 54.570 54.840 0.088 0.000 0.861 1381 L CB 1.120 43.221 42.059 0.071 0.000 1.161 1381 L HN 0.243 nan 8.230 nan 0.000 0.510 1382 T N 0.479 115.091 114.554 0.097 0.000 2.792 1382 T HA 0.035 4.385 4.350 -0.000 0.000 0.286 1382 T C 0.737 175.523 174.700 0.145 0.000 0.970 1382 T CA 0.016 62.185 62.100 0.116 0.000 1.187 1382 T CB 0.210 69.148 68.868 0.117 0.000 0.915 1382 T HN 0.541 nan 8.240 nan 0.000 0.529 1383 S N 2.242 118.038 115.700 0.160 0.000 2.580 1383 S HA 0.241 4.711 4.470 -0.000 0.000 0.274 1383 S C 0.505 175.264 174.600 0.264 0.000 1.329 1383 S CA -1.088 57.223 58.200 0.185 0.000 1.036 1383 S CB 0.840 64.142 63.200 0.170 0.000 0.919 1383 S HN 0.440 nan 8.310 nan 0.000 0.515 1384 V N 2.898 122.952 119.914 0.234 0.000 1.984 1384 V HA 0.318 4.438 4.120 -0.000 0.000 0.272 1384 V C 0.696 177.049 176.094 0.432 0.000 1.706 1384 V CA 0.205 62.691 62.300 0.311 0.000 1.644 1384 V CB -1.860 30.000 31.823 0.061 0.000 1.509 1384 V HN 1.109 nan 8.190 nan 0.000 0.511 1385 T N -1.895 112.945 114.554 0.476 0.000 2.853 1385 T HA 0.367 4.716 4.350 -0.000 0.000 0.311 1385 T C 0.821 175.549 174.700 0.047 0.000 1.307 1385 T CA -0.559 61.724 62.100 0.306 0.000 1.019 1385 T CB 1.920 70.914 68.868 0.211 0.000 1.264 1385 T HN 0.256 nan 8.240 nan 0.000 0.497 1386 R N 0.533 120.948 120.500 -0.142 0.000 2.208 1386 R HA -0.297 4.043 4.340 -0.000 0.000 0.262 1386 R C 1.359 177.456 176.300 -0.338 0.000 1.166 1386 R CA 2.446 58.251 56.100 -0.490 0.000 0.987 1386 R CB -0.843 29.068 30.300 -0.648 0.000 0.887 1386 R HN 0.809 nan 8.270 nan 0.000 0.459 1387 H N -0.900 118.105 119.070 -0.108 0.000 2.326 1387 H HA 0.017 4.573 4.556 -0.000 0.000 0.301 1387 H C 1.833 177.130 175.328 -0.052 0.000 1.081 1387 H CA 1.571 57.579 56.048 -0.068 0.000 1.334 1387 H CB -0.510 29.240 29.762 -0.020 0.000 1.385 1387 H HN 0.476 nan 8.280 nan 0.000 0.504 1388 G N 0.455 109.326 108.800 0.118 0.000 2.672 1388 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.200 1388 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.200 1388 G C 1.395 176.339 174.900 0.073 0.000 1.819 1388 G CA 0.426 45.590 45.100 0.107 0.000 0.902 1388 G HN 0.350 nan 8.290 nan 0.000 0.512 1389 F N 2.338 122.343 119.950 0.092 0.000 2.063 1389 F HA -0.289 4.238 4.527 -0.000 0.000 0.296 1389 F C 1.437 177.289 175.800 0.087 0.000 1.093 1389 F CA 1.991 60.036 58.000 0.076 0.000 1.229 1389 F CB -1.072 37.964 39.000 0.059 0.000 0.971 1389 F HN 0.244 nan 8.300 nan 0.000 0.491 1390 N N 0.391 118.483 118.700 -1.012 0.000 2.530 1390 N HA -0.029 4.711 4.740 -0.000 0.000 0.216 1390 N C 1.129 176.499 175.510 -0.233 0.000 1.315 1390 N CA 0.504 53.147 53.050 -0.678 0.000 0.858 1390 N CB -0.365 37.664 38.487 -0.763 0.000 1.138 1390 N HN 0.734 nan 8.380 nan 0.000 0.473 1391 R N -2.022 118.420 120.500 -0.097 0.000 2.435 1391 R HA 0.238 4.578 4.340 -0.000 0.000 0.221 1391 R C 0.509 176.813 176.300 0.006 0.000 0.885 1391 R CA -0.060 56.015 56.100 -0.042 0.000 1.018 1391 R CB -0.468 29.820 30.300 -0.019 0.000 1.259 1391 R HN 0.129 nan 8.270 nan 0.000 0.597 1392 S N 1.575 117.302 115.700 0.046 0.000 2.572 1392 S HA -0.049 4.421 4.470 -0.000 0.000 0.262 1392 S C 0.486 175.113 174.600 0.044 0.000 1.375 1392 S CA -0.060 58.175 58.200 0.058 0.000 0.996 1392 S CB 0.220 63.474 63.200 0.090 0.000 0.892 1392 S HN 0.474 nan 8.310 nan 0.000 0.562 1393 N N 0.559 119.284 118.700 0.042 0.000 2.678 1393 N HA -0.044 4.696 4.740 -0.000 0.000 0.199 1393 N C 0.022 175.557 175.510 0.043 0.000 1.353 1393 N CA 0.449 53.520 53.050 0.036 0.000 0.916 1393 N CB -1.216 37.292 38.487 0.036 0.000 1.057 1393 N HN 0.609 nan 8.380 nan 0.000 0.449 1394 T N 0.325 114.910 114.554 0.052 0.000 2.855 1394 T HA 0.219 4.569 4.350 -0.000 0.000 0.322 1394 T C 1.335 176.065 174.700 0.050 0.000 1.088 1394 T CA -0.118 62.017 62.100 0.058 0.000 1.104 1394 T CB 0.643 69.558 68.868 0.078 0.000 0.996 1394 T HN 0.284 nan 8.240 nan 0.000 0.549 1395 G N -0.260 108.575 108.800 0.058 0.000 2.690 1395 G HA2 0.353 4.313 3.960 -0.000 0.000 0.239 1395 G HA3 0.353 4.313 3.960 -0.000 0.000 0.239 1395 G C 1.120 176.052 174.900 0.052 0.000 1.233 1395 G CA -0.269 44.875 45.100 0.073 0.000 0.847 1395 G HN 0.902 nan 8.290 nan 0.000 0.588 1396 A N 0.970 123.818 122.820 0.046 0.000 1.897 1396 A HA 0.035 4.355 4.320 -0.000 0.000 0.215 1396 A C 2.426 179.979 177.584 -0.052 0.000 1.181 1396 A CA 1.015 53.008 52.037 -0.073 0.000 0.620 1396 A CB -0.446 18.384 19.000 -0.283 0.000 0.821 1396 A HN 0.587 nan 8.150 nan 0.000 0.443 1397 L N -1.086 120.177 121.223 0.068 0.000 2.081 1397 L HA -0.266 4.074 4.340 -0.000 0.000 0.212 1397 L C 2.724 179.624 176.870 0.049 0.000 1.080 1397 L CA 2.036 56.933 54.840 0.095 0.000 0.754 1397 L CB -0.289 41.875 42.059 0.176 0.000 0.893 1397 L HN 0.666 nan 8.230 nan 0.000 0.433 1398 M N -0.298 119.334 119.600 0.053 0.000 2.150 1398 M HA -0.225 4.255 4.480 -0.000 0.000 0.260 1398 M C 2.313 178.649 176.300 0.061 0.000 1.088 1398 M CA 1.675 57.009 55.300 0.057 0.000 1.108 1398 M CB -0.248 32.390 32.600 0.064 0.000 1.263 1398 M HN -0.059 nan 8.290 nan 0.000 0.431 1399 R N 0.035 120.569 120.500 0.057 0.000 2.228 1399 R HA -0.270 4.070 4.340 -0.000 0.000 0.259 1399 R C 2.483 178.793 176.300 0.015 0.000 1.183 1399 R CA 1.659 57.789 56.100 0.050 0.000 1.002 1399 R CB -1.612 28.683 30.300 -0.009 0.000 0.879 1399 R HN 0.765 nan 8.270 nan 0.000 0.467 1400 C N 1.030 120.318 119.300 -0.021 0.000 2.411 1400 C HA -0.064 4.396 4.460 -0.000 0.000 0.279 1400 C C 2.022 177.003 174.990 -0.014 0.000 1.288 1400 C CA 0.956 59.940 59.018 -0.057 0.000 1.764 1400 C CB -0.904 26.790 27.740 -0.076 0.000 1.974 1400 C HN 0.491 nan 8.230 nan 0.000 0.498 1401 S N -1.046 114.683 115.700 0.048 0.000 2.849 1401 S HA 0.418 4.888 4.470 -0.000 0.000 0.244 1401 S C -0.402 174.325 174.600 0.213 0.000 1.297 1401 S CA -0.381 57.870 58.200 0.085 0.000 1.241 1401 S CB -0.879 62.362 63.200 0.068 0.000 0.958 1401 S HN 0.836 nan 8.310 nan 0.000 0.489 1402 F N 0.758 120.690 119.950 -0.030 0.000 3.556 1402 F HA 0.262 4.788 4.527 -0.000 0.000 0.439 1402 F C 0.126 175.890 175.800 -0.060 0.000 0.968 1402 F CA -0.945 57.046 58.000 -0.016 0.000 1.448 1402 F CB -0.770 38.244 39.000 0.024 0.000 2.771 1402 F HN 0.398 nan 8.300 nan 0.000 0.735 1403 E N 0.354 120.357 120.200 -0.327 0.000 4.143 1403 E HA -0.242 4.108 4.350 -0.000 0.000 0.169 1403 E C 0.841 177.252 176.600 -0.315 0.000 1.110 1403 E CA 1.470 57.610 56.400 -0.433 0.000 2.567 1403 E CB -0.911 28.297 29.700 -0.821 0.000 1.671 1403 E HN 0.526 nan 8.360 nan 0.000 0.528 1404 E N 1.035 121.042 120.200 -0.321 0.000 2.274 1404 E HA -0.066 4.284 4.350 -0.000 0.000 0.194 1404 E C 1.417 177.899 176.600 -0.195 0.000 0.996 1404 E CA 1.542 57.801 56.400 -0.235 0.000 0.840 1404 E CB -0.267 29.302 29.700 -0.219 0.000 0.772 1404 E HN 0.458 nan 8.360 nan 0.000 0.491 1405 T N 0.994 115.441 114.554 -0.178 0.000 10.909 1405 T HA -0.345 4.005 4.350 -0.000 0.000 0.342 1405 T C 1.745 176.309 174.700 -0.227 0.000 1.535 1405 T CA 2.810 64.811 62.100 -0.166 0.000 1.971 1405 T CB -1.314 67.468 68.868 -0.144 0.000 2.334 1405 T HN 0.082 nan 8.240 nan 0.000 0.558 1406 V N 2.673 122.421 119.914 -0.277 0.000 2.220 1406 V HA -0.227 3.892 4.120 -0.000 0.000 0.246 1406 V C 2.639 178.406 176.094 -0.544 0.000 1.049 1406 V CA 2.767 64.785 62.300 -0.471 0.000 1.003 1406 V CB -0.924 30.602 31.823 -0.494 0.000 0.634 1406 V HN 0.661 nan 8.190 nan 0.000 0.444 1407 E N -0.252 119.744 120.200 -0.341 0.000 2.233 1407 E HA -0.311 4.039 4.350 -0.000 0.000 0.210 1407 E C 2.101 178.635 176.600 -0.111 0.000 1.046 1407 E CA 2.078 58.392 56.400 -0.144 0.000 0.844 1407 E CB -0.416 29.233 29.700 -0.086 0.000 0.741 1407 E HN 0.591 nan 8.360 nan 0.000 0.465 1408 I N 0.815 121.278 120.570 -0.178 0.000 2.202 1408 I HA -0.257 3.913 4.170 -0.000 0.000 0.242 1408 I C 2.470 178.467 176.117 -0.200 0.000 1.091 1408 I CA 0.886 62.087 61.300 -0.166 0.000 1.368 1408 I CB -0.160 37.734 38.000 -0.176 0.000 1.058 1408 I HN 0.092 nan 8.210 nan 0.000 0.410 1409 L N -0.315 120.742 121.223 -0.276 0.000 2.079 1409 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 1409 L C 2.535 179.348 176.870 -0.096 0.000 1.081 1409 L CA 1.526 56.168 54.840 -0.329 0.000 0.752 1409 L CB -0.716 41.156 42.059 -0.312 0.000 0.896 1409 L HN 0.205 nan 8.230 nan 0.000 0.433 1410 F N 0.284 120.208 119.950 -0.043 0.000 2.069 1410 F HA -0.241 4.286 4.527 -0.000 0.000 0.298 1410 F C 2.669 178.513 175.800 0.073 0.000 1.113 1410 F CA 0.657 58.739 58.000 0.137 0.000 1.214 1410 F CB -0.112 38.979 39.000 0.150 0.000 0.978 1410 F HN 0.071 nan 8.300 nan 0.000 0.474 1411 E N 0.441 120.716 120.200 0.126 0.000 2.510 1411 E HA -0.129 4.221 4.350 -0.000 0.000 0.202 1411 E C 1.759 178.287 176.600 -0.120 0.000 1.072 1411 E CA 0.659 57.011 56.400 -0.080 0.000 0.883 1411 E CB -0.063 29.578 29.700 -0.099 0.000 0.818 1411 E HN 0.393 nan 8.360 nan 0.000 0.548 1412 A N -0.155 122.597 122.820 -0.113 0.000 1.887 1412 A HA 0.112 4.432 4.320 -0.000 0.000 0.212 1412 A C 2.357 179.968 177.584 0.044 0.000 1.198 1412 A CA 1.121 53.052 52.037 -0.176 0.000 0.628 1412 A CB -0.588 18.007 19.000 -0.676 0.000 0.847 1412 A HN 0.301 nan 8.150 nan 0.000 0.449 1413 G N -0.303 108.588 108.800 0.151 0.000 2.422 1413 G HA2 0.103 4.063 3.960 -0.000 0.000 0.218 1413 G HA3 0.103 4.063 3.960 -0.000 0.000 0.218 1413 G C 1.667 176.670 174.900 0.171 0.000 1.140 1413 G CA 1.379 46.646 45.100 0.277 0.000 0.775 1413 G HN 0.696 nan 8.290 nan 0.000 0.545 1414 A N 1.051 123.874 122.820 0.005 0.000 1.828 1414 A HA 0.011 4.331 4.320 -0.000 0.000 0.215 1414 A C 2.482 179.854 177.584 -0.354 0.000 1.203 1414 A CA 2.129 53.967 52.037 -0.332 0.000 0.614 1414 A CB -0.765 17.816 19.000 -0.698 0.000 0.844 1414 A HN 0.274 nan 8.150 nan 0.000 0.445 1415 S N -0.417 115.077 115.700 -0.343 0.000 2.660 1415 S HA 0.382 4.852 4.470 -0.000 0.000 0.223 1415 S C 0.905 175.440 174.600 -0.110 0.000 0.963 1415 S CA 0.632 58.640 58.200 -0.320 0.000 0.932 1415 S CB -0.580 62.455 63.200 -0.275 0.000 0.775 1415 S HN 1.577 nan 8.310 nan 0.000 0.531 1416 A N 1.688 124.511 122.820 0.005 0.000 2.364 1416 A HA -0.233 4.087 4.320 -0.000 0.000 0.288 1416 A C 0.393 178.058 177.584 0.136 0.000 1.433 1416 A CA 0.713 52.836 52.037 0.143 0.000 0.757 1416 A CB -1.608 17.484 19.000 0.154 0.000 1.098 1416 A HN 0.640 nan 8.150 nan 0.000 0.380 1417 E N -1.394 118.904 120.200 0.163 0.000 2.416 1417 E HA 0.523 4.872 4.350 -0.000 0.000 0.254 1417 E C -0.078 176.662 176.600 0.234 0.000 1.241 1417 E CA -0.449 56.048 56.400 0.161 0.000 0.969 1417 E CB 0.458 30.243 29.700 0.140 0.000 0.999 1417 E HN 0.613 nan 8.360 nan 0.000 0.481 1418 L N 1.000 122.326 121.223 0.170 0.000 2.408 1418 L HA 0.363 4.703 4.340 -0.000 0.000 0.268 1418 L C -1.548 175.400 176.870 0.130 0.000 0.986 1418 L CA -0.449 54.468 54.840 0.129 0.000 0.820 1418 L CB 2.039 44.140 42.059 0.069 0.000 1.303 1418 L HN 0.396 nan 8.230 nan 0.000 0.411 1419 D N 2.417 122.882 120.400 0.107 0.000 2.408 1419 D HA 0.224 4.864 4.640 -0.000 0.000 0.243 1419 D C 0.161 176.491 176.300 0.050 0.000 1.075 1419 D CA -0.204 53.860 54.000 0.105 0.000 0.832 1419 D CB 1.787 42.691 40.800 0.174 0.000 1.162 1419 D HN 0.588 nan 8.370 nan 0.000 0.515 1420 D N 1.871 122.298 120.400 0.045 0.000 2.133 1420 D HA -0.155 4.485 4.640 -0.000 0.000 0.195 1420 D C 0.897 177.206 176.300 0.014 0.000 0.997 1420 D CA 0.957 54.972 54.000 0.026 0.000 0.840 1420 D CB 0.042 40.858 40.800 0.027 0.000 0.947 1420 D HN 0.546 nan 8.370 nan 0.000 0.452 1421 C N -0.309 119.003 119.300 0.020 0.000 4.588 1421 C HA -0.139 4.321 4.460 -0.000 0.000 0.295 1421 C C 1.373 176.360 174.990 -0.005 0.000 1.316 1421 C CA -0.227 58.795 59.018 0.007 0.000 2.041 1421 C CB -2.511 25.225 27.740 -0.006 0.000 1.224 1421 C HN 0.409 nan 8.230 nan 0.000 0.779 1422 R N 0.213 120.714 120.500 0.002 0.000 2.334 1422 R HA 0.234 4.574 4.340 -0.000 0.000 0.212 1422 R C 1.259 177.554 176.300 -0.008 0.000 0.897 1422 R CA 0.669 56.764 56.100 -0.009 0.000 1.056 1422 R CB 0.432 30.734 30.300 0.003 0.000 1.046 1422 R HN 0.595 nan 8.270 nan 0.000 0.513 1423 G N 0.340 109.142 108.800 0.003 0.000 2.390 1423 G HA2 0.273 4.233 3.960 -0.000 0.000 0.270 1423 G HA3 0.273 4.233 3.960 -0.000 0.000 0.270 1423 G C 1.191 176.085 174.900 -0.010 0.000 1.211 1423 G CA -0.615 44.488 45.100 0.005 0.000 0.842 1423 G HN -0.132 nan 8.290 nan 0.000 0.519 1424 V N 2.764 122.667 119.914 -0.017 0.000 2.218 1424 V HA -0.290 3.830 4.120 -0.000 0.000 0.251 1424 V C 3.000 179.081 176.094 -0.021 0.000 1.057 1424 V CA 2.688 64.970 62.300 -0.030 0.000 1.022 1424 V CB -1.220 30.582 31.823 -0.035 0.000 0.645 1424 V HN 0.715 nan 8.190 nan 0.000 0.451 1425 S N -0.340 115.354 115.700 -0.009 0.000 2.368 1425 S HA -0.284 4.186 4.470 -0.000 0.000 0.226 1425 S C 1.844 176.447 174.600 0.005 0.000 1.044 1425 S CA 1.850 60.050 58.200 0.001 0.000 1.062 1425 S CB -0.569 62.641 63.200 0.018 0.000 0.931 1425 S HN 0.719 nan 8.310 nan 0.000 0.440 1426 E N 2.024 122.232 120.200 0.013 0.000 2.072 1426 E HA -0.233 4.117 4.350 -0.000 0.000 0.218 1426 E C 1.817 178.418 176.600 0.001 0.000 1.051 1426 E CA 1.399 57.809 56.400 0.017 0.000 0.880 1426 E CB -1.102 28.608 29.700 0.017 0.000 0.783 1426 E HN 0.598 nan 8.360 nan 0.000 0.473 1427 N N 0.727 119.419 118.700 -0.013 0.000 2.094 1427 N HA -0.144 4.596 4.740 -0.000 0.000 0.191 1427 N C 2.152 177.648 175.510 -0.023 0.000 1.023 1427 N CA 1.714 54.750 53.050 -0.023 0.000 0.857 1427 N CB -0.292 38.173 38.487 -0.036 0.000 1.013 1427 N HN 0.016 nan 8.380 nan 0.000 0.426 1428 V N 2.254 122.154 119.914 -0.022 0.000 2.282 1428 V HA -0.231 3.888 4.120 -0.000 0.000 0.249 1428 V C 2.308 178.392 176.094 -0.016 0.000 1.057 1428 V CA 1.527 63.813 62.300 -0.023 0.000 1.032 1428 V CB -0.516 31.294 31.823 -0.020 0.000 0.645 1428 V HN 0.271 nan 8.190 nan 0.000 0.447 1429 I N -0.654 119.911 120.570 -0.007 0.000 2.353 1429 I HA -0.175 3.995 4.170 -0.000 0.000 0.248 1429 I C 2.072 178.185 176.117 -0.006 0.000 1.119 1429 I CA 1.416 62.715 61.300 -0.001 0.000 1.417 1429 I CB -0.201 37.807 38.000 0.013 0.000 1.078 1429 I HN 0.254 nan 8.210 nan 0.000 0.421 1430 L N 0.605 121.822 121.223 -0.010 0.000 2.599 1430 L HA 0.145 4.485 4.340 -0.000 0.000 0.230 1430 L C 1.428 178.284 176.870 -0.023 0.000 1.141 1430 L CA 0.398 55.228 54.840 -0.017 0.000 0.877 1430 L CB -0.464 41.584 42.059 -0.019 0.000 1.009 1430 L HN 0.471 nan 8.230 nan 0.000 0.447 1431 G N 0.539 109.324 108.800 -0.025 0.000 2.249 1431 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.273 1431 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.273 1431 G C 0.054 174.935 174.900 -0.033 0.000 1.036 1431 G CA 0.099 45.182 45.100 -0.029 0.000 0.824 1431 G HN 0.483 nan 8.290 nan 0.000 0.504 1432 Q N -1.035 118.745 119.800 -0.034 0.000 2.297 1432 Q HA 0.625 4.965 4.340 -0.000 0.000 0.268 1432 Q C 0.435 176.408 176.000 -0.046 0.000 1.045 1432 Q CA -1.084 54.697 55.803 -0.038 0.000 0.861 1432 Q CB 1.655 30.372 28.738 -0.035 0.000 1.344 1432 Q HN 0.384 nan 8.270 nan 0.000 0.452 1433 M N 1.690 121.259 119.600 -0.052 0.000 2.217 1433 M HA 0.294 4.774 4.480 -0.000 0.000 0.352 1433 M C -0.777 175.478 176.300 -0.076 0.000 1.376 1433 M CA 0.011 55.271 55.300 -0.066 0.000 1.107 1433 M CB 0.436 32.992 32.600 -0.074 0.000 1.723 1433 M HN 0.795 nan 8.290 nan 0.000 0.461 1434 A N 6.788 129.559 122.820 -0.081 0.000 2.293 1434 A HA 0.577 4.897 4.320 -0.000 0.000 0.302 1434 A C -2.420 175.094 177.584 -0.117 0.000 1.119 1434 A CA -1.578 50.408 52.037 -0.085 0.000 0.823 1434 A CB -0.073 18.885 19.000 -0.070 0.000 1.097 1434 A HN 0.654 nan 8.150 nan 0.000 0.491 1435 P HA 0.179 nan 4.420 nan 0.000 0.238 1435 P C -1.118 176.083 177.300 -0.164 0.000 1.679 1435 P CA 1.011 64.015 63.100 -0.160 0.000 1.080 1435 P CB -0.559 31.056 31.700 -0.142 0.000 1.961 1436 I N 0.058 120.525 120.570 -0.172 0.000 2.512 1436 I HA 0.290 4.460 4.170 -0.000 0.000 0.287 1436 I C 1.380 177.397 176.117 -0.167 0.000 1.069 1436 I CA -0.689 60.524 61.300 -0.145 0.000 1.056 1436 I CB 1.886 39.822 38.000 -0.107 0.000 1.229 1436 I HN 0.296 nan 8.210 nan 0.000 0.429 1437 G N 4.416 113.130 108.800 -0.144 0.000 2.690 1437 G HA2 -0.420 3.539 3.960 -0.000 0.000 0.362 1437 G HA3 -0.420 3.539 3.960 -0.000 0.000 0.362 1437 G C 1.062 175.846 174.900 -0.193 0.000 1.132 1437 G CA 1.610 46.644 45.100 -0.111 0.000 0.922 1437 G HN 0.520 nan 8.290 nan 0.000 0.595 1438 T N 1.533 115.993 114.554 -0.158 0.000 2.721 1438 T HA 0.030 4.380 4.350 -0.000 0.000 0.268 1438 T C 1.663 176.044 174.700 -0.532 0.000 1.038 1438 T CA 2.122 64.093 62.100 -0.216 0.000 1.145 1438 T CB -0.540 68.263 68.868 -0.108 0.000 0.858 1438 T HN 1.324 nan 8.240 nan 0.000 0.459 1439 G N -0.188 108.357 108.800 -0.423 0.000 3.727 1439 G HA2 0.545 4.505 3.960 -0.000 0.000 0.301 1439 G HA3 0.545 4.505 3.960 -0.000 0.000 0.301 1439 G C 0.347 174.959 174.900 -0.481 0.000 1.128 1439 G CA 0.123 44.949 45.100 -0.458 0.000 1.545 1439 G HN 0.413 nan 8.290 nan 0.000 0.555 1440 A N 1.102 123.469 122.820 -0.756 0.000 2.603 1440 A HA 0.697 5.017 4.320 -0.000 0.000 0.277 1440 A C -0.027 177.409 177.584 -0.246 0.000 1.158 1440 A CA -0.226 51.537 52.037 -0.456 0.000 0.962 1440 A CB 0.072 18.836 19.000 -0.393 0.000 1.189 1440 A HN 0.915 nan 8.150 nan 0.000 0.552 1441 F N -3.197 116.747 119.950 -0.009 0.000 2.817 1441 F HA 0.684 5.211 4.527 -0.000 0.000 0.317 1441 F C -1.658 174.167 175.800 0.043 0.000 1.168 1441 F CA -1.800 56.239 58.000 0.064 0.000 0.911 1441 F CB 0.284 39.386 39.000 0.170 0.000 1.337 1441 F HN -0.185 nan 8.300 nan 0.000 0.464 1442 D N 1.066 121.702 120.400 0.394 0.000 2.252 1442 D HA 0.626 5.266 4.640 -0.000 0.000 0.245 1442 D C -0.993 175.465 176.300 0.264 0.000 1.009 1442 D CA -0.231 53.921 54.000 0.253 0.000 0.870 1442 D CB 2.873 43.753 40.800 0.133 0.000 1.251 1442 D HN 0.470 nan 8.370 nan 0.000 0.460 1443 V N 1.894 121.929 119.914 0.203 0.000 2.547 1443 V HA 0.622 4.742 4.120 -0.000 0.000 0.299 1443 V C 0.241 176.387 176.094 0.088 0.000 1.040 1443 V CA -0.595 61.789 62.300 0.141 0.000 0.913 1443 V CB 1.519 33.428 31.823 0.144 0.000 0.992 1443 V HN 0.460 nan 8.190 nan 0.000 0.449 1444 M N 4.149 123.786 119.600 0.063 0.000 2.520 1444 M HA 0.609 5.089 4.480 -0.000 0.000 0.283 1444 M C -1.698 174.629 176.300 0.044 0.000 1.237 1444 M CA -0.717 54.613 55.300 0.050 0.000 0.885 1444 M CB 2.495 35.122 32.600 0.046 0.000 1.727 1444 M HN 0.472 nan 8.290 nan 0.000 0.468 1445 I N 0.263 120.858 120.570 0.041 0.000 2.325 1445 I HA 0.308 4.478 4.170 -0.000 0.000 0.291 1445 I C -0.270 175.872 176.117 0.041 0.000 1.019 1445 I CA -0.163 61.164 61.300 0.044 0.000 1.302 1445 I CB 0.000 38.025 38.000 0.040 0.000 1.401 1445 I HN 0.456 nan 8.210 nan 0.000 0.485 1446 D N 5.208 125.637 120.400 0.047 0.000 2.479 1446 D HA 0.068 4.708 4.640 -0.000 0.000 0.218 1446 D C 1.133 177.453 176.300 0.033 0.000 1.131 1446 D CA -0.126 53.895 54.000 0.034 0.000 0.916 1446 D CB 0.600 41.418 40.800 0.030 0.000 1.022 1446 D HN 0.709 nan 8.370 nan 0.000 0.515 1447 E N 3.039 123.254 120.200 0.026 0.000 2.164 1447 E HA -0.314 4.036 4.350 -0.000 0.000 0.206 1447 E C 0.987 177.590 176.600 0.006 0.000 1.032 1447 E CA 1.327 57.740 56.400 0.022 0.000 0.832 1447 E CB 0.288 29.997 29.700 0.014 0.000 0.742 1447 E HN 0.611 nan 8.360 nan 0.000 0.460 1448 E N -0.016 120.177 120.200 -0.010 0.000 2.045 1448 E HA -0.263 4.087 4.350 -0.000 0.000 0.212 1448 E C 2.263 178.813 176.600 -0.083 0.000 1.039 1448 E CA 2.184 58.559 56.400 -0.040 0.000 0.860 1448 E CB -0.339 29.336 29.700 -0.042 0.000 0.776 1448 E HN 0.407 nan 8.360 nan 0.000 0.467 1449 S N 1.442 117.085 115.700 -0.096 0.000 2.370 1449 S HA -0.197 4.273 4.470 -0.000 0.000 0.226 1449 S C 2.024 176.550 174.600 -0.125 0.000 1.033 1449 S CA 1.140 59.192 58.200 -0.247 0.000 1.011 1449 S CB -0.573 62.578 63.200 -0.082 0.000 0.852 1449 S HN 0.214 nan 8.310 nan 0.000 0.457 1450 L N 1.169 122.450 121.223 0.097 0.000 2.661 1450 L HA 0.079 4.419 4.340 -0.000 0.000 0.236 1450 L C 1.646 178.581 176.870 0.108 0.000 1.176 1450 L CA 0.864 55.810 54.840 0.176 0.000 0.836 1450 L CB -0.268 41.855 42.059 0.108 0.000 0.960 1450 L HN 0.265 nan 8.230 nan 0.000 0.455 1451 V N -2.061 117.864 119.914 0.019 0.000 3.219 1451 V HA 0.014 4.134 4.120 -0.000 0.000 0.240 1451 V C 1.883 177.960 176.094 -0.029 0.000 1.222 1451 V CA 0.292 62.596 62.300 0.007 0.000 1.181 1451 V CB 0.111 31.927 31.823 -0.011 0.000 0.941 1451 V HN 0.253 nan 8.190 nan 0.000 0.471 1452 K N -0.013 120.301 120.400 -0.143 0.000 2.616 1452 K HA 0.006 4.326 4.320 -0.000 0.000 0.192 1452 K C -0.469 176.030 176.600 -0.168 0.000 1.031 1452 K CA 0.656 56.827 56.287 -0.194 0.000 1.004 1452 K CB -0.171 32.148 32.500 -0.302 0.000 0.810 1452 K HN 0.519 nan 8.250 nan 0.000 0.497 1453 Y N 1.593 121.895 120.300 0.003 0.000 2.919 1453 Y HA 0.244 4.794 4.550 -0.000 0.000 0.341 1453 Y C -0.450 175.453 175.900 0.005 0.000 1.045 1453 Y CA -1.146 56.956 58.100 0.004 0.000 1.218 1453 Y CB 0.397 38.860 38.460 0.006 0.000 1.137 1453 Y HN 0.001 nan 8.280 nan 0.000 0.577 1454 M N 1.877 121.561 119.600 0.141 0.000 2.497 1454 M HA 0.325 4.805 4.480 -0.000 0.000 0.189 1454 M C -3.243 173.088 176.300 0.051 0.000 0.906 1454 M CA -1.168 54.181 55.300 0.082 0.000 0.749 1454 M CB -0.254 32.387 32.600 0.068 0.000 2.521 1454 M HN 0.120 nan 8.290 nan 0.000 0.410 1455 P HA 0.000 nan 4.420 nan 0.000 0.216 1455 P CA 0.000 63.117 63.100 0.028 0.000 0.800 1455 P CB 0.000 31.716 31.700 0.027 0.000 0.726