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 2vum_1_A DATA FIRST_RESID 2 DATA SEQUENCE VGQQYSSAPL RTVKEVQFGL FSPEEVRAIS VAKIRFPETM DETQTRAKIG DATA SEQUENCE GLNDPRLGSI DRNLKCQTCQ EGMNECPGHF GHIDLAKPVF HVGFIAKIKK DATA SEQUENCE VCECVCMHCG KLLLDEHNEL MRQALAIKDS KKRFAAIWTL CKTKMVCETD DATA SEQUENCE VPSEDDPTQL VSRGGCGNTQ PTIRKDGLKL VGSWKXXXXX XXXDEPELRV DATA SEQUENCE LSTEEILNIF KHISVKDFTS LGFNEVFSRP EWMILTCLPV PPPPVRPSIS DATA SEQUENCE FNESQRGEDD LTFKLADILK ANISLETLEH NGAPHHAIEE AESLLQFHVA DATA SEQUENCE TYMDNDIAGQ PQALQKSGRP VKSIRARLKG KEGRIRGNLM GKRVDFSART DATA SEQUENCE VISGDPNLEL DQVGVPKSIA KTLTYPEVVT PYNIDRLTQL VRNGPNEHPG DATA SEQUENCE AKYVIRDSGD RIDLRYSKRA GDIQLQYGWK VERHIMDNDP VLFNRQPSLH DATA SEQUENCE KMSMMAHRVK VIPYSTFRLN LSVTSPYNAD FDGDEMNLHV PQSEETRAEL DATA SEQUENCE SQLCAVPLQI VSPQSNKPCM GIVQDTLCGI RKLTLRDTFI ELDQVLNMLY DATA SEQUENCE WVPDWDGVIP TPAIIKPKPL WSGKQILSVA IPNGIHLQRF DEGTTLLSPK DATA SEQUENCE DNGMLIIDGQ IIFGVVEKKT VGSSNGGLIH VVTREKGPQV CAKLFGNIQK DATA SEQUENCE VVNFWLLHNG FSTGIGDTIA DGPTMREITE TIAEAKKKVL DVTKEAQANL DATA SEQUENCE LTAKHGMTLR ESFEDNVVRF LNEARDKAGR LAEVNLKDLN NVKQMVMAGS DATA SEQUENCE KGSFINIAQM SACVGQQSVE GKRIAFGFVD RTLPHFSKDD YSPESKGFVE DATA SEQUENCE NSYLRGLTPQ EFFFHAMGGR EGLIDTAVKT AETGYIQRRL VKALEDIMVH DATA SEQUENCE YDNTTRNSLG NVIQFIYGED GMDAAHIEKQ SLDTIGGSDA AFEKRYRVDL DATA SEQUENCE LNTDHTLDPS LLESGSEILG DLKLQVLLDE EYKQLVKDRK FLREVFVDGE DATA SEQUENCE ANWPLPVNIR RIIQNAQQTF HIDHTKPSDL TIKDIVLGVK DLQENLLVLR DATA SEQUENCE GKNEIIQNAQ RDAVTLFCCL LRSRLATRRV LQEYRLTKQA FDWVLSNIEA DATA SEQUENCE QFLRSVVHPG EMVGVLAAQS IGEPATQMTL NTFHXXXXXX XXVTSGVPRL DATA SEQUENCE KEILNVAKNM KTPSLTVYLE PGHAADQEQA KLIRSAIEHT TLKSVTIASE DATA SEQUENCE IYYDPDPRST VIPEDEEIIQ LHFSLXXXXX XXXXXQQSPW LLRLELDRAA DATA SEQUENCE MNDKDLTMGQ VGERIKQTFK NDLFVIWSED NDEKLIIRCR VVXXXXXXXX DATA SEQUENCE XXAEEDHMLK KIENTMLENI TLRGVENIER VVMMKYDRKV PSPTGEYVKE DATA SEQUENCE PEWVLETDGV NLSEVMTVPG IDPTRIYTNS FIDIMEVLGI EAGRAALYKE DATA SEQUENCE VYNVIASDGS YVNYRHMALL VDVMTTQGGL TSVTRHGFNR SNTGALMRCS DATA SEQUENCE FEETVEILFE AGASAELDDC RGVSENVILG QMAPIGTGAF DVMIDEESLV DATA SEQUENCE KYMP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.097 176.094 0.005 0.000 1.182 2 V CA 0.000 62.301 62.300 0.003 0.000 1.235 2 V CB 0.000 31.827 31.823 0.007 0.000 1.184 3 G N 4.275 113.075 108.800 -0.000 0.000 2.784 3 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.204 3 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.204 3 G C 0.119 175.018 174.900 -0.002 0.000 1.300 3 G CA 0.553 45.652 45.100 -0.001 0.000 0.863 3 G HN 1.800 nan 8.290 nan 0.000 0.541 4 Q N -0.216 119.586 119.800 0.003 0.000 3.062 4 Q HA 0.018 4.358 4.340 -0.000 0.000 0.085 4 Q C -0.442 175.566 176.000 0.012 0.000 1.615 4 Q CA 0.850 56.654 55.803 0.003 0.000 0.328 4 Q CB -0.917 27.815 28.738 -0.010 0.000 0.592 4 Q HN 1.365 nan 8.270 nan 0.000 0.321 5 Q N 0.209 120.028 119.800 0.032 0.000 2.057 5 Q HA -0.152 4.188 4.340 -0.000 0.000 0.279 5 Q C -1.037 175.006 176.000 0.071 0.000 0.842 5 Q CA 0.287 56.118 55.803 0.047 0.000 0.524 5 Q CB -0.558 28.189 28.738 0.015 0.000 0.641 5 Q HN 0.593 nan 8.270 nan 0.000 0.321 6 Y N 2.101 122.398 120.300 -0.006 0.000 2.904 6 Y HA 0.149 4.699 4.550 -0.000 0.000 0.336 6 Y C -0.187 175.713 175.900 0.001 0.000 1.263 6 Y CA 1.291 59.390 58.100 -0.002 0.000 1.547 6 Y CB 0.921 39.380 38.460 -0.001 0.000 1.272 6 Y HN 0.383 nan 8.280 nan 0.000 0.596 7 S N 3.962 119.335 115.700 -0.545 0.000 2.498 7 S HA 0.309 4.778 4.470 -0.000 0.000 0.317 7 S C 0.779 174.902 174.600 -0.794 0.000 1.090 7 S CA -0.247 57.595 58.200 -0.595 0.000 1.089 7 S CB 0.544 63.612 63.200 -0.220 0.000 0.997 7 S HN 0.945 nan 8.310 nan 0.000 0.470 8 S N 4.392 119.614 115.700 -0.798 0.000 2.419 8 S HA -0.013 4.457 4.470 -0.000 0.000 0.235 8 S C 1.060 175.603 174.600 -0.094 0.000 1.019 8 S CA 0.619 58.606 58.200 -0.355 0.000 0.982 8 S CB -0.784 62.319 63.200 -0.163 0.000 0.789 8 S HN 1.160 nan 8.310 nan 0.000 0.490 9 A N 4.210 126.964 122.820 -0.110 0.000 2.540 9 A HA 0.418 4.738 4.320 -0.000 0.000 0.239 9 A C -1.365 176.220 177.584 0.001 0.000 1.061 9 A CA -1.109 50.905 52.037 -0.038 0.000 0.758 9 A CB -0.514 18.461 19.000 -0.042 0.000 0.991 9 A HN 0.487 nan 8.150 nan 0.000 0.502 10 P HA 0.138 nan 4.420 nan 0.000 0.266 10 P C -0.684 176.632 177.300 0.027 0.000 1.195 10 P CA -0.194 62.926 63.100 0.033 0.000 0.768 10 P CB 0.512 32.228 31.700 0.027 0.000 0.838 11 L N 4.161 125.406 121.223 0.036 0.000 2.292 11 L HA 0.462 4.801 4.340 -0.000 0.000 0.284 11 L C 0.043 176.927 176.870 0.024 0.000 1.065 11 L CA 0.096 54.954 54.840 0.030 0.000 0.806 11 L CB 0.346 42.428 42.059 0.038 0.000 1.175 11 L HN 0.370 nan 8.230 nan 0.000 0.431 12 R N 2.053 122.563 120.500 0.018 0.000 2.817 12 R HA 0.641 4.981 4.340 -0.000 0.000 0.268 12 R C -1.030 175.277 176.300 0.012 0.000 1.027 12 R CA -0.479 55.630 56.100 0.015 0.000 0.928 12 R CB 2.104 32.411 30.300 0.012 0.000 1.228 12 R HN 0.762 nan 8.270 nan 0.000 0.469 13 T N -2.359 112.201 114.554 0.010 0.000 2.856 13 T HA 0.398 4.748 4.350 -0.000 0.000 0.283 13 T C 0.095 174.796 174.700 0.001 0.000 1.008 13 T CA -0.698 61.406 62.100 0.006 0.000 0.997 13 T CB 1.604 70.477 68.868 0.008 0.000 0.992 13 T HN 0.151 nan 8.240 nan 0.000 0.454 14 V N 3.786 123.699 119.914 -0.003 0.000 2.485 14 V HA 0.148 4.268 4.120 -0.000 0.000 0.287 14 V C 1.191 177.275 176.094 -0.016 0.000 1.022 14 V CA 0.249 62.542 62.300 -0.012 0.000 1.067 14 V CB 0.377 32.191 31.823 -0.014 0.000 0.967 14 V HN 0.945 nan 8.190 nan 0.000 0.479 15 K N 3.511 123.899 120.400 -0.020 0.000 2.374 15 K HA 0.363 4.682 4.320 -0.000 0.000 0.202 15 K C 0.238 176.814 176.600 -0.039 0.000 1.040 15 K CA 0.074 56.349 56.287 -0.021 0.000 1.085 15 K CB 0.982 33.476 32.500 -0.011 0.000 0.873 15 K HN 0.724 nan 8.250 nan 0.000 0.539 16 E N 0.367 120.533 120.200 -0.057 0.000 2.388 16 E HA 0.208 4.558 4.350 -0.000 0.000 0.282 16 E C -1.857 174.663 176.600 -0.132 0.000 1.026 16 E CA -0.500 55.844 56.400 -0.094 0.000 0.820 16 E CB 2.523 32.174 29.700 -0.082 0.000 1.226 16 E HN -0.206 nan 8.360 nan 0.000 0.432 17 V N 2.799 122.583 119.914 -0.216 0.000 2.531 17 V HA 0.388 4.508 4.120 -0.000 0.000 0.301 17 V C -0.613 175.189 176.094 -0.488 0.000 1.034 17 V CA -0.888 61.233 62.300 -0.297 0.000 0.865 17 V CB 1.652 33.285 31.823 -0.316 0.000 0.995 17 V HN 0.529 nan 8.190 nan 0.000 0.424 18 Q N 3.824 123.379 119.800 -0.408 0.000 2.325 18 Q HA 0.558 4.897 4.340 -0.000 0.000 0.262 18 Q C -1.083 174.747 176.000 -0.282 0.000 0.968 18 Q CA -0.163 55.334 55.803 -0.510 0.000 0.877 18 Q CB 1.621 29.939 28.738 -0.700 0.000 1.253 18 Q HN 0.682 nan 8.270 nan 0.000 0.448 19 F N 0.536 120.326 119.950 -0.267 0.000 2.399 19 F HA 0.802 5.329 4.527 -0.000 0.000 0.328 19 F C 1.165 176.887 175.800 -0.131 0.000 1.084 19 F CA -0.654 57.249 58.000 -0.162 0.000 1.053 19 F CB 2.114 41.070 39.000 -0.073 0.000 1.209 19 F HN 0.583 nan 8.300 nan 0.000 0.502 20 G N 1.270 110.159 108.800 0.149 0.000 2.427 20 G HA2 0.515 4.474 3.960 -0.000 0.000 0.306 20 G HA3 0.515 4.474 3.960 -0.000 0.000 0.306 20 G C -2.175 172.797 174.900 0.120 0.000 1.280 20 G CA -0.973 44.220 45.100 0.156 0.000 0.837 20 G HN 0.496 nan 8.290 nan 0.000 0.482 21 L N -0.112 121.207 121.223 0.160 0.000 2.381 21 L HA 0.538 4.878 4.340 -0.000 0.000 0.268 21 L C -0.671 176.139 176.870 -0.100 0.000 0.997 21 L CA -0.767 54.163 54.840 0.150 0.000 0.818 21 L CB 2.306 44.580 42.059 0.358 0.000 1.310 21 L HN 0.461 nan 8.230 nan 0.000 0.416 22 F N 1.506 121.351 119.950 -0.175 0.000 2.578 22 F HA -0.011 4.516 4.527 -0.000 0.000 0.381 22 F C 1.187 176.575 175.800 -0.688 0.000 1.069 22 F CA 0.321 58.115 58.000 -0.342 0.000 1.231 22 F CB 0.836 39.726 39.000 -0.183 0.000 1.086 22 F HN 0.510 nan 8.300 nan 0.000 0.564 23 S N 6.324 121.478 115.700 -0.910 0.000 2.499 23 S HA 0.223 4.693 4.470 -0.000 0.000 0.275 23 S C -1.524 172.885 174.600 -0.318 0.000 1.257 23 S CA -1.328 56.062 58.200 -1.350 0.000 1.050 23 S CB 1.312 63.846 63.200 -1.111 0.000 0.937 23 S HN 0.449 nan 8.310 nan 0.000 0.490 24 P HA -0.236 nan 4.420 nan 0.000 0.217 24 P C 0.910 178.252 177.300 0.071 0.000 1.158 24 P CA 1.627 64.759 63.100 0.053 0.000 0.887 24 P CB 0.060 31.835 31.700 0.125 0.000 0.792 25 E N -0.080 120.171 120.200 0.084 0.000 2.171 25 E HA -0.208 4.142 4.350 -0.000 0.000 0.197 25 E C 2.198 178.840 176.600 0.070 0.000 0.997 25 E CA 1.417 57.870 56.400 0.089 0.000 0.810 25 E CB -0.632 29.131 29.700 0.105 0.000 0.738 25 E HN 0.535 nan 8.360 nan 0.000 0.467 26 E N 0.278 120.507 120.200 0.048 0.000 2.046 26 E HA -0.148 4.202 4.350 -0.000 0.000 0.190 26 E C 1.934 178.620 176.600 0.144 0.000 0.982 26 E CA 1.235 57.681 56.400 0.077 0.000 0.800 26 E CB 0.110 29.828 29.700 0.031 0.000 0.756 26 E HN 0.097 nan 8.360 nan 0.000 0.449 27 V N 1.205 121.219 119.914 0.167 0.000 2.324 27 V HA -0.302 3.817 4.120 -0.000 0.000 0.250 27 V C 2.589 178.707 176.094 0.041 0.000 1.060 27 V CA 2.296 64.608 62.300 0.019 0.000 1.042 27 V CB -0.728 31.024 31.823 -0.118 0.000 0.650 27 V HN 0.260 nan 8.190 nan 0.000 0.450 28 R N -0.055 120.508 120.500 0.105 0.000 2.088 28 R HA -0.201 4.139 4.340 -0.000 0.000 0.232 28 R C 2.473 178.753 176.300 -0.033 0.000 1.136 28 R CA 1.890 58.053 56.100 0.105 0.000 0.926 28 R CB -0.829 29.565 30.300 0.158 0.000 0.837 28 R HN 0.499 nan 8.270 nan 0.000 0.429 29 A N 1.131 123.962 122.820 0.019 0.000 1.882 29 A HA -0.278 4.041 4.320 -0.000 0.000 0.220 29 A C 2.190 179.765 177.584 -0.016 0.000 1.253 29 A CA 2.295 54.336 52.037 0.007 0.000 0.664 29 A CB -1.037 17.981 19.000 0.030 0.000 0.838 29 A HN 0.422 nan 8.150 nan 0.000 0.460 30 I N -0.328 120.248 120.570 0.010 0.000 2.264 30 I HA -0.145 4.025 4.170 -0.000 0.000 0.248 30 I C 1.554 177.662 176.117 -0.015 0.000 1.111 30 I CA 0.757 62.070 61.300 0.021 0.000 1.382 30 I CB -0.513 37.532 38.000 0.076 0.000 1.060 30 I HN 0.323 nan 8.210 nan 0.000 0.418 31 S N 0.599 116.235 115.700 -0.106 0.000 2.552 31 S HA 0.042 4.512 4.470 -0.000 0.000 0.289 31 S C 0.866 175.371 174.600 -0.158 0.000 1.304 31 S CA -0.081 58.007 58.200 -0.186 0.000 1.063 31 S CB 1.002 63.838 63.200 -0.607 0.000 0.848 31 S HN 0.246 nan 8.310 nan 0.000 0.499 32 V N 2.166 122.030 119.914 -0.083 0.000 3.528 32 V HA 0.747 4.867 4.120 -0.000 0.000 0.294 32 V C 0.235 176.299 176.094 -0.050 0.000 1.404 32 V CA 0.335 62.593 62.300 -0.069 0.000 1.065 32 V CB -0.410 31.374 31.823 -0.065 0.000 0.904 32 V HN 0.892 nan 8.190 nan 0.000 0.435 33 A N 0.281 123.076 122.820 -0.041 0.000 2.398 33 A HA 0.832 5.152 4.320 -0.000 0.000 0.301 33 A C 0.288 177.935 177.584 0.106 0.000 1.041 33 A CA -0.583 51.466 52.037 0.020 0.000 0.711 33 A CB 1.933 20.953 19.000 0.034 0.000 1.240 33 A HN 0.047 nan 8.150 nan 0.000 0.420 34 K N 1.201 121.678 120.400 0.129 0.000 2.296 34 K HA 0.228 4.548 4.320 -0.000 0.000 0.200 34 K C 0.409 177.121 176.600 0.187 0.000 1.048 34 K CA 0.226 56.652 56.287 0.231 0.000 0.966 34 K CB -0.440 32.146 32.500 0.143 0.000 0.754 34 K HN 0.749 nan 8.250 nan 0.000 0.466 35 I N 1.898 122.549 120.570 0.135 0.000 4.847 35 I HA -0.415 3.755 4.170 -0.000 0.000 0.126 35 I C 0.654 176.829 176.117 0.097 0.000 1.192 35 I CA 0.329 61.691 61.300 0.104 0.000 2.660 35 I CB -0.455 37.595 38.000 0.083 0.000 1.953 35 I HN 0.258 nan 8.210 nan 0.000 0.325 36 R N 2.794 123.400 120.500 0.176 0.000 2.164 36 R HA 0.234 4.574 4.340 -0.000 0.000 0.198 36 R C 0.377 176.780 176.300 0.172 0.000 1.028 36 R CA 0.340 56.545 56.100 0.175 0.000 1.083 36 R CB 0.205 30.659 30.300 0.256 0.000 1.026 36 R HN 0.205 nan 8.270 nan 0.000 0.514 37 F N 2.310 122.254 119.950 -0.011 0.000 2.418 37 F HA 0.176 4.703 4.527 -0.000 0.000 0.341 37 F C -1.242 174.553 175.800 -0.009 0.000 1.120 37 F CA -2.317 55.678 58.000 -0.008 0.000 1.232 37 F CB 0.650 39.648 39.000 -0.004 0.000 1.175 37 F HN -0.053 nan 8.300 nan 0.000 0.569 38 P HA 0.083 nan 4.420 nan 0.000 0.264 38 P C -0.131 177.223 177.300 0.089 0.000 1.259 38 P CA 0.472 63.610 63.100 0.063 0.000 0.841 38 P CB 0.621 32.326 31.700 0.009 0.000 1.232 39 E N -0.255 120.022 120.200 0.128 0.000 2.869 39 E HA 0.211 4.561 4.350 -0.000 0.000 0.258 39 E C 1.364 178.014 176.600 0.084 0.000 1.354 39 E CA 0.238 56.703 56.400 0.109 0.000 1.065 39 E CB 0.031 29.802 29.700 0.119 0.000 1.215 39 E HN -0.116 nan 8.360 nan 0.000 0.659 40 T N -1.070 113.520 114.554 0.061 0.000 3.115 40 T HA 0.097 4.447 4.350 -0.000 0.000 0.235 40 T C 0.977 175.686 174.700 0.014 0.000 0.999 40 T CA 0.978 63.094 62.100 0.027 0.000 1.276 40 T CB -0.003 68.874 68.868 0.016 0.000 0.967 40 T HN 0.376 nan 8.240 nan 0.000 0.420 41 M N -0.300 119.309 119.600 0.014 0.000 2.222 41 M HA 0.404 4.883 4.480 -0.000 0.000 0.175 41 M C -1.004 175.297 176.300 0.003 0.000 2.011 41 M CA -0.378 54.921 55.300 -0.002 0.000 1.070 41 M CB -0.539 32.056 32.600 -0.009 0.000 1.478 41 M HN -0.243 nan 8.290 nan 0.000 0.620 42 D N 3.966 124.370 120.400 0.008 0.000 8.243 42 D HA -0.140 4.499 4.640 -0.000 0.000 0.131 42 D C -0.573 175.731 176.300 0.007 0.000 1.185 42 D CA 0.789 54.796 54.000 0.011 0.000 0.889 42 D CB -0.058 40.755 40.800 0.022 0.000 1.714 42 D HN 0.524 nan 8.370 nan 0.000 0.978 43 E N 1.066 121.264 120.200 -0.004 0.000 2.860 43 E HA 0.049 4.398 4.350 -0.000 0.000 0.318 43 E C 0.108 176.709 176.600 0.002 0.000 1.481 43 E CA -0.054 56.339 56.400 -0.010 0.000 1.613 43 E CB -0.193 29.496 29.700 -0.020 0.000 1.279 43 E HN 0.317 nan 8.360 nan 0.000 0.489 44 T N 1.031 115.594 114.554 0.014 0.000 4.081 44 T HA -0.210 4.139 4.350 -0.000 0.000 0.364 44 T C 0.466 175.175 174.700 0.014 0.000 0.757 44 T CA 0.762 62.873 62.100 0.018 0.000 2.003 44 T CB -1.475 67.402 68.868 0.016 0.000 1.820 44 T HN 0.714 nan 8.240 nan 0.000 0.875 45 Q N -2.694 117.116 119.800 0.016 0.000 5.138 45 Q HA -0.153 4.187 4.340 -0.000 0.000 0.254 45 Q C 0.302 176.308 176.000 0.010 0.000 1.380 45 Q CA 1.706 57.517 55.803 0.014 0.000 0.811 45 Q CB -1.664 27.081 28.738 0.012 0.000 0.637 45 Q HN 0.693 nan 8.270 nan 0.000 0.991 46 T N 2.816 117.373 114.554 0.006 0.000 2.829 46 T HA 0.195 4.545 4.350 -0.000 0.000 0.293 46 T C 0.132 174.832 174.700 0.000 0.000 0.970 46 T CA 0.120 62.221 62.100 0.001 0.000 1.168 46 T CB 0.324 69.190 68.868 -0.003 0.000 0.911 46 T HN 0.104 nan 8.240 nan 0.000 0.535 47 R N 2.061 122.561 120.500 0.001 0.000 2.389 47 R HA 0.557 4.897 4.340 -0.000 0.000 0.295 47 R C 0.484 176.779 176.300 -0.007 0.000 1.075 47 R CA -0.201 55.898 56.100 -0.001 0.000 1.005 47 R CB 0.652 30.953 30.300 0.002 0.000 0.987 47 R HN 0.815 nan 8.270 nan 0.000 0.452 48 A N 2.699 125.512 122.820 -0.011 0.000 3.289 48 A HA 0.368 4.688 4.320 -0.000 0.000 0.115 48 A C -1.335 176.236 177.584 -0.022 0.000 1.427 48 A CA -0.675 51.351 52.037 -0.018 0.000 2.606 48 A CB 0.926 19.912 19.000 -0.024 0.000 2.953 48 A HN 0.501 nan 8.150 nan 0.000 1.262 49 K N 0.720 121.101 120.400 -0.031 0.000 2.713 49 K HA 0.363 4.683 4.320 -0.000 0.000 0.304 49 K C -1.345 175.222 176.600 -0.055 0.000 1.240 49 K CA -0.222 56.044 56.287 -0.035 0.000 1.080 49 K CB 1.136 33.616 32.500 -0.033 0.000 1.387 49 K HN 0.556 nan 8.250 nan 0.000 0.527 50 I N 1.221 121.752 120.570 -0.065 0.000 3.017 50 I HA -0.172 3.998 4.170 -0.000 0.000 0.310 50 I C 1.780 177.807 176.117 -0.149 0.000 1.220 50 I CA 0.934 62.158 61.300 -0.126 0.000 1.450 50 I CB 0.528 38.436 38.000 -0.154 0.000 1.317 50 I HN 0.869 nan 8.210 nan 0.000 0.570 51 G N 4.856 113.537 108.800 -0.200 0.000 2.615 51 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.213 51 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.213 51 G C 1.246 176.038 174.900 -0.179 0.000 1.135 51 G CA 0.675 45.673 45.100 -0.169 0.000 0.772 51 G HN 0.935 nan 8.290 nan 0.000 0.542 52 G N -0.045 108.613 108.800 -0.236 0.000 2.551 52 G HA2 0.257 4.217 3.960 -0.000 0.000 0.214 52 G HA3 0.257 4.217 3.960 -0.000 0.000 0.214 52 G C 0.614 175.549 174.900 0.058 0.000 1.250 52 G CA 0.225 45.282 45.100 -0.072 0.000 0.825 52 G HN 0.413 nan 8.290 nan 0.000 0.549 53 L N 0.025 121.278 121.223 0.050 0.000 2.335 53 L HA 0.368 4.707 4.340 -0.000 0.000 0.268 53 L C -0.440 176.429 176.870 -0.002 0.000 1.016 53 L CA -0.895 53.966 54.840 0.034 0.000 0.805 53 L CB 1.214 43.299 42.059 0.043 0.000 1.311 53 L HN 0.573 nan 8.230 nan 0.000 0.456 54 N N 1.202 119.892 118.700 -0.017 0.000 1.368 54 N HA -0.256 4.484 4.740 -0.000 0.000 0.392 54 N C -0.232 175.260 175.510 -0.030 0.000 1.170 54 N CA 1.359 54.388 53.050 -0.034 0.000 0.768 54 N CB -0.563 37.892 38.487 -0.053 0.000 0.970 54 N HN 0.783 nan 8.380 nan 0.000 0.550 55 D N -0.770 119.614 120.400 -0.026 0.000 3.027 55 D HA -0.093 4.547 4.640 -0.000 0.000 0.219 55 D C -2.131 174.153 176.300 -0.027 0.000 1.110 55 D CA 0.596 54.583 54.000 -0.022 0.000 0.841 55 D CB -1.152 39.633 40.800 -0.024 0.000 1.096 55 D HN 0.618 nan 8.370 nan 0.000 0.435 56 P HA 0.192 nan 4.420 nan 0.000 0.263 56 P C 0.167 177.449 177.300 -0.030 0.000 1.386 56 P CA 0.613 63.693 63.100 -0.034 0.000 0.797 56 P CB 0.164 31.852 31.700 -0.020 0.000 1.381 57 R N -4.741 115.742 120.500 -0.027 0.000 1.812 57 R HA -0.008 4.332 4.340 -0.000 0.000 0.325 57 R C 0.552 176.842 176.300 -0.017 0.000 0.315 57 R CA -0.106 55.974 56.100 -0.033 0.000 1.365 57 R CB -1.260 29.012 30.300 -0.046 0.000 1.658 57 R HN 0.130 nan 8.270 nan 0.000 0.354 58 L N 0.402 121.629 121.223 0.006 0.000 2.341 58 L HA 0.210 4.550 4.340 -0.000 0.000 0.185 58 L C 1.862 178.781 176.870 0.082 0.000 1.091 58 L CA 0.685 55.557 54.840 0.053 0.000 0.899 58 L CB -0.349 41.714 42.059 0.007 0.000 1.357 58 L HN 0.185 nan 8.230 nan 0.000 0.535 59 G N -0.720 108.129 108.800 0.082 0.000 2.518 59 G HA2 0.298 4.258 3.960 -0.000 0.000 0.284 59 G HA3 0.298 4.258 3.960 -0.000 0.000 0.284 59 G C -0.222 174.687 174.900 0.016 0.000 1.362 59 G CA 0.400 45.536 45.100 0.059 0.000 1.065 59 G HN 0.761 nan 8.290 nan 0.000 0.561 60 S N -2.248 113.449 115.700 -0.003 0.000 2.656 60 S HA 0.705 5.175 4.470 -0.000 0.000 0.273 60 S C -0.425 174.159 174.600 -0.027 0.000 1.168 60 S CA -0.869 57.322 58.200 -0.015 0.000 0.817 60 S CB 1.239 64.435 63.200 -0.006 0.000 1.146 60 S HN 0.565 nan 8.310 nan 0.000 0.475 61 I N -0.287 120.266 120.570 -0.028 0.000 4.030 61 I HA 0.492 4.662 4.170 -0.000 0.000 0.248 61 I C 0.220 176.322 176.117 -0.025 0.000 1.284 61 I CA -0.988 60.293 61.300 -0.032 0.000 1.223 61 I CB 0.290 38.269 38.000 -0.036 0.000 1.446 61 I HN 0.749 nan 8.210 nan 0.000 0.519 62 D N 1.373 121.758 120.400 -0.025 0.000 2.913 62 D HA -0.222 4.417 4.640 -0.000 0.000 0.228 62 D C -0.158 176.132 176.300 -0.016 0.000 1.180 62 D CA 1.038 55.026 54.000 -0.019 0.000 0.761 62 D CB -0.415 40.376 40.800 -0.015 0.000 1.085 62 D HN 0.573 nan 8.370 nan 0.000 0.420 63 R N -1.288 119.201 120.500 -0.017 0.000 3.267 63 R HA -0.182 4.158 4.340 -0.000 0.000 0.254 63 R C -0.769 175.524 176.300 -0.011 0.000 0.993 63 R CA 0.490 56.582 56.100 -0.014 0.000 0.670 63 R CB -1.670 28.623 30.300 -0.012 0.000 1.125 63 R HN 0.170 nan 8.270 nan 0.000 0.434 64 N N 1.088 119.782 118.700 -0.011 0.000 2.573 64 N HA 0.186 4.926 4.740 -0.000 0.000 0.262 64 N C 1.342 176.848 175.510 -0.006 0.000 1.029 64 N CA -0.455 52.590 53.050 -0.009 0.000 0.882 64 N CB 1.101 39.582 38.487 -0.010 0.000 1.204 64 N HN 0.089 nan 8.380 nan 0.000 0.519 65 L N 0.693 121.913 121.223 -0.004 0.000 2.149 65 L HA -0.288 4.051 4.340 -0.000 0.000 0.223 65 L C 0.960 177.831 176.870 0.001 0.000 1.089 65 L CA 1.574 56.414 54.840 -0.001 0.000 0.800 65 L CB -0.440 41.618 42.059 -0.002 0.000 0.897 65 L HN 0.374 nan 8.230 nan 0.000 0.443 66 K N -0.131 120.267 120.400 -0.003 0.000 2.547 66 K HA -0.188 4.132 4.320 -0.000 0.000 0.275 66 K C 0.244 176.845 176.600 0.002 0.000 1.001 66 K CA 1.131 57.415 56.287 -0.005 0.000 1.111 66 K CB 0.176 32.670 32.500 -0.010 0.000 0.832 66 K HN 0.526 nan 8.250 nan 0.000 0.485 67 C N 3.068 122.368 119.300 0.000 0.000 2.767 67 C HA 0.017 4.477 4.460 -0.000 0.000 0.377 67 C C -0.576 174.403 174.990 -0.019 0.000 1.628 67 C CA -0.258 58.769 59.018 0.015 0.000 0.896 67 C CB -1.493 26.281 27.740 0.056 0.000 1.837 67 C HN 1.078 nan 8.230 nan 0.000 0.720 68 Q N 0.464 120.242 119.800 -0.037 0.000 2.470 68 Q HA -0.175 4.165 4.340 -0.000 0.000 0.281 68 Q C 0.874 176.845 176.000 -0.048 0.000 1.260 68 Q CA 0.819 56.586 55.803 -0.060 0.000 0.815 68 Q CB -2.116 26.552 28.738 -0.116 0.000 1.204 68 Q HN 0.962 nan 8.270 nan 0.000 0.444 69 T N -2.717 111.820 114.554 -0.028 0.000 9.351 69 T HA -0.373 3.977 4.350 -0.000 0.000 0.379 69 T C 1.225 175.917 174.700 -0.013 0.000 1.718 69 T CA 1.798 63.886 62.100 -0.019 0.000 2.622 69 T CB -2.079 66.776 68.868 -0.021 0.000 2.809 69 T HN 0.973 nan 8.240 nan 0.000 1.195 70 C N 3.206 122.496 119.300 -0.016 0.000 2.379 70 C HA 0.359 4.819 4.460 -0.000 0.000 0.376 70 C C 1.999 177.003 174.990 0.024 0.000 1.323 70 C CA -0.419 58.601 59.018 0.002 0.000 1.575 70 C CB -2.135 25.607 27.740 0.003 0.000 1.661 70 C HN 0.809 nan 8.230 nan 0.000 0.594 71 Q N 1.175 120.981 119.800 0.010 0.000 2.697 71 Q HA -0.444 3.895 4.340 -0.000 0.000 0.482 71 Q C 0.960 176.971 176.000 0.018 0.000 0.519 71 Q CA 2.378 58.187 55.803 0.011 0.000 0.998 71 Q CB -1.021 27.718 28.738 0.003 0.000 2.072 71 Q HN 0.593 nan 8.270 nan 0.000 1.114 72 E N -1.559 118.647 120.200 0.010 0.000 4.584 72 E HA -0.221 4.129 4.350 -0.000 0.000 0.282 72 E C 0.753 177.354 176.600 0.003 0.000 0.747 72 E CA 2.096 58.500 56.400 0.007 0.000 1.563 72 E CB -2.244 27.465 29.700 0.015 0.000 1.779 72 E HN 1.411 nan 8.360 nan 0.000 0.408 73 G N 1.761 110.564 108.800 0.005 0.000 2.775 73 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.205 73 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.205 73 G C 0.978 175.872 174.900 -0.009 0.000 0.201 73 G CA 1.561 46.659 45.100 -0.002 0.000 1.125 73 G HN 0.305 nan 8.290 nan 0.000 0.534 74 M N 0.240 119.832 119.600 -0.013 0.000 2.439 74 M HA -0.360 4.120 4.480 -0.000 0.000 0.277 74 M C 1.310 177.595 176.300 -0.025 0.000 0.357 74 M CA 2.602 57.889 55.300 -0.023 0.000 0.780 74 M CB -0.983 31.602 32.600 -0.025 0.000 1.802 74 M HN 0.735 nan 8.290 nan 0.000 0.369 75 N N 0.804 119.492 118.700 -0.022 0.000 2.437 75 N HA 0.252 4.992 4.740 -0.000 0.000 0.243 75 N C 0.084 175.583 175.510 -0.018 0.000 1.041 75 N CA 1.027 54.064 53.050 -0.022 0.000 0.940 75 N CB 1.497 39.971 38.487 -0.021 0.000 1.133 75 N HN 0.506 nan 8.380 nan 0.000 0.506 76 E N 1.577 121.765 120.200 -0.020 0.000 3.460 76 E HA -0.150 4.200 4.350 -0.000 0.000 0.303 76 E C -1.010 175.579 176.600 -0.018 0.000 0.502 76 E CA 0.101 56.492 56.400 -0.016 0.000 2.163 76 E CB -1.421 28.273 29.700 -0.010 0.000 1.893 76 E HN 0.433 nan 8.360 nan 0.000 0.631 77 C N 4.907 124.194 119.300 -0.022 0.000 2.227 77 C HA 0.695 5.155 4.460 -0.000 0.000 0.333 77 C C -1.633 173.295 174.990 -0.102 0.000 1.145 77 C CA -1.492 57.505 59.018 -0.035 0.000 1.643 77 C CB -0.547 27.193 27.740 -0.001 0.000 2.185 77 C HN 0.305 nan 8.230 nan 0.000 0.497 78 P HA 0.264 nan 4.420 nan 0.000 0.274 78 P C 0.528 177.653 177.300 -0.292 0.000 1.260 78 P CA 0.308 63.319 63.100 -0.148 0.000 0.793 78 P CB 0.475 32.116 31.700 -0.099 0.000 1.048 79 G N -0.300 108.369 108.800 -0.218 0.000 2.667 79 G HA2 0.158 4.117 3.960 -0.000 0.000 0.250 79 G HA3 0.158 4.117 3.960 -0.000 0.000 0.250 79 G C -0.533 174.124 174.900 -0.405 0.000 1.212 79 G CA -0.159 44.781 45.100 -0.267 0.000 0.874 79 G HN 0.582 nan 8.290 nan 0.000 0.561 80 H N -0.114 118.949 119.070 -0.011 0.000 2.727 80 H HA 0.277 4.832 4.556 -0.000 0.000 0.330 80 H C -0.672 174.664 175.328 0.014 0.000 0.986 80 H CA -0.757 55.321 56.048 0.050 0.000 1.251 80 H CB 1.073 30.847 29.762 0.021 0.000 1.493 80 H HN 0.257 nan 8.280 nan 0.000 0.515 81 F N 1.243 121.257 119.950 0.106 0.000 2.459 81 F HA 0.368 4.895 4.527 -0.000 0.000 0.346 81 F C 1.429 177.238 175.800 0.015 0.000 1.128 81 F CA 0.803 58.827 58.000 0.041 0.000 1.268 81 F CB 0.999 40.008 39.000 0.015 0.000 1.161 81 F HN 0.539 nan 8.300 nan 0.000 0.583 82 G N 0.906 109.789 108.800 0.138 0.000 2.816 82 G HA2 0.628 4.587 3.960 -0.000 0.000 0.288 82 G HA3 0.628 4.587 3.960 -0.000 0.000 0.288 82 G C -1.480 173.526 174.900 0.178 0.000 1.334 82 G CA -0.640 44.517 45.100 0.096 0.000 0.978 82 G HN 0.828 nan 8.290 nan 0.000 0.493 83 H N -2.413 116.670 119.070 0.022 0.000 3.476 83 H HA 0.830 5.385 4.556 -0.000 0.000 0.317 83 H C -1.413 173.905 175.328 -0.017 0.000 1.674 83 H CA -1.206 54.840 56.048 -0.003 0.000 1.247 83 H CB 2.302 32.059 29.762 -0.009 0.000 1.740 83 H HN 0.529 nan 8.280 nan 0.000 0.667 84 I N 1.429 121.853 120.570 -0.244 0.000 2.740 84 I HA -0.001 4.169 4.170 -0.000 0.000 0.275 84 I C -1.613 174.336 176.117 -0.280 0.000 1.453 84 I CA -0.475 60.656 61.300 -0.282 0.000 1.151 84 I CB 1.653 39.574 38.000 -0.132 0.000 1.477 84 I HN 0.669 nan 8.210 nan 0.000 0.428 85 D N 8.651 128.859 120.400 -0.320 0.000 2.349 85 D HA 0.234 4.874 4.640 -0.000 0.000 0.266 85 D C 0.104 176.342 176.300 -0.103 0.000 1.293 85 D CA 0.159 54.050 54.000 -0.183 0.000 0.926 85 D CB 0.857 41.568 40.800 -0.148 0.000 1.090 85 D HN 0.346 nan 8.370 nan 0.000 0.502 86 L N 1.267 122.445 121.223 -0.075 0.000 2.467 86 L HA 0.104 4.443 4.340 -0.000 0.000 0.270 86 L C 1.793 178.643 176.870 -0.033 0.000 1.205 86 L CA -0.566 54.242 54.840 -0.053 0.000 0.828 86 L CB 0.352 42.388 42.059 -0.038 0.000 1.101 86 L HN 0.322 nan 8.230 nan 0.000 0.479 87 A N 2.139 124.943 122.820 -0.028 0.000 1.968 87 A HA 0.040 4.360 4.320 -0.000 0.000 0.217 87 A C 0.727 178.305 177.584 -0.009 0.000 1.169 87 A CA 1.073 53.102 52.037 -0.013 0.000 0.638 87 A CB -0.004 18.988 19.000 -0.013 0.000 0.812 87 A HN 0.748 nan 8.150 nan 0.000 0.446 88 K N -0.228 120.163 120.400 -0.015 0.000 2.523 88 K HA 0.371 4.690 4.320 -0.000 0.000 0.257 88 K C -3.177 173.416 176.600 -0.012 0.000 0.932 88 K CA -2.222 54.057 56.287 -0.012 0.000 0.812 88 K CB 1.977 34.465 32.500 -0.021 0.000 1.326 88 K HN -0.077 nan 8.250 nan 0.000 0.433 89 P HA -0.051 nan 4.420 nan 0.000 0.263 89 P C -0.482 176.817 177.300 -0.001 0.000 1.175 89 P CA 0.020 63.134 63.100 0.023 0.000 0.761 89 P CB 0.483 32.208 31.700 0.042 0.000 0.794 90 V N 3.209 123.147 119.914 0.041 0.000 3.074 90 V HA 0.400 4.520 4.120 -0.000 0.000 0.314 90 V C 0.021 176.247 176.094 0.221 0.000 1.117 90 V CA -0.786 61.529 62.300 0.025 0.000 1.014 90 V CB 1.699 33.528 31.823 0.010 0.000 1.057 90 V HN 0.283 nan 8.190 nan 0.000 0.438 91 F N 1.818 121.775 119.950 0.011 0.000 2.420 91 F HA 0.319 4.846 4.527 -0.000 0.000 0.352 91 F C 0.747 176.556 175.800 0.015 0.000 1.108 91 F CA -0.795 57.220 58.000 0.024 0.000 1.162 91 F CB 0.141 39.156 39.000 0.024 0.000 1.118 91 F HN 0.577 nan 8.300 nan 0.000 0.510 92 H N 4.992 124.134 119.070 0.121 0.000 3.232 92 H HA 0.111 4.667 4.556 -0.000 0.000 0.254 92 H C 1.141 176.383 175.328 -0.143 0.000 1.213 92 H CA -0.038 55.965 56.048 -0.076 0.000 1.503 92 H CB 0.540 30.158 29.762 -0.239 0.000 1.563 92 H HN 0.538 nan 8.280 nan 0.000 0.490 93 V N 4.489 124.249 119.914 -0.256 0.000 2.329 93 V HA -0.395 3.724 4.120 -0.000 0.000 0.265 93 V C 2.364 178.404 176.094 -0.091 0.000 1.119 93 V CA 2.394 64.609 62.300 -0.143 0.000 1.110 93 V CB -1.163 30.543 31.823 -0.195 0.000 0.735 93 V HN 0.799 nan 8.190 nan 0.000 0.455 94 G N -2.587 106.079 108.800 -0.222 0.000 2.838 94 G HA2 0.103 4.063 3.960 -0.000 0.000 0.210 94 G HA3 0.103 4.063 3.960 -0.000 0.000 0.210 94 G C 1.225 176.172 174.900 0.079 0.000 1.153 94 G CA 0.088 45.074 45.100 -0.191 0.000 0.778 94 G HN 0.563 nan 8.290 nan 0.000 0.539 95 F N 0.127 120.046 119.950 -0.053 0.000 2.746 95 F HA 0.294 4.821 4.527 -0.000 0.000 0.297 95 F C 2.176 177.926 175.800 -0.082 0.000 1.113 95 F CA -0.488 57.461 58.000 -0.084 0.000 1.367 95 F CB 0.275 39.206 39.000 -0.115 0.000 1.111 95 F HN 0.030 nan 8.300 nan 0.000 0.590 96 I N 0.626 121.262 120.570 0.110 0.000 2.381 96 I HA -0.379 3.791 4.170 -0.000 0.000 0.255 96 I C 2.612 178.719 176.117 -0.015 0.000 1.140 96 I CA 1.153 62.439 61.300 -0.022 0.000 1.404 96 I CB -0.404 37.642 38.000 0.077 0.000 1.075 96 I HN 0.133 nan 8.210 nan 0.000 0.433 97 A N 0.560 123.402 122.820 0.038 0.000 1.855 97 A HA -0.226 4.094 4.320 -0.000 0.000 0.215 97 A C 2.411 179.988 177.584 -0.012 0.000 1.191 97 A CA 1.649 53.692 52.037 0.011 0.000 0.613 97 A CB -0.443 18.572 19.000 0.025 0.000 0.829 97 A HN 0.283 nan 8.150 nan 0.000 0.442 98 K N -0.299 120.105 120.400 0.007 0.000 2.001 98 K HA -0.062 4.257 4.320 -0.000 0.000 0.208 98 K C 1.864 178.510 176.600 0.077 0.000 1.048 98 K CA 1.486 57.789 56.287 0.026 0.000 0.932 98 K CB -0.379 32.063 32.500 -0.096 0.000 0.715 98 K HN 0.509 nan 8.250 nan 0.000 0.437 99 I N 1.490 122.073 120.570 0.022 0.000 2.229 99 I HA -0.381 3.788 4.170 -0.000 0.000 0.250 99 I C 2.631 178.798 176.117 0.083 0.000 1.096 99 I CA 1.358 62.660 61.300 0.004 0.000 1.358 99 I CB -0.437 37.347 38.000 -0.359 0.000 1.047 99 I HN 0.243 nan 8.210 nan 0.000 0.422 100 K N 1.731 122.136 120.400 0.009 0.000 2.031 100 K HA -0.133 4.186 4.320 -0.000 0.000 0.205 100 K C 2.008 178.660 176.600 0.088 0.000 1.049 100 K CA 1.378 57.693 56.287 0.047 0.000 0.939 100 K CB -0.049 32.462 32.500 0.018 0.000 0.717 100 K HN 0.267 nan 8.250 nan 0.000 0.438 101 K N 0.636 121.052 120.400 0.027 0.000 2.280 101 K HA -0.067 4.253 4.320 -0.000 0.000 0.202 101 K C 2.007 178.717 176.600 0.184 0.000 1.047 101 K CA 0.634 56.887 56.287 -0.056 0.000 0.942 101 K CB 0.087 32.341 32.500 -0.410 0.000 0.739 101 K HN -0.031 nan 8.250 nan 0.000 0.457 102 V N 0.712 120.777 119.914 0.250 0.000 2.270 102 V HA -0.304 3.816 4.120 -0.000 0.000 0.245 102 V C 2.336 178.490 176.094 0.099 0.000 1.043 102 V CA 1.603 64.038 62.300 0.224 0.000 1.014 102 V CB -0.304 31.607 31.823 0.146 0.000 0.645 102 V HN 0.431 nan 8.190 nan 0.000 0.447 103 C N -0.019 119.364 119.300 0.138 0.000 2.413 103 C HA -0.162 4.297 4.460 -0.000 0.000 0.277 103 C C 2.547 177.593 174.990 0.094 0.000 1.265 103 C CA 0.888 59.966 59.018 0.101 0.000 1.752 103 C CB -1.227 26.617 27.740 0.173 0.000 1.998 103 C HN 0.625 nan 8.230 nan 0.000 0.489 104 E N -0.650 119.645 120.200 0.158 0.000 2.267 104 E HA -0.212 4.137 4.350 -0.000 0.000 0.197 104 E C 1.779 178.470 176.600 0.151 0.000 0.998 104 E CA 1.331 57.842 56.400 0.185 0.000 0.830 104 E CB -0.138 29.797 29.700 0.391 0.000 0.751 104 E HN 0.720 nan 8.360 nan 0.000 0.491 105 C N 0.109 119.507 119.300 0.162 0.000 2.912 105 C HA 0.215 4.675 4.460 -0.000 0.000 0.274 105 C C 0.752 175.763 174.990 0.036 0.000 1.248 105 C CA -0.514 58.569 59.018 0.110 0.000 1.694 105 C CB 0.194 28.040 27.740 0.177 0.000 2.024 105 C HN -0.006 nan 8.230 nan 0.000 0.605 106 V N -0.083 119.830 119.914 -0.002 0.000 2.864 106 V HA 0.398 4.518 4.120 -0.000 0.000 0.314 106 V C -0.151 175.922 176.094 -0.035 0.000 1.073 106 V CA -0.765 61.507 62.300 -0.048 0.000 0.956 106 V CB 1.621 33.358 31.823 -0.144 0.000 1.023 106 V HN 0.368 nan 8.190 nan 0.000 0.435 107 C N 5.999 125.282 119.300 -0.029 0.000 2.466 107 C HA 0.631 5.090 4.460 -0.000 0.000 0.379 107 C C 0.418 175.383 174.990 -0.043 0.000 1.251 107 C CA -0.565 58.441 59.018 -0.019 0.000 2.263 107 C CB 0.164 27.908 27.740 0.007 0.000 2.511 107 C HN 0.808 nan 8.230 nan 0.000 0.573 108 M N 4.368 123.902 119.600 -0.109 0.000 2.336 108 M HA 0.376 4.855 4.480 -0.000 0.000 0.256 108 M C 1.118 177.279 176.300 -0.231 0.000 1.176 108 M CA -0.112 55.046 55.300 -0.236 0.000 0.948 108 M CB -0.569 31.771 32.600 -0.432 0.000 1.393 108 M HN 0.903 nan 8.290 nan 0.000 0.528 109 H N -2.358 116.776 119.070 0.105 0.000 4.218 109 H HA -0.219 4.336 4.556 -0.000 0.000 0.175 109 H C 1.339 176.724 175.328 0.094 0.000 0.884 109 H CA 1.599 57.698 56.048 0.085 0.000 1.231 109 H CB -1.766 28.039 29.762 0.072 0.000 1.025 109 H HN 0.852 nan 8.280 nan 0.000 0.371 110 C N -0.866 118.528 119.300 0.157 0.000 2.947 110 C HA 0.604 5.063 4.460 -0.000 0.000 0.337 110 C C 1.745 176.809 174.990 0.123 0.000 2.005 110 C CA 1.652 60.750 59.018 0.133 0.000 2.072 110 C CB 0.814 28.608 27.740 0.090 0.000 1.873 110 C HN 1.364 nan 8.230 nan 0.000 0.682 111 G N 2.311 111.146 108.800 0.058 0.000 2.288 111 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.205 111 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.205 111 G C -0.491 174.396 174.900 -0.021 0.000 1.071 111 G CA 0.521 45.637 45.100 0.026 0.000 0.788 111 G HN 0.935 nan 8.290 nan 0.000 0.491 112 K N -0.482 119.902 120.400 -0.027 0.000 2.433 112 K HA 0.753 5.072 4.320 -0.000 0.000 0.252 112 K C 0.909 177.488 176.600 -0.035 0.000 1.015 112 K CA -1.171 55.090 56.287 -0.043 0.000 0.860 112 K CB 1.429 33.910 32.500 -0.031 0.000 1.359 112 K HN 0.100 nan 8.250 nan 0.000 0.452 113 L N 2.207 123.411 121.223 -0.032 0.000 2.498 113 L HA -0.089 4.251 4.340 -0.000 0.000 0.293 113 L C 0.665 177.534 176.870 -0.002 0.000 1.271 113 L CA 0.496 55.328 54.840 -0.013 0.000 0.831 113 L CB 0.228 42.284 42.059 -0.004 0.000 1.091 113 L HN 0.618 nan 8.230 nan 0.000 0.535 114 L N 3.193 124.417 121.223 0.002 0.000 2.910 114 L HA 0.361 4.701 4.340 -0.000 0.000 0.252 114 L C -0.635 176.237 176.870 0.003 0.000 1.195 114 L CA 0.027 54.867 54.840 0.001 0.000 1.003 114 L CB 0.029 42.084 42.059 -0.006 0.000 1.328 114 L HN 0.384 nan 8.230 nan 0.000 0.540 115 L N -0.082 121.148 121.223 0.011 0.000 2.737 115 L HA 0.363 4.703 4.340 -0.000 0.000 0.261 115 L C -1.295 175.591 176.870 0.027 0.000 0.949 115 L CA -0.412 54.438 54.840 0.018 0.000 0.952 115 L CB 2.371 44.430 42.059 0.001 0.000 1.337 115 L HN -0.053 nan 8.230 nan 0.000 0.430 116 D N 1.289 121.724 120.400 0.057 0.000 2.437 116 D HA 0.188 4.827 4.640 -0.000 0.000 0.259 116 D C 0.696 176.987 176.300 -0.015 0.000 1.118 116 D CA -0.489 53.533 54.000 0.038 0.000 1.017 116 D CB 1.542 42.422 40.800 0.134 0.000 1.120 116 D HN 0.468 nan 8.370 nan 0.000 0.541 117 E N -0.286 119.842 120.200 -0.119 0.000 2.233 117 E HA -0.218 4.131 4.350 -0.000 0.000 0.199 117 E C 1.676 178.198 176.600 -0.129 0.000 1.004 117 E CA 1.239 57.552 56.400 -0.145 0.000 0.819 117 E CB -0.169 29.404 29.700 -0.211 0.000 0.738 117 E HN 0.391 nan 8.360 nan 0.000 0.478 118 H N 0.118 119.183 119.070 -0.009 0.000 2.319 118 H HA -0.088 4.468 4.556 -0.000 0.000 0.297 118 H C 1.037 176.358 175.328 -0.010 0.000 1.097 118 H CA 1.101 57.144 56.048 -0.009 0.000 1.285 118 H CB -0.405 29.351 29.762 -0.010 0.000 1.368 118 H HN 0.112 nan 8.280 nan 0.000 0.495 119 N N 1.572 120.335 118.700 0.104 0.000 2.442 119 N HA -0.076 4.664 4.740 -0.000 0.000 0.265 119 N C 1.198 176.720 175.510 0.020 0.000 1.138 119 N CA 0.187 53.266 53.050 0.048 0.000 0.956 119 N CB 1.438 39.942 38.487 0.029 0.000 1.067 119 N HN 0.406 nan 8.380 nan 0.000 0.474 120 E N 3.976 124.185 120.200 0.014 0.000 2.012 120 E HA -0.185 4.165 4.350 -0.000 0.000 0.197 120 E C 1.606 178.204 176.600 -0.004 0.000 1.007 120 E CA 1.088 57.490 56.400 0.003 0.000 0.816 120 E CB -0.062 29.640 29.700 0.003 0.000 0.762 120 E HN 0.670 nan 8.360 nan 0.000 0.451 121 L N 0.217 121.435 121.223 -0.007 0.000 2.270 121 L HA -0.229 4.111 4.340 -0.000 0.000 0.217 121 L C 2.556 179.418 176.870 -0.013 0.000 1.107 121 L CA 0.845 55.677 54.840 -0.013 0.000 0.772 121 L CB -0.166 41.880 42.059 -0.022 0.000 0.902 121 L HN 0.408 nan 8.230 nan 0.000 0.439 122 M N -0.604 118.990 119.600 -0.009 0.000 2.193 122 M HA -0.105 4.374 4.480 -0.000 0.000 0.265 122 M C 2.211 178.507 176.300 -0.006 0.000 1.071 122 M CA 1.534 56.829 55.300 -0.007 0.000 1.140 122 M CB -0.152 32.446 32.600 -0.003 0.000 1.369 122 M HN -0.010 nan 8.290 nan 0.000 0.423 123 R N -0.339 120.155 120.500 -0.010 0.000 2.115 123 R HA -0.251 4.088 4.340 -0.000 0.000 0.239 123 R C 2.295 178.591 176.300 -0.005 0.000 1.133 123 R CA 2.299 58.391 56.100 -0.013 0.000 0.935 123 R CB -1.039 29.252 30.300 -0.015 0.000 0.853 123 R HN 0.547 nan 8.270 nan 0.000 0.433 124 Q N 0.106 119.903 119.800 -0.004 0.000 2.012 124 Q HA -0.263 4.077 4.340 -0.000 0.000 0.211 124 Q C 2.367 178.370 176.000 0.005 0.000 1.009 124 Q CA 2.084 57.887 55.803 -0.000 0.000 0.866 124 Q CB -0.367 28.369 28.738 -0.002 0.000 0.945 124 Q HN 0.478 nan 8.270 nan 0.000 0.414 125 A N 0.842 123.664 122.820 0.004 0.000 1.892 125 A HA -0.210 4.109 4.320 -0.000 0.000 0.218 125 A C 2.046 179.643 177.584 0.022 0.000 1.188 125 A CA 1.546 53.590 52.037 0.012 0.000 0.631 125 A CB -0.912 18.091 19.000 0.006 0.000 0.822 125 A HN 0.390 nan 8.150 nan 0.000 0.447 126 L N -1.308 119.925 121.223 0.017 0.000 2.450 126 L HA -0.151 4.188 4.340 -0.000 0.000 0.224 126 L C 2.642 179.523 176.870 0.019 0.000 1.149 126 L CA 0.739 55.591 54.840 0.020 0.000 0.816 126 L CB -0.303 41.760 42.059 0.007 0.000 0.932 126 L HN 0.490 nan 8.230 nan 0.000 0.449 127 A N -0.653 122.176 122.820 0.015 0.000 2.169 127 A HA 0.210 4.530 4.320 -0.000 0.000 0.210 127 A C 1.123 178.719 177.584 0.020 0.000 1.168 127 A CA -0.318 51.728 52.037 0.015 0.000 0.813 127 A CB -0.020 18.985 19.000 0.008 0.000 0.861 127 A HN 0.209 nan 8.150 nan 0.000 0.481 128 I N 2.201 122.786 120.570 0.024 0.000 2.818 128 I HA -0.074 4.096 4.170 -0.000 0.000 0.285 128 I C -0.070 176.068 176.117 0.035 0.000 1.160 128 I CA 0.465 61.783 61.300 0.028 0.000 1.370 128 I CB 0.255 38.274 38.000 0.032 0.000 1.440 128 I HN 0.165 nan 8.210 nan 0.000 0.555 129 K N 6.573 126.991 120.400 0.030 0.000 2.220 129 K HA 0.161 4.480 4.320 -0.000 0.000 0.283 129 K C -0.508 176.112 176.600 0.033 0.000 1.098 129 K CA 0.020 56.326 56.287 0.032 0.000 0.928 129 K CB 0.274 32.789 32.500 0.026 0.000 1.214 129 K HN 0.477 nan 8.250 nan 0.000 0.442 130 D N 1.469 121.893 120.400 0.040 0.000 2.369 130 D HA -0.030 4.610 4.640 -0.000 0.000 0.185 130 D C 0.321 176.651 176.300 0.049 0.000 1.253 130 D CA -0.077 53.947 54.000 0.040 0.000 1.107 130 D CB 0.525 41.349 40.800 0.040 0.000 1.588 130 D HN 0.243 nan 8.370 nan 0.000 0.561 131 S N 1.844 117.567 115.700 0.039 0.000 2.443 131 S HA -0.283 4.187 4.470 -0.000 0.000 0.246 131 S C 1.587 176.212 174.600 0.042 0.000 1.058 131 S CA 1.545 59.763 58.200 0.030 0.000 1.028 131 S CB 0.274 63.472 63.200 -0.003 0.000 0.821 131 S HN 0.522 nan 8.310 nan 0.000 0.484 132 K N 0.409 120.842 120.400 0.055 0.000 2.172 132 K HA 0.197 4.517 4.320 -0.000 0.000 0.203 132 K C 2.022 178.698 176.600 0.126 0.000 1.040 132 K CA 0.385 56.725 56.287 0.089 0.000 0.974 132 K CB -0.028 32.505 32.500 0.055 0.000 0.857 132 K HN 0.093 nan 8.250 nan 0.000 0.464 133 K N 1.015 121.466 120.400 0.085 0.000 2.442 133 K HA -0.067 4.252 4.320 -0.000 0.000 0.198 133 K C 2.062 178.708 176.600 0.077 0.000 1.042 133 K CA 0.605 56.936 56.287 0.073 0.000 0.958 133 K CB 0.120 32.651 32.500 0.052 0.000 0.766 133 K HN 0.090 nan 8.250 nan 0.000 0.474 134 R N 0.586 121.146 120.500 0.099 0.000 2.056 134 R HA -0.110 4.230 4.340 -0.000 0.000 0.227 134 R C 2.035 178.417 176.300 0.137 0.000 1.149 134 R CA 1.238 57.400 56.100 0.104 0.000 0.937 134 R CB -0.429 29.939 30.300 0.113 0.000 0.835 134 R HN 0.118 nan 8.270 nan 0.000 0.430 135 F N 1.565 121.545 119.950 0.050 0.000 2.449 135 F HA -0.094 4.432 4.527 -0.000 0.000 0.299 135 F C 1.586 177.450 175.800 0.107 0.000 1.092 135 F CA 0.923 58.966 58.000 0.070 0.000 1.446 135 F CB -0.165 38.846 39.000 0.018 0.000 1.084 135 F HN 0.208 nan 8.300 nan 0.000 0.567 136 A N 0.423 123.227 122.820 -0.027 0.000 1.844 136 A HA 0.185 4.505 4.320 -0.000 0.000 0.212 136 A C 2.471 180.056 177.584 0.002 0.000 1.221 136 A CA 1.112 53.124 52.037 -0.041 0.000 0.607 136 A CB -1.572 17.455 19.000 0.046 0.000 0.878 136 A HN 0.390 nan 8.150 nan 0.000 0.451 137 A N 0.265 123.094 122.820 0.016 0.000 1.917 137 A HA -0.154 4.165 4.320 -0.000 0.000 0.219 137 A C 2.101 179.673 177.584 -0.020 0.000 1.182 137 A CA 1.728 53.767 52.037 0.003 0.000 0.633 137 A CB -0.874 18.132 19.000 0.009 0.000 0.819 137 A HN 0.532 nan 8.150 nan 0.000 0.448 138 I N -2.460 118.103 120.570 -0.012 0.000 2.052 138 I HA -0.328 3.842 4.170 -0.000 0.000 0.235 138 I C 2.430 178.524 176.117 -0.039 0.000 1.046 138 I CA 2.124 63.417 61.300 -0.012 0.000 1.308 138 I CB -0.678 37.343 38.000 0.035 0.000 1.031 138 I HN 0.718 nan 8.210 nan 0.000 0.395 139 W N 2.000 123.135 121.300 -0.275 0.000 2.313 139 W HA -0.255 4.405 4.660 -0.000 0.000 0.293 139 W C 2.408 178.827 176.519 -0.166 0.000 1.216 139 W CA 2.149 59.335 57.345 -0.265 0.000 1.223 139 W CB -0.654 28.537 29.460 -0.448 0.000 1.138 139 W HN 0.011 nan 8.180 nan 0.000 0.535 140 T N 1.134 115.518 114.554 -0.283 0.000 3.007 140 T HA -0.124 4.226 4.350 -0.000 0.000 0.270 140 T C 1.701 176.167 174.700 -0.390 0.000 1.107 140 T CA 1.413 63.239 62.100 -0.456 0.000 1.118 140 T CB -0.119 68.644 68.868 -0.175 0.000 0.889 140 T HN 0.183 nan 8.240 nan 0.000 0.506 141 L N -0.154 120.903 121.223 -0.277 0.000 2.296 141 L HA 0.090 4.430 4.340 -0.000 0.000 0.193 141 L C 2.475 179.218 176.870 -0.212 0.000 1.123 141 L CA 0.491 55.212 54.840 -0.198 0.000 0.805 141 L CB -0.503 41.489 42.059 -0.111 0.000 1.004 141 L HN 0.206 nan 8.230 nan 0.000 0.478 142 C N 0.866 120.063 119.300 -0.172 0.000 2.421 142 C HA -0.114 4.345 4.460 -0.000 0.000 0.296 142 C C 2.387 177.276 174.990 -0.167 0.000 1.470 142 C CA 0.673 59.616 59.018 -0.126 0.000 1.779 142 C CB -1.761 25.949 27.740 -0.049 0.000 1.715 142 C HN 0.505 nan 8.230 nan 0.000 0.564 143 K N 0.772 120.968 120.400 -0.340 0.000 2.486 143 K HA -0.012 4.308 4.320 -0.000 0.000 0.194 143 K C 1.258 177.722 176.600 -0.226 0.000 1.033 143 K CA 1.253 57.337 56.287 -0.339 0.000 1.004 143 K CB -0.293 31.750 32.500 -0.761 0.000 0.798 143 K HN 0.383 nan 8.250 nan 0.000 0.495 144 T N 0.834 115.265 114.554 -0.205 0.000 2.914 144 T HA 0.037 4.387 4.350 -0.000 0.000 0.240 144 T C 0.161 174.805 174.700 -0.093 0.000 1.025 144 T CA 0.222 62.237 62.100 -0.142 0.000 1.198 144 T CB 0.073 68.858 68.868 -0.138 0.000 0.892 144 T HN 0.126 nan 8.240 nan 0.000 0.417 145 K N 1.560 121.912 120.400 -0.081 0.000 2.484 145 K HA 0.158 4.477 4.320 -0.000 0.000 0.280 145 K C -0.248 176.327 176.600 -0.040 0.000 1.013 145 K CA 0.572 56.829 56.287 -0.050 0.000 1.029 145 K CB 0.249 32.725 32.500 -0.040 0.000 0.902 145 K HN 0.289 nan 8.250 nan 0.000 0.481 146 M N 2.523 122.108 119.600 -0.024 0.000 3.181 146 M HA 0.151 4.630 4.480 -0.000 0.000 0.422 146 M C -1.251 175.060 176.300 0.018 0.000 1.481 146 M CA -0.280 55.013 55.300 -0.013 0.000 0.783 146 M CB 1.223 33.806 32.600 -0.029 0.000 1.437 146 M HN 0.070 nan 8.290 nan 0.000 0.505 147 V N 0.333 120.258 119.914 0.018 0.000 2.419 147 V HA 0.154 4.273 4.120 -0.000 0.000 0.287 147 V C -0.128 175.983 176.094 0.028 0.000 1.017 147 V CA -1.031 61.289 62.300 0.032 0.000 0.844 147 V CB 1.738 33.574 31.823 0.022 0.000 1.011 147 V HN 0.540 nan 8.190 nan 0.000 0.429 148 C N 5.834 125.160 119.300 0.043 0.000 3.461 148 C HA 0.139 4.598 4.460 -0.000 0.000 0.525 148 C C 1.098 176.104 174.990 0.027 0.000 1.028 148 C CA -0.367 58.673 59.018 0.036 0.000 1.068 148 C CB -1.988 25.784 27.740 0.054 0.000 1.402 148 C HN 0.866 nan 8.230 nan 0.000 0.612 149 E N 2.046 122.254 120.200 0.014 0.000 2.558 149 E HA -0.042 4.308 4.350 -0.000 0.000 0.255 149 E C 1.094 177.691 176.600 -0.005 0.000 0.968 149 E CA 0.427 56.828 56.400 0.002 0.000 0.939 149 E CB 0.660 30.355 29.700 -0.008 0.000 0.921 149 E HN 0.610 nan 8.360 nan 0.000 0.477 150 T N 2.451 117.000 114.554 -0.008 0.000 3.060 150 T HA 0.025 4.374 4.350 -0.000 0.000 0.249 150 T C -0.383 174.295 174.700 -0.037 0.000 1.079 150 T CA 0.221 62.312 62.100 -0.015 0.000 1.013 150 T CB 0.225 69.089 68.868 -0.006 0.000 0.975 150 T HN 0.417 nan 8.240 nan 0.000 0.518 151 D N 0.714 121.086 120.400 -0.047 0.000 2.966 151 D HA 0.489 5.129 4.640 -0.000 0.000 0.222 151 D C -1.264 174.989 176.300 -0.078 0.000 1.292 151 D CA -0.260 53.699 54.000 -0.069 0.000 0.907 151 D CB 2.810 43.581 40.800 -0.048 0.000 1.621 151 D HN -0.055 nan 8.370 nan 0.000 0.557 152 V N 1.356 121.197 119.914 -0.121 0.000 3.049 152 V HA 0.422 4.542 4.120 -0.000 0.000 0.309 152 V C -2.440 173.586 176.094 -0.114 0.000 1.148 152 V CA -1.733 60.504 62.300 -0.105 0.000 0.990 152 V CB 2.743 34.503 31.823 -0.105 0.000 1.039 152 V HN 0.396 nan 8.190 nan 0.000 0.430 153 P HA 0.080 nan 4.420 nan 0.000 0.262 153 P C 0.228 177.508 177.300 -0.033 0.000 1.199 153 P CA 0.404 63.478 63.100 -0.043 0.000 0.763 153 P CB 0.712 32.400 31.700 -0.022 0.000 0.790 154 S N 3.136 118.821 115.700 -0.025 0.000 2.647 154 S HA -0.013 4.457 4.470 -0.000 0.000 0.251 154 S C 0.738 175.364 174.600 0.044 0.000 1.320 154 S CA -0.293 57.921 58.200 0.022 0.000 0.968 154 S CB -0.202 63.010 63.200 0.021 0.000 1.005 154 S HN 0.467 nan 8.310 nan 0.000 0.576 155 E N 0.985 121.220 120.200 0.058 0.000 2.303 155 E HA 0.188 4.538 4.350 -0.000 0.000 0.211 155 E C -0.327 176.287 176.600 0.023 0.000 1.223 155 E CA -0.066 56.359 56.400 0.041 0.000 1.344 155 E CB -0.158 29.567 29.700 0.040 0.000 1.299 155 E HN 0.446 nan 8.360 nan 0.000 0.441 156 D N 0.097 120.508 120.400 0.017 0.000 3.029 156 D HA 0.086 4.726 4.640 -0.000 0.000 0.181 156 D C -0.198 176.106 176.300 0.006 0.000 1.356 156 D CA -0.176 53.830 54.000 0.010 0.000 1.532 156 D CB 0.308 41.113 40.800 0.008 0.000 1.204 156 D HN -0.026 nan 8.370 nan 0.000 0.184 157 D N 1.922 122.324 120.400 0.003 0.000 2.217 157 D HA 0.219 4.858 4.640 -0.000 0.000 0.243 157 D C -1.716 174.582 176.300 -0.003 0.000 1.054 157 D CA -1.373 52.627 54.000 -0.000 0.000 0.838 157 D CB 2.450 43.249 40.800 -0.001 0.000 1.162 157 D HN -0.014 nan 8.370 nan 0.000 0.472 158 P HA -0.086 nan 4.420 nan 0.000 0.236 158 P C 1.058 178.352 177.300 -0.009 0.000 1.172 158 P CA 0.555 63.651 63.100 -0.007 0.000 0.759 158 P CB 0.336 32.032 31.700 -0.006 0.000 0.843 159 T N -0.124 114.426 114.554 -0.007 0.000 2.588 159 T HA -0.133 4.216 4.350 -0.000 0.000 0.261 159 T C 1.056 175.750 174.700 -0.010 0.000 1.069 159 T CA 1.202 63.297 62.100 -0.008 0.000 1.172 159 T CB -0.457 68.407 68.868 -0.006 0.000 0.863 159 T HN 0.340 nan 8.240 nan 0.000 0.408 160 Q N 0.391 120.185 119.800 -0.011 0.000 2.317 160 Q HA 0.625 4.965 4.340 -0.000 0.000 0.229 160 Q C -0.797 175.190 176.000 -0.021 0.000 0.984 160 Q CA -0.151 55.644 55.803 -0.014 0.000 0.911 160 Q CB 0.821 29.552 28.738 -0.012 0.000 1.217 160 Q HN 0.364 nan 8.270 nan 0.000 0.501 161 L N 0.631 121.838 121.223 -0.027 0.000 2.381 161 L HA 0.666 5.006 4.340 -0.000 0.000 0.268 161 L C -0.906 175.934 176.870 -0.051 0.000 0.997 161 L CA -1.107 53.708 54.840 -0.042 0.000 0.818 161 L CB 1.904 43.940 42.059 -0.038 0.000 1.310 161 L HN 0.339 nan 8.230 nan 0.000 0.416 162 V N 0.315 120.180 119.914 -0.082 0.000 2.815 162 V HA 0.596 4.716 4.120 -0.000 0.000 0.314 162 V C 0.048 176.069 176.094 -0.121 0.000 1.064 162 V CA -0.618 61.626 62.300 -0.092 0.000 0.952 162 V CB 2.056 33.817 31.823 -0.103 0.000 1.020 162 V HN 0.899 nan 8.190 nan 0.000 0.439 163 S N 3.614 119.263 115.700 -0.086 0.000 2.593 163 S HA 0.879 5.348 4.470 -0.000 0.000 0.297 163 S C -0.377 174.185 174.600 -0.063 0.000 1.112 163 S CA -0.771 57.385 58.200 -0.073 0.000 1.043 163 S CB 2.223 65.400 63.200 -0.039 0.000 1.054 163 S HN 0.949 nan 8.310 nan 0.000 0.516 164 R N 1.046 121.518 120.500 -0.046 0.000 3.515 164 R HA 0.738 5.077 4.340 -0.000 0.000 0.239 164 R C 0.676 176.976 176.300 0.001 0.000 1.336 164 R CA -0.752 55.346 56.100 -0.002 0.000 0.959 164 R CB -0.505 29.807 30.300 0.020 0.000 1.524 164 R HN 0.775 nan 8.270 nan 0.000 0.466 165 G N -0.666 108.141 108.800 0.011 0.000 2.760 165 G HA2 0.325 4.285 3.960 -0.000 0.000 0.236 165 G HA3 0.325 4.285 3.960 -0.000 0.000 0.236 165 G C -0.063 174.840 174.900 0.006 0.000 1.243 165 G CA 0.149 45.252 45.100 0.006 0.000 0.850 165 G HN 0.672 nan 8.290 nan 0.000 0.595 166 G N -2.219 106.587 108.800 0.011 0.000 3.209 166 G HA2 0.575 4.535 3.960 -0.000 0.000 0.236 166 G HA3 0.575 4.535 3.960 -0.000 0.000 0.236 166 G C 0.409 175.328 174.900 0.031 0.000 1.329 166 G CA 0.497 45.607 45.100 0.016 0.000 1.015 166 G HN 2.299 nan 8.290 nan 0.000 0.571 167 C N -1.409 117.911 119.300 0.034 0.000 3.234 167 C HA -0.018 4.442 4.460 -0.000 0.000 0.291 167 C C 1.423 176.453 174.990 0.067 0.000 1.089 167 C CA -0.749 58.300 59.018 0.051 0.000 2.493 167 C CB -2.098 25.683 27.740 0.068 0.000 1.512 167 C HN 1.961 nan 8.230 nan 0.000 0.495 168 G N 2.497 111.329 108.800 0.053 0.000 3.028 168 G HA2 0.075 4.035 3.960 -0.000 0.000 0.205 168 G HA3 0.075 4.035 3.960 -0.000 0.000 0.205 168 G C 0.573 175.527 174.900 0.090 0.000 1.182 168 G CA 0.256 45.391 45.100 0.059 0.000 0.860 168 G HN 1.016 nan 8.290 nan 0.000 0.507 169 N N 1.458 120.231 118.700 0.123 0.000 2.131 169 N HA -0.072 4.668 4.740 -0.000 0.000 0.276 169 N C 0.504 176.137 175.510 0.205 0.000 1.295 169 N CA 0.809 53.967 53.050 0.179 0.000 0.818 169 N CB 0.325 38.998 38.487 0.309 0.000 1.049 169 N HN -0.021 nan 8.380 nan 0.000 0.484 170 T N 3.069 117.751 114.554 0.213 0.000 2.908 170 T HA -0.018 4.331 4.350 -0.000 0.000 0.301 170 T C 0.715 175.588 174.700 0.289 0.000 1.019 170 T CA 0.026 62.255 62.100 0.216 0.000 1.152 170 T CB 0.304 69.305 68.868 0.222 0.000 0.966 170 T HN 0.280 nan 8.240 nan 0.000 0.540 171 Q N 4.523 124.404 119.800 0.135 0.000 2.267 171 Q HA 0.289 4.629 4.340 -0.000 0.000 0.255 171 Q C -2.077 173.837 176.000 -0.144 0.000 0.923 171 Q CA -1.999 53.836 55.803 0.053 0.000 0.925 171 Q CB 0.789 29.532 28.738 0.008 0.000 1.195 171 Q HN 0.444 nan 8.270 nan 0.000 0.417 172 P HA 0.001 nan 4.420 nan 0.000 0.272 172 P C -0.698 176.324 177.300 -0.462 0.000 1.230 172 P CA -0.257 62.287 63.100 -0.927 0.000 0.788 172 P CB 0.709 31.262 31.700 -1.911 0.000 0.949 173 T N 2.807 117.127 114.554 -0.390 0.000 2.733 173 T HA 0.417 4.767 4.350 -0.000 0.000 0.294 173 T C 0.550 175.140 174.700 -0.183 0.000 0.956 173 T CA -0.227 61.753 62.100 -0.200 0.000 0.987 173 T CB -0.242 68.547 68.868 -0.131 0.000 0.920 173 T HN 0.196 nan 8.240 nan 0.000 0.470 174 I N 4.268 124.777 120.570 -0.102 0.000 2.499 174 I HA 0.572 4.742 4.170 -0.000 0.000 0.296 174 I C 0.633 176.751 176.117 0.003 0.000 0.992 174 I CA -0.954 60.315 61.300 -0.051 0.000 1.297 174 I CB 0.962 38.961 38.000 -0.003 0.000 1.410 174 I HN 0.546 nan 8.210 nan 0.000 0.507 175 R N 3.435 123.945 120.500 0.016 0.000 2.808 175 R HA 0.541 4.880 4.340 -0.000 0.000 0.272 175 R C -1.228 175.105 176.300 0.054 0.000 0.995 175 R CA -1.171 54.950 56.100 0.035 0.000 0.917 175 R CB 1.862 32.176 30.300 0.023 0.000 1.217 175 R HN 0.427 nan 8.270 nan 0.000 0.471 176 K N 1.620 122.054 120.400 0.056 0.000 2.234 176 K HA 0.098 4.418 4.320 -0.000 0.000 0.277 176 K C -1.197 175.438 176.600 0.057 0.000 1.038 176 K CA -0.330 55.996 56.287 0.067 0.000 0.888 176 K CB 0.940 33.478 32.500 0.063 0.000 1.091 176 K HN 0.700 nan 8.250 nan 0.000 0.467 177 D N 4.218 124.656 120.400 0.062 0.000 2.389 177 D HA 0.239 4.879 4.640 -0.000 0.000 0.256 177 D C 0.493 176.820 176.300 0.046 0.000 1.239 177 D CA 0.412 54.439 54.000 0.045 0.000 0.925 177 D CB 0.980 41.803 40.800 0.038 0.000 1.145 177 D HN 0.885 nan 8.370 nan 0.000 0.542 178 G N 3.501 112.325 108.800 0.040 0.000 2.596 178 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.304 178 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.304 178 G C 0.615 175.557 174.900 0.070 0.000 1.189 178 G CA 0.477 45.599 45.100 0.036 0.000 0.986 178 G HN 0.558 nan 8.290 nan 0.000 0.548 179 L N 0.779 122.041 121.223 0.065 0.000 2.848 179 L HA 0.430 4.769 4.340 -0.000 0.000 0.240 179 L C 0.469 177.397 176.870 0.097 0.000 1.232 179 L CA 0.128 55.030 54.840 0.104 0.000 1.031 179 L CB -0.100 42.005 42.059 0.078 0.000 1.338 179 L HN 0.245 nan 8.230 nan 0.000 0.509 180 K N 1.126 121.590 120.400 0.108 0.000 2.468 180 K HA 0.585 4.905 4.320 -0.000 0.000 0.252 180 K C -1.100 175.604 176.600 0.173 0.000 0.932 180 K CA -0.580 55.774 56.287 0.111 0.000 0.794 180 K CB 3.096 35.614 32.500 0.029 0.000 1.241 180 K HN -0.001 nan 8.250 nan 0.000 0.428 181 L N 3.240 124.614 121.223 0.253 0.000 2.264 181 L HA 0.502 4.842 4.340 -0.000 0.000 0.289 181 L C -0.667 176.291 176.870 0.147 0.000 1.044 181 L CA -0.918 54.042 54.840 0.200 0.000 0.807 181 L CB 1.277 43.479 42.059 0.240 0.000 1.192 181 L HN 0.296 nan 8.230 nan 0.000 0.425 182 V N 2.003 121.975 119.914 0.095 0.000 2.962 182 V HA 0.894 5.014 4.120 -0.000 0.000 0.313 182 V C 0.197 176.291 176.094 -0.001 0.000 1.099 182 V CA -0.531 61.816 62.300 0.078 0.000 0.971 182 V CB 2.149 34.022 31.823 0.083 0.000 1.028 182 V HN 0.856 nan 8.190 nan 0.000 0.430 183 G N 0.945 109.701 108.800 -0.074 0.000 2.695 183 G HA2 0.705 4.664 3.960 -0.000 0.000 0.290 183 G HA3 0.705 4.664 3.960 -0.000 0.000 0.290 183 G C -1.060 173.620 174.900 -0.366 0.000 1.410 183 G CA -0.239 44.692 45.100 -0.282 0.000 0.844 183 G HN 0.952 nan 8.290 nan 0.000 0.478 184 S N -0.451 115.028 115.700 -0.367 0.000 2.503 184 S HA 0.743 5.212 4.470 -0.000 0.000 0.301 184 S C -1.088 173.397 174.600 -0.191 0.000 1.087 184 S CA -0.805 57.328 58.200 -0.111 0.000 1.042 184 S CB 1.617 64.820 63.200 0.005 0.000 1.043 184 S HN 0.586 nan 8.310 nan 0.000 0.489 185 W N 1.830 123.155 121.300 0.041 0.000 2.532 185 W HA 0.545 5.205 4.660 -0.000 0.000 0.321 185 W C 0.168 176.706 176.519 0.031 0.000 1.037 185 W CA -0.770 56.600 57.345 0.042 0.000 1.220 185 W CB 2.094 31.586 29.460 0.054 0.000 1.361 185 W HN 0.733 nan 8.180 nan 0.000 0.468 196 E N 0.441 120.661 120.200 0.032 0.000 7.677 196 E HA -0.123 4.227 4.350 -0.000 0.000 0.462 196 E C -2.503 174.129 176.600 0.053 0.000 0.444 196 E CA -0.524 55.898 56.400 0.037 0.000 0.787 196 E CB 0.039 29.757 29.700 0.031 0.000 0.972 196 E HN 0.159 nan 8.360 nan 0.000 0.265 197 P HA -0.025 nan 4.420 nan 0.000 0.286 197 P C -0.601 176.768 177.300 0.116 0.000 1.278 197 P CA 0.430 63.588 63.100 0.096 0.000 0.785 197 P CB 0.344 32.096 31.700 0.086 0.000 1.269 198 E N -0.341 119.967 120.200 0.180 0.000 2.378 198 E HA 0.297 4.646 4.350 -0.000 0.000 0.282 198 E C -1.231 175.550 176.600 0.302 0.000 0.910 198 E CA -0.349 56.161 56.400 0.182 0.000 0.816 198 E CB 0.505 30.292 29.700 0.146 0.000 1.359 198 E HN 0.274 nan 8.360 nan 0.000 0.397 199 L N 3.888 125.240 121.223 0.216 0.000 2.292 199 L HA 0.594 4.934 4.340 -0.000 0.000 0.284 199 L C 0.245 177.271 176.870 0.260 0.000 1.065 199 L CA -0.424 54.570 54.840 0.256 0.000 0.806 199 L CB 1.178 43.323 42.059 0.144 0.000 1.175 199 L HN 0.398 nan 8.230 nan 0.000 0.431 200 R N 1.815 122.565 120.500 0.416 0.000 2.651 200 R HA 0.536 4.876 4.340 -0.000 0.000 0.278 200 R C -1.655 174.829 176.300 0.306 0.000 1.010 200 R CA -0.663 55.622 56.100 0.308 0.000 0.896 200 R CB 2.199 32.627 30.300 0.213 0.000 1.211 200 R HN 0.356 nan 8.270 nan 0.000 0.456 201 V N 6.031 126.058 119.914 0.189 0.000 2.322 201 V HA 0.218 4.338 4.120 -0.000 0.000 0.258 201 V C 0.400 176.594 176.094 0.167 0.000 1.074 201 V CA -0.586 61.806 62.300 0.154 0.000 0.909 201 V CB 0.622 32.499 31.823 0.091 0.000 1.090 201 V HN 0.650 nan 8.190 nan 0.000 0.486 202 L N 5.106 126.458 121.223 0.215 0.000 2.700 202 L HA 0.011 4.351 4.340 -0.000 0.000 0.276 202 L C 1.256 178.221 176.870 0.159 0.000 1.200 202 L CA 0.448 55.420 54.840 0.219 0.000 0.951 202 L CB -0.031 42.171 42.059 0.238 0.000 1.226 202 L HN 0.853 nan 8.230 nan 0.000 0.489 203 S N 1.660 117.435 115.700 0.125 0.000 2.617 203 S HA 0.178 4.648 4.470 -0.000 0.000 0.259 203 S C 1.096 175.744 174.600 0.080 0.000 1.301 203 S CA -0.204 58.035 58.200 0.064 0.000 0.984 203 S CB 1.330 64.560 63.200 0.050 0.000 0.954 203 S HN 0.599 nan 8.310 nan 0.000 0.572 204 T N 1.361 115.915 114.554 0.001 0.000 2.735 204 T HA -0.016 4.333 4.350 -0.000 0.000 0.256 204 T C 1.628 176.374 174.700 0.077 0.000 1.042 204 T CA 1.487 63.620 62.100 0.055 0.000 1.147 204 T CB -0.730 68.082 68.868 -0.095 0.000 0.865 204 T HN 0.784 nan 8.240 nan 0.000 0.421 205 E N 1.270 121.492 120.200 0.037 0.000 2.169 205 E HA -0.250 4.099 4.350 -0.000 0.000 0.202 205 E C 2.173 178.802 176.600 0.048 0.000 1.016 205 E CA 1.461 57.883 56.400 0.037 0.000 0.817 205 E CB -0.147 29.567 29.700 0.024 0.000 0.736 205 E HN 0.608 nan 8.360 nan 0.000 0.462 206 E N 0.423 120.664 120.200 0.069 0.000 2.028 206 E HA -0.193 4.156 4.350 -0.000 0.000 0.191 206 E C 2.068 178.732 176.600 0.107 0.000 0.988 206 E CA 0.865 57.318 56.400 0.088 0.000 0.799 206 E CB 0.093 29.862 29.700 0.116 0.000 0.755 206 E HN 0.127 nan 8.360 nan 0.000 0.447 207 I N 1.703 122.351 120.570 0.130 0.000 2.099 207 I HA -0.298 3.872 4.170 -0.000 0.000 0.239 207 I C 2.794 178.964 176.117 0.088 0.000 1.066 207 I CA 1.115 62.500 61.300 0.142 0.000 1.324 207 I CB -1.330 36.718 38.000 0.079 0.000 1.037 207 I HN 0.364 nan 8.210 nan 0.000 0.401 208 L N 1.068 122.272 121.223 -0.031 0.000 1.997 208 L HA -0.325 4.015 4.340 -0.000 0.000 0.216 208 L C 2.549 179.456 176.870 0.061 0.000 1.074 208 L CA 2.143 56.956 54.840 -0.044 0.000 0.763 208 L CB -0.591 41.465 42.059 -0.005 0.000 0.890 208 L HN 0.341 nan 8.230 nan 0.000 0.434 209 N N 0.595 119.313 118.700 0.030 0.000 2.036 209 N HA -0.274 4.466 4.740 -0.000 0.000 0.195 209 N C 1.880 177.341 175.510 -0.081 0.000 1.037 209 N CA 2.592 55.608 53.050 -0.057 0.000 0.855 209 N CB -0.348 38.091 38.487 -0.080 0.000 1.033 209 N HN 0.531 nan 8.380 nan 0.000 0.423 210 I N 0.098 120.697 120.570 0.049 0.000 2.194 210 I HA -0.299 3.871 4.170 -0.000 0.000 0.246 210 I C 1.971 178.192 176.117 0.174 0.000 1.093 210 I CA 1.071 62.430 61.300 0.097 0.000 1.355 210 I CB -0.439 37.658 38.000 0.163 0.000 1.046 210 I HN 0.031 nan 8.210 nan 0.000 0.413 211 F N 1.356 121.295 119.950 -0.018 0.000 2.069 211 F HA -0.215 4.312 4.527 -0.000 0.000 0.298 211 F C 2.526 178.349 175.800 0.038 0.000 1.113 211 F CA 1.452 59.444 58.000 -0.013 0.000 1.214 211 F CB -0.871 38.089 39.000 -0.066 0.000 0.978 211 F HN -0.093 nan 8.300 nan 0.000 0.474 212 K N -0.859 119.675 120.400 0.222 0.000 2.107 212 K HA -0.266 4.053 4.320 -0.000 0.000 0.211 212 K C 1.878 178.633 176.600 0.260 0.000 1.049 212 K CA 1.964 58.363 56.287 0.186 0.000 0.927 212 K CB -0.461 32.117 32.500 0.131 0.000 0.714 212 K HN 0.301 nan 8.250 nan 0.000 0.452 213 H N 0.217 119.324 119.070 0.062 0.000 2.428 213 H HA 0.093 4.649 4.556 -0.000 0.000 0.296 213 H C 0.496 175.783 175.328 -0.068 0.000 1.062 213 H CA 0.255 56.305 56.048 0.003 0.000 1.350 213 H CB -0.363 29.408 29.762 0.015 0.000 1.403 213 H HN 0.080 nan 8.280 nan 0.000 0.533 214 I N 1.950 122.550 120.570 0.050 0.000 2.989 214 I HA -0.174 3.996 4.170 -0.000 0.000 0.311 214 I C 0.965 176.873 176.117 -0.348 0.000 1.221 214 I CA 0.251 61.481 61.300 -0.118 0.000 1.449 214 I CB 0.162 38.090 38.000 -0.121 0.000 1.325 214 I HN 0.207 nan 8.210 nan 0.000 0.557 215 S N 5.575 121.059 115.700 -0.360 0.000 2.568 215 S HA 0.092 4.562 4.470 -0.000 0.000 0.282 215 S C 1.166 175.273 174.600 -0.822 0.000 1.338 215 S CA -0.881 57.046 58.200 -0.456 0.000 1.045 215 S CB 1.439 64.482 63.200 -0.262 0.000 0.873 215 S HN 0.398 nan 8.310 nan 0.000 0.516 216 V N 3.932 123.387 119.914 -0.765 0.000 2.343 216 V HA -0.136 3.984 4.120 -0.000 0.000 0.247 216 V C 2.602 178.486 176.094 -0.350 0.000 1.051 216 V CA 2.253 64.095 62.300 -0.762 0.000 1.036 216 V CB -1.028 30.615 31.823 -0.300 0.000 0.654 216 V HN 0.997 nan 8.190 nan 0.000 0.451 217 K N -0.539 119.728 120.400 -0.222 0.000 2.439 217 K HA -0.130 4.189 4.320 -0.000 0.000 0.197 217 K C 1.583 178.138 176.600 -0.075 0.000 1.041 217 K CA 0.849 57.078 56.287 -0.097 0.000 0.970 217 K CB -0.034 32.420 32.500 -0.076 0.000 0.773 217 K HN 0.492 nan 8.250 nan 0.000 0.479 218 D N -0.314 119.990 120.400 -0.160 0.000 2.216 218 D HA -0.043 4.596 4.640 -0.000 0.000 0.208 218 D C 1.570 177.890 176.300 0.033 0.000 0.960 218 D CA 0.614 54.560 54.000 -0.089 0.000 0.861 218 D CB -0.051 40.656 40.800 -0.154 0.000 0.985 218 D HN 0.165 nan 8.370 nan 0.000 0.493 219 F N 1.544 121.457 119.950 -0.062 0.000 2.027 219 F HA -0.275 4.251 4.527 -0.000 0.000 0.297 219 F C 2.693 178.552 175.800 0.099 0.000 1.129 219 F CA 1.119 59.076 58.000 -0.072 0.000 1.195 219 F CB -0.654 38.299 39.000 -0.078 0.000 0.960 219 F HN -0.067 nan 8.300 nan 0.000 0.485 220 T N -0.744 113.997 114.554 0.311 0.000 2.849 220 T HA -0.188 4.162 4.350 -0.000 0.000 0.270 220 T C 1.987 176.784 174.700 0.162 0.000 1.066 220 T CA 1.461 63.684 62.100 0.205 0.000 1.130 220 T CB -0.341 68.607 68.868 0.133 0.000 0.864 220 T HN 0.193 nan 8.240 nan 0.000 0.481 221 S N 0.644 116.428 115.700 0.139 0.000 2.368 221 S HA 0.087 4.556 4.470 -0.000 0.000 0.225 221 S C 0.991 175.708 174.600 0.195 0.000 1.030 221 S CA 0.671 58.944 58.200 0.123 0.000 0.999 221 S CB -0.228 63.021 63.200 0.082 0.000 0.844 221 S HN 0.385 nan 8.310 nan 0.000 0.459 222 L N 0.185 121.574 121.223 0.276 0.000 2.469 222 L HA 0.380 4.720 4.340 -0.000 0.000 0.253 222 L C 1.433 178.471 176.870 0.280 0.000 1.143 222 L CA -0.532 54.559 54.840 0.418 0.000 0.804 222 L CB -0.018 42.354 42.059 0.522 0.000 1.214 222 L HN 0.214 nan 8.230 nan 0.000 0.476 223 G N 0.394 109.202 108.800 0.014 0.000 3.266 223 G HA2 0.138 4.098 3.960 -0.000 0.000 0.238 223 G HA3 0.138 4.098 3.960 -0.000 0.000 0.238 223 G C -0.309 174.241 174.900 -0.584 0.000 1.076 223 G CA 0.024 44.953 45.100 -0.284 0.000 1.804 223 G HN 0.167 nan 8.290 nan 0.000 0.600 224 F N -0.949 118.953 119.950 -0.081 0.000 2.671 224 F HA 0.568 5.095 4.527 -0.000 0.000 0.373 224 F C 0.268 176.060 175.800 -0.013 0.000 1.122 224 F CA -1.560 56.390 58.000 -0.084 0.000 1.082 224 F CB 1.894 40.808 39.000 -0.143 0.000 1.399 224 F HN 0.052 nan 8.300 nan 0.000 0.509 225 N N -0.090 118.732 118.700 0.203 0.000 2.571 225 N HA 0.088 4.827 4.740 -0.000 0.000 0.286 225 N C 0.226 175.776 175.510 0.067 0.000 1.138 225 N CA -0.192 52.941 53.050 0.138 0.000 0.859 225 N CB 0.996 39.583 38.487 0.167 0.000 1.414 225 N HN 0.692 nan 8.380 nan 0.000 0.529 226 E N 2.152 122.391 120.200 0.066 0.000 2.253 226 E HA -0.207 4.142 4.350 -0.000 0.000 0.202 226 E C 0.279 176.873 176.600 -0.010 0.000 1.014 226 E CA 1.628 58.048 56.400 0.034 0.000 0.823 226 E CB 0.262 30.063 29.700 0.168 0.000 0.736 226 E HN 0.482 nan 8.360 nan 0.000 0.478 227 V N -0.580 119.289 119.914 -0.075 0.000 2.403 227 V HA -0.070 4.050 4.120 -0.000 0.000 0.239 227 V C 1.907 177.960 176.094 -0.067 0.000 1.041 227 V CA 1.327 63.503 62.300 -0.205 0.000 1.051 227 V CB -0.562 30.869 31.823 -0.654 0.000 0.704 227 V HN 0.241 nan 8.190 nan 0.000 0.472 228 F N 1.207 121.263 119.950 0.178 0.000 2.473 228 F HA 0.132 4.658 4.527 -0.000 0.000 0.294 228 F C 0.973 176.947 175.800 0.290 0.000 1.103 228 F CA 0.696 58.796 58.000 0.167 0.000 1.442 228 F CB 0.273 39.328 39.000 0.091 0.000 1.097 228 F HN 0.289 nan 8.300 nan 0.000 0.547 229 S N 0.232 116.232 115.700 0.500 0.000 2.446 229 S HA 0.427 4.897 4.470 -0.000 0.000 0.230 229 S C -0.944 173.782 174.600 0.210 0.000 1.051 229 S CA -1.013 57.491 58.200 0.506 0.000 1.113 229 S CB 0.612 64.016 63.200 0.341 0.000 1.184 229 S HN 0.112 nan 8.310 nan 0.000 0.435 230 R N 2.845 123.173 120.500 -0.288 0.000 2.297 230 R HA 0.387 4.727 4.340 -0.000 0.000 0.308 230 R C -2.136 173.691 176.300 -0.788 0.000 1.029 230 R CA -2.175 53.323 56.100 -1.004 0.000 0.929 230 R CB 0.234 29.493 30.300 -1.736 0.000 1.046 230 R HN 0.249 nan 8.270 nan 0.000 0.461 231 P HA -0.377 nan 4.420 nan 0.000 0.226 231 P C 1.037 178.201 177.300 -0.227 0.000 1.154 231 P CA 1.859 64.352 63.100 -1.012 0.000 0.901 231 P CB 0.113 31.104 31.700 -1.182 0.000 0.788 232 E N -1.500 118.536 120.200 -0.274 0.000 2.085 232 E HA -0.220 4.129 4.350 -0.000 0.000 0.194 232 E C 1.390 177.967 176.600 -0.039 0.000 0.994 232 E CA 1.223 57.537 56.400 -0.143 0.000 0.801 232 E CB -1.348 28.232 29.700 -0.201 0.000 0.743 232 E HN 0.295 nan 8.360 nan 0.000 0.453 233 W N 0.818 122.122 121.300 0.006 0.000 2.662 233 W HA 0.055 4.715 4.660 -0.000 0.000 0.249 233 W C 1.656 178.246 176.519 0.117 0.000 1.251 233 W CA 0.305 57.690 57.345 0.067 0.000 1.277 233 W CB -0.730 28.782 29.460 0.087 0.000 1.140 233 W HN 0.218 nan 8.180 nan 0.000 0.645 234 M N -0.687 119.079 119.600 0.276 0.000 2.659 234 M HA 0.036 4.516 4.480 -0.000 0.000 0.243 234 M C 0.410 176.850 176.300 0.233 0.000 1.111 234 M CA 0.992 56.491 55.300 0.332 0.000 1.070 234 M CB 0.006 32.736 32.600 0.216 0.000 1.525 234 M HN -0.298 nan 8.290 nan 0.000 0.517 235 I N 1.374 122.043 120.570 0.165 0.000 2.433 235 I HA 0.302 4.471 4.170 -0.000 0.000 0.292 235 I C -0.608 175.627 176.117 0.197 0.000 1.001 235 I CA -0.836 60.564 61.300 0.168 0.000 1.119 235 I CB 1.785 39.836 38.000 0.085 0.000 1.289 235 I HN 0.002 nan 8.210 nan 0.000 0.438 236 L N 4.618 125.950 121.223 0.182 0.000 2.307 236 L HA 0.530 4.870 4.340 -0.000 0.000 0.282 236 L C 0.443 177.374 176.870 0.102 0.000 1.051 236 L CA -0.477 54.450 54.840 0.145 0.000 0.804 236 L CB 1.070 43.201 42.059 0.120 0.000 1.197 236 L HN 0.584 nan 8.230 nan 0.000 0.431 237 T N -0.157 114.455 114.554 0.096 0.000 3.053 237 T HA -0.002 4.348 4.350 -0.000 0.000 0.236 237 T C 0.430 175.146 174.700 0.027 0.000 0.996 237 T CA 0.270 62.410 62.100 0.068 0.000 1.185 237 T CB 0.273 69.196 68.868 0.092 0.000 0.892 237 T HN 0.711 nan 8.240 nan 0.000 0.432 238 C N 3.416 122.732 119.300 0.027 0.000 2.281 238 C HA 0.752 5.212 4.460 -0.000 0.000 0.323 238 C C -0.358 174.619 174.990 -0.022 0.000 1.270 238 C CA -1.376 57.633 59.018 -0.015 0.000 1.559 238 C CB -1.248 26.503 27.740 0.018 0.000 2.239 238 C HN 0.418 nan 8.230 nan 0.000 0.488 239 L N 9.674 130.865 121.223 -0.054 0.000 2.313 239 L HA 0.460 4.800 4.340 -0.000 0.000 0.282 239 L C -1.767 175.081 176.870 -0.037 0.000 1.092 239 L CA -1.640 53.166 54.840 -0.056 0.000 0.831 239 L CB 0.923 42.920 42.059 -0.103 0.000 1.159 239 L HN 0.569 nan 8.230 nan 0.000 0.442 240 P HA 0.021 nan 4.420 nan 0.000 0.275 240 P C -0.725 176.662 177.300 0.144 0.000 1.276 240 P CA -0.075 63.014 63.100 -0.020 0.000 0.782 240 P CB 0.705 32.216 31.700 -0.316 0.000 0.851 241 V N 7.768 127.767 119.914 0.141 0.000 2.368 241 V HA 0.194 4.314 4.120 -0.000 0.000 0.266 241 V C -1.513 174.493 176.094 -0.148 0.000 1.045 241 V CA -1.796 60.526 62.300 0.037 0.000 0.899 241 V CB 0.961 32.779 31.823 -0.008 0.000 1.006 241 V HN 0.530 nan 8.190 nan 0.000 0.470 242 P HA 0.288 nan 4.420 nan 0.000 0.275 242 P C -2.715 174.245 177.300 -0.567 0.000 1.227 242 P CA -1.652 60.898 63.100 -0.915 0.000 0.781 242 P CB 1.004 32.482 31.700 -0.370 0.000 0.906 243 P HA 0.246 nan 4.420 nan 0.000 0.278 243 P C -2.098 175.072 177.300 -0.216 0.000 1.258 243 P CA -2.012 60.895 63.100 -0.322 0.000 0.811 243 P CB -0.125 31.404 31.700 -0.286 0.000 1.063 244 P HA -0.222 nan 4.420 nan 0.000 0.224 244 P C -1.275 175.959 177.300 -0.110 0.000 1.153 244 P CA 3.055 66.086 63.100 -0.115 0.000 0.947 244 P CB -2.058 29.589 31.700 -0.089 0.000 0.790 245 P HA -0.109 nan 4.420 nan 0.000 0.222 245 P C 1.342 178.590 177.300 -0.086 0.000 1.142 245 P CA 1.061 64.108 63.100 -0.088 0.000 0.788 245 P CB -0.336 31.313 31.700 -0.085 0.000 0.767 246 V N 0.047 119.897 119.914 -0.107 0.000 2.379 246 V HA -0.082 4.038 4.120 -0.000 0.000 0.243 246 V C 1.578 177.616 176.094 -0.093 0.000 1.035 246 V CA 1.505 63.746 62.300 -0.098 0.000 1.035 246 V CB -0.719 31.025 31.823 -0.133 0.000 0.673 246 V HN 0.191 nan 8.190 nan 0.000 0.457 247 R N 1.345 121.781 120.500 -0.106 0.000 3.026 247 R HA 0.330 4.669 4.340 -0.000 0.000 0.317 247 R C -2.802 173.428 176.300 -0.117 0.000 1.278 247 R CA -1.540 54.497 56.100 -0.106 0.000 1.407 247 R CB -0.186 30.052 30.300 -0.103 0.000 1.368 247 R HN 0.291 nan 8.270 nan 0.000 0.612 248 P HA -0.102 nan 4.420 nan 0.000 0.269 248 P C -0.267 176.960 177.300 -0.123 0.000 1.205 248 P CA 0.416 63.452 63.100 -0.105 0.000 0.780 248 P CB 1.028 32.672 31.700 -0.093 0.000 0.858 249 S N 1.113 116.742 115.700 -0.120 0.000 2.608 249 S HA 0.633 5.103 4.470 -0.000 0.000 0.291 249 S C -0.050 174.466 174.600 -0.140 0.000 1.146 249 S CA -0.900 57.220 58.200 -0.133 0.000 1.043 249 S CB 0.772 63.905 63.200 -0.111 0.000 1.037 249 S HN 0.348 nan 8.310 nan 0.000 0.520 250 I N 2.934 123.396 120.570 -0.180 0.000 2.537 250 I HA 0.222 4.391 4.170 -0.000 0.000 0.276 250 I C 0.167 176.067 176.117 -0.362 0.000 1.063 250 I CA -0.479 60.669 61.300 -0.253 0.000 1.144 250 I CB 1.389 39.214 38.000 -0.292 0.000 1.252 250 I HN 0.809 nan 8.210 nan 0.000 0.480 251 S N 3.902 119.467 115.700 -0.224 0.000 2.580 251 S HA 0.407 4.877 4.470 -0.000 0.000 0.274 251 S C -0.182 174.309 174.600 -0.181 0.000 1.329 251 S CA -0.395 57.730 58.200 -0.124 0.000 1.036 251 S CB 0.619 63.811 63.200 -0.012 0.000 0.919 251 S HN 0.348 nan 8.310 nan 0.000 0.515 252 F N 2.720 122.665 119.950 -0.007 0.000 2.660 252 F HA 0.424 4.951 4.527 -0.000 0.000 0.342 252 F C 1.336 177.134 175.800 -0.004 0.000 1.195 252 F CA -0.646 57.351 58.000 -0.005 0.000 1.300 252 F CB -1.393 37.606 39.000 -0.001 0.000 1.616 252 F HN 0.730 nan 8.300 nan 0.000 0.592 253 N N -0.085 118.678 118.700 0.106 0.000 1.750 253 N HA -0.222 4.518 4.740 -0.000 0.000 0.212 253 N C 1.048 176.587 175.510 0.048 0.000 1.124 253 N CA 1.463 54.552 53.050 0.065 0.000 4.303 253 N CB -0.487 38.044 38.487 0.073 0.000 0.737 253 N HN 0.475 nan 8.380 nan 0.000 0.321 254 E N -1.092 119.146 120.200 0.063 0.000 3.072 254 E HA 0.078 4.428 4.350 -0.000 0.000 0.281 254 E C -0.185 176.446 176.600 0.052 0.000 1.161 254 E CA 0.680 57.106 56.400 0.044 0.000 2.012 254 E CB -0.077 29.640 29.700 0.028 0.000 2.263 254 E HN 0.226 nan 8.360 nan 0.000 1.016 255 S N 1.594 117.323 115.700 0.048 0.000 2.871 255 S HA 0.231 4.701 4.470 -0.000 0.000 0.254 255 S C 0.042 174.671 174.600 0.047 0.000 1.088 255 S CA -0.010 58.214 58.200 0.039 0.000 1.166 255 S CB -0.235 62.978 63.200 0.023 0.000 0.826 255 S HN 0.121 nan 8.310 nan 0.000 0.471 256 Q N 0.308 120.162 119.800 0.090 0.000 2.315 256 Q HA 0.438 4.778 4.340 -0.000 0.000 0.273 256 Q C 0.126 176.249 176.000 0.205 0.000 1.053 256 Q CA -0.977 54.893 55.803 0.111 0.000 0.817 256 Q CB 1.997 30.801 28.738 0.111 0.000 1.326 256 Q HN 0.175 nan 8.270 nan 0.000 0.423 257 R N 1.018 121.620 120.500 0.169 0.000 1.411 257 R HA 0.060 4.399 4.340 -0.000 0.000 0.089 257 R C 0.112 176.568 176.300 0.260 0.000 0.475 257 R CA 1.228 57.440 56.100 0.188 0.000 1.937 257 R CB -0.539 29.857 30.300 0.160 0.000 0.472 257 R HN 0.931 nan 8.270 nan 0.000 0.755 258 G N 1.321 110.304 108.800 0.305 0.000 2.830 258 G HA2 -0.134 3.825 3.960 -0.000 0.000 0.298 258 G HA3 -0.134 3.825 3.960 -0.000 0.000 0.298 258 G C -0.852 174.033 174.900 -0.026 0.000 1.031 258 G CA -0.523 44.679 45.100 0.170 0.000 1.179 258 G HN 0.254 nan 8.290 nan 0.000 0.527 259 E N 0.911 121.057 120.200 -0.091 0.000 2.266 259 E HA 0.319 4.669 4.350 -0.000 0.000 0.268 259 E C -0.083 176.272 176.600 -0.408 0.000 0.879 259 E CA -0.801 55.415 56.400 -0.307 0.000 0.762 259 E CB 2.163 31.557 29.700 -0.509 0.000 1.199 259 E HN 0.544 nan 8.360 nan 0.000 0.422 260 D N 1.440 121.629 120.400 -0.352 0.000 2.354 260 D HA -0.070 4.570 4.640 -0.000 0.000 0.238 260 D C 0.477 176.588 176.300 -0.315 0.000 1.250 260 D CA 0.079 53.921 54.000 -0.263 0.000 0.911 260 D CB 0.999 41.690 40.800 -0.182 0.000 1.163 260 D HN 0.356 nan 8.370 nan 0.000 0.456 261 D N 1.070 121.404 120.400 -0.110 0.000 2.084 261 D HA -0.129 4.511 4.640 -0.000 0.000 0.194 261 D C 2.103 178.423 176.300 0.032 0.000 0.990 261 D CA 0.874 54.891 54.000 0.028 0.000 0.826 261 D CB 0.145 40.967 40.800 0.036 0.000 0.971 261 D HN 0.398 nan 8.370 nan 0.000 0.453 262 L N 0.686 121.897 121.223 -0.020 0.000 2.083 262 L HA -0.120 4.219 4.340 -0.000 0.000 0.209 262 L C 2.108 178.997 176.870 0.033 0.000 1.083 262 L CA 0.891 55.752 54.840 0.035 0.000 0.752 262 L CB -0.309 41.751 42.059 0.002 0.000 0.899 262 L HN -0.042 nan 8.230 nan 0.000 0.433 263 T N -0.418 114.072 114.554 -0.108 0.000 3.440 263 T HA -0.077 4.273 4.350 -0.000 0.000 0.260 263 T C 1.028 175.644 174.700 -0.139 0.000 1.188 263 T CA 0.896 62.899 62.100 -0.162 0.000 1.020 263 T CB -0.328 68.372 68.868 -0.279 0.000 0.963 263 T HN 0.255 nan 8.240 nan 0.000 0.556 264 F N 0.218 120.156 119.950 -0.020 0.000 2.522 264 F HA 0.219 4.746 4.527 -0.000 0.000 0.275 264 F C 1.649 177.393 175.800 -0.093 0.000 0.890 264 F CA -0.622 57.349 58.000 -0.048 0.000 1.157 264 F CB 0.360 39.334 39.000 -0.043 0.000 1.117 264 F HN -0.179 nan 8.300 nan 0.000 0.787 265 K N 1.253 121.732 120.400 0.133 0.000 2.616 265 K HA 0.008 4.328 4.320 -0.000 0.000 0.192 265 K C 1.308 177.859 176.600 -0.080 0.000 1.031 265 K CA 0.498 56.757 56.287 -0.047 0.000 1.004 265 K CB -0.452 32.051 32.500 0.005 0.000 0.810 265 K HN 0.338 nan 8.250 nan 0.000 0.497 266 L N -1.074 120.127 121.223 -0.037 0.000 2.189 266 L HA 0.078 4.418 4.340 -0.000 0.000 0.199 266 L C 2.129 178.933 176.870 -0.110 0.000 1.074 266 L CA 0.770 55.514 54.840 -0.159 0.000 0.783 266 L CB -0.389 41.620 42.059 -0.084 0.000 0.955 266 L HN 0.182 nan 8.230 nan 0.000 0.460 267 A N -0.250 122.558 122.820 -0.020 0.000 1.972 267 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 267 A C 1.791 179.349 177.584 -0.042 0.000 1.169 267 A CA 1.760 53.797 52.037 0.001 0.000 0.635 267 A CB -0.441 18.613 19.000 0.090 0.000 0.810 267 A HN 0.352 nan 8.150 nan 0.000 0.446 268 D N -0.005 120.325 120.400 -0.117 0.000 2.144 268 D HA -0.100 4.540 4.640 -0.000 0.000 0.199 268 D C 1.859 178.112 176.300 -0.078 0.000 0.984 268 D CA 0.976 54.842 54.000 -0.224 0.000 0.834 268 D CB -0.238 40.145 40.800 -0.694 0.000 0.955 268 D HN 0.510 nan 8.370 nan 0.000 0.465 269 I N 0.290 120.780 120.570 -0.133 0.000 2.163 269 I HA -0.229 3.941 4.170 -0.000 0.000 0.240 269 I C 2.296 178.391 176.117 -0.038 0.000 1.081 269 I CA 0.360 61.631 61.300 -0.047 0.000 1.353 269 I CB -0.082 37.812 38.000 -0.178 0.000 1.054 269 I HN 0.025 nan 8.210 nan 0.000 0.407 270 L N 1.284 122.464 121.223 -0.071 0.000 1.997 270 L HA -0.287 4.053 4.340 -0.000 0.000 0.216 270 L C 2.398 179.247 176.870 -0.035 0.000 1.074 270 L CA 2.017 56.823 54.840 -0.057 0.000 0.763 270 L CB -0.887 41.144 42.059 -0.047 0.000 0.890 270 L HN 0.128 nan 8.230 nan 0.000 0.434 271 K N -1.101 119.289 120.400 -0.016 0.000 2.063 271 K HA -0.104 4.216 4.320 -0.000 0.000 0.208 271 K C 1.879 178.483 176.600 0.006 0.000 1.048 271 K CA 1.339 57.621 56.287 -0.008 0.000 0.928 271 K CB -0.343 32.161 32.500 0.007 0.000 0.713 271 K HN 0.467 nan 8.250 nan 0.000 0.442 272 A N 0.892 123.738 122.820 0.043 0.000 2.216 272 A HA -0.137 4.183 4.320 -0.000 0.000 0.214 272 A C 1.671 179.249 177.584 -0.009 0.000 1.160 272 A CA 1.422 53.474 52.037 0.025 0.000 0.725 272 A CB -0.420 18.611 19.000 0.053 0.000 0.784 272 A HN 0.287 nan 8.150 nan 0.000 0.472 273 N N -0.286 118.403 118.700 -0.019 0.000 2.333 273 N HA 0.077 4.816 4.740 -0.000 0.000 0.183 273 N C 1.507 176.997 175.510 -0.034 0.000 1.030 273 N CA 0.840 53.870 53.050 -0.033 0.000 0.867 273 N CB -0.192 38.267 38.487 -0.046 0.000 1.027 273 N HN 0.365 nan 8.380 nan 0.000 0.435 274 I N 0.621 121.165 120.570 -0.042 0.000 2.068 274 I HA -0.383 3.787 4.170 -0.000 0.000 0.238 274 I C 2.373 178.467 176.117 -0.038 0.000 1.046 274 I CA 1.818 63.087 61.300 -0.052 0.000 1.306 274 I CB -0.665 37.290 38.000 -0.074 0.000 1.023 274 I HN 0.336 nan 8.210 nan 0.000 0.399 275 S N 1.135 116.814 115.700 -0.034 0.000 2.374 275 S HA -0.271 4.199 4.470 -0.000 0.000 0.227 275 S C 2.008 176.593 174.600 -0.024 0.000 1.037 275 S CA 1.593 59.775 58.200 -0.029 0.000 1.024 275 S CB -1.052 62.133 63.200 -0.025 0.000 0.861 275 S HN 0.365 nan 8.310 nan 0.000 0.456 276 L N 2.198 123.407 121.223 -0.024 0.000 1.956 276 L HA -0.149 4.190 4.340 -0.000 0.000 0.216 276 L C 2.808 179.669 176.870 -0.014 0.000 1.073 276 L CA 2.657 57.484 54.840 -0.022 0.000 0.762 276 L CB -0.989 41.056 42.059 -0.023 0.000 0.889 276 L HN 0.555 nan 8.230 nan 0.000 0.433 277 E N -1.229 118.970 120.200 -0.002 0.000 2.097 277 E HA -0.254 4.096 4.350 -0.000 0.000 0.196 277 E C 1.351 177.981 176.600 0.050 0.000 1.000 277 E CA 1.823 58.243 56.400 0.033 0.000 0.804 277 E CB -0.198 29.526 29.700 0.041 0.000 0.740 277 E HN 0.572 nan 8.360 nan 0.000 0.454 278 T N 1.003 115.567 114.554 0.017 0.000 3.400 278 T HA 0.082 4.432 4.350 -0.000 0.000 0.254 278 T C 1.117 175.817 174.700 0.000 0.000 1.153 278 T CA 0.275 62.383 62.100 0.014 0.000 1.012 278 T CB -0.022 68.838 68.868 -0.014 0.000 0.994 278 T HN 0.190 nan 8.240 nan 0.000 0.555 279 L N -0.439 120.778 121.223 -0.010 0.000 3.039 279 L HA 0.320 4.660 4.340 -0.000 0.000 0.269 279 L C 1.222 178.051 176.870 -0.067 0.000 1.169 279 L CA 0.243 55.057 54.840 -0.043 0.000 0.986 279 L CB 0.544 42.573 42.059 -0.050 0.000 1.377 279 L HN 0.193 nan 8.230 nan 0.000 0.575 280 E N -0.520 119.650 120.200 -0.049 0.000 2.569 280 E HA 0.163 4.512 4.350 -0.000 0.000 0.205 280 E C 0.047 176.506 176.600 -0.234 0.000 1.006 280 E CA 0.012 56.339 56.400 -0.122 0.000 0.985 280 E CB 0.613 30.246 29.700 -0.113 0.000 1.060 280 E HN 0.295 nan 8.360 nan 0.000 0.460 281 H N -0.410 118.640 119.070 -0.032 0.000 3.334 281 H HA 0.281 4.836 4.556 -0.000 0.000 0.256 281 H C -0.391 174.920 175.328 -0.029 0.000 1.162 281 H CA -0.118 55.916 56.048 -0.023 0.000 1.030 281 H CB 0.592 30.343 29.762 -0.019 0.000 2.151 281 H HN 0.054 nan 8.280 nan 0.000 0.742 282 N N -0.839 117.883 118.700 0.037 0.000 3.204 282 N HA 0.149 4.889 4.740 -0.000 0.000 0.285 282 N C 0.387 175.869 175.510 -0.046 0.000 1.536 282 N CA -0.380 52.673 53.050 0.004 0.000 0.832 282 N CB 0.656 39.143 38.487 0.001 0.000 1.645 282 N HN 0.154 nan 8.380 nan 0.000 0.586 283 G N 0.324 109.094 108.800 -0.049 0.000 2.452 283 G HA2 0.222 4.182 3.960 -0.000 0.000 0.290 283 G HA3 0.222 4.182 3.960 -0.000 0.000 0.290 283 G C 0.187 175.006 174.900 -0.135 0.000 0.717 283 G CA 0.193 45.246 45.100 -0.079 0.000 1.967 283 G HN 0.589 nan 8.290 nan 0.000 0.471 284 A N 5.278 127.966 122.820 -0.220 0.000 2.671 284 A HA 0.489 4.808 4.320 -0.000 0.000 0.306 284 A C -1.356 175.902 177.584 -0.544 0.000 1.473 284 A CA -1.379 50.445 52.037 -0.354 0.000 1.155 284 A CB 0.386 19.142 19.000 -0.407 0.000 1.123 284 A HN 0.476 nan 8.150 nan 0.000 0.545 285 P HA 0.020 nan 4.420 nan 0.000 0.237 285 P C 0.489 177.661 177.300 -0.212 0.000 1.788 285 P CA -0.116 62.847 63.100 -0.228 0.000 1.061 285 P CB -0.346 31.294 31.700 -0.100 0.000 1.967 286 H N 0.761 119.746 119.070 -0.141 0.000 2.498 286 H HA -0.207 4.349 4.556 -0.000 0.000 0.282 286 H C 0.621 175.792 175.328 -0.263 0.000 1.120 286 H CA 1.621 57.527 56.048 -0.236 0.000 1.081 286 H CB -0.601 28.950 29.762 -0.351 0.000 1.322 286 H HN 0.623 nan 8.280 nan 0.000 0.509 287 H N -1.789 117.321 119.070 0.067 0.000 2.592 287 H HA 0.503 5.059 4.556 -0.000 0.000 0.279 287 H C 1.286 176.617 175.328 0.005 0.000 1.089 287 H CA 0.567 56.636 56.048 0.035 0.000 1.150 287 H CB 0.763 30.544 29.762 0.032 0.000 1.575 287 H HN 0.386 nan 8.280 nan 0.000 0.547 288 A N -0.067 122.795 122.820 0.070 0.000 2.508 288 A HA 0.273 4.593 4.320 -0.000 0.000 0.250 288 A C 1.718 179.301 177.584 -0.003 0.000 1.208 288 A CA -0.165 51.888 52.037 0.026 0.000 0.960 288 A CB 0.165 19.167 19.000 0.003 0.000 1.099 288 A HN 0.166 nan 8.150 nan 0.000 0.542 289 I N 0.247 120.814 120.570 -0.005 0.000 2.556 289 I HA -0.121 4.049 4.170 -0.000 0.000 0.251 289 I C 2.554 178.669 176.117 -0.005 0.000 1.105 289 I CA 1.189 62.477 61.300 -0.019 0.000 1.436 289 I CB -0.127 37.855 38.000 -0.030 0.000 1.139 289 I HN 0.565 nan 8.210 nan 0.000 0.438 290 E N 1.418 121.629 120.200 0.018 0.000 2.130 290 E HA -0.307 4.042 4.350 -0.000 0.000 0.196 290 E C 1.499 178.099 176.600 -0.001 0.000 0.998 290 E CA 1.604 58.013 56.400 0.016 0.000 0.806 290 E CB -0.562 29.167 29.700 0.049 0.000 0.738 290 E HN 0.567 nan 8.360 nan 0.000 0.459 291 E N 0.563 120.765 120.200 0.003 0.000 2.333 291 E HA -0.077 4.273 4.350 -0.000 0.000 0.198 291 E C 1.672 178.259 176.600 -0.022 0.000 1.007 291 E CA 0.915 57.309 56.400 -0.010 0.000 0.845 291 E CB 0.036 29.733 29.700 -0.005 0.000 0.766 291 E HN 0.472 nan 8.360 nan 0.000 0.507 292 A N 0.305 123.112 122.820 -0.022 0.000 2.288 292 A HA 0.045 4.364 4.320 -0.000 0.000 0.216 292 A C 1.792 179.356 177.584 -0.033 0.000 1.199 292 A CA -0.104 51.916 52.037 -0.029 0.000 0.891 292 A CB 0.236 19.219 19.000 -0.028 0.000 0.923 292 A HN 0.100 nan 8.150 nan 0.000 0.500 293 E N 0.788 120.970 120.200 -0.031 0.000 2.060 293 E HA -0.129 4.221 4.350 -0.000 0.000 0.189 293 E C 2.134 178.709 176.600 -0.043 0.000 0.974 293 E CA 1.211 57.588 56.400 -0.038 0.000 0.808 293 E CB -0.012 29.665 29.700 -0.038 0.000 0.768 293 E HN 0.645 nan 8.360 nan 0.000 0.453 294 S N 0.959 116.635 115.700 -0.041 0.000 2.423 294 S HA -0.228 4.242 4.470 -0.000 0.000 0.238 294 S C 2.004 176.603 174.600 -0.001 0.000 1.028 294 S CA 1.135 59.313 58.200 -0.037 0.000 1.000 294 S CB -0.440 62.735 63.200 -0.041 0.000 0.797 294 S HN 0.276 nan 8.310 nan 0.000 0.487 295 L N 0.685 121.900 121.223 -0.015 0.000 2.005 295 L HA 0.144 4.484 4.340 -0.000 0.000 0.207 295 L C 2.341 179.191 176.870 -0.034 0.000 1.072 295 L CA 1.527 56.362 54.840 -0.008 0.000 0.744 295 L CB -0.776 41.238 42.059 -0.076 0.000 0.895 295 L HN 0.387 nan 8.230 nan 0.000 0.433 296 L N -0.322 120.873 121.223 -0.046 0.000 2.046 296 L HA -0.239 4.101 4.340 -0.000 0.000 0.208 296 L C 2.567 179.429 176.870 -0.014 0.000 1.077 296 L CA 2.230 57.048 54.840 -0.036 0.000 0.747 296 L CB -0.908 41.130 42.059 -0.035 0.000 0.896 296 L HN 0.577 nan 8.230 nan 0.000 0.432 297 Q N -1.115 118.680 119.800 -0.009 0.000 2.152 297 Q HA -0.295 4.045 4.340 -0.000 0.000 0.206 297 Q C 2.040 178.086 176.000 0.077 0.000 0.985 297 Q CA 2.518 58.317 55.803 -0.007 0.000 0.863 297 Q CB -0.633 28.070 28.738 -0.059 0.000 0.904 297 Q HN 0.578 nan 8.270 nan 0.000 0.422 298 F N 0.004 119.926 119.950 -0.047 0.000 2.074 298 F HA -0.074 4.452 4.527 -0.000 0.000 0.293 298 F C 1.868 177.717 175.800 0.082 0.000 1.116 298 F CA 2.193 60.186 58.000 -0.011 0.000 1.212 298 F CB -1.050 37.911 39.000 -0.065 0.000 0.998 298 F HN 0.230 nan 8.300 nan 0.000 0.471 299 H N -0.827 117.869 119.070 -0.624 0.000 2.460 299 H HA -0.127 4.428 4.556 -0.000 0.000 0.297 299 H C 2.105 177.242 175.328 -0.318 0.000 1.103 299 H CA 1.179 56.820 56.048 -0.679 0.000 1.292 299 H CB 0.082 29.610 29.762 -0.389 0.000 1.376 299 H HN 0.237 nan 8.280 nan 0.000 0.531 300 V N 0.093 119.972 119.914 -0.058 0.000 2.951 300 V HA -0.075 4.045 4.120 -0.000 0.000 0.255 300 V C 2.384 178.478 176.094 0.000 0.000 1.088 300 V CA 1.009 63.293 62.300 -0.027 0.000 1.109 300 V CB -0.149 31.650 31.823 -0.039 0.000 0.724 300 V HN 0.473 nan 8.190 nan 0.000 0.471 301 A N 0.070 122.890 122.820 0.000 0.000 1.854 301 A HA -0.138 4.182 4.320 -0.000 0.000 0.214 301 A C 2.316 179.911 177.584 0.018 0.000 1.192 301 A CA 2.224 54.277 52.037 0.026 0.000 0.611 301 A CB -0.957 18.122 19.000 0.132 0.000 0.832 301 A HN 0.416 nan 8.150 nan 0.000 0.442 302 T N -1.154 113.386 114.554 -0.023 0.000 2.380 302 T HA -0.305 4.044 4.350 -0.000 0.000 0.239 302 T C 1.618 176.321 174.700 0.005 0.000 1.367 302 T CA 2.275 64.350 62.100 -0.043 0.000 1.235 302 T CB -0.796 67.915 68.868 -0.262 0.000 0.864 302 T HN 0.560 nan 8.240 nan 0.000 0.396 303 Y N 1.333 121.551 120.300 -0.137 0.000 2.261 303 Y HA -0.375 4.175 4.550 -0.000 0.000 0.264 303 Y C 2.233 178.094 175.900 -0.065 0.000 1.313 303 Y CA 2.344 60.383 58.100 -0.102 0.000 1.079 303 Y CB -0.505 37.889 38.460 -0.109 0.000 0.888 303 Y HN 0.320 nan 8.280 nan 0.000 0.523 304 M N -1.790 117.745 119.600 -0.107 0.000 2.429 304 M HA 0.058 4.538 4.480 -0.000 0.000 0.265 304 M C -0.084 176.171 176.300 -0.076 0.000 1.120 304 M CA 0.988 56.181 55.300 -0.179 0.000 1.173 304 M CB 0.283 32.789 32.600 -0.156 0.000 1.343 304 M HN 0.089 nan 8.290 nan 0.000 0.464 305 D N 0.218 120.598 120.400 -0.033 0.000 2.863 305 D HA 0.223 4.862 4.640 -0.000 0.000 0.245 305 D C -1.482 174.840 176.300 0.036 0.000 1.211 305 D CA -0.115 53.895 54.000 0.016 0.000 0.888 305 D CB 1.326 42.154 40.800 0.047 0.000 1.483 305 D HN -0.106 nan 8.370 nan 0.000 0.533 306 N N 2.630 121.354 118.700 0.039 0.000 2.610 306 N HA 0.212 4.952 4.740 -0.000 0.000 0.307 306 N C -1.756 173.791 175.510 0.061 0.000 1.813 306 N CA -0.307 52.782 53.050 0.065 0.000 0.901 306 N CB 0.291 38.810 38.487 0.054 0.000 1.354 306 N HN 0.268 nan 8.380 nan 0.000 0.491 307 D N 0.299 120.734 120.400 0.058 0.000 2.823 307 D HA 0.325 4.965 4.640 -0.000 0.000 0.255 307 D C -0.019 176.313 176.300 0.053 0.000 1.257 307 D CA -0.217 53.812 54.000 0.048 0.000 0.803 307 D CB 0.855 41.675 40.800 0.033 0.000 1.384 307 D HN 0.205 nan 8.370 nan 0.000 0.541 308 I N -0.731 119.875 120.570 0.060 0.000 3.654 308 I HA 0.713 4.883 4.170 -0.000 0.000 0.278 308 I C 1.532 177.677 176.117 0.046 0.000 1.193 308 I CA -1.306 60.029 61.300 0.059 0.000 1.087 308 I CB 0.755 38.798 38.000 0.073 0.000 1.372 308 I HN 0.148 nan 8.210 nan 0.000 0.507 309 A N 0.903 123.750 122.820 0.045 0.000 1.826 309 A HA 0.108 4.428 4.320 -0.000 0.000 0.214 309 A C 1.677 179.276 177.584 0.026 0.000 1.212 309 A CA 1.174 53.231 52.037 0.035 0.000 0.605 309 A CB -1.381 17.641 19.000 0.037 0.000 0.861 309 A HN 0.878 nan 8.150 nan 0.000 0.447 310 G N 0.105 108.920 108.800 0.024 0.000 2.764 310 G HA2 0.283 4.243 3.960 -0.000 0.000 0.278 310 G HA3 0.283 4.243 3.960 -0.000 0.000 0.278 310 G C 0.538 175.436 174.900 -0.003 0.000 0.686 310 G CA 0.392 45.496 45.100 0.006 0.000 2.105 310 G HN 0.621 nan 8.290 nan 0.000 0.562 311 Q N 1.009 120.811 119.800 0.003 0.000 2.444 311 Q HA -0.266 4.074 4.340 -0.000 0.000 0.296 311 Q C -0.922 175.078 176.000 -0.001 0.000 1.005 311 Q CA 2.184 57.989 55.803 0.003 0.000 0.970 311 Q CB -1.416 27.320 28.738 -0.003 0.000 0.957 311 Q HN 0.458 nan 8.270 nan 0.000 0.593 312 P HA -0.230 nan 4.420 nan 0.000 0.016 312 P C -0.144 177.168 177.300 0.020 0.000 0.515 312 P CA 0.916 63.986 63.100 -0.050 0.000 1.033 312 P CB -0.534 31.073 31.700 -0.156 0.000 1.900 313 Q N 0.765 120.590 119.800 0.042 0.000 2.290 313 Q HA -0.218 4.122 4.340 -0.000 0.000 0.211 313 Q C 1.067 177.147 176.000 0.133 0.000 0.991 313 Q CA 1.724 57.572 55.803 0.075 0.000 0.893 313 Q CB -0.392 28.377 28.738 0.052 0.000 0.913 313 Q HN 0.634 nan 8.270 nan 0.000 0.428 314 A N -0.007 122.909 122.820 0.161 0.000 2.301 314 A HA -0.185 4.135 4.320 -0.000 0.000 0.283 314 A C -0.291 177.390 177.584 0.161 0.000 1.419 314 A CA 0.242 52.444 52.037 0.276 0.000 0.730 314 A CB -1.937 17.354 19.000 0.484 0.000 1.161 314 A HN 0.311 nan 8.150 nan 0.000 0.356 315 L N 1.099 122.387 121.223 0.109 0.000 2.357 315 L HA 0.492 4.832 4.340 -0.000 0.000 0.273 315 L C 0.952 177.850 176.870 0.046 0.000 1.080 315 L CA -0.442 54.437 54.840 0.065 0.000 0.803 315 L CB 1.352 43.438 42.059 0.045 0.000 1.174 315 L HN 0.825 nan 8.230 nan 0.000 0.443 316 Q N 2.549 122.363 119.800 0.023 0.000 2.293 316 Q HA 0.138 4.477 4.340 -0.000 0.000 0.251 316 Q C -0.541 175.444 176.000 -0.024 0.000 0.930 316 Q CA -0.631 55.163 55.803 -0.015 0.000 0.893 316 Q CB 0.920 29.654 28.738 -0.006 0.000 1.215 316 Q HN 0.358 nan 8.270 nan 0.000 0.425 317 K N 2.434 122.799 120.400 -0.058 0.000 2.323 317 K HA -0.174 4.145 4.320 -0.000 0.000 0.262 317 K C 0.073 176.657 176.600 -0.026 0.000 1.238 317 K CA 1.270 57.528 56.287 -0.048 0.000 1.249 317 K CB -0.340 32.111 32.500 -0.082 0.000 0.805 317 K HN 0.925 nan 8.250 nan 0.000 0.489 318 S N 0.185 115.879 115.700 -0.009 0.000 1.977 318 S HA -0.080 4.390 4.470 -0.000 0.000 0.234 318 S C 1.024 175.628 174.600 0.007 0.000 0.848 318 S CA 0.460 58.660 58.200 0.001 0.000 1.004 318 S CB -1.279 61.926 63.200 0.008 0.000 1.054 318 S HN 1.030 nan 8.310 nan 0.000 0.540 319 G N 2.017 110.823 108.800 0.010 0.000 2.307 319 G HA2 -0.220 3.739 3.960 -0.000 0.000 0.210 319 G HA3 -0.220 3.739 3.960 -0.000 0.000 0.210 319 G C -0.032 174.880 174.900 0.021 0.000 1.005 319 G CA 0.430 45.539 45.100 0.015 0.000 0.634 319 G HN 0.936 nan 8.290 nan 0.000 0.496 320 R N 1.942 122.456 120.500 0.022 0.000 2.481 320 R HA 0.163 4.503 4.340 -0.000 0.000 0.291 320 R C -1.032 175.287 176.300 0.032 0.000 0.934 320 R CA 0.070 56.187 56.100 0.029 0.000 1.116 320 R CB 0.534 30.856 30.300 0.037 0.000 0.895 320 R HN 0.155 nan 8.270 nan 0.000 0.410 321 P HA -0.115 nan 4.420 nan 0.000 0.216 321 P C -0.596 176.728 177.300 0.041 0.000 1.150 321 P CA 0.801 63.923 63.100 0.037 0.000 0.837 321 P CB 0.212 31.930 31.700 0.029 0.000 0.786 322 V N -1.583 118.354 119.914 0.038 0.000 3.283 322 V HA -0.159 3.961 4.120 -0.000 0.000 0.461 322 V C 0.029 176.136 176.094 0.022 0.000 0.682 322 V CA -0.073 62.251 62.300 0.040 0.000 1.989 322 V CB -1.529 30.318 31.823 0.040 0.000 2.451 322 V HN 0.244 nan 8.190 nan 0.000 0.496 323 K N 3.796 124.203 120.400 0.012 0.000 2.436 323 K HA 0.382 4.702 4.320 -0.000 0.000 0.282 323 K C 0.764 177.344 176.600 -0.034 0.000 1.044 323 K CA 0.537 56.817 56.287 -0.010 0.000 1.028 323 K CB 0.527 33.016 32.500 -0.019 0.000 0.919 323 K HN 0.850 nan 8.250 nan 0.000 0.474 324 S N 2.685 118.360 115.700 -0.040 0.000 2.601 324 S HA 0.212 4.682 4.470 -0.000 0.000 0.271 324 S C 1.518 176.049 174.600 -0.115 0.000 1.305 324 S CA -0.892 57.261 58.200 -0.078 0.000 1.022 324 S CB 0.830 64.004 63.200 -0.042 0.000 0.940 324 S HN 0.512 nan 8.310 nan 0.000 0.525 325 I N 1.466 121.914 120.570 -0.202 0.000 2.145 325 I HA -0.320 3.850 4.170 -0.000 0.000 0.244 325 I C 2.870 178.923 176.117 -0.107 0.000 1.075 325 I CA 2.235 63.422 61.300 -0.189 0.000 1.332 325 I CB -0.475 37.365 38.000 -0.267 0.000 1.033 325 I HN 0.836 nan 8.210 nan 0.000 0.410 326 R N 1.721 122.179 120.500 -0.071 0.000 2.241 326 R HA -0.094 4.245 4.340 -0.000 0.000 0.224 326 R C 2.080 178.343 176.300 -0.061 0.000 1.101 326 R CA 1.309 57.374 56.100 -0.059 0.000 0.995 326 R CB -0.442 29.861 30.300 0.005 0.000 0.870 326 R HN 0.310 nan 8.270 nan 0.000 0.463 327 A N 1.677 124.465 122.820 -0.052 0.000 1.968 327 A HA -0.010 4.310 4.320 -0.000 0.000 0.217 327 A C 1.969 179.524 177.584 -0.049 0.000 1.169 327 A CA 0.747 52.758 52.037 -0.042 0.000 0.638 327 A CB -0.276 18.705 19.000 -0.031 0.000 0.812 327 A HN 0.362 nan 8.150 nan 0.000 0.446 328 R N -0.503 119.962 120.500 -0.059 0.000 2.285 328 R HA 0.058 4.398 4.340 -0.000 0.000 0.213 328 R C 1.174 177.440 176.300 -0.056 0.000 1.068 328 R CA 0.896 56.963 56.100 -0.055 0.000 1.004 328 R CB -0.263 30.000 30.300 -0.063 0.000 0.873 328 R HN 0.517 nan 8.270 nan 0.000 0.467 329 L N -0.359 120.823 121.223 -0.069 0.000 2.500 329 L HA 0.141 4.481 4.340 -0.000 0.000 0.219 329 L C 0.616 177.444 176.870 -0.070 0.000 1.057 329 L CA -0.206 54.589 54.840 -0.076 0.000 0.854 329 L CB -0.032 41.961 42.059 -0.111 0.000 1.078 329 L HN -0.069 nan 8.230 nan 0.000 0.480 330 K N 2.416 122.774 120.400 -0.069 0.000 2.476 330 K HA -0.027 4.292 4.320 -0.000 0.000 0.273 330 K C 0.663 177.233 176.600 -0.049 0.000 1.056 330 K CA 0.161 56.410 56.287 -0.063 0.000 1.150 330 K CB 0.239 32.707 32.500 -0.053 0.000 0.838 330 K HN 0.193 nan 8.250 nan 0.000 0.486 331 G N 3.284 112.055 108.800 -0.049 0.000 2.341 331 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.231 331 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.231 331 G C -0.363 174.529 174.900 -0.015 0.000 1.206 331 G CA 0.187 45.272 45.100 -0.025 0.000 0.865 331 G HN 0.761 nan 8.290 nan 0.000 0.515 332 K N 1.499 121.902 120.400 0.005 0.000 6.595 332 K HA -0.194 4.126 4.320 -0.000 0.000 0.817 332 K C 0.745 177.343 176.600 -0.004 0.000 2.257 332 K CA 1.498 57.789 56.287 0.007 0.000 1.680 332 K CB -0.888 31.614 32.500 0.004 0.000 2.220 332 K HN 0.938 nan 8.250 nan 0.000 0.275 333 E N -0.364 119.836 120.200 -0.001 0.000 4.851 333 E HA -0.171 4.178 4.350 -0.000 0.000 0.191 333 E C 0.531 177.124 176.600 -0.012 0.000 0.953 333 E CA 2.128 58.524 56.400 -0.007 0.000 2.275 333 E CB -1.725 27.969 29.700 -0.011 0.000 1.723 333 E HN 1.068 nan 8.360 nan 0.000 0.514 334 G N 0.970 109.760 108.800 -0.017 0.000 2.393 334 G HA2 0.376 4.335 3.960 -0.000 0.000 0.311 334 G HA3 0.376 4.335 3.960 -0.000 0.000 0.311 334 G C 0.683 175.568 174.900 -0.024 0.000 1.067 334 G CA 0.580 45.664 45.100 -0.026 0.000 1.000 334 G HN 0.138 nan 8.290 nan 0.000 0.422 335 R N 1.686 122.172 120.500 -0.023 0.000 2.567 335 R HA -0.340 4.000 4.340 -0.000 0.000 0.270 335 R C 2.232 178.525 176.300 -0.011 0.000 0.885 335 R CA 2.354 58.443 56.100 -0.019 0.000 0.264 335 R CB -1.288 28.994 30.300 -0.030 0.000 0.580 335 R HN 0.500 nan 8.270 nan 0.000 0.235 336 I N 0.030 120.591 120.570 -0.016 0.000 2.043 336 I HA -0.292 3.878 4.170 -0.000 0.000 0.231 336 I C 2.397 178.521 176.117 0.011 0.000 1.024 336 I CA 2.191 63.489 61.300 -0.003 0.000 1.309 336 I CB -1.148 36.847 38.000 -0.009 0.000 1.030 336 I HN 0.423 nan 8.210 nan 0.000 0.389 337 R N 0.376 120.885 120.500 0.015 0.000 2.236 337 R HA -0.050 4.289 4.340 -0.000 0.000 0.208 337 R C 2.076 178.389 176.300 0.021 0.000 1.036 337 R CA 1.035 57.153 56.100 0.029 0.000 1.001 337 R CB -0.119 30.207 30.300 0.043 0.000 0.896 337 R HN 0.516 nan 8.270 nan 0.000 0.464 338 G N -0.453 108.353 108.800 0.009 0.000 2.510 338 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.212 338 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.212 338 G C 1.084 175.988 174.900 0.007 0.000 1.151 338 G CA -0.005 45.099 45.100 0.007 0.000 0.817 338 G HN 0.262 nan 8.290 nan 0.000 0.534 339 N N -0.435 118.268 118.700 0.004 0.000 2.332 339 N HA 0.221 4.961 4.740 -0.000 0.000 0.190 339 N C 1.762 177.277 175.510 0.007 0.000 1.117 339 N CA 0.048 53.101 53.050 0.004 0.000 0.883 339 N CB 0.815 39.301 38.487 -0.002 0.000 1.089 339 N HN 0.230 nan 8.380 nan 0.000 0.480 340 L N 0.238 121.466 121.223 0.008 0.000 2.356 340 L HA 0.219 4.559 4.340 -0.000 0.000 0.193 340 L C 1.640 178.517 176.870 0.012 0.000 1.087 340 L CA 0.316 55.162 54.840 0.010 0.000 0.817 340 L CB -0.143 41.922 42.059 0.011 0.000 1.035 340 L HN -0.038 nan 8.230 nan 0.000 0.482 341 M N 0.131 119.741 119.600 0.017 0.000 2.700 341 M HA 0.160 4.640 4.480 -0.000 0.000 0.249 341 M C 0.584 176.891 176.300 0.012 0.000 1.082 341 M CA 0.362 55.672 55.300 0.017 0.000 1.077 341 M CB -1.116 31.502 32.600 0.029 0.000 1.477 341 M HN 0.232 nan 8.290 nan 0.000 0.529 342 G N 1.134 109.942 108.800 0.013 0.000 2.524 342 G HA2 0.437 4.397 3.960 -0.000 0.000 0.306 342 G HA3 0.437 4.397 3.960 -0.000 0.000 0.306 342 G C -1.043 173.867 174.900 0.017 0.000 1.420 342 G CA -0.966 44.142 45.100 0.013 0.000 1.086 342 G HN 0.263 nan 8.290 nan 0.000 0.591 343 K N 1.007 121.419 120.400 0.020 0.000 2.444 343 K HA 0.719 5.039 4.320 -0.000 0.000 0.252 343 K C -0.376 176.250 176.600 0.043 0.000 0.993 343 K CA -1.289 55.014 56.287 0.027 0.000 0.847 343 K CB 2.384 34.897 32.500 0.023 0.000 1.340 343 K HN 0.501 nan 8.250 nan 0.000 0.446 344 R N 0.729 121.256 120.500 0.044 0.000 2.491 344 R HA 0.286 4.625 4.340 -0.000 0.000 0.283 344 R C 0.283 176.627 176.300 0.074 0.000 1.072 344 R CA -0.798 55.339 56.100 0.061 0.000 1.048 344 R CB 0.635 30.961 30.300 0.042 0.000 0.983 344 R HN 0.562 nan 8.270 nan 0.000 0.450 345 V N -1.500 118.483 119.914 0.114 0.000 3.046 345 V HA 0.466 4.585 4.120 -0.000 0.000 0.316 345 V C -0.487 175.692 176.094 0.141 0.000 1.104 345 V CA -1.148 61.233 62.300 0.134 0.000 1.006 345 V CB 2.269 34.194 31.823 0.170 0.000 1.058 345 V HN 0.576 nan 8.190 nan 0.000 0.440 346 D N 0.838 121.327 120.400 0.150 0.000 2.423 346 D HA 0.461 5.100 4.640 -0.000 0.000 0.255 346 D C -0.169 176.282 176.300 0.251 0.000 1.174 346 D CA 0.223 54.272 54.000 0.081 0.000 1.008 346 D CB 0.499 41.288 40.800 -0.018 0.000 1.101 346 D HN 0.747 nan 8.370 nan 0.000 0.516 347 F N -0.422 119.577 119.950 0.081 0.000 2.807 347 F HA -0.249 4.278 4.527 -0.000 0.000 0.297 347 F C 0.171 176.024 175.800 0.089 0.000 1.024 347 F CA 0.123 58.178 58.000 0.092 0.000 1.008 347 F CB -1.729 37.335 39.000 0.106 0.000 1.142 347 F HN 0.209 nan 8.300 nan 0.000 0.829 348 S N -0.477 115.306 115.700 0.139 0.000 2.570 348 S HA 1.001 5.470 4.470 -0.000 0.000 0.270 348 S C -0.653 173.960 174.600 0.022 0.000 1.149 348 S CA -0.353 57.850 58.200 0.006 0.000 0.837 348 S CB 2.494 65.649 63.200 -0.076 0.000 1.124 348 S HN 1.484 nan 8.310 nan 0.000 0.465 349 A N 1.063 123.902 122.820 0.033 0.000 2.610 349 A HA 0.946 5.266 4.320 -0.000 0.000 0.291 349 A C -1.050 176.648 177.584 0.190 0.000 1.086 349 A CA -0.873 51.238 52.037 0.124 0.000 0.677 349 A CB 1.796 20.931 19.000 0.225 0.000 1.278 349 A HN 1.182 nan 8.150 nan 0.000 0.414 350 R N 0.187 120.730 120.500 0.072 0.000 2.561 350 R HA 0.656 4.995 4.340 -0.000 0.000 0.266 350 R C -0.924 175.210 176.300 -0.276 0.000 1.091 350 R CA 0.501 56.591 56.100 -0.016 0.000 0.927 350 R CB 1.790 32.097 30.300 0.011 0.000 1.240 350 R HN 1.525 nan 8.270 nan 0.000 0.449 351 T N -1.163 113.087 114.554 -0.506 0.000 2.606 351 T HA 0.414 4.764 4.350 -0.000 0.000 0.289 351 T C -1.053 173.477 174.700 -0.284 0.000 1.113 351 T CA -0.513 61.328 62.100 -0.431 0.000 1.106 351 T CB 0.942 69.466 68.868 -0.573 0.000 1.611 351 T HN 0.185 nan 8.240 nan 0.000 0.471 352 V N 2.470 122.264 119.914 -0.200 0.000 2.439 352 V HA 0.515 4.635 4.120 -0.000 0.000 0.282 352 V C 0.441 176.536 176.094 0.001 0.000 1.039 352 V CA -0.872 61.389 62.300 -0.065 0.000 0.913 352 V CB 0.614 32.416 31.823 -0.034 0.000 0.983 352 V HN 0.798 nan 8.190 nan 0.000 0.460 353 I N 2.711 123.353 120.570 0.120 0.000 2.499 353 I HA 0.849 5.019 4.170 -0.000 0.000 0.296 353 I C 0.061 176.269 176.117 0.151 0.000 0.992 353 I CA -0.092 61.340 61.300 0.220 0.000 1.297 353 I CB 1.700 39.931 38.000 0.386 0.000 1.410 353 I HN 0.660 nan 8.210 nan 0.000 0.507 354 S N 2.383 117.924 115.700 -0.266 0.000 2.592 354 S HA 0.620 5.089 4.470 -0.000 0.000 0.275 354 S C -0.309 173.605 174.600 -1.143 0.000 1.169 354 S CA -0.786 56.793 58.200 -1.034 0.000 0.958 354 S CB 0.945 63.875 63.200 -0.450 0.000 1.095 354 S HN 1.147 nan 8.310 nan 0.000 0.471 355 G N 0.821 108.439 108.800 -1.970 0.000 2.527 355 G HA2 0.468 4.428 3.960 -0.000 0.000 0.248 355 G HA3 0.468 4.428 3.960 -0.000 0.000 0.248 355 G C -0.978 173.747 174.900 -0.292 0.000 1.231 355 G CA -0.159 44.585 45.100 -0.593 0.000 0.838 355 G HN 0.746 nan 8.290 nan 0.000 0.570 356 D N 1.414 121.744 120.400 -0.117 0.000 2.549 356 D HA 0.278 4.917 4.640 -0.000 0.000 0.251 356 D C -1.781 174.514 176.300 -0.009 0.000 1.153 356 D CA -1.786 52.172 54.000 -0.071 0.000 0.861 356 D CB 2.584 43.340 40.800 -0.073 0.000 1.207 356 D HN 0.121 nan 8.370 nan 0.000 0.543 357 P HA 0.085 nan 4.420 nan 0.000 0.252 357 P C -0.097 177.235 177.300 0.054 0.000 1.265 357 P CA 0.120 63.259 63.100 0.066 0.000 0.775 357 P CB 0.352 32.112 31.700 0.100 0.000 1.128 358 N N 0.003 118.706 118.700 0.005 0.000 2.433 358 N HA 0.235 4.975 4.740 -0.000 0.000 0.270 358 N C -0.425 175.046 175.510 -0.065 0.000 1.354 358 N CA -0.064 52.958 53.050 -0.048 0.000 0.889 358 N CB 1.040 39.488 38.487 -0.065 0.000 1.285 358 N HN 0.218 nan 8.380 nan 0.000 0.503 359 L N 1.115 122.312 121.223 -0.044 0.000 2.349 359 L HA 0.324 4.664 4.340 -0.000 0.000 0.278 359 L C 0.369 177.213 176.870 -0.043 0.000 0.996 359 L CA -0.726 54.079 54.840 -0.058 0.000 0.825 359 L CB 2.008 44.023 42.059 -0.073 0.000 1.243 359 L HN -0.121 nan 8.230 nan 0.000 0.412 360 E N 1.720 121.892 120.200 -0.046 0.000 2.565 360 E HA -0.152 4.197 4.350 -0.000 0.000 0.268 360 E C 0.870 177.455 176.600 -0.025 0.000 1.000 360 E CA 0.122 56.507 56.400 -0.024 0.000 0.964 360 E CB 0.968 30.652 29.700 -0.027 0.000 0.955 360 E HN 0.452 nan 8.360 nan 0.000 0.459 361 L N 3.618 124.834 121.223 -0.011 0.000 2.010 361 L HA -0.283 4.057 4.340 -0.000 0.000 0.219 361 L C 1.551 178.401 176.870 -0.033 0.000 1.077 361 L CA 2.779 57.585 54.840 -0.057 0.000 0.773 361 L CB -0.685 41.284 42.059 -0.150 0.000 0.892 361 L HN 0.625 nan 8.230 nan 0.000 0.436 362 D N -1.740 118.663 120.400 0.004 0.000 2.349 362 D HA -0.058 4.582 4.640 -0.000 0.000 0.224 362 D C 0.904 177.244 176.300 0.066 0.000 1.029 362 D CA 0.141 54.201 54.000 0.100 0.000 0.879 362 D CB -0.296 40.549 40.800 0.075 0.000 0.906 362 D HN 0.587 nan 8.370 nan 0.000 0.528 363 Q N -0.475 119.284 119.800 -0.069 0.000 2.247 363 Q HA 0.473 4.812 4.340 -0.000 0.000 0.184 363 Q C -0.725 175.069 176.000 -0.344 0.000 1.067 363 Q CA -0.759 54.962 55.803 -0.137 0.000 1.115 363 Q CB 1.812 30.479 28.738 -0.119 0.000 1.147 363 Q HN 0.046 nan 8.270 nan 0.000 0.599 364 V N 0.043 119.743 119.914 -0.356 0.000 2.857 364 V HA 0.310 4.430 4.120 -0.000 0.000 0.267 364 V C -0.880 174.976 176.094 -0.397 0.000 1.193 364 V CA -0.356 61.612 62.300 -0.553 0.000 0.933 364 V CB 1.012 32.263 31.823 -0.953 0.000 1.073 364 V HN 0.801 nan 8.190 nan 0.000 0.479 365 G N 5.350 113.994 108.800 -0.260 0.000 2.299 365 G HA2 0.454 4.414 3.960 -0.000 0.000 0.256 365 G HA3 0.454 4.414 3.960 -0.000 0.000 0.256 365 G C -0.401 174.435 174.900 -0.107 0.000 1.259 365 G CA 0.091 45.102 45.100 -0.149 0.000 0.943 365 G HN 0.992 nan 8.290 nan 0.000 0.479 366 V N 6.420 126.276 119.914 -0.095 0.000 2.417 366 V HA 0.326 4.446 4.120 -0.000 0.000 0.291 366 V C -1.805 174.307 176.094 0.030 0.000 1.024 366 V CA -1.772 60.528 62.300 0.001 0.000 0.861 366 V CB 2.193 33.963 31.823 -0.089 0.000 0.985 366 V HN 0.655 nan 8.190 nan 0.000 0.436 367 P HA -0.003 nan 4.420 nan 0.000 0.261 367 P C 0.627 177.896 177.300 -0.052 0.000 1.183 367 P CA 0.189 63.301 63.100 0.020 0.000 0.761 367 P CB 0.774 32.495 31.700 0.036 0.000 0.785 368 K N 3.981 124.298 120.400 -0.140 0.000 2.049 368 K HA -0.311 4.009 4.320 -0.000 0.000 0.219 368 K C 2.070 178.582 176.600 -0.146 0.000 1.056 368 K CA 2.708 58.853 56.287 -0.237 0.000 0.946 368 K CB -0.797 31.554 32.500 -0.249 0.000 0.723 368 K HN 0.403 nan 8.250 nan 0.000 0.453 369 S N 0.468 116.113 115.700 -0.091 0.000 2.406 369 S HA -0.247 4.222 4.470 -0.000 0.000 0.242 369 S C 1.944 176.540 174.600 -0.007 0.000 1.079 369 S CA 2.109 60.280 58.200 -0.047 0.000 1.133 369 S CB -0.560 62.620 63.200 -0.034 0.000 1.005 369 S HN 0.439 nan 8.310 nan 0.000 0.443 370 I N 1.739 122.322 120.570 0.021 0.000 2.202 370 I HA -0.122 4.048 4.170 -0.000 0.000 0.242 370 I C 3.034 179.206 176.117 0.092 0.000 1.091 370 I CA 1.170 62.518 61.300 0.079 0.000 1.368 370 I CB -0.975 37.122 38.000 0.162 0.000 1.058 370 I HN 0.492 nan 8.210 nan 0.000 0.410 371 A N 0.811 123.663 122.820 0.052 0.000 1.978 371 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 371 A C 2.174 179.871 177.584 0.189 0.000 1.170 371 A CA 1.464 53.561 52.037 0.101 0.000 0.636 371 A CB -0.444 18.570 19.000 0.023 0.000 0.810 371 A HN 0.342 nan 8.150 nan 0.000 0.448 372 K N -0.790 119.640 120.400 0.049 0.000 2.525 372 K HA 0.026 4.346 4.320 -0.000 0.000 0.192 372 K C 0.910 177.697 176.600 0.311 0.000 1.029 372 K CA 1.094 57.370 56.287 -0.018 0.000 1.029 372 K CB 0.029 32.418 32.500 -0.185 0.000 0.814 372 K HN 0.516 nan 8.250 nan 0.000 0.503 373 T N 0.342 115.030 114.554 0.224 0.000 3.056 373 T HA 0.175 4.524 4.350 -0.000 0.000 0.243 373 T C 0.556 175.347 174.700 0.152 0.000 0.995 373 T CA -0.077 62.114 62.100 0.152 0.000 1.091 373 T CB 0.336 69.255 68.868 0.085 0.000 0.990 373 T HN -0.024 nan 8.240 nan 0.000 0.464 374 L N 3.162 124.499 121.223 0.190 0.000 2.331 374 L HA 0.442 4.782 4.340 -0.000 0.000 0.278 374 L C 0.882 177.929 176.870 0.295 0.000 1.106 374 L CA -0.458 54.523 54.840 0.234 0.000 0.824 374 L CB 0.915 43.117 42.059 0.238 0.000 1.142 374 L HN 0.268 nan 8.230 nan 0.000 0.443 375 T N -0.095 114.690 114.554 0.385 0.000 2.870 375 T HA 0.553 4.903 4.350 -0.000 0.000 0.277 375 T C -1.141 173.799 174.700 0.399 0.000 1.000 375 T CA -0.586 61.717 62.100 0.338 0.000 0.982 375 T CB 1.655 70.688 68.868 0.275 0.000 1.249 375 T HN 0.409 nan 8.240 nan 0.000 0.589 376 Y N 1.531 121.899 120.300 0.114 0.000 2.287 376 Y HA 0.424 4.974 4.550 -0.000 0.000 0.325 376 Y C -2.810 173.088 175.900 -0.003 0.000 1.139 376 Y CA -2.545 55.559 58.100 0.007 0.000 1.167 376 Y CB 1.840 40.299 38.460 -0.002 0.000 1.158 376 Y HN 0.526 nan 8.280 nan 0.000 0.434 377 P HA -0.012 nan 4.420 nan 0.000 0.257 377 P C -0.653 176.195 177.300 -0.753 0.000 1.227 377 P CA 0.613 63.384 63.100 -0.548 0.000 0.981 377 P CB 0.398 31.875 31.700 -0.372 0.000 1.044 378 E N 3.393 123.333 120.200 -0.433 0.000 2.113 378 E HA 0.277 4.626 4.350 -0.000 0.000 0.273 378 E C -0.508 176.029 176.600 -0.106 0.000 0.924 378 E CA -0.942 55.322 56.400 -0.227 0.000 0.764 378 E CB 1.052 30.743 29.700 -0.015 0.000 1.104 378 E HN 0.072 nan 8.360 nan 0.000 0.406 379 V N 4.277 124.141 119.914 -0.083 0.000 2.763 379 V HA -0.021 4.099 4.120 -0.000 0.000 0.306 379 V C 0.306 176.378 176.094 -0.037 0.000 1.059 379 V CA -0.295 61.983 62.300 -0.038 0.000 1.138 379 V CB 1.304 33.110 31.823 -0.028 0.000 0.940 379 V HN 0.528 nan 8.190 nan 0.000 0.489 380 V N 4.899 124.803 119.914 -0.017 0.000 2.529 380 V HA 0.249 4.369 4.120 -0.000 0.000 0.292 380 V C 0.476 176.498 176.094 -0.121 0.000 1.028 380 V CA 0.510 62.764 62.300 -0.078 0.000 1.074 380 V CB 0.775 32.545 31.823 -0.088 0.000 0.958 380 V HN 1.065 nan 8.190 nan 0.000 0.481 381 T N 7.585 122.018 114.554 -0.202 0.000 2.952 381 T HA 0.349 4.698 4.350 -0.000 0.000 0.305 381 T C -2.147 172.364 174.700 -0.315 0.000 1.064 381 T CA -0.856 61.066 62.100 -0.296 0.000 1.008 381 T CB 2.321 70.878 68.868 -0.519 0.000 1.078 381 T HN 0.468 nan 8.240 nan 0.000 0.459 382 P HA -0.086 nan 4.420 nan 0.000 0.247 382 P C 0.149 177.590 177.300 0.235 0.000 1.215 382 P CA 1.111 64.247 63.100 0.059 0.000 0.752 382 P CB -0.260 31.672 31.700 0.386 0.000 0.927 383 Y N 0.092 120.400 120.300 0.014 0.000 2.581 383 Y HA 0.100 4.649 4.550 -0.000 0.000 0.271 383 Y C 1.719 177.613 175.900 -0.009 0.000 1.100 383 Y CA -0.065 58.040 58.100 0.009 0.000 1.281 383 Y CB -0.281 38.190 38.460 0.018 0.000 1.237 383 Y HN 0.130 nan 8.280 nan 0.000 0.514 384 N N -0.720 118.021 118.700 0.070 0.000 2.171 384 N HA 0.057 4.796 4.740 -0.000 0.000 0.212 384 N C 1.082 176.565 175.510 -0.045 0.000 1.184 384 N CA -0.041 53.020 53.050 0.020 0.000 0.888 384 N CB -0.110 38.392 38.487 0.025 0.000 1.038 384 N HN 0.116 nan 8.380 nan 0.000 0.517 385 I N 1.772 122.277 120.570 -0.109 0.000 2.091 385 I HA -0.286 3.884 4.170 -0.000 0.000 0.239 385 I C 1.173 177.228 176.117 -0.104 0.000 1.061 385 I CA 1.737 62.933 61.300 -0.173 0.000 1.317 385 I CB -0.479 37.334 38.000 -0.312 0.000 1.031 385 I HN 0.225 nan 8.210 nan 0.000 0.401 386 D N -0.075 120.282 120.400 -0.071 0.000 2.126 386 D HA -0.266 4.374 4.640 -0.000 0.000 0.190 386 D C 2.234 178.517 176.300 -0.029 0.000 1.001 386 D CA 1.494 55.468 54.000 -0.043 0.000 0.841 386 D CB -0.360 40.428 40.800 -0.020 0.000 0.949 386 D HN 0.350 nan 8.370 nan 0.000 0.446 387 R N 0.422 120.912 120.500 -0.017 0.000 2.075 387 R HA -0.060 4.280 4.340 -0.000 0.000 0.232 387 R C 2.632 178.925 176.300 -0.011 0.000 1.126 387 R CA 0.594 56.689 56.100 -0.008 0.000 0.963 387 R CB -0.252 30.051 30.300 0.004 0.000 0.858 387 R HN 0.157 nan 8.270 nan 0.000 0.435 388 L N 0.083 121.296 121.223 -0.017 0.000 2.046 388 L HA -0.141 4.198 4.340 -0.000 0.000 0.208 388 L C 2.271 179.132 176.870 -0.015 0.000 1.077 388 L CA 1.792 56.623 54.840 -0.014 0.000 0.747 388 L CB -0.494 41.551 42.059 -0.023 0.000 0.896 388 L HN 0.257 nan 8.230 nan 0.000 0.432 389 T N -1.813 112.723 114.554 -0.030 0.000 3.007 389 T HA -0.209 4.141 4.350 -0.000 0.000 0.270 389 T C 1.687 176.379 174.700 -0.013 0.000 1.107 389 T CA 1.046 63.131 62.100 -0.025 0.000 1.118 389 T CB -0.087 68.754 68.868 -0.044 0.000 0.889 389 T HN 0.212 nan 8.240 nan 0.000 0.506 390 Q N 1.263 121.056 119.800 -0.013 0.000 2.036 390 Q HA 0.176 4.515 4.340 -0.000 0.000 0.195 390 Q C 2.093 178.091 176.000 -0.004 0.000 0.971 390 Q CA 1.118 56.916 55.803 -0.008 0.000 0.826 390 Q CB -0.760 27.972 28.738 -0.010 0.000 0.896 390 Q HN 0.477 nan 8.270 nan 0.000 0.449 391 L N -0.196 121.025 121.223 -0.003 0.000 2.089 391 L HA -0.222 4.118 4.340 -0.000 0.000 0.213 391 L C 2.282 179.156 176.870 0.007 0.000 1.079 391 L CA 1.108 55.949 54.840 0.003 0.000 0.758 391 L CB -0.586 41.476 42.059 0.006 0.000 0.891 391 L HN 0.125 nan 8.230 nan 0.000 0.433 392 V N -0.640 119.277 119.914 0.004 0.000 2.323 392 V HA -0.240 3.880 4.120 -0.000 0.000 0.244 392 V C 2.588 178.686 176.094 0.007 0.000 1.041 392 V CA 1.627 63.930 62.300 0.006 0.000 1.025 392 V CB -0.554 31.280 31.823 0.019 0.000 0.656 392 V HN 0.368 nan 8.190 nan 0.000 0.451 393 R N 0.418 120.922 120.500 0.008 0.000 2.091 393 R HA -0.151 4.189 4.340 -0.000 0.000 0.238 393 R C 2.215 178.521 176.300 0.010 0.000 1.136 393 R CA 1.609 57.714 56.100 0.009 0.000 0.959 393 R CB -0.496 29.808 30.300 0.006 0.000 0.856 393 R HN 0.527 nan 8.270 nan 0.000 0.437 394 N N 0.351 119.057 118.700 0.010 0.000 2.322 394 N HA -0.125 4.615 4.740 -0.000 0.000 0.189 394 N C 0.872 176.398 175.510 0.028 0.000 1.012 394 N CA 1.429 54.488 53.050 0.016 0.000 0.880 394 N CB -0.257 38.239 38.487 0.016 0.000 0.967 394 N HN 0.398 nan 8.380 nan 0.000 0.439 395 G N 0.538 109.351 108.800 0.022 0.000 2.856 395 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.674 395 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.674 395 G C -1.868 173.073 174.900 0.069 0.000 1.519 395 G CA -0.165 44.946 45.100 0.019 0.000 0.940 395 G HN 0.104 nan 8.290 nan 0.000 0.564 396 P HA -0.001 nan 4.420 nan 0.000 0.242 396 P C 0.724 178.152 177.300 0.212 0.000 1.197 396 P CA 0.846 64.038 63.100 0.154 0.000 0.765 396 P CB 0.105 31.777 31.700 -0.046 0.000 0.936 397 N N -0.507 118.256 118.700 0.105 0.000 2.227 397 N HA 0.074 4.814 4.740 -0.000 0.000 0.196 397 N C 0.423 175.941 175.510 0.015 0.000 1.142 397 N CA 0.119 53.197 53.050 0.046 0.000 0.887 397 N CB 0.737 39.240 38.487 0.026 0.000 1.022 397 N HN 0.325 nan 8.380 nan 0.000 0.500 398 E N 0.410 120.626 120.200 0.027 0.000 2.249 398 E HA 0.031 4.381 4.350 -0.000 0.000 0.280 398 E C 0.557 177.139 176.600 -0.031 0.000 1.016 398 E CA -0.298 56.105 56.400 0.005 0.000 0.830 398 E CB 1.562 31.268 29.700 0.010 0.000 1.081 398 E HN 0.175 nan 8.360 nan 0.000 0.395 399 H N 4.806 123.803 119.070 -0.121 0.000 2.274 399 H HA -0.057 4.499 4.556 -0.000 0.000 0.296 399 H C -1.341 173.916 175.328 -0.117 0.000 1.061 399 H CA 1.325 57.257 56.048 -0.194 0.000 1.226 399 H CB -1.031 28.650 29.762 -0.135 0.000 1.370 399 H HN 0.330 nan 8.280 nan 0.000 0.507 400 P HA 0.138 nan 4.420 nan 0.000 0.238 400 P C -0.438 176.768 177.300 -0.158 0.000 1.649 400 P CA 0.674 63.443 63.100 -0.553 0.000 0.960 400 P CB -0.187 31.327 31.700 -0.311 0.000 1.911 401 G N -0.188 108.638 108.800 0.044 0.000 3.209 401 G HA2 0.815 4.775 3.960 -0.000 0.000 0.236 401 G HA3 0.815 4.775 3.960 -0.000 0.000 0.236 401 G C -1.298 173.764 174.900 0.269 0.000 1.329 401 G CA -0.545 44.681 45.100 0.211 0.000 1.015 401 G HN 0.301 nan 8.290 nan 0.000 0.571 402 A N -1.226 121.593 122.820 -0.002 0.000 2.564 402 A HA 0.789 5.108 4.320 -0.000 0.000 0.288 402 A C 0.025 177.419 177.584 -0.317 0.000 1.164 402 A CA -0.065 51.819 52.037 -0.255 0.000 0.712 402 A CB 1.679 20.627 19.000 -0.088 0.000 1.303 402 A HN 1.007 nan 8.150 nan 0.000 0.418 403 K N -0.977 119.241 120.400 -0.303 0.000 2.553 403 K HA 0.453 4.773 4.320 -0.000 0.000 0.205 403 K C -1.478 174.920 176.600 -0.337 0.000 1.168 403 K CA 0.007 56.105 56.287 -0.315 0.000 1.043 403 K CB 0.514 32.789 32.500 -0.375 0.000 0.967 403 K HN 0.593 nan 8.250 nan 0.000 0.585 404 Y N -0.212 120.024 120.300 -0.107 0.000 2.409 404 Y HA 0.303 4.853 4.550 -0.000 0.000 0.321 404 Y C -1.495 174.362 175.900 -0.071 0.000 1.209 404 Y CA -1.164 56.883 58.100 -0.089 0.000 1.086 404 Y CB 2.445 40.856 38.460 -0.082 0.000 1.320 404 Y HN -0.254 nan 8.280 nan 0.000 0.440 405 V N 5.691 125.676 119.914 0.118 0.000 2.487 405 V HA 0.523 4.643 4.120 -0.000 0.000 0.298 405 V C -0.498 175.545 176.094 -0.085 0.000 1.028 405 V CA -0.664 61.655 62.300 0.031 0.000 0.860 405 V CB 1.640 33.497 31.823 0.055 0.000 0.991 405 V HN 0.534 nan 8.190 nan 0.000 0.427 406 I N 2.880 123.366 120.570 -0.140 0.000 2.382 406 I HA 0.660 4.829 4.170 -0.000 0.000 0.285 406 I C 0.072 175.906 176.117 -0.471 0.000 1.007 406 I CA -0.841 60.300 61.300 -0.265 0.000 1.142 406 I CB 1.258 39.146 38.000 -0.187 0.000 1.289 406 I HN 0.424 nan 8.210 nan 0.000 0.453 407 R N 3.030 123.022 120.500 -0.847 0.000 2.679 407 R HA 0.117 4.457 4.340 -0.000 0.000 0.269 407 R C 0.933 176.871 176.300 -0.603 0.000 1.076 407 R CA -0.052 55.178 56.100 -1.449 0.000 1.160 407 R CB 0.402 29.897 30.300 -1.342 0.000 1.054 407 R HN 0.768 nan 8.270 nan 0.000 0.507 408 D N 0.080 120.281 120.400 -0.331 0.000 2.170 408 D HA -0.217 4.423 4.640 -0.000 0.000 0.193 408 D C 0.158 176.413 176.300 -0.076 0.000 1.004 408 D CA 1.599 55.582 54.000 -0.028 0.000 0.860 408 D CB -0.412 40.476 40.800 0.147 0.000 0.931 408 D HN 0.427 nan 8.370 nan 0.000 0.448 409 S N 0.052 115.686 115.700 -0.110 0.000 4.051 409 S HA 0.354 4.824 4.470 -0.000 0.000 0.215 409 S C 1.286 175.823 174.600 -0.105 0.000 1.289 409 S CA -0.301 57.849 58.200 -0.083 0.000 0.907 409 S CB -0.642 62.517 63.200 -0.068 0.000 1.603 409 S HN 0.517 nan 8.310 nan 0.000 0.453 410 G N 1.789 110.537 108.800 -0.087 0.000 1.980 410 G HA2 -0.100 3.859 3.960 -0.000 0.000 0.241 410 G HA3 -0.100 3.859 3.960 -0.000 0.000 0.241 410 G C -0.178 174.667 174.900 -0.092 0.000 0.728 410 G CA 0.590 45.640 45.100 -0.083 0.000 0.968 410 G HN 0.780 nan 8.290 nan 0.000 0.377 411 D N -0.859 119.462 120.400 -0.131 0.000 2.661 411 D HA 0.541 5.181 4.640 -0.000 0.000 0.228 411 D C 0.008 176.217 176.300 -0.153 0.000 1.210 411 D CA -0.919 53.008 54.000 -0.121 0.000 0.826 411 D CB 1.092 41.828 40.800 -0.107 0.000 1.542 411 D HN 0.474 nan 8.370 nan 0.000 0.447 412 R N 2.251 122.680 120.500 -0.119 0.000 2.494 412 R HA 0.684 5.024 4.340 -0.000 0.000 0.305 412 R C -0.598 175.689 176.300 -0.022 0.000 0.959 412 R CA -0.846 55.189 56.100 -0.109 0.000 0.864 412 R CB 1.133 31.328 30.300 -0.174 0.000 1.159 412 R HN 0.316 nan 8.270 nan 0.000 0.446 413 I N 2.143 122.714 120.570 0.001 0.000 2.331 413 I HA 0.137 4.307 4.170 -0.000 0.000 0.292 413 I C -0.138 176.057 176.117 0.131 0.000 0.998 413 I CA -0.581 60.742 61.300 0.037 0.000 1.267 413 I CB 1.412 39.406 38.000 -0.009 0.000 1.386 413 I HN 0.602 nan 8.210 nan 0.000 0.476 414 D N 7.131 127.570 120.400 0.065 0.000 2.411 414 D HA 0.167 4.806 4.640 -0.000 0.000 0.225 414 D C 1.037 177.211 176.300 -0.210 0.000 1.156 414 D CA -0.202 53.723 54.000 -0.126 0.000 0.874 414 D CB 1.096 41.781 40.800 -0.193 0.000 1.034 414 D HN 0.535 nan 8.370 nan 0.000 0.502 415 L N 3.507 124.585 121.223 -0.241 0.000 2.661 415 L HA -0.170 4.170 4.340 -0.000 0.000 0.236 415 L C 2.192 178.967 176.870 -0.157 0.000 1.176 415 L CA 0.871 55.614 54.840 -0.162 0.000 0.836 415 L CB -0.220 41.747 42.059 -0.153 0.000 0.960 415 L HN 0.389 nan 8.230 nan 0.000 0.455 416 R N -2.604 117.737 120.500 -0.264 0.000 2.437 416 R HA 0.068 4.408 4.340 -0.000 0.000 0.257 416 R C 0.974 177.368 176.300 0.156 0.000 0.927 416 R CA 0.030 56.032 56.100 -0.162 0.000 1.078 416 R CB 0.139 30.245 30.300 -0.324 0.000 1.161 416 R HN 0.309 nan 8.270 nan 0.000 0.529 417 Y N 0.541 120.810 120.300 -0.050 0.000 3.105 417 Y HA 0.168 4.718 4.550 -0.000 0.000 0.216 417 Y C 0.826 176.716 175.900 -0.017 0.000 0.943 417 Y CA -0.583 57.500 58.100 -0.028 0.000 1.535 417 Y CB 0.098 38.544 38.460 -0.024 0.000 1.475 417 Y HN 0.007 nan 8.280 nan 0.000 0.435 418 S N 3.192 118.996 115.700 0.172 0.000 4.045 418 S HA -0.206 4.264 4.470 -0.000 0.000 0.485 418 S C 1.116 175.758 174.600 0.069 0.000 1.097 418 S CA 0.606 58.861 58.200 0.092 0.000 0.930 418 S CB 0.119 63.353 63.200 0.055 0.000 0.685 418 S HN 0.564 nan 8.310 nan 0.000 0.484 419 K N 4.561 124.993 120.400 0.054 0.000 2.286 419 K HA -0.148 4.172 4.320 -0.000 0.000 0.203 419 K C 1.258 177.879 176.600 0.036 0.000 1.045 419 K CA 1.648 57.958 56.287 0.039 0.000 0.935 419 K CB -0.152 32.365 32.500 0.028 0.000 0.737 419 K HN 0.694 nan 8.250 nan 0.000 0.460 420 R N 0.342 120.866 120.500 0.040 0.000 2.586 420 R HA 0.257 4.597 4.340 -0.000 0.000 0.306 420 R C 1.525 177.849 176.300 0.041 0.000 1.079 420 R CA 0.183 56.307 56.100 0.040 0.000 1.083 420 R CB 0.398 30.725 30.300 0.046 0.000 1.306 420 R HN 0.282 nan 8.270 nan 0.000 0.567 421 A N 0.918 123.760 122.820 0.037 0.000 1.870 421 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 421 A C 2.108 179.708 177.584 0.026 0.000 1.224 421 A CA 2.208 54.263 52.037 0.030 0.000 0.650 421 A CB -0.996 18.023 19.000 0.032 0.000 0.836 421 A HN 0.494 nan 8.150 nan 0.000 0.454 422 G N -1.747 107.068 108.800 0.025 0.000 2.880 422 G HA2 0.046 4.006 3.960 -0.000 0.000 0.209 422 G HA3 0.046 4.006 3.960 -0.000 0.000 0.209 422 G C 1.059 175.974 174.900 0.024 0.000 1.157 422 G CA 0.977 46.090 45.100 0.021 0.000 0.779 422 G HN 0.526 nan 8.290 nan 0.000 0.539 423 D N 1.247 121.665 120.400 0.031 0.000 2.036 423 D HA -0.060 4.580 4.640 -0.000 0.000 0.236 423 D C 1.304 177.629 176.300 0.043 0.000 0.976 423 D CA 0.020 54.041 54.000 0.035 0.000 0.918 423 D CB -0.243 40.581 40.800 0.041 0.000 1.094 423 D HN 0.175 nan 8.370 nan 0.000 0.459 424 I N 1.585 122.195 120.570 0.067 0.000 2.738 424 I HA -0.277 3.893 4.170 -0.000 0.000 0.131 424 I C -0.111 176.047 176.117 0.068 0.000 0.883 424 I CA 0.411 61.772 61.300 0.103 0.000 2.779 424 I CB -0.388 37.692 38.000 0.134 0.000 0.558 424 I HN 0.291 nan 8.210 nan 0.000 0.352 425 Q N 7.220 127.048 119.800 0.046 0.000 2.333 425 Q HA 0.632 4.972 4.340 -0.000 0.000 0.268 425 Q C -0.485 175.441 176.000 -0.125 0.000 1.007 425 Q CA -0.928 54.852 55.803 -0.037 0.000 0.810 425 Q CB 2.030 30.735 28.738 -0.054 0.000 1.264 425 Q HN 0.589 nan 8.270 nan 0.000 0.452 426 L N 1.128 122.252 121.223 -0.166 0.000 2.461 426 L HA 0.148 4.487 4.340 -0.000 0.000 0.259 426 L C 0.636 177.064 176.870 -0.736 0.000 1.248 426 L CA -0.026 54.602 54.840 -0.353 0.000 0.823 426 L CB 0.089 42.047 42.059 -0.168 0.000 1.111 426 L HN 0.510 nan 8.230 nan 0.000 0.516 427 Q N 0.025 119.148 119.800 -1.128 0.000 2.274 427 Q HA 0.297 4.637 4.340 -0.000 0.000 0.268 427 Q C -1.485 174.212 176.000 -0.505 0.000 1.015 427 Q CA -0.754 54.471 55.803 -0.964 0.000 0.775 427 Q CB 2.065 29.854 28.738 -1.581 0.000 1.256 427 Q HN 0.287 nan 8.270 nan 0.000 0.442 428 Y N 0.462 120.564 120.300 -0.330 0.000 2.987 428 Y HA 0.058 4.607 4.550 -0.000 0.000 0.339 428 Y C 1.680 177.507 175.900 -0.122 0.000 1.272 428 Y CA 2.058 60.046 58.100 -0.186 0.000 1.562 428 Y CB 0.022 38.395 38.460 -0.145 0.000 1.253 428 Y HN 0.987 nan 8.280 nan 0.000 0.604 429 G N 0.050 108.920 108.800 0.118 0.000 2.254 429 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.225 429 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.225 429 G C -0.079 174.978 174.900 0.262 0.000 1.003 429 G CA -0.456 44.732 45.100 0.146 0.000 0.622 429 G HN 0.496 nan 8.290 nan 0.000 0.507 430 W N 1.713 123.007 121.300 -0.009 0.000 2.129 430 W HA 0.714 5.374 4.660 -0.000 0.000 0.349 430 W C 0.805 177.295 176.519 -0.048 0.000 1.279 430 W CA -0.506 56.823 57.345 -0.027 0.000 1.306 430 W CB 0.446 29.890 29.460 -0.025 0.000 1.140 430 W HN -0.005 nan 8.180 nan 0.000 0.613 431 K N 0.835 121.320 120.400 0.142 0.000 2.259 431 K HA 0.658 4.978 4.320 -0.000 0.000 0.249 431 K C -1.317 175.299 176.600 0.027 0.000 0.942 431 K CA -1.051 55.255 56.287 0.033 0.000 0.816 431 K CB 2.496 34.971 32.500 -0.042 0.000 1.155 431 K HN 0.062 nan 8.250 nan 0.000 0.428 432 V N 2.037 121.951 119.914 0.000 0.000 2.604 432 V HA 0.189 4.309 4.120 -0.000 0.000 0.305 432 V C -0.572 175.511 176.094 -0.019 0.000 1.043 432 V CA -0.859 61.448 62.300 0.012 0.000 0.888 432 V CB 1.912 33.751 31.823 0.027 0.000 0.995 432 V HN 0.692 nan 8.190 nan 0.000 0.429 433 E N 4.941 125.152 120.200 0.019 0.000 2.014 433 E HA 0.343 4.693 4.350 -0.000 0.000 0.275 433 E C -0.359 176.249 176.600 0.013 0.000 0.997 433 E CA -0.441 55.979 56.400 0.033 0.000 0.804 433 E CB 1.148 30.921 29.700 0.122 0.000 1.090 433 E HN 0.639 nan 8.360 nan 0.000 0.401 434 R N 1.730 122.248 120.500 0.031 0.000 2.596 434 R HA 0.405 4.745 4.340 -0.000 0.000 0.267 434 R C 0.110 176.438 176.300 0.048 0.000 1.026 434 R CA -0.842 55.263 56.100 0.008 0.000 1.087 434 R CB 0.898 31.238 30.300 0.067 0.000 1.132 434 R HN 0.393 nan 8.270 nan 0.000 0.531 435 H N 1.202 120.329 119.070 0.094 0.000 2.815 435 H HA 0.062 4.618 4.556 -0.000 0.000 0.350 435 H C 0.637 176.045 175.328 0.133 0.000 1.080 435 H CA -0.063 56.056 56.048 0.118 0.000 1.433 435 H CB 0.601 30.421 29.762 0.096 0.000 1.432 435 H HN 0.333 nan 8.280 nan 0.000 0.592 436 I N 3.663 124.404 120.570 0.286 0.000 2.815 436 I HA -0.104 4.065 4.170 -0.000 0.000 0.291 436 I C 1.017 177.249 176.117 0.192 0.000 1.209 436 I CA 0.866 62.276 61.300 0.185 0.000 1.431 436 I CB -0.364 37.720 38.000 0.141 0.000 1.351 436 I HN 0.452 nan 8.210 nan 0.000 0.585 437 M N 3.017 122.683 119.600 0.109 0.000 2.755 437 M HA 0.367 4.847 4.480 -0.000 0.000 0.298 437 M C -0.633 175.698 176.300 0.052 0.000 1.251 437 M CA -1.088 54.277 55.300 0.107 0.000 0.817 437 M CB 1.257 33.891 32.600 0.057 0.000 1.760 437 M HN 0.280 nan 8.290 nan 0.000 0.473 438 D N 1.950 122.382 120.400 0.053 0.000 2.488 438 D HA 0.091 4.731 4.640 -0.000 0.000 0.238 438 D C -0.313 175.979 176.300 -0.013 0.000 1.138 438 D CA 1.213 55.219 54.000 0.010 0.000 0.873 438 D CB 0.051 40.857 40.800 0.011 0.000 1.183 438 D HN 0.544 nan 8.370 nan 0.000 0.458 439 N N 1.191 119.872 118.700 -0.032 0.000 2.816 439 N HA -0.172 4.568 4.740 -0.000 0.000 0.247 439 N C -1.455 174.020 175.510 -0.059 0.000 1.100 439 N CA 0.488 53.514 53.050 -0.041 0.000 0.687 439 N CB -1.156 37.313 38.487 -0.030 0.000 1.003 439 N HN 0.432 nan 8.380 nan 0.000 0.554 440 D N 0.561 120.917 120.400 -0.073 0.000 2.303 440 D HA 0.302 4.942 4.640 -0.000 0.000 0.236 440 D C -2.230 174.005 176.300 -0.107 0.000 1.068 440 D CA -1.252 52.678 54.000 -0.117 0.000 0.830 440 D CB 1.378 42.106 40.800 -0.121 0.000 1.109 440 D HN 0.030 nan 8.370 nan 0.000 0.496 441 P HA 0.069 nan 4.420 nan 0.000 0.271 441 P C -0.784 176.467 177.300 -0.082 0.000 1.220 441 P CA -0.327 62.721 63.100 -0.087 0.000 0.768 441 P CB 0.886 32.535 31.700 -0.085 0.000 0.848 442 V N 1.633 121.514 119.914 -0.055 0.000 2.971 442 V HA 0.382 4.502 4.120 -0.000 0.000 0.309 442 V C -0.679 175.422 176.094 0.012 0.000 1.130 442 V CA -1.217 61.069 62.300 -0.023 0.000 0.964 442 V CB 2.475 34.275 31.823 -0.038 0.000 1.029 442 V HN 0.325 nan 8.190 nan 0.000 0.427 443 L N 3.989 125.259 121.223 0.079 0.000 2.325 443 L HA 0.483 4.823 4.340 -0.000 0.000 0.284 443 L C -0.979 176.049 176.870 0.263 0.000 1.089 443 L CA 0.218 55.138 54.840 0.132 0.000 0.836 443 L CB 0.666 42.811 42.059 0.143 0.000 1.184 443 L HN 0.852 nan 8.230 nan 0.000 0.444 444 F N 6.948 126.917 119.950 0.031 0.000 2.443 444 F HA 0.483 5.010 4.527 -0.000 0.000 0.335 444 F C 0.096 175.967 175.800 0.118 0.000 1.104 444 F CA -0.904 57.129 58.000 0.055 0.000 1.013 444 F CB 1.137 40.251 39.000 0.190 0.000 1.136 444 F HN 0.630 nan 8.300 nan 0.000 0.470 445 N N 4.806 123.393 118.700 -0.188 0.000 2.708 445 N HA 0.379 5.119 4.740 -0.000 0.000 0.257 445 N C -2.125 173.222 175.510 -0.272 0.000 1.373 445 N CA -0.771 52.224 53.050 -0.092 0.000 0.843 445 N CB 2.439 41.002 38.487 0.128 0.000 1.503 445 N HN 0.812 nan 8.380 nan 0.000 0.504 446 R N 1.415 121.882 120.500 -0.054 0.000 2.514 446 R HA 0.299 4.639 4.340 -0.000 0.000 0.296 446 R C -1.201 175.119 176.300 0.034 0.000 1.012 446 R CA -0.337 55.724 56.100 -0.064 0.000 0.897 446 R CB 1.145 31.395 30.300 -0.083 0.000 1.184 446 R HN 0.663 nan 8.270 nan 0.000 0.440 447 Q N 3.685 123.493 119.800 0.014 0.000 2.193 447 Q HA 0.451 4.790 4.340 -0.000 0.000 0.246 447 Q C -2.185 173.818 176.000 0.004 0.000 0.959 447 Q CA -1.921 53.893 55.803 0.020 0.000 0.904 447 Q CB 0.528 29.280 28.738 0.025 0.000 1.238 447 Q HN 0.468 nan 8.270 nan 0.000 0.469 448 P HA -0.032 nan 4.420 nan 0.000 0.261 448 P C -0.923 176.374 177.300 -0.005 0.000 1.183 448 P CA 0.157 63.253 63.100 -0.006 0.000 0.761 448 P CB 0.491 32.179 31.700 -0.020 0.000 0.785 449 S N 3.350 119.053 115.700 0.005 0.000 2.835 449 S HA 0.196 4.666 4.470 -0.000 0.000 0.286 449 S C 0.896 175.491 174.600 -0.008 0.000 1.194 449 S CA -0.537 57.671 58.200 0.013 0.000 1.031 449 S CB -0.428 62.787 63.200 0.026 0.000 1.216 449 S HN 0.372 nan 8.310 nan 0.000 0.502 450 L N -0.144 121.057 121.223 -0.037 0.000 2.910 450 L HA 0.543 4.883 4.340 -0.000 0.000 0.252 450 L C 0.244 177.097 176.870 -0.028 0.000 1.195 450 L CA -0.025 54.776 54.840 -0.065 0.000 1.003 450 L CB -0.858 41.129 42.059 -0.121 0.000 1.328 450 L HN 0.488 nan 8.230 nan 0.000 0.540 451 H N -0.746 118.276 119.070 -0.080 0.000 2.894 451 H HA 0.359 4.915 4.556 -0.000 0.000 0.368 451 H C 0.154 175.420 175.328 -0.103 0.000 1.181 451 H CA -0.879 55.106 56.048 -0.104 0.000 1.146 451 H CB 2.678 32.366 29.762 -0.122 0.000 1.839 451 H HN -0.094 nan 8.280 nan 0.000 0.557 452 K N 1.285 121.651 120.400 -0.057 0.000 2.155 452 K HA -0.058 4.262 4.320 -0.000 0.000 0.203 452 K C 0.936 177.455 176.600 -0.135 0.000 1.052 452 K CA 1.192 57.413 56.287 -0.111 0.000 0.948 452 K CB 0.213 32.617 32.500 -0.159 0.000 0.728 452 K HN 0.469 nan 8.250 nan 0.000 0.448 453 M N 0.121 119.594 119.600 -0.211 0.000 2.618 453 M HA 0.049 4.529 4.480 -0.000 0.000 0.240 453 M C 1.357 177.511 176.300 -0.245 0.000 1.123 453 M CA 0.606 55.748 55.300 -0.263 0.000 1.060 453 M CB 0.651 33.024 32.600 -0.378 0.000 1.535 453 M HN -0.149 nan 8.290 nan 0.000 0.507 454 S N 0.136 115.807 115.700 -0.050 0.000 2.607 454 S HA 0.241 4.711 4.470 -0.000 0.000 0.224 454 S C 0.533 175.224 174.600 0.151 0.000 0.969 454 S CA 0.639 58.863 58.200 0.040 0.000 0.927 454 S CB -0.124 63.121 63.200 0.075 0.000 0.772 454 S HN 0.429 nan 8.310 nan 0.000 0.533 455 M N 1.260 120.901 119.600 0.067 0.000 2.224 455 M HA 0.476 4.956 4.480 -0.000 0.000 0.281 455 M C -1.300 175.027 176.300 0.044 0.000 1.025 455 M CA 0.129 55.509 55.300 0.132 0.000 0.954 455 M CB 2.139 34.778 32.600 0.064 0.000 1.639 455 M HN 0.020 nan 8.290 nan 0.000 0.461 456 M N 1.807 121.462 119.600 0.093 0.000 2.484 456 M HA 0.710 5.189 4.480 -0.000 0.000 0.289 456 M C -0.705 175.456 176.300 -0.232 0.000 1.206 456 M CA -0.858 54.387 55.300 -0.091 0.000 0.892 456 M CB 2.517 35.037 32.600 -0.133 0.000 1.712 456 M HN 0.739 nan 8.290 nan 0.000 0.462 457 A N 1.859 124.543 122.820 -0.226 0.000 2.366 457 A HA 0.613 4.933 4.320 -0.000 0.000 0.272 457 A C -0.906 176.500 177.584 -0.296 0.000 1.135 457 A CA -0.214 51.703 52.037 -0.200 0.000 0.804 457 A CB 0.091 19.027 19.000 -0.107 0.000 1.064 457 A HN 0.799 nan 8.150 nan 0.000 0.499 458 H N 1.243 120.303 119.070 -0.017 0.000 2.731 458 H HA 0.408 4.963 4.556 -0.000 0.000 0.368 458 H C -0.336 174.929 175.328 -0.104 0.000 1.168 458 H CA -0.664 55.341 56.048 -0.070 0.000 1.181 458 H CB 1.280 30.949 29.762 -0.155 0.000 1.743 458 H HN 0.715 nan 8.280 nan 0.000 0.547 459 R N 0.681 121.210 120.500 0.049 0.000 2.340 459 R HA 0.290 4.630 4.340 -0.000 0.000 0.300 459 R C -0.376 175.883 176.300 -0.068 0.000 1.069 459 R CA -0.516 55.570 56.100 -0.024 0.000 0.984 459 R CB 0.806 31.090 30.300 -0.027 0.000 1.003 459 R HN 0.201 nan 8.270 nan 0.000 0.459 460 V N 4.150 124.017 119.914 -0.080 0.000 2.583 460 V HA 0.157 4.277 4.120 -0.000 0.000 0.287 460 V C 0.306 176.347 176.094 -0.088 0.000 1.051 460 V CA 0.119 62.354 62.300 -0.107 0.000 1.010 460 V CB 1.237 33.011 31.823 -0.082 0.000 0.988 460 V HN 0.538 nan 8.190 nan 0.000 0.478 461 K N 3.739 124.072 120.400 -0.111 0.000 2.640 461 K HA 0.385 4.705 4.320 -0.000 0.000 0.245 461 K C -1.210 175.336 176.600 -0.090 0.000 0.962 461 K CA -0.446 55.791 56.287 -0.084 0.000 0.896 461 K CB 1.895 34.339 32.500 -0.092 0.000 1.147 461 K HN 0.463 nan 8.250 nan 0.000 0.445 462 V N 5.373 125.241 119.914 -0.077 0.000 2.555 462 V HA 0.339 4.459 4.120 -0.000 0.000 0.286 462 V C 0.625 176.645 176.094 -0.124 0.000 1.044 462 V CA -0.561 61.656 62.300 -0.138 0.000 1.026 462 V CB -0.024 31.635 31.823 -0.272 0.000 0.981 462 V HN 0.623 nan 8.190 nan 0.000 0.480 463 I N 3.133 123.636 120.570 -0.111 0.000 3.174 463 I HA 0.841 5.010 4.170 -0.000 0.000 0.313 463 I C -2.725 173.339 176.117 -0.088 0.000 1.155 463 I CA -2.437 58.819 61.300 -0.073 0.000 0.977 463 I CB 1.937 39.925 38.000 -0.020 0.000 1.248 463 I HN 0.385 nan 8.210 nan 0.000 0.453 464 P HA 0.295 nan 4.420 nan 0.000 0.312 464 P C -1.299 175.950 177.300 -0.086 0.000 1.308 464 P CA -0.145 62.817 63.100 -0.231 0.000 0.743 464 P CB 0.152 31.564 31.700 -0.480 0.000 1.364 465 Y N -2.896 117.376 120.300 -0.047 0.000 2.525 465 Y HA -0.194 4.356 4.550 -0.000 0.000 0.028 465 Y C 1.071 176.943 175.900 -0.046 0.000 1.718 465 Y CA 0.255 58.329 58.100 -0.044 0.000 1.406 465 Y CB -2.230 36.204 38.460 -0.043 0.000 2.052 465 Y HN 0.190 nan 8.280 nan 0.000 0.257 466 S N 1.285 117.047 115.700 0.103 0.000 3.397 466 S HA 0.223 4.693 4.470 -0.000 0.000 0.242 466 S C 0.315 174.901 174.600 -0.024 0.000 1.173 466 S CA 0.580 58.789 58.200 0.016 0.000 1.225 466 S CB -0.959 62.239 63.200 -0.004 0.000 1.188 466 S HN 0.757 nan 8.310 nan 0.000 0.459 467 T N -2.016 112.543 114.554 0.008 0.000 3.012 467 T HA 0.506 4.855 4.350 -0.000 0.000 0.330 467 T C -0.574 174.202 174.700 0.126 0.000 1.321 467 T CA -0.870 61.216 62.100 -0.022 0.000 1.067 467 T CB 0.390 69.246 68.868 -0.021 0.000 1.235 467 T HN 0.165 nan 8.240 nan 0.000 0.479 468 F N 2.284 122.242 119.950 0.013 0.000 2.502 468 F HA 0.303 4.830 4.527 -0.000 0.000 0.371 468 F C 1.501 177.286 175.800 -0.026 0.000 1.083 468 F CA -0.894 57.106 58.000 -0.000 0.000 1.174 468 F CB 0.658 39.752 39.000 0.157 0.000 1.096 468 F HN 0.263 nan 8.300 nan 0.000 0.545 469 R N 5.755 126.301 120.500 0.076 0.000 2.233 469 R HA 0.348 4.688 4.340 -0.000 0.000 0.334 469 R C -0.943 175.304 176.300 -0.087 0.000 1.037 469 R CA -0.832 55.248 56.100 -0.033 0.000 0.920 469 R CB 0.798 31.065 30.300 -0.055 0.000 1.137 469 R HN 0.478 nan 8.270 nan 0.000 0.492 470 L N -0.392 120.822 121.223 -0.016 0.000 2.334 470 L HA 0.538 4.877 4.340 -0.000 0.000 0.272 470 L C 0.127 177.021 176.870 0.039 0.000 1.020 470 L CA -0.975 53.859 54.840 -0.011 0.000 0.812 470 L CB 0.704 42.874 42.059 0.185 0.000 1.264 470 L HN 0.231 nan 8.230 nan 0.000 0.439 471 N N 0.905 119.613 118.700 0.014 0.000 2.453 471 N HA 0.156 4.896 4.740 -0.000 0.000 0.253 471 N C 0.731 176.325 175.510 0.140 0.000 1.252 471 N CA 0.074 53.155 53.050 0.052 0.000 0.917 471 N CB 0.959 39.451 38.487 0.008 0.000 1.117 471 N HN 0.870 nan 8.380 nan 0.000 0.442 472 L N 1.509 122.825 121.223 0.155 0.000 2.005 472 L HA -0.129 4.211 4.340 -0.000 0.000 0.207 472 L C 2.279 179.240 176.870 0.151 0.000 1.072 472 L CA 0.971 55.928 54.840 0.196 0.000 0.744 472 L CB -0.506 41.667 42.059 0.190 0.000 0.895 472 L HN 0.520 nan 8.230 nan 0.000 0.433 473 S N -0.869 114.907 115.700 0.127 0.000 2.440 473 S HA -0.153 4.317 4.470 -0.000 0.000 0.240 473 S C 1.399 175.993 174.600 -0.009 0.000 1.014 473 S CA 0.964 59.217 58.200 0.088 0.000 0.980 473 S CB -0.186 63.069 63.200 0.092 0.000 0.775 473 S HN 0.258 nan 8.310 nan 0.000 0.499 474 V N 1.629 121.559 119.914 0.027 0.000 3.189 474 V HA 0.141 4.261 4.120 -0.000 0.000 0.366 474 V C 1.521 177.745 176.094 0.217 0.000 1.313 474 V CA 0.546 62.898 62.300 0.086 0.000 1.302 474 V CB -0.417 31.516 31.823 0.183 0.000 1.260 474 V HN 0.455 nan 8.190 nan 0.000 0.484 475 T N 0.143 114.789 114.554 0.153 0.000 2.755 475 T HA -0.116 4.234 4.350 -0.000 0.000 0.251 475 T C 2.174 176.939 174.700 0.108 0.000 1.044 475 T CA 1.923 64.113 62.100 0.150 0.000 1.154 475 T CB -0.105 68.810 68.868 0.078 0.000 0.866 475 T HN 0.790 nan 8.240 nan 0.000 0.416 476 S N 1.753 117.485 115.700 0.054 0.000 2.419 476 S HA -0.029 4.441 4.470 -0.000 0.000 0.235 476 S C -0.703 173.907 174.600 0.016 0.000 1.019 476 S CA 0.946 59.164 58.200 0.029 0.000 0.982 476 S CB -1.682 61.534 63.200 0.027 0.000 0.789 476 S HN 0.445 nan 8.310 nan 0.000 0.490 477 P HA -0.040 nan 4.420 nan 0.000 0.214 477 P C 0.884 178.106 177.300 -0.130 0.000 1.162 477 P CA 1.151 64.172 63.100 -0.133 0.000 0.879 477 P CB -0.187 31.304 31.700 -0.347 0.000 0.786 478 Y N -1.810 118.509 120.300 0.032 0.000 2.395 478 Y HA 0.025 4.575 4.550 -0.000 0.000 0.293 478 Y C 0.981 176.861 175.900 -0.033 0.000 1.123 478 Y CA 0.663 58.758 58.100 -0.007 0.000 1.227 478 Y CB -0.671 37.763 38.460 -0.042 0.000 1.012 478 Y HN 0.012 nan 8.280 nan 0.000 0.552 479 N N -0.150 118.619 118.700 0.115 0.000 2.806 479 N HA -0.145 4.594 4.740 -0.000 0.000 0.248 479 N C -0.816 174.692 175.510 -0.002 0.000 1.081 479 N CA 0.032 53.098 53.050 0.027 0.000 0.680 479 N CB -1.022 37.457 38.487 -0.012 0.000 0.941 479 N HN 0.316 nan 8.380 nan 0.000 0.554 480 A N 0.850 123.662 122.820 -0.013 0.000 2.313 480 A HA 0.768 5.088 4.320 -0.000 0.000 0.323 480 A C -0.333 177.076 177.584 -0.292 0.000 1.133 480 A CA 0.049 52.019 52.037 -0.112 0.000 0.847 480 A CB 1.186 20.135 19.000 -0.085 0.000 1.308 480 A HN 0.591 nan 8.150 nan 0.000 0.475 481 D N -2.058 118.107 120.400 -0.392 0.000 2.652 481 D HA 0.503 5.143 4.640 -0.000 0.000 0.285 481 D C -0.786 175.136 176.300 -0.630 0.000 1.173 481 D CA -0.446 53.188 54.000 -0.610 0.000 0.981 481 D CB 0.474 41.112 40.800 -0.270 0.000 1.440 481 D HN 0.248 nan 8.370 nan 0.000 0.485 482 F N -0.423 119.539 119.950 0.019 0.000 2.684 482 F HA 0.166 4.693 4.527 -0.000 0.000 0.298 482 F C 0.733 176.535 175.800 0.002 0.000 1.120 482 F CA -0.733 57.274 58.000 0.012 0.000 1.332 482 F CB 0.332 39.341 39.000 0.015 0.000 0.986 482 F HN 0.234 nan 8.300 nan 0.000 0.524 483 D N -0.249 120.202 120.400 0.085 0.000 2.395 483 D HA 0.188 4.827 4.640 -0.000 0.000 0.250 483 D C 1.625 177.952 176.300 0.045 0.000 1.203 483 D CA 0.604 54.638 54.000 0.057 0.000 0.872 483 D CB -0.001 40.810 40.800 0.018 0.000 0.941 483 D HN 0.405 nan 8.370 nan 0.000 0.504 484 G N -0.346 108.494 108.800 0.067 0.000 2.296 484 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.188 484 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.188 484 G C -0.251 174.668 174.900 0.032 0.000 1.000 484 G CA -0.354 44.770 45.100 0.039 0.000 0.672 484 G HN 0.358 nan 8.290 nan 0.000 0.483 485 D N 1.767 122.189 120.400 0.037 0.000 2.601 485 D HA 0.384 5.024 4.640 -0.000 0.000 0.229 485 D C 0.718 177.035 176.300 0.028 0.000 1.140 485 D CA 0.971 54.982 54.000 0.019 0.000 0.862 485 D CB 0.548 41.349 40.800 0.002 0.000 1.192 485 D HN 0.576 nan 8.370 nan 0.000 0.480 486 E N 0.938 121.137 120.200 -0.001 0.000 2.235 486 E HA 0.537 4.887 4.350 -0.000 0.000 0.265 486 E C -0.293 176.295 176.600 -0.020 0.000 0.940 486 E CA -0.879 55.513 56.400 -0.013 0.000 0.819 486 E CB 1.628 31.309 29.700 -0.031 0.000 1.206 486 E HN 0.247 nan 8.360 nan 0.000 0.409 487 M N 1.766 121.375 119.600 0.015 0.000 2.393 487 M HA 0.382 4.862 4.480 -0.000 0.000 0.299 487 M C -1.171 175.222 176.300 0.154 0.000 1.103 487 M CA -0.940 54.352 55.300 -0.014 0.000 0.910 487 M CB 1.854 34.383 32.600 -0.119 0.000 1.659 487 M HN 0.390 nan 8.290 nan 0.000 0.445 488 N N 1.978 120.708 118.700 0.050 0.000 2.498 488 N HA 0.696 5.435 4.740 -0.000 0.000 0.287 488 N C -1.225 174.387 175.510 0.170 0.000 1.097 488 N CA -0.463 52.653 53.050 0.109 0.000 0.973 488 N CB 1.333 39.856 38.487 0.060 0.000 1.153 488 N HN 0.512 nan 8.380 nan 0.000 0.472 489 L N 1.966 123.266 121.223 0.128 0.000 2.385 489 L HA 0.472 4.812 4.340 -0.000 0.000 0.273 489 L C -1.233 175.540 176.870 -0.163 0.000 0.990 489 L CA -0.476 54.423 54.840 0.098 0.000 0.821 489 L CB 1.139 43.212 42.059 0.024 0.000 1.279 489 L HN 0.580 nan 8.230 nan 0.000 0.412 490 H N 3.701 122.853 119.070 0.137 0.000 2.569 490 H HA 0.608 5.164 4.556 -0.000 0.000 0.357 490 H C -1.178 174.205 175.328 0.091 0.000 1.153 490 H CA -0.721 55.400 56.048 0.122 0.000 1.193 490 H CB 2.504 32.325 29.762 0.099 0.000 1.602 490 H HN 0.389 nan 8.280 nan 0.000 0.523 491 V N 5.453 125.499 119.914 0.220 0.000 2.378 491 V HA 0.168 4.287 4.120 -0.000 0.000 0.288 491 V C -1.843 174.275 176.094 0.041 0.000 1.016 491 V CA -1.600 60.771 62.300 0.119 0.000 0.840 491 V CB 1.646 33.565 31.823 0.160 0.000 0.994 491 V HN 0.637 nan 8.190 nan 0.000 0.431 492 P HA 0.004 nan 4.420 nan 0.000 0.271 492 P C -0.450 176.837 177.300 -0.023 0.000 1.228 492 P CA 0.272 63.356 63.100 -0.026 0.000 0.797 492 P CB 1.351 33.019 31.700 -0.052 0.000 0.914 493 Q N -0.952 118.855 119.800 0.012 0.000 2.167 493 Q HA 0.165 4.505 4.340 -0.000 0.000 0.251 493 Q C 0.749 176.829 176.000 0.134 0.000 0.768 493 Q CA 0.192 56.017 55.803 0.036 0.000 0.944 493 Q CB 0.405 28.987 28.738 -0.260 0.000 1.179 493 Q HN 0.463 nan 8.270 nan 0.000 0.478 494 S N -0.716 115.042 115.700 0.097 0.000 2.713 494 S HA 0.248 4.718 4.470 -0.000 0.000 0.283 494 S C 0.744 175.430 174.600 0.144 0.000 1.161 494 S CA -0.305 57.941 58.200 0.077 0.000 0.999 494 S CB 1.269 64.486 63.200 0.027 0.000 1.039 494 S HN 0.203 nan 8.310 nan 0.000 0.548 495 E N 0.849 121.118 120.200 0.115 0.000 2.208 495 E HA -0.096 4.254 4.350 -0.000 0.000 0.193 495 E C 1.682 178.319 176.600 0.061 0.000 0.988 495 E CA 1.832 58.300 56.400 0.114 0.000 0.828 495 E CB -0.017 29.738 29.700 0.091 0.000 0.763 495 E HN 0.761 nan 8.360 nan 0.000 0.478 496 E N -1.559 118.670 120.200 0.047 0.000 2.102 496 E HA -0.043 4.307 4.350 -0.000 0.000 0.190 496 E C 1.967 178.578 176.600 0.019 0.000 0.971 496 E CA 1.083 57.503 56.400 0.032 0.000 0.821 496 E CB -0.518 29.203 29.700 0.035 0.000 0.777 496 E HN -0.038 nan 8.360 nan 0.000 0.460 497 T N 1.368 115.934 114.554 0.019 0.000 2.620 497 T HA -0.222 4.128 4.350 -0.000 0.000 0.267 497 T C 1.847 176.540 174.700 -0.011 0.000 1.044 497 T CA 2.237 64.339 62.100 0.003 0.000 1.161 497 T CB -0.253 68.619 68.868 0.007 0.000 0.862 497 T HN 0.227 nan 8.240 nan 0.000 0.438 498 R N 0.998 121.489 120.500 -0.014 0.000 2.082 498 R HA -0.057 4.282 4.340 -0.000 0.000 0.234 498 R C 2.846 179.124 176.300 -0.038 0.000 1.136 498 R CA 1.478 57.548 56.100 -0.050 0.000 0.935 498 R CB -0.768 29.480 30.300 -0.087 0.000 0.842 498 R HN 0.388 nan 8.270 nan 0.000 0.430 499 A N 1.446 124.255 122.820 -0.018 0.000 1.903 499 A HA -0.284 4.036 4.320 -0.000 0.000 0.219 499 A C 2.103 179.678 177.584 -0.016 0.000 1.191 499 A CA 1.876 53.906 52.037 -0.012 0.000 0.638 499 A CB -0.650 18.354 19.000 0.006 0.000 0.823 499 A HN 0.478 nan 8.150 nan 0.000 0.451 500 E N -0.721 119.472 120.200 -0.013 0.000 2.209 500 E HA -0.161 4.189 4.350 -0.000 0.000 0.196 500 E C 1.869 178.447 176.600 -0.036 0.000 0.993 500 E CA 0.935 57.322 56.400 -0.020 0.000 0.819 500 E CB -0.156 29.532 29.700 -0.019 0.000 0.745 500 E HN 0.662 nan 8.360 nan 0.000 0.477 501 L N -0.021 121.179 121.223 -0.038 0.000 2.179 501 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 501 L C 2.480 179.318 176.870 -0.053 0.000 1.096 501 L CA 1.178 55.989 54.840 -0.047 0.000 0.779 501 L CB -0.024 42.008 42.059 -0.046 0.000 0.922 501 L HN 0.187 nan 8.230 nan 0.000 0.443 502 S N -2.340 113.332 115.700 -0.047 0.000 2.470 502 S HA -0.038 4.432 4.470 -0.000 0.000 0.222 502 S C 1.738 176.314 174.600 -0.040 0.000 1.024 502 S CA -0.127 58.046 58.200 -0.045 0.000 0.931 502 S CB 0.075 63.251 63.200 -0.040 0.000 0.791 502 S HN 0.270 nan 8.310 nan 0.000 0.513 503 Q N 0.354 120.132 119.800 -0.036 0.000 2.398 503 Q HA 0.370 4.710 4.340 -0.000 0.000 0.204 503 Q C 1.001 176.972 176.000 -0.048 0.000 0.932 503 Q CA 0.603 56.386 55.803 -0.033 0.000 0.916 503 Q CB -0.011 28.716 28.738 -0.019 0.000 1.024 503 Q HN 0.531 nan 8.270 nan 0.000 0.504 504 L N -2.604 118.583 121.223 -0.059 0.000 3.017 504 L HA 0.124 4.463 4.340 -0.000 0.000 0.265 504 L C 1.184 178.003 176.870 -0.086 0.000 1.128 504 L CA 0.431 55.224 54.840 -0.078 0.000 0.984 504 L CB 0.346 42.356 42.059 -0.082 0.000 1.464 504 L HN -0.017 nan 8.230 nan 0.000 0.556 505 C N 0.235 119.488 119.300 -0.080 0.000 3.183 505 C HA 0.685 5.145 4.460 -0.000 0.000 0.285 505 C C 1.378 176.308 174.990 -0.099 0.000 1.313 505 C CA -1.059 57.904 59.018 -0.090 0.000 1.711 505 C CB -1.039 26.653 27.740 -0.081 0.000 2.135 505 C HN 0.316 nan 8.230 nan 0.000 0.651 506 A N 1.220 123.991 122.820 -0.082 0.000 2.531 506 A HA 0.355 4.675 4.320 -0.000 0.000 0.236 506 A C 1.421 178.957 177.584 -0.081 0.000 1.062 506 A CA 0.237 52.228 52.037 -0.075 0.000 0.760 506 A CB 0.335 19.305 19.000 -0.050 0.000 0.995 506 A HN 0.270 nan 8.150 nan 0.000 0.501 507 V N 3.519 123.390 119.914 -0.072 0.000 2.324 507 V HA -0.200 3.919 4.120 -0.000 0.000 0.250 507 V C -0.387 175.667 176.094 -0.068 0.000 1.060 507 V CA 2.717 64.984 62.300 -0.057 0.000 1.042 507 V CB -1.563 30.288 31.823 0.046 0.000 0.650 507 V HN 0.811 nan 8.190 nan 0.000 0.450 508 P HA -0.120 nan 4.420 nan 0.000 0.216 508 P C 1.846 179.121 177.300 -0.041 0.000 1.150 508 P CA 1.305 64.383 63.100 -0.036 0.000 0.837 508 P CB -0.068 31.625 31.700 -0.011 0.000 0.786 509 L N -1.067 120.124 121.223 -0.054 0.000 2.141 509 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 509 L C 2.238 179.054 176.870 -0.090 0.000 1.094 509 L CA 1.100 55.901 54.840 -0.064 0.000 0.763 509 L CB -0.865 41.151 42.059 -0.071 0.000 0.908 509 L HN -0.020 nan 8.230 nan 0.000 0.437 510 Q N -0.032 119.704 119.800 -0.106 0.000 2.435 510 Q HA -0.000 4.339 4.340 -0.000 0.000 0.207 510 Q C 2.224 178.141 176.000 -0.137 0.000 0.956 510 Q CA 0.801 56.521 55.803 -0.138 0.000 0.917 510 Q CB -0.046 28.596 28.738 -0.161 0.000 0.997 510 Q HN 0.591 nan 8.270 nan 0.000 0.497 511 I N -0.124 120.384 120.570 -0.103 0.000 2.300 511 I HA -0.180 3.989 4.170 -0.000 0.000 0.252 511 I C 1.031 177.086 176.117 -0.104 0.000 1.119 511 I CA 0.816 62.069 61.300 -0.079 0.000 1.384 511 I CB -0.053 37.945 38.000 -0.003 0.000 1.062 511 I HN -0.084 nan 8.210 nan 0.000 0.426 512 V N 1.254 121.089 119.914 -0.132 0.000 2.311 512 V HA 0.199 4.318 4.120 -0.000 0.000 0.275 512 V C 0.217 176.204 176.094 -0.179 0.000 1.022 512 V CA -0.365 61.822 62.300 -0.189 0.000 0.830 512 V CB 1.387 33.097 31.823 -0.187 0.000 1.012 512 V HN 0.198 nan 8.190 nan 0.000 0.452 513 S N 9.414 125.008 115.700 -0.176 0.000 2.455 513 S HA 0.346 4.816 4.470 -0.000 0.000 0.278 513 S C -0.887 173.642 174.600 -0.118 0.000 1.216 513 S CA -0.935 57.163 58.200 -0.171 0.000 1.055 513 S CB 1.203 64.288 63.200 -0.191 0.000 0.939 513 S HN 0.759 nan 8.310 nan 0.000 0.494 514 P HA -0.196 nan 4.420 nan 0.000 0.222 514 P C 1.109 178.474 177.300 0.109 0.000 1.147 514 P CA 1.067 64.168 63.100 0.002 0.000 0.790 514 P CB -0.009 31.698 31.700 0.011 0.000 0.780 515 Q N 0.814 120.607 119.800 -0.012 0.000 2.119 515 Q HA -0.068 4.272 4.340 -0.000 0.000 0.201 515 Q C 1.304 177.262 176.000 -0.070 0.000 0.972 515 Q CA 1.812 57.565 55.803 -0.083 0.000 0.847 515 Q CB -0.784 27.804 28.738 -0.249 0.000 0.903 515 Q HN 0.238 nan 8.270 nan 0.000 0.433 516 S N 0.295 115.940 115.700 -0.091 0.000 2.843 516 S HA 0.176 4.645 4.470 -0.000 0.000 0.249 516 S C -0.245 174.375 174.600 0.034 0.000 1.047 516 S CA -0.267 57.841 58.200 -0.152 0.000 1.042 516 S CB -0.415 62.727 63.200 -0.098 0.000 0.936 516 S HN 0.594 nan 8.310 nan 0.000 0.531 517 N N 1.952 120.682 118.700 0.049 0.000 2.685 517 N HA -0.316 4.424 4.740 -0.000 0.000 0.251 517 N C -0.356 175.224 175.510 0.117 0.000 1.020 517 N CA 1.820 54.930 53.050 0.100 0.000 0.762 517 N CB -1.855 36.742 38.487 0.183 0.000 0.958 517 N HN 0.932 nan 8.380 nan 0.000 0.539 518 K N -3.378 117.014 120.400 -0.014 0.000 2.509 518 K HA 0.623 4.943 4.320 -0.000 0.000 0.266 518 K C -3.180 173.257 176.600 -0.271 0.000 0.987 518 K CA -2.140 54.057 56.287 -0.150 0.000 0.868 518 K CB 2.580 35.127 32.500 0.078 0.000 1.421 518 K HN -0.130 nan 8.250 nan 0.000 0.444 519 P HA -0.081 nan 4.420 nan 0.000 0.278 519 P C 0.388 177.631 177.300 -0.095 0.000 1.270 519 P CA -0.126 62.853 63.100 -0.202 0.000 0.800 519 P CB 0.248 31.885 31.700 -0.106 0.000 1.142 520 C N -3.167 116.096 119.300 -0.061 0.000 3.613 520 C HA 0.633 5.093 4.460 -0.000 0.000 0.277 520 C C -0.277 174.701 174.990 -0.020 0.000 2.235 520 C CA -0.538 58.452 59.018 -0.046 0.000 1.657 520 C CB -1.354 26.325 27.740 -0.103 0.000 3.412 520 C HN 0.365 nan 8.230 nan 0.000 0.432 521 M N 1.310 120.928 119.600 0.030 0.000 2.255 521 M HA 0.613 5.093 4.480 -0.000 0.000 0.275 521 M C 0.003 176.455 176.300 0.253 0.000 1.050 521 M CA 0.187 55.525 55.300 0.064 0.000 0.978 521 M CB 2.020 34.572 32.600 -0.080 0.000 1.761 521 M HN 0.406 nan 8.290 nan 0.000 0.479 522 G N 2.570 111.524 108.800 0.256 0.000 3.262 522 G HA2 0.846 4.805 3.960 -0.000 0.000 0.229 522 G HA3 0.846 4.805 3.960 -0.000 0.000 0.229 522 G C -1.084 174.004 174.900 0.314 0.000 1.280 522 G CA -0.770 44.502 45.100 0.287 0.000 0.951 522 G HN 0.614 nan 8.290 nan 0.000 0.589 523 I N 1.629 122.291 120.570 0.154 0.000 2.304 523 I HA 0.291 4.460 4.170 -0.000 0.000 0.291 523 I C 0.140 176.315 176.117 0.098 0.000 1.018 523 I CA -0.507 60.871 61.300 0.129 0.000 1.260 523 I CB 1.195 39.216 38.000 0.035 0.000 1.390 523 I HN 0.032 nan 8.210 nan 0.000 0.475 524 V N 5.059 125.040 119.914 0.113 0.000 3.463 524 V HA 0.306 4.425 4.120 -0.000 0.000 0.302 524 V C 0.901 177.041 176.094 0.076 0.000 1.097 524 V CA -0.657 61.695 62.300 0.086 0.000 1.003 524 V CB 0.628 32.504 31.823 0.089 0.000 1.229 524 V HN 0.861 nan 8.190 nan 0.000 0.444 525 Q N -0.221 119.620 119.800 0.069 0.000 2.603 525 Q HA -0.385 3.954 4.340 -0.000 0.000 0.477 525 Q C 1.429 177.462 176.000 0.056 0.000 0.570 525 Q CA 2.232 58.076 55.803 0.068 0.000 0.969 525 Q CB -0.886 27.905 28.738 0.088 0.000 2.444 525 Q HN 0.905 nan 8.270 nan 0.000 1.076 526 D N -0.333 120.111 120.400 0.073 0.000 2.204 526 D HA -0.183 4.457 4.640 -0.000 0.000 0.189 526 D C 1.994 178.324 176.300 0.050 0.000 1.006 526 D CA 2.431 56.469 54.000 0.064 0.000 0.855 526 D CB -0.633 40.221 40.800 0.089 0.000 0.946 526 D HN 0.510 nan 8.370 nan 0.000 0.448 527 T N 0.540 115.136 114.554 0.070 0.000 2.720 527 T HA -0.173 4.177 4.350 -0.000 0.000 0.268 527 T C 1.852 176.563 174.700 0.019 0.000 1.037 527 T CA 1.135 63.273 62.100 0.063 0.000 1.144 527 T CB -0.417 68.503 68.868 0.086 0.000 0.864 527 T HN 0.078 nan 8.240 nan 0.000 0.444 528 L N 1.266 122.498 121.223 0.016 0.000 1.961 528 L HA 0.015 4.355 4.340 -0.000 0.000 0.209 528 L C 2.728 179.569 176.870 -0.049 0.000 1.075 528 L CA 1.491 56.323 54.840 -0.013 0.000 0.749 528 L CB -1.526 40.534 42.059 0.003 0.000 0.890 528 L HN 0.408 nan 8.230 nan 0.000 0.433 529 C N 0.543 119.807 119.300 -0.060 0.000 2.363 529 C HA -0.231 4.229 4.460 -0.000 0.000 0.274 529 C C 2.823 177.711 174.990 -0.171 0.000 1.183 529 C CA 1.475 60.407 59.018 -0.143 0.000 1.771 529 C CB -1.745 25.870 27.740 -0.208 0.000 2.059 529 C HN 0.777 nan 8.230 nan 0.000 0.455 530 G N -0.505 108.233 108.800 -0.103 0.000 2.402 530 G HA2 -0.147 3.812 3.960 -0.000 0.000 0.216 530 G HA3 -0.147 3.812 3.960 -0.000 0.000 0.216 530 G C 1.613 176.443 174.900 -0.116 0.000 1.162 530 G CA 0.775 45.861 45.100 -0.023 0.000 0.777 530 G HN 0.671 nan 8.290 nan 0.000 0.539 531 I N 0.529 121.029 120.570 -0.116 0.000 2.315 531 I HA -0.233 3.937 4.170 -0.000 0.000 0.251 531 I C 2.765 178.762 176.117 -0.199 0.000 1.125 531 I CA 1.569 62.763 61.300 -0.176 0.000 1.392 531 I CB -0.083 37.847 38.000 -0.118 0.000 1.065 531 I HN 0.230 nan 8.210 nan 0.000 0.424 532 R N 1.118 121.528 120.500 -0.150 0.000 2.061 532 R HA -0.194 4.146 4.340 -0.000 0.000 0.230 532 R C 2.290 178.506 176.300 -0.141 0.000 1.140 532 R CA 1.568 57.592 56.100 -0.128 0.000 0.940 532 R CB -0.200 30.043 30.300 -0.094 0.000 0.839 532 R HN 0.287 nan 8.270 nan 0.000 0.429 533 K N 0.684 121.008 120.400 -0.126 0.000 1.977 533 K HA -0.220 4.100 4.320 -0.000 0.000 0.218 533 K C 2.144 178.614 176.600 -0.216 0.000 1.051 533 K CA 1.775 58.024 56.287 -0.064 0.000 0.953 533 K CB -0.713 31.859 32.500 0.120 0.000 0.727 533 K HN 0.170 nan 8.250 nan 0.000 0.445 534 L N 1.752 122.614 121.223 -0.603 0.000 2.283 534 L HA -0.244 4.096 4.340 -0.000 0.000 0.217 534 L C 1.913 178.514 176.870 -0.450 0.000 1.104 534 L CA 1.882 56.194 54.840 -0.881 0.000 0.772 534 L CB -0.539 40.774 42.059 -1.245 0.000 0.899 534 L HN 0.213 nan 8.230 nan 0.000 0.439 535 T N -0.575 113.798 114.554 -0.301 0.000 2.937 535 T HA 0.111 4.461 4.350 -0.000 0.000 0.260 535 T C 0.890 175.494 174.700 -0.160 0.000 1.051 535 T CA -0.027 61.946 62.100 -0.211 0.000 1.141 535 T CB -0.255 68.514 68.868 -0.165 0.000 0.879 535 T HN 0.172 nan 8.240 nan 0.000 0.459 536 L N 2.014 123.166 121.223 -0.118 0.000 2.581 536 L HA -0.047 4.292 4.340 -0.000 0.000 0.299 536 L C 1.842 178.653 176.870 -0.099 0.000 1.261 536 L CA 0.051 54.850 54.840 -0.068 0.000 0.866 536 L CB 0.335 42.383 42.059 -0.019 0.000 1.113 536 L HN 0.141 nan 8.230 nan 0.000 0.514 537 R N 1.121 121.590 120.500 -0.051 0.000 2.127 537 R HA -0.166 4.174 4.340 -0.000 0.000 0.238 537 R C 1.055 177.340 176.300 -0.026 0.000 1.134 537 R CA 1.452 57.520 56.100 -0.053 0.000 0.975 537 R CB -0.215 30.111 30.300 0.043 0.000 0.865 537 R HN 0.681 nan 8.270 nan 0.000 0.447 538 D N -0.086 120.352 120.400 0.064 0.000 2.348 538 D HA -0.041 4.598 4.640 -0.000 0.000 0.216 538 D C 0.135 176.555 176.300 0.199 0.000 0.970 538 D CA 0.917 55.035 54.000 0.197 0.000 0.889 538 D CB 0.045 40.936 40.800 0.153 0.000 0.912 538 D HN 0.026 nan 8.370 nan 0.000 0.524 539 T N 1.287 115.821 114.554 -0.034 0.000 2.727 539 T HA 0.280 4.630 4.350 -0.000 0.000 0.295 539 T C -0.221 174.342 174.700 -0.227 0.000 0.915 539 T CA -0.087 62.010 62.100 -0.006 0.000 1.066 539 T CB -0.084 68.755 68.868 -0.048 0.000 0.891 539 T HN -0.177 nan 8.240 nan 0.000 0.516 540 F N 2.658 122.706 119.950 0.164 0.000 2.563 540 F HA 0.669 5.196 4.527 -0.000 0.000 0.316 540 F C 0.099 176.032 175.800 0.222 0.000 1.076 540 F CA -1.218 56.882 58.000 0.167 0.000 0.921 540 F CB 1.561 40.631 39.000 0.117 0.000 1.209 540 F HN 0.309 nan 8.300 nan 0.000 0.462 541 I N 2.347 123.183 120.570 0.444 0.000 2.582 541 I HA 0.323 4.493 4.170 -0.000 0.000 0.292 541 I C -0.752 175.637 176.117 0.455 0.000 1.066 541 I CA -0.871 60.655 61.300 0.377 0.000 1.053 541 I CB 2.100 40.287 38.000 0.312 0.000 1.241 541 I HN 0.557 nan 8.210 nan 0.000 0.421 542 E N 5.301 125.701 120.200 0.332 0.000 2.250 542 E HA 0.183 4.533 4.350 -0.000 0.000 0.265 542 E C 0.755 177.498 176.600 0.238 0.000 1.033 542 E CA -0.711 55.920 56.400 0.385 0.000 0.888 542 E CB 1.881 31.722 29.700 0.234 0.000 1.151 542 E HN 0.492 nan 8.360 nan 0.000 0.412 543 L N 2.095 123.522 121.223 0.341 0.000 2.040 543 L HA -0.359 3.981 4.340 -0.000 0.000 0.228 543 L C 2.017 178.824 176.870 -0.104 0.000 1.092 543 L CA 3.046 57.877 54.840 -0.015 0.000 0.805 543 L CB -1.020 41.155 42.059 0.194 0.000 0.905 543 L HN 0.889 nan 8.230 nan 0.000 0.443 544 D N -1.250 119.144 120.400 -0.010 0.000 2.149 544 D HA -0.345 4.295 4.640 -0.000 0.000 0.194 544 D C 1.962 178.224 176.300 -0.063 0.000 1.001 544 D CA 2.355 56.335 54.000 -0.032 0.000 0.849 544 D CB -0.471 40.324 40.800 -0.007 0.000 0.939 544 D HN 0.760 nan 8.370 nan 0.000 0.449 545 Q N -0.030 119.741 119.800 -0.049 0.000 2.259 545 Q HA 0.022 4.361 4.340 -0.000 0.000 0.201 545 Q C 2.417 178.337 176.000 -0.132 0.000 0.938 545 Q CA 0.201 55.984 55.803 -0.034 0.000 0.872 545 Q CB 0.374 29.142 28.738 0.050 0.000 0.971 545 Q HN 0.116 nan 8.270 nan 0.000 0.494 546 V N 1.482 121.257 119.914 -0.232 0.000 2.828 546 V HA -0.260 3.860 4.120 -0.000 0.000 0.260 546 V C 2.010 177.810 176.094 -0.489 0.000 1.101 546 V CA 1.289 63.319 62.300 -0.450 0.000 1.123 546 V CB -0.430 30.803 31.823 -0.982 0.000 0.704 546 V HN 0.377 nan 8.190 nan 0.000 0.493 547 L N -0.682 120.317 121.223 -0.372 0.000 2.130 547 L HA 0.013 4.353 4.340 -0.000 0.000 0.200 547 L C 2.233 178.932 176.870 -0.285 0.000 1.075 547 L CA 1.005 55.644 54.840 -0.335 0.000 0.768 547 L CB -0.683 41.248 42.059 -0.213 0.000 0.933 547 L HN 0.263 nan 8.230 nan 0.000 0.451 548 N N -0.031 118.540 118.700 -0.214 0.000 2.519 548 N HA -0.151 4.589 4.740 -0.000 0.000 0.186 548 N C 1.701 176.935 175.510 -0.460 0.000 1.062 548 N CA 1.212 54.134 53.050 -0.214 0.000 0.910 548 N CB 0.012 38.425 38.487 -0.124 0.000 0.958 548 N HN 0.378 nan 8.380 nan 0.000 0.445 549 M N -0.228 119.112 119.600 -0.434 0.000 2.325 549 M HA 0.075 4.555 4.480 -0.000 0.000 0.265 549 M C 1.746 177.826 176.300 -0.366 0.000 1.094 549 M CA 0.652 55.675 55.300 -0.462 0.000 1.161 549 M CB 0.215 32.642 32.600 -0.288 0.000 1.358 549 M HN 0.005 nan 8.290 nan 0.000 0.446 550 L N -1.304 119.621 121.223 -0.496 0.000 2.141 550 L HA -0.226 4.114 4.340 -0.000 0.000 0.209 550 L C 2.383 178.956 176.870 -0.495 0.000 1.094 550 L CA 0.996 55.365 54.840 -0.784 0.000 0.763 550 L CB -0.774 40.387 42.059 -1.497 0.000 0.908 550 L HN 0.297 nan 8.230 nan 0.000 0.437 551 Y N -0.362 119.713 120.300 -0.374 0.000 2.224 551 Y HA -0.260 4.290 4.550 -0.000 0.000 0.289 551 Y C 2.063 178.035 175.900 0.121 0.000 1.146 551 Y CA 1.094 59.176 58.100 -0.030 0.000 1.182 551 Y CB -0.416 38.065 38.460 0.036 0.000 0.983 551 Y HN 0.114 nan 8.280 nan 0.000 0.524 552 W N 0.026 121.173 121.300 -0.255 0.000 2.525 552 W HA 0.034 4.694 4.660 -0.000 0.000 0.259 552 W C 0.330 176.735 176.519 -0.191 0.000 1.253 552 W CA 0.588 57.770 57.345 -0.273 0.000 1.262 552 W CB -0.663 28.623 29.460 -0.289 0.000 1.122 552 W HN -0.339 nan 8.180 nan 0.000 0.607 553 V N 4.475 124.401 119.914 0.020 0.000 2.372 553 V HA 0.017 4.137 4.120 -0.000 0.000 0.261 553 V C -0.703 175.413 176.094 0.037 0.000 1.055 553 V CA -1.032 61.280 62.300 0.020 0.000 0.930 553 V CB 0.860 32.700 31.823 0.028 0.000 1.031 553 V HN -0.139 nan 8.190 nan 0.000 0.479 554 P HA -0.159 nan 4.420 nan 0.000 0.216 554 P C 0.776 178.098 177.300 0.038 0.000 1.150 554 P CA 1.291 64.365 63.100 -0.043 0.000 0.837 554 P CB 0.426 32.074 31.700 -0.087 0.000 0.786 555 D N -2.013 118.426 120.400 0.065 0.000 2.363 555 D HA -0.069 4.571 4.640 -0.000 0.000 0.220 555 D C 0.553 176.933 176.300 0.133 0.000 0.994 555 D CA -0.012 54.031 54.000 0.073 0.000 0.890 555 D CB -0.411 40.424 40.800 0.058 0.000 0.906 555 D HN 0.175 nan 8.370 nan 0.000 0.530 556 W N 4.647 125.940 121.300 -0.012 0.000 2.513 556 W HA -0.131 4.529 4.660 -0.000 0.000 0.339 556 W C 1.265 177.792 176.519 0.014 0.000 1.257 556 W CA -0.409 56.940 57.345 0.006 0.000 1.280 556 W CB 0.282 29.755 29.460 0.021 0.000 1.214 556 W HN 0.046 nan 8.180 nan 0.000 0.567 557 D N 3.685 123.878 120.400 -0.345 0.000 2.354 557 D HA -0.107 4.533 4.640 -0.000 0.000 0.216 557 D C 1.500 177.335 176.300 -0.775 0.000 0.970 557 D CA 1.132 54.881 54.000 -0.418 0.000 0.905 557 D CB -0.462 40.210 40.800 -0.213 0.000 0.903 557 D HN 0.784 nan 8.370 nan 0.000 0.508 558 G N -0.329 107.388 108.800 -1.805 0.000 2.171 558 G HA2 -0.180 3.779 3.960 -0.000 0.000 0.238 558 G HA3 -0.180 3.779 3.960 -0.000 0.000 0.238 558 G C -0.180 174.030 174.900 -1.149 0.000 1.039 558 G CA 0.073 44.074 45.100 -1.831 0.000 0.759 558 G HN 0.406 nan 8.290 nan 0.000 0.501 559 V N 2.228 121.642 119.914 -0.835 0.000 2.524 559 V HA 0.441 4.560 4.120 -0.000 0.000 0.297 559 V C 0.680 177.112 176.094 0.563 0.000 1.035 559 V CA -0.960 61.358 62.300 0.031 0.000 0.867 559 V CB 1.687 33.503 31.823 -0.012 0.000 1.004 559 V HN 0.536 nan 8.190 nan 0.000 0.426 560 I N 4.594 125.478 120.570 0.524 0.000 2.436 560 I HA 0.389 4.559 4.170 -0.000 0.000 0.289 560 I C -1.748 174.535 176.117 0.277 0.000 1.083 560 I CA -1.357 60.157 61.300 0.356 0.000 1.372 560 I CB 0.718 38.857 38.000 0.231 0.000 1.408 560 I HN 0.393 nan 8.210 nan 0.000 0.516 561 P HA 0.099 nan 4.420 nan 0.000 0.271 561 P C -0.191 177.335 177.300 0.376 0.000 1.216 561 P CA -0.111 63.150 63.100 0.268 0.000 0.771 561 P CB 0.616 32.456 31.700 0.233 0.000 0.864 562 T N 3.044 117.748 114.554 0.250 0.000 2.822 562 T HA 0.081 4.430 4.350 -0.000 0.000 0.288 562 T C -2.104 172.676 174.700 0.133 0.000 0.991 562 T CA -0.910 61.304 62.100 0.190 0.000 1.176 562 T CB -1.232 67.693 68.868 0.096 0.000 0.951 562 T HN 0.350 nan 8.240 nan 0.000 0.526 563 P HA 0.093 nan 4.420 nan 0.000 0.263 563 P C 0.534 177.581 177.300 -0.421 0.000 1.168 563 P CA -0.034 62.607 63.100 -0.764 0.000 0.759 563 P CB 0.254 31.399 31.700 -0.925 0.000 0.782 564 A N 3.737 126.313 122.820 -0.405 0.000 2.239 564 A HA 0.089 4.409 4.320 -0.000 0.000 0.209 564 A C 0.768 178.284 177.584 -0.114 0.000 1.171 564 A CA 1.007 52.970 52.037 -0.123 0.000 0.768 564 A CB -0.621 18.387 19.000 0.015 0.000 0.790 564 A HN 0.532 nan 8.150 nan 0.000 0.478 565 I N -1.351 119.070 120.570 -0.247 0.000 2.722 565 I HA 0.282 4.452 4.170 -0.000 0.000 0.292 565 I C -0.044 175.922 176.117 -0.252 0.000 1.267 565 I CA -0.389 60.792 61.300 -0.198 0.000 1.036 565 I CB 2.194 40.086 38.000 -0.181 0.000 1.281 565 I HN 0.088 nan 8.210 nan 0.000 0.423 566 I N 3.317 123.788 120.570 -0.165 0.000 4.228 566 I HA 0.019 4.189 4.170 -0.000 0.000 0.298 566 I C 1.746 177.804 176.117 -0.098 0.000 1.206 566 I CA -0.254 60.963 61.300 -0.138 0.000 1.322 566 I CB -0.139 37.802 38.000 -0.097 0.000 1.411 566 I HN 0.554 nan 8.210 nan 0.000 0.454 567 K N 3.334 123.684 120.400 -0.085 0.000 2.556 567 K HA -0.208 4.112 4.320 -0.000 0.000 0.225 567 K C -0.864 175.698 176.600 -0.063 0.000 0.681 567 K CA 1.828 58.075 56.287 -0.067 0.000 0.867 567 K CB -2.626 29.833 32.500 -0.068 0.000 0.310 567 K HN 0.179 nan 8.250 nan 0.000 1.030 568 P HA -0.085 nan 4.420 nan 0.000 0.213 568 P C -0.071 177.195 177.300 -0.058 0.000 1.176 568 P CA 1.205 64.271 63.100 -0.056 0.000 0.894 568 P CB 0.119 31.785 31.700 -0.056 0.000 0.771 569 K N 1.257 121.611 120.400 -0.075 0.000 2.206 569 K HA 0.324 4.644 4.320 -0.000 0.000 0.264 569 K C -2.423 174.109 176.600 -0.113 0.000 0.967 569 K CA -2.612 53.636 56.287 -0.066 0.000 0.844 569 K CB 1.603 34.073 32.500 -0.050 0.000 1.099 569 K HN -0.029 nan 8.250 nan 0.000 0.441 570 P HA 0.126 nan 4.420 nan 0.000 0.273 570 P C -1.211 175.828 177.300 -0.435 0.000 1.428 570 P CA -0.263 62.668 63.100 -0.282 0.000 0.995 570 P CB 0.412 32.004 31.700 -0.181 0.000 1.286 571 L N 3.577 124.530 121.223 -0.450 0.000 2.298 571 L HA 0.672 5.012 4.340 -0.000 0.000 0.268 571 L C 0.461 177.101 176.870 -0.383 0.000 1.010 571 L CA -0.559 54.167 54.840 -0.189 0.000 0.812 571 L CB 1.245 43.358 42.059 0.090 0.000 1.331 571 L HN 0.335 nan 8.230 nan 0.000 0.450 572 W N -0.834 120.602 121.300 0.227 0.000 2.992 572 W HA 0.671 5.330 4.660 -0.000 0.000 0.342 572 W C -0.523 176.059 176.519 0.104 0.000 1.176 572 W CA -0.710 56.724 57.345 0.150 0.000 1.118 572 W CB 2.042 31.542 29.460 0.066 0.000 1.457 572 W HN 0.513 nan 8.180 nan 0.000 0.573 573 S N -0.802 114.986 115.700 0.147 0.000 2.566 573 S HA 0.560 5.030 4.470 -0.000 0.000 0.298 573 S C 0.657 175.189 174.600 -0.113 0.000 1.083 573 S CA 0.052 58.132 58.200 -0.201 0.000 0.978 573 S CB 1.725 64.661 63.200 -0.440 0.000 1.073 573 S HN 0.656 nan 8.310 nan 0.000 0.491 574 G N 2.107 110.784 108.800 -0.206 0.000 2.553 574 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.218 574 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.218 574 G C 1.197 175.988 174.900 -0.182 0.000 1.195 574 G CA 1.157 46.109 45.100 -0.245 0.000 0.779 574 G HN 0.830 nan 8.290 nan 0.000 0.577 575 K N -0.066 120.229 120.400 -0.175 0.000 2.127 575 K HA -0.274 4.046 4.320 -0.000 0.000 0.212 575 K C 2.675 179.230 176.600 -0.074 0.000 1.050 575 K CA 2.011 58.225 56.287 -0.122 0.000 0.929 575 K CB -0.211 32.228 32.500 -0.102 0.000 0.715 575 K HN 0.480 nan 8.250 nan 0.000 0.457 576 Q N 0.235 120.011 119.800 -0.040 0.000 1.916 576 Q HA -0.144 4.195 4.340 -0.000 0.000 0.203 576 Q C 2.314 178.314 176.000 0.001 0.000 0.983 576 Q CA 1.885 57.703 55.803 0.024 0.000 0.846 576 Q CB -0.254 28.559 28.738 0.125 0.000 0.909 576 Q HN 0.437 nan 8.270 nan 0.000 0.427 577 I N -0.802 119.758 120.570 -0.016 0.000 2.151 577 I HA -0.265 3.905 4.170 -0.000 0.000 0.243 577 I C 2.361 178.422 176.117 -0.094 0.000 1.080 577 I CA 1.146 62.399 61.300 -0.077 0.000 1.339 577 I CB -0.704 37.221 38.000 -0.125 0.000 1.039 577 I HN 0.187 nan 8.210 nan 0.000 0.409 578 L N 1.496 122.648 121.223 -0.119 0.000 2.137 578 L HA -0.214 4.126 4.340 -0.000 0.000 0.213 578 L C 2.415 179.236 176.870 -0.082 0.000 1.085 578 L CA 1.999 56.767 54.840 -0.121 0.000 0.760 578 L CB -0.779 41.187 42.059 -0.155 0.000 0.893 578 L HN 0.275 nan 8.230 nan 0.000 0.434 579 S N -1.223 114.439 115.700 -0.063 0.000 2.423 579 S HA -0.077 4.392 4.470 -0.000 0.000 0.231 579 S C 1.792 176.384 174.600 -0.013 0.000 1.014 579 S CA 1.088 59.265 58.200 -0.038 0.000 0.965 579 S CB -0.336 62.849 63.200 -0.024 0.000 0.785 579 S HN 0.414 nan 8.310 nan 0.000 0.495 580 V N 1.622 121.530 119.914 -0.011 0.000 3.026 580 V HA -0.116 4.004 4.120 -0.000 0.000 0.265 580 V C 2.260 178.370 176.094 0.028 0.000 1.121 580 V CA 1.383 63.697 62.300 0.023 0.000 1.142 580 V CB -1.305 30.516 31.823 -0.004 0.000 0.730 580 V HN 0.523 nan 8.190 nan 0.000 0.503 581 A N -0.105 122.713 122.820 -0.004 0.000 2.081 581 A HA 0.268 4.588 4.320 -0.000 0.000 0.214 581 A C 1.124 178.706 177.584 -0.004 0.000 1.158 581 A CA 0.204 52.240 52.037 -0.003 0.000 0.724 581 A CB -0.178 18.807 19.000 -0.025 0.000 0.826 581 A HN 0.525 nan 8.150 nan 0.000 0.463 582 I N 2.756 123.320 120.570 -0.010 0.000 2.337 582 I HA 0.194 4.364 4.170 -0.000 0.000 0.291 582 I C -2.113 174.010 176.117 0.010 0.000 1.046 582 I CA -2.068 59.225 61.300 -0.011 0.000 1.324 582 I CB 0.846 38.832 38.000 -0.024 0.000 1.409 582 I HN 0.118 nan 8.210 nan 0.000 0.494 583 P HA -0.018 nan 4.420 nan 0.000 0.268 583 P C -0.823 176.493 177.300 0.026 0.000 1.208 583 P CA -0.173 62.942 63.100 0.026 0.000 0.777 583 P CB 0.479 32.196 31.700 0.028 0.000 0.875 584 N N 0.634 119.351 118.700 0.029 0.000 2.492 584 N HA 0.192 4.932 4.740 -0.000 0.000 0.260 584 N C 1.523 177.053 175.510 0.034 0.000 1.215 584 N CA 1.030 54.096 53.050 0.028 0.000 0.923 584 N CB 0.101 38.603 38.487 0.025 0.000 1.092 584 N HN 0.820 nan 8.380 nan 0.000 0.448 585 G N 0.697 109.518 108.800 0.036 0.000 2.194 585 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.236 585 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.236 585 G C 0.012 174.959 174.900 0.078 0.000 0.987 585 G CA -0.496 44.638 45.100 0.057 0.000 0.635 585 G HN 0.511 nan 8.290 nan 0.000 0.520 586 I N 2.527 123.132 120.570 0.058 0.000 2.406 586 I HA 0.249 4.419 4.170 -0.000 0.000 0.293 586 I C 0.230 176.400 176.117 0.088 0.000 1.101 586 I CA -0.352 60.987 61.300 0.065 0.000 1.334 586 I CB 0.209 38.228 38.000 0.032 0.000 1.421 586 I HN 0.154 nan 8.210 nan 0.000 0.513 587 H N 7.786 126.865 119.070 0.015 0.000 2.541 587 H HA 0.504 5.060 4.556 -0.000 0.000 0.316 587 H C -1.487 173.839 175.328 -0.003 0.000 1.043 587 H CA -0.732 55.324 56.048 0.013 0.000 1.232 587 H CB 1.540 31.322 29.762 0.033 0.000 1.406 587 H HN 0.391 nan 8.280 nan 0.000 0.469 588 L N 4.656 126.048 121.223 0.281 0.000 2.385 588 L HA 0.405 4.745 4.340 -0.000 0.000 0.273 588 L C -1.086 175.847 176.870 0.106 0.000 0.990 588 L CA -0.343 54.579 54.840 0.136 0.000 0.821 588 L CB 1.959 44.025 42.059 0.012 0.000 1.279 588 L HN 0.644 nan 8.230 nan 0.000 0.412 589 Q N 3.855 123.694 119.800 0.065 0.000 2.375 589 Q HA 0.495 4.835 4.340 -0.000 0.000 0.271 589 Q C -0.692 175.296 176.000 -0.020 0.000 1.074 589 Q CA -0.586 55.231 55.803 0.023 0.000 0.808 589 Q CB 3.328 32.155 28.738 0.149 0.000 1.327 589 Q HN 0.764 nan 8.270 nan 0.000 0.441 590 R N 1.297 121.710 120.500 -0.145 0.000 2.151 590 R HA 0.450 4.790 4.340 -0.000 0.000 0.121 590 R C -0.941 175.426 176.300 0.111 0.000 1.786 590 R CA -0.004 56.050 56.100 -0.075 0.000 1.534 590 R CB 0.900 31.092 30.300 -0.179 0.000 1.290 590 R HN 0.604 nan 8.270 nan 0.000 0.464 591 F N 1.303 121.273 119.950 0.033 0.000 2.169 591 F HA -0.181 4.346 4.527 -0.000 0.000 0.526 591 F C -0.132 175.693 175.800 0.041 0.000 1.294 591 F CA -0.135 57.905 58.000 0.066 0.000 1.686 591 F CB -0.543 38.498 39.000 0.069 0.000 2.697 591 F HN 0.454 nan 8.300 nan 0.000 0.724 592 D N 2.239 122.748 120.400 0.181 0.000 2.502 592 D HA 0.146 4.786 4.640 -0.000 0.000 0.271 592 D C 1.373 177.745 176.300 0.120 0.000 1.228 592 D CA 0.224 54.293 54.000 0.115 0.000 1.032 592 D CB 0.162 41.002 40.800 0.066 0.000 0.925 592 D HN 0.606 nan 8.370 nan 0.000 0.248 593 E N 0.360 120.615 120.200 0.093 0.000 2.928 593 E HA 0.187 4.537 4.350 -0.000 0.000 0.352 593 E C 1.032 177.691 176.600 0.098 0.000 0.523 593 E CA -0.151 56.296 56.400 0.077 0.000 2.011 593 E CB -0.415 29.315 29.700 0.051 0.000 1.898 593 E HN 0.215 nan 8.360 nan 0.000 0.516 594 G N 1.762 110.611 108.800 0.080 0.000 3.003 594 G HA2 0.068 4.028 3.960 -0.000 0.000 0.266 594 G HA3 0.068 4.028 3.960 -0.000 0.000 0.266 594 G C -0.645 174.326 174.900 0.118 0.000 0.755 594 G CA 0.109 45.259 45.100 0.084 0.000 2.061 594 G HN -0.000 nan 8.290 nan 0.000 0.599 595 T N 1.341 116.010 114.554 0.191 0.000 2.770 595 T HA 0.646 4.995 4.350 -0.000 0.000 0.283 595 T C -0.142 174.813 174.700 0.425 0.000 0.988 595 T CA -0.329 61.934 62.100 0.273 0.000 0.957 595 T CB 1.572 70.627 68.868 0.313 0.000 0.930 595 T HN 0.490 nan 8.240 nan 0.000 0.443 596 T N 0.322 115.047 114.554 0.284 0.000 3.435 596 T HA 0.302 4.652 4.350 -0.000 0.000 0.344 596 T C -0.079 174.649 174.700 0.046 0.000 1.211 596 T CA -1.295 61.001 62.100 0.327 0.000 1.104 596 T CB 0.420 69.393 68.868 0.175 0.000 1.196 596 T HN 0.336 nan 8.240 nan 0.000 0.471 597 L N 2.095 123.350 121.223 0.053 0.000 7.178 597 L HA -0.022 4.318 4.340 -0.000 0.000 0.559 597 L C 0.728 177.370 176.870 -0.380 0.000 1.568 597 L CA 0.907 55.610 54.840 -0.227 0.000 0.508 597 L CB -1.970 40.091 42.059 0.004 0.000 1.520 597 L HN 0.811 nan 8.230 nan 0.000 0.439 598 L N -0.797 120.096 121.223 -0.549 0.000 1.563 598 L HA -0.041 4.299 4.340 -0.000 0.000 0.490 598 L C 0.618 177.334 176.870 -0.256 0.000 0.855 598 L CA 0.167 54.786 54.840 -0.368 0.000 1.506 598 L CB -0.391 41.562 42.059 -0.176 0.000 1.357 598 L HN 0.385 nan 8.230 nan 0.000 0.317 599 S N 0.482 115.979 115.700 -0.339 0.000 3.631 599 S HA 0.001 4.470 4.470 -0.000 0.000 0.431 599 S C -0.912 173.679 174.600 -0.016 0.000 1.132 599 S CA -0.228 57.940 58.200 -0.054 0.000 1.188 599 S CB 0.043 63.343 63.200 0.165 0.000 0.805 599 S HN 0.453 nan 8.310 nan 0.000 0.526 600 P HA -0.145 nan 4.420 nan 0.000 0.208 600 P C 0.830 178.146 177.300 0.027 0.000 1.200 600 P CA 1.293 64.399 63.100 0.010 0.000 0.924 600 P CB -0.003 31.706 31.700 0.016 0.000 0.774 601 K N -0.534 119.889 120.400 0.037 0.000 2.633 601 K HA -0.096 4.223 4.320 -0.000 0.000 0.193 601 K C 0.170 176.798 176.600 0.047 0.000 1.033 601 K CA 0.638 56.949 56.287 0.040 0.000 0.980 601 K CB -0.822 31.701 32.500 0.039 0.000 0.800 601 K HN 0.104 nan 8.250 nan 0.000 0.493 602 D N 0.637 121.073 120.400 0.061 0.000 2.746 602 D HA -0.141 4.499 4.640 -0.000 0.000 0.236 602 D C -0.560 175.794 176.300 0.089 0.000 1.129 602 D CA 0.422 54.473 54.000 0.086 0.000 0.691 602 D CB -1.130 39.703 40.800 0.055 0.000 1.077 602 D HN 0.222 nan 8.370 nan 0.000 0.432 603 N N -0.128 118.634 118.700 0.103 0.000 2.452 603 N HA 0.607 5.347 4.740 -0.000 0.000 0.296 603 N C 1.394 176.941 175.510 0.061 0.000 1.304 603 N CA 0.486 53.579 53.050 0.072 0.000 0.956 603 N CB -0.420 38.113 38.487 0.077 0.000 1.106 603 N HN 0.449 nan 8.380 nan 0.000 0.555 604 G N -0.026 108.769 108.800 -0.008 0.000 2.668 604 G HA2 -0.163 3.796 3.960 -0.000 0.000 0.266 604 G HA3 -0.163 3.796 3.960 -0.000 0.000 0.266 604 G C -0.472 174.236 174.900 -0.320 0.000 1.328 604 G CA 0.683 45.694 45.100 -0.148 0.000 0.911 604 G HN 0.674 nan 8.290 nan 0.000 0.567 605 M N -1.342 117.923 119.600 -0.558 0.000 2.307 605 M HA 0.703 5.183 4.480 -0.000 0.000 0.279 605 M C -1.954 173.910 176.300 -0.727 0.000 1.080 605 M CA -0.684 54.259 55.300 -0.596 0.000 0.964 605 M CB 1.820 34.238 32.600 -0.303 0.000 1.825 605 M HN 1.598 nan 8.290 nan 0.000 0.489 606 L N 6.484 127.198 121.223 -0.848 0.000 2.482 606 L HA 0.804 5.144 4.340 -0.000 0.000 0.269 606 L C -2.139 174.559 176.870 -0.286 0.000 0.967 606 L CA -0.154 54.362 54.840 -0.538 0.000 0.851 606 L CB 1.625 43.336 42.059 -0.580 0.000 1.242 606 L HN 0.794 nan 8.230 nan 0.000 0.404 607 I N 6.421 126.892 120.570 -0.164 0.000 2.447 607 I HA 0.485 4.654 4.170 -0.000 0.000 0.287 607 I C -0.640 175.376 176.117 -0.168 0.000 1.023 607 I CA -0.431 60.793 61.300 -0.126 0.000 1.083 607 I CB 1.773 39.720 38.000 -0.090 0.000 1.245 607 I HN 0.511 nan 8.210 nan 0.000 0.434 608 I N 4.438 124.893 120.570 -0.191 0.000 2.693 608 I HA 0.282 4.452 4.170 -0.000 0.000 0.303 608 I C 0.607 176.644 176.117 -0.132 0.000 1.025 608 I CA -0.401 60.717 61.300 -0.304 0.000 1.086 608 I CB 1.719 39.541 38.000 -0.296 0.000 1.268 608 I HN 0.632 nan 8.210 nan 0.000 0.440 609 D N 3.266 123.607 120.400 -0.099 0.000 3.061 609 D HA -0.226 4.414 4.640 -0.000 0.000 0.220 609 D C 0.829 177.125 176.300 -0.007 0.000 1.184 609 D CA 1.895 55.881 54.000 -0.023 0.000 0.922 609 D CB -0.542 40.257 40.800 -0.002 0.000 1.119 609 D HN 1.171 nan 8.370 nan 0.000 0.400 610 G N -1.069 107.719 108.800 -0.019 0.000 2.203 610 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.231 610 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.231 610 G C -0.405 174.488 174.900 -0.011 0.000 1.058 610 G CA 0.236 45.332 45.100 -0.007 0.000 0.781 610 G HN 0.397 nan 8.290 nan 0.000 0.496 611 Q N -0.407 119.378 119.800 -0.025 0.000 2.271 611 Q HA 0.430 4.770 4.340 -0.000 0.000 0.268 611 Q C 0.353 176.329 176.000 -0.039 0.000 1.021 611 Q CA -0.706 55.086 55.803 -0.019 0.000 0.802 611 Q CB 1.859 30.597 28.738 0.000 0.000 1.282 611 Q HN 0.444 nan 8.270 nan 0.000 0.431 612 I N 3.732 124.274 120.570 -0.047 0.000 2.587 612 I HA -0.050 4.119 4.170 -0.000 0.000 0.284 612 I C 1.416 177.510 176.117 -0.038 0.000 1.134 612 I CA 0.370 61.629 61.300 -0.069 0.000 1.410 612 I CB 0.389 38.340 38.000 -0.083 0.000 1.392 612 I HN 0.617 nan 8.210 nan 0.000 0.545 613 I N 6.566 127.115 120.570 -0.036 0.000 2.512 613 I HA 0.043 4.212 4.170 -0.000 0.000 0.247 613 I C 0.276 176.494 176.117 0.168 0.000 1.094 613 I CA 0.803 62.143 61.300 0.066 0.000 1.427 613 I CB 0.216 38.294 38.000 0.129 0.000 1.149 613 I HN 0.547 nan 8.210 nan 0.000 0.438 614 F N -0.080 119.830 119.950 -0.068 0.000 2.678 614 F HA 0.731 5.257 4.527 -0.000 0.000 0.308 614 F C -0.517 175.231 175.800 -0.087 0.000 1.118 614 F CA -0.619 57.338 58.000 -0.072 0.000 0.959 614 F CB 0.787 39.747 39.000 -0.067 0.000 1.305 614 F HN 0.074 nan 8.300 nan 0.000 0.443 615 G N 0.825 109.671 108.800 0.075 0.000 2.570 615 G HA2 0.347 4.307 3.960 -0.000 0.000 0.686 615 G HA3 0.347 4.307 3.960 -0.000 0.000 0.686 615 G C -1.859 172.997 174.900 -0.074 0.000 1.257 615 G CA -0.607 44.464 45.100 -0.049 0.000 0.846 615 G HN 1.386 nan 8.290 nan 0.000 0.627 616 V N -0.412 119.464 119.914 -0.064 0.000 2.716 616 V HA 0.714 4.833 4.120 -0.000 0.000 0.304 616 V C 0.812 176.850 176.094 -0.093 0.000 1.053 616 V CA -0.883 61.373 62.300 -0.074 0.000 0.984 616 V CB 1.691 33.484 31.823 -0.050 0.000 1.021 616 V HN 1.010 nan 8.190 nan 0.000 0.467 617 V N 3.566 123.418 119.914 -0.103 0.000 2.370 617 V HA 0.687 4.807 4.120 -0.000 0.000 0.283 617 V C -0.154 175.887 176.094 -0.087 0.000 1.023 617 V CA -0.187 62.052 62.300 -0.103 0.000 0.857 617 V CB 0.840 32.592 31.823 -0.118 0.000 0.985 617 V HN 1.192 nan 8.190 nan 0.000 0.443 618 E N 2.699 122.858 120.200 -0.069 0.000 2.368 618 E HA 0.384 4.734 4.350 -0.000 0.000 0.257 618 E C 0.716 177.294 176.600 -0.036 0.000 1.022 618 E CA -0.904 55.465 56.400 -0.051 0.000 0.886 618 E CB 0.554 30.229 29.700 -0.041 0.000 1.740 618 E HN 0.125 nan 8.360 nan 0.000 0.456 619 K N 0.379 120.768 120.400 -0.019 0.000 2.148 619 K HA -0.343 3.977 4.320 -0.000 0.000 0.213 619 K C 1.441 178.039 176.600 -0.003 0.000 1.050 619 K CA 2.557 58.842 56.287 -0.004 0.000 0.932 619 K CB -0.210 32.295 32.500 0.008 0.000 0.717 619 K HN 0.414 nan 8.250 nan 0.000 0.462 620 K N -0.946 119.448 120.400 -0.009 0.000 2.097 620 K HA -0.081 4.239 4.320 -0.000 0.000 0.206 620 K C 1.887 178.476 176.600 -0.018 0.000 1.049 620 K CA 1.882 58.164 56.287 -0.008 0.000 0.933 620 K CB 0.017 32.509 32.500 -0.013 0.000 0.717 620 K HN 0.237 nan 8.250 nan 0.000 0.442 621 T N -0.571 113.961 114.554 -0.038 0.000 3.037 621 T HA 0.055 4.404 4.350 -0.000 0.000 0.251 621 T C 1.176 175.844 174.700 -0.053 0.000 1.079 621 T CA 0.296 62.365 62.100 -0.053 0.000 1.067 621 T CB 0.696 69.515 68.868 -0.081 0.000 0.948 621 T HN -0.029 nan 8.240 nan 0.000 0.496 622 V N 1.218 121.102 119.914 -0.049 0.000 3.172 622 V HA 0.513 4.632 4.120 -0.000 0.000 0.343 622 V C 0.638 176.712 176.094 -0.034 0.000 1.429 622 V CA -0.233 62.027 62.300 -0.066 0.000 1.149 622 V CB 0.139 31.905 31.823 -0.095 0.000 1.106 622 V HN 0.451 nan 8.190 nan 0.000 0.526 623 G N 0.190 108.990 108.800 0.000 0.000 2.557 623 G HA2 0.378 4.338 3.960 -0.000 0.000 0.302 623 G HA3 0.378 4.338 3.960 -0.000 0.000 0.302 623 G C 0.678 175.611 174.900 0.054 0.000 1.311 623 G CA 0.330 45.448 45.100 0.031 0.000 1.030 623 G HN 0.581 nan 8.290 nan 0.000 0.509 624 S N -0.459 115.282 115.700 0.068 0.000 2.967 624 S HA 0.223 4.693 4.470 -0.000 0.000 0.254 624 S C 0.898 175.534 174.600 0.060 0.000 1.089 624 S CA -0.001 58.240 58.200 0.068 0.000 1.183 624 S CB -0.961 62.275 63.200 0.060 0.000 0.848 624 S HN 0.768 nan 8.310 nan 0.000 0.477 625 S N 0.456 116.198 115.700 0.071 0.000 2.707 625 S HA 0.382 4.852 4.470 -0.000 0.000 0.276 625 S C 0.960 175.650 174.600 0.150 0.000 1.179 625 S CA -0.947 57.306 58.200 0.087 0.000 0.992 625 S CB 0.587 63.824 63.200 0.062 0.000 1.030 625 S HN 0.332 nan 8.310 nan 0.000 0.554 626 N N 1.083 119.880 118.700 0.161 0.000 2.004 626 N HA -0.122 4.618 4.740 -0.000 0.000 0.196 626 N C 1.940 177.544 175.510 0.156 0.000 1.064 626 N CA 1.627 54.819 53.050 0.237 0.000 0.855 626 N CB -0.928 37.632 38.487 0.122 0.000 1.056 626 N HN 0.836 nan 8.380 nan 0.000 0.423 627 G N 0.394 109.227 108.800 0.056 0.000 2.479 627 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.220 627 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.220 627 G C 0.698 175.615 174.900 0.029 0.000 1.115 627 G CA 0.675 45.778 45.100 0.005 0.000 0.757 627 G HN 0.511 nan 8.290 nan 0.000 0.560 628 G N 0.170 109.017 108.800 0.079 0.000 2.937 628 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.313 628 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.313 628 G C 0.985 175.920 174.900 0.059 0.000 0.257 628 G CA 0.342 45.489 45.100 0.079 0.000 1.209 628 G HN 0.627 nan 8.290 nan 0.000 0.211 629 L N 2.970 124.194 121.223 0.002 0.000 2.189 629 L HA -0.151 4.188 4.340 -0.000 0.000 0.214 629 L C 2.550 179.417 176.870 -0.004 0.000 1.097 629 L CA 1.520 56.350 54.840 -0.017 0.000 0.764 629 L CB -0.126 41.898 42.059 -0.058 0.000 0.900 629 L HN 0.732 nan 8.230 nan 0.000 0.436 630 I N -1.337 119.230 120.570 -0.006 0.000 2.162 630 I HA -0.285 3.885 4.170 -0.000 0.000 0.238 630 I C 2.553 178.745 176.117 0.125 0.000 1.076 630 I CA 1.126 62.431 61.300 0.008 0.000 1.353 630 I CB -0.941 37.059 38.000 0.000 0.000 1.063 630 I HN 0.297 nan 8.210 nan 0.000 0.408 631 H N 1.475 120.564 119.070 0.031 0.000 2.400 631 H HA -0.164 4.392 4.556 -0.000 0.000 0.295 631 H C 2.038 177.389 175.328 0.038 0.000 1.118 631 H CA 2.069 58.142 56.048 0.042 0.000 1.256 631 H CB -0.229 29.556 29.762 0.039 0.000 1.365 631 H HN 0.163 nan 8.280 nan 0.000 0.502 632 V N -0.545 119.458 119.914 0.147 0.000 2.407 632 V HA -0.134 3.986 4.120 -0.000 0.000 0.245 632 V C 2.919 179.058 176.094 0.076 0.000 1.041 632 V CA 1.202 63.539 62.300 0.062 0.000 1.040 632 V CB -0.692 31.144 31.823 0.021 0.000 0.671 632 V HN 0.203 nan 8.190 nan 0.000 0.455 633 V N 0.288 120.245 119.914 0.070 0.000 2.515 633 V HA -0.227 3.893 4.120 -0.000 0.000 0.250 633 V C 2.574 178.718 176.094 0.083 0.000 1.058 633 V CA 2.454 64.790 62.300 0.061 0.000 1.064 633 V CB -0.912 30.931 31.823 0.033 0.000 0.675 633 V HN 0.596 nan 8.190 nan 0.000 0.461 634 T N -0.499 114.122 114.554 0.111 0.000 2.668 634 T HA -0.150 4.199 4.350 -0.000 0.000 0.262 634 T C 2.195 176.962 174.700 0.111 0.000 1.045 634 T CA 1.139 63.307 62.100 0.114 0.000 1.152 634 T CB -0.233 68.708 68.868 0.123 0.000 0.864 634 T HN 0.220 nan 8.240 nan 0.000 0.419 635 R N 0.783 121.367 120.500 0.139 0.000 2.091 635 R HA -0.048 4.292 4.340 -0.000 0.000 0.238 635 R C 2.370 178.720 176.300 0.083 0.000 1.136 635 R CA 1.448 57.621 56.100 0.123 0.000 0.959 635 R CB -0.480 29.893 30.300 0.122 0.000 0.856 635 R HN 0.414 nan 8.270 nan 0.000 0.437 636 E N 0.020 120.264 120.200 0.073 0.000 2.122 636 E HA -0.048 4.301 4.350 -0.000 0.000 0.190 636 E C 1.454 178.089 176.600 0.059 0.000 0.977 636 E CA 1.029 57.466 56.400 0.061 0.000 0.820 636 E CB 0.305 30.042 29.700 0.062 0.000 0.770 636 E HN -0.043 nan 8.360 nan 0.000 0.462 637 K N -1.086 119.351 120.400 0.061 0.000 2.313 637 K HA 0.345 4.664 4.320 -0.000 0.000 0.197 637 K C 0.573 177.205 176.600 0.053 0.000 1.061 637 K CA 0.853 57.173 56.287 0.055 0.000 0.980 637 K CB 1.200 33.731 32.500 0.052 0.000 0.888 637 K HN 0.171 nan 8.250 nan 0.000 0.502 638 G N 1.075 109.911 108.800 0.061 0.000 2.355 638 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.619 638 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.619 638 G C -2.463 172.472 174.900 0.058 0.000 1.337 638 G CA -0.356 44.778 45.100 0.056 0.000 0.993 638 G HN -0.180 nan 8.290 nan 0.000 0.599 639 P HA -0.171 nan 4.420 nan 0.000 0.213 639 P C 1.482 178.810 177.300 0.047 0.000 1.170 639 P CA 1.680 64.803 63.100 0.039 0.000 0.898 639 P CB -0.006 31.704 31.700 0.016 0.000 0.787 640 Q N -0.033 119.789 119.800 0.037 0.000 1.956 640 Q HA -0.124 4.216 4.340 -0.000 0.000 0.208 640 Q C 2.483 178.515 176.000 0.054 0.000 0.998 640 Q CA 1.446 57.272 55.803 0.037 0.000 0.855 640 Q CB -1.628 27.125 28.738 0.026 0.000 0.928 640 Q HN 0.107 nan 8.270 nan 0.000 0.418 641 V N 0.787 120.732 119.914 0.052 0.000 2.250 641 V HA -0.347 3.773 4.120 -0.000 0.000 0.250 641 V C 2.614 178.755 176.094 0.078 0.000 1.060 641 V CA 2.062 64.395 62.300 0.056 0.000 1.030 641 V CB -0.976 30.876 31.823 0.049 0.000 0.643 641 V HN 0.577 nan 8.190 nan 0.000 0.445 642 C N 0.286 119.644 119.300 0.095 0.000 2.425 642 C HA -0.058 4.402 4.460 -0.000 0.000 0.277 642 C C 3.061 178.201 174.990 0.250 0.000 1.280 642 C CA 0.732 59.834 59.018 0.139 0.000 1.744 642 C CB -1.345 26.483 27.740 0.147 0.000 1.989 642 C HN 0.602 nan 8.230 nan 0.000 0.491 643 A N -0.025 122.914 122.820 0.199 0.000 1.972 643 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 643 A C 2.241 179.953 177.584 0.214 0.000 1.169 643 A CA 2.100 54.254 52.037 0.194 0.000 0.635 643 A CB -0.652 18.387 19.000 0.065 0.000 0.810 643 A HN 0.763 nan 8.150 nan 0.000 0.446 644 K N -0.825 119.662 120.400 0.145 0.000 2.062 644 K HA -0.061 4.258 4.320 -0.000 0.000 0.205 644 K C 1.835 178.515 176.600 0.133 0.000 1.051 644 K CA 1.102 57.455 56.287 0.109 0.000 0.941 644 K CB -0.308 32.230 32.500 0.063 0.000 0.719 644 K HN 0.302 nan 8.250 nan 0.000 0.440 645 L N 0.907 122.203 121.223 0.121 0.000 2.064 645 L HA -0.233 4.106 4.340 -0.000 0.000 0.216 645 L C 1.569 178.448 176.870 0.015 0.000 1.077 645 L CA 1.810 56.674 54.840 0.040 0.000 0.766 645 L CB -0.654 41.391 42.059 -0.025 0.000 0.890 645 L HN 0.151 nan 8.230 nan 0.000 0.435 646 F N 0.029 119.990 119.950 0.020 0.000 1.997 646 F HA -0.129 4.398 4.527 -0.000 0.000 0.296 646 F C 2.624 178.439 175.800 0.026 0.000 1.160 646 F CA 2.027 60.042 58.000 0.025 0.000 1.176 646 F CB -1.548 37.469 39.000 0.029 0.000 0.964 646 F HN 0.174 nan 8.300 nan 0.000 0.484 647 G N 0.176 109.122 108.800 0.244 0.000 2.597 647 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.222 647 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.222 647 G C 1.592 176.541 174.900 0.083 0.000 1.135 647 G CA 1.618 46.792 45.100 0.124 0.000 0.759 647 G HN 0.337 nan 8.290 nan 0.000 0.595 648 N N 0.698 119.436 118.700 0.064 0.000 2.047 648 N HA -0.054 4.685 4.740 -0.000 0.000 0.193 648 N C 2.348 177.887 175.510 0.049 0.000 1.055 648 N CA 1.267 54.344 53.050 0.044 0.000 0.847 648 N CB -0.465 38.038 38.487 0.027 0.000 1.038 648 N HN 0.316 nan 8.380 nan 0.000 0.427 649 I N 1.680 122.256 120.570 0.010 0.000 2.290 649 I HA -0.349 3.820 4.170 -0.000 0.000 0.253 649 I C 2.604 178.742 176.117 0.034 0.000 1.112 649 I CA 1.335 62.626 61.300 -0.016 0.000 1.377 649 I CB -0.286 37.664 38.000 -0.083 0.000 1.060 649 I HN 0.281 nan 8.210 nan 0.000 0.428 650 Q N 0.858 120.704 119.800 0.078 0.000 1.858 650 Q HA -0.186 4.154 4.340 -0.000 0.000 0.224 650 Q C 2.194 178.310 176.000 0.192 0.000 0.980 650 Q CA 1.391 57.271 55.803 0.129 0.000 0.868 650 Q CB -0.036 28.792 28.738 0.149 0.000 0.920 650 Q HN 0.282 nan 8.270 nan 0.000 0.427 651 K N -0.274 120.261 120.400 0.225 0.000 2.137 651 K HA -0.290 4.029 4.320 -0.000 0.000 0.216 651 K C 2.023 178.937 176.600 0.524 0.000 1.052 651 K CA 2.045 58.590 56.287 0.430 0.000 0.939 651 K CB -0.649 31.990 32.500 0.231 0.000 0.724 651 K HN 0.112 nan 8.250 nan 0.000 0.465 652 V N 0.811 120.888 119.914 0.272 0.000 2.223 652 V HA -0.251 3.869 4.120 -0.000 0.000 0.244 652 V C 2.368 178.586 176.094 0.207 0.000 1.045 652 V CA 1.806 64.203 62.300 0.162 0.000 1.000 652 V CB -0.361 31.485 31.823 0.038 0.000 0.635 652 V HN 0.127 nan 8.190 nan 0.000 0.445 653 V N 1.016 121.017 119.914 0.145 0.000 2.219 653 V HA -0.309 3.811 4.120 -0.000 0.000 0.248 653 V C 2.347 178.595 176.094 0.258 0.000 1.053 653 V CA 2.457 64.847 62.300 0.151 0.000 1.009 653 V CB -1.055 30.798 31.823 0.049 0.000 0.636 653 V HN 0.623 nan 8.190 nan 0.000 0.445 654 N N -0.163 118.672 118.700 0.225 0.000 2.091 654 N HA -0.258 4.481 4.740 -0.000 0.000 0.193 654 N C 1.746 177.341 175.510 0.142 0.000 1.021 654 N CA 2.192 55.358 53.050 0.194 0.000 0.862 654 N CB -0.697 37.922 38.487 0.220 0.000 1.018 654 N HN 0.590 nan 8.380 nan 0.000 0.429 655 F N 0.391 120.334 119.950 -0.012 0.000 2.075 655 F HA -0.196 4.331 4.527 -0.000 0.000 0.297 655 F C 2.496 178.182 175.800 -0.190 0.000 1.113 655 F CA 1.496 59.316 58.000 -0.299 0.000 1.218 655 F CB -0.523 38.116 39.000 -0.602 0.000 0.984 655 F HN 0.091 nan 8.300 nan 0.000 0.472 656 W N 0.955 122.359 121.300 0.175 0.000 2.317 656 W HA -0.292 4.368 4.660 -0.000 0.000 0.318 656 W C 2.231 178.726 176.519 -0.039 0.000 1.227 656 W CA 2.239 59.657 57.345 0.122 0.000 1.269 656 W CB -0.809 28.718 29.460 0.112 0.000 1.155 656 W HN 0.204 nan 8.180 nan 0.000 0.484 657 L N 0.769 122.152 121.223 0.267 0.000 2.042 657 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 657 L C 2.509 179.264 176.870 -0.192 0.000 1.076 657 L CA 2.237 57.111 54.840 0.057 0.000 0.749 657 L CB -1.529 40.629 42.059 0.165 0.000 0.893 657 L HN 0.242 nan 8.230 nan 0.000 0.432 658 L N -1.138 119.910 121.223 -0.292 0.000 2.137 658 L HA -0.287 4.053 4.340 -0.000 0.000 0.213 658 L C 2.281 178.833 176.870 -0.530 0.000 1.085 658 L CA 2.022 56.588 54.840 -0.457 0.000 0.760 658 L CB -0.839 40.787 42.059 -0.721 0.000 0.893 658 L HN 0.442 nan 8.230 nan 0.000 0.434 659 H N -1.822 116.992 119.070 -0.427 0.000 2.451 659 H HA 0.111 4.667 4.556 -0.000 0.000 0.294 659 H C 1.909 176.987 175.328 -0.416 0.000 1.028 659 H CA 1.121 56.919 56.048 -0.417 0.000 1.349 659 H CB -0.179 29.308 29.762 -0.459 0.000 1.444 659 H HN 0.419 nan 8.280 nan 0.000 0.538 660 N N 0.486 118.886 118.700 -0.499 0.000 2.409 660 N HA 0.005 4.744 4.740 -0.000 0.000 0.179 660 N C 0.476 175.858 175.510 -0.215 0.000 1.032 660 N CA 0.795 53.538 53.050 -0.511 0.000 0.898 660 N CB 0.456 38.306 38.487 -1.061 0.000 0.971 660 N HN 0.449 nan 8.380 nan 0.000 0.441 661 G N -0.578 108.134 108.800 -0.145 0.000 2.880 661 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.617 661 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.617 661 G C -0.790 174.200 174.900 0.151 0.000 1.493 661 G CA -0.015 45.075 45.100 -0.016 0.000 0.916 661 G HN 0.353 nan 8.290 nan 0.000 0.553 662 F N 0.012 119.943 119.950 -0.032 0.000 2.740 662 F HA 0.630 5.157 4.527 -0.000 0.000 0.312 662 F C -0.138 175.664 175.800 0.003 0.000 1.121 662 F CA 0.442 58.443 58.000 0.002 0.000 0.977 662 F CB 1.302 40.320 39.000 0.031 0.000 1.265 662 F HN 1.532 nan 8.300 nan 0.000 0.443 663 S N 1.929 117.114 115.700 -0.858 0.000 2.800 663 S HA 0.916 5.386 4.470 -0.000 0.000 0.293 663 S C -1.687 172.539 174.600 -0.624 0.000 1.209 663 S CA -0.084 57.800 58.200 -0.527 0.000 0.884 663 S CB 1.823 64.869 63.200 -0.257 0.000 1.244 663 S HN 0.885 nan 8.310 nan 0.000 0.540 664 T N 0.193 114.565 114.554 -0.303 0.000 3.047 664 T HA 0.701 5.050 4.350 -0.000 0.000 0.340 664 T C -0.668 173.964 174.700 -0.113 0.000 1.421 664 T CA -0.111 61.868 62.100 -0.202 0.000 1.090 664 T CB 1.378 70.170 68.868 -0.128 0.000 1.292 664 T HN 1.205 nan 8.240 nan 0.000 0.480 665 G N 0.786 109.538 108.800 -0.080 0.000 2.698 665 G HA2 0.516 4.476 3.960 -0.000 0.000 0.293 665 G HA3 0.516 4.476 3.960 -0.000 0.000 0.293 665 G C 0.711 175.593 174.900 -0.030 0.000 1.437 665 G CA -0.738 44.332 45.100 -0.051 0.000 0.852 665 G HN 0.703 nan 8.290 nan 0.000 0.499 666 I N 0.176 120.734 120.570 -0.020 0.000 2.231 666 I HA -0.209 3.961 4.170 -0.000 0.000 0.251 666 I C 2.556 178.670 176.117 -0.005 0.000 1.076 666 I CA 2.145 63.441 61.300 -0.008 0.000 1.347 666 I CB -1.347 36.649 38.000 -0.007 0.000 1.038 666 I HN 0.606 nan 8.210 nan 0.000 0.429 667 G N 0.300 109.093 108.800 -0.012 0.000 2.485 667 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.221 667 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.221 667 G C 1.335 176.234 174.900 -0.002 0.000 1.115 667 G CA 1.142 46.237 45.100 -0.008 0.000 0.751 667 G HN 0.514 nan 8.290 nan 0.000 0.567 668 D N -0.133 120.263 120.400 -0.007 0.000 2.317 668 D HA -0.054 4.585 4.640 -0.000 0.000 0.211 668 D C 2.459 178.769 176.300 0.018 0.000 0.966 668 D CA 1.474 55.476 54.000 0.004 0.000 0.876 668 D CB 0.052 40.848 40.800 -0.007 0.000 0.927 668 D HN 0.525 nan 8.370 nan 0.000 0.519 669 T N -1.773 112.791 114.554 0.016 0.000 3.092 669 T HA 0.250 4.599 4.350 -0.000 0.000 0.258 669 T C 0.849 175.562 174.700 0.022 0.000 1.031 669 T CA -0.330 61.784 62.100 0.023 0.000 0.925 669 T CB -0.104 68.781 68.868 0.030 0.000 1.036 669 T HN -0.059 nan 8.240 nan 0.000 0.544 670 I N 1.854 122.435 120.570 0.019 0.000 2.392 670 I HA 0.682 4.852 4.170 -0.000 0.000 0.295 670 I C 0.470 176.600 176.117 0.022 0.000 0.985 670 I CA -1.445 59.866 61.300 0.019 0.000 1.221 670 I CB 1.451 39.459 38.000 0.014 0.000 1.366 670 I HN 0.103 nan 8.210 nan 0.000 0.467 671 A N 3.804 126.638 122.820 0.022 0.000 2.304 671 A HA 0.309 4.629 4.320 -0.000 0.000 0.301 671 A C -0.266 177.332 177.584 0.024 0.000 1.132 671 A CA -0.451 51.602 52.037 0.026 0.000 0.819 671 A CB 0.480 19.496 19.000 0.027 0.000 1.094 671 A HN 0.780 nan 8.150 nan 0.000 0.492 672 D N 0.877 121.293 120.400 0.025 0.000 2.567 672 D HA 0.126 4.765 4.640 -0.000 0.000 0.228 672 D C 1.692 178.004 176.300 0.020 0.000 1.185 672 D CA 1.791 55.805 54.000 0.023 0.000 0.874 672 D CB 0.576 41.391 40.800 0.025 0.000 1.219 672 D HN 0.560 nan 8.370 nan 0.000 0.494 673 G N 2.434 111.245 108.800 0.018 0.000 2.491 673 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.218 673 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.218 673 G C -0.670 174.240 174.900 0.017 0.000 1.180 673 G CA 0.870 45.979 45.100 0.016 0.000 0.774 673 G HN 0.595 nan 8.290 nan 0.000 0.562 674 P HA 0.046 nan 4.420 nan 0.000 0.226 674 P C 1.604 178.917 177.300 0.021 0.000 1.161 674 P CA 1.201 64.312 63.100 0.018 0.000 0.804 674 P CB 0.017 31.727 31.700 0.017 0.000 0.829 675 T N 0.481 115.049 114.554 0.024 0.000 2.746 675 T HA -0.050 4.299 4.350 -0.000 0.000 0.267 675 T C 1.946 176.663 174.700 0.028 0.000 1.039 675 T CA 1.129 63.245 62.100 0.027 0.000 1.142 675 T CB -0.557 68.329 68.868 0.031 0.000 0.866 675 T HN 0.031 nan 8.240 nan 0.000 0.444 676 M N 0.665 120.280 119.600 0.025 0.000 2.446 676 M HA -0.044 4.436 4.480 -0.000 0.000 0.263 676 M C 2.357 178.672 176.300 0.025 0.000 1.066 676 M CA 1.084 56.399 55.300 0.025 0.000 1.087 676 M CB -0.528 32.086 32.600 0.022 0.000 1.406 676 M HN 0.224 nan 8.290 nan 0.000 0.459 677 R N 0.578 121.092 120.500 0.023 0.000 2.074 677 R HA -0.085 4.255 4.340 -0.000 0.000 0.218 677 R C 1.888 178.201 176.300 0.023 0.000 1.137 677 R CA 1.039 57.152 56.100 0.022 0.000 0.998 677 R CB -0.241 30.071 30.300 0.019 0.000 0.895 677 R HN 0.317 nan 8.270 nan 0.000 0.442 678 E N 0.527 120.741 120.200 0.023 0.000 2.233 678 E HA -0.221 4.129 4.350 -0.000 0.000 0.199 678 E C 1.782 178.399 176.600 0.028 0.000 1.004 678 E CA 1.530 57.945 56.400 0.024 0.000 0.819 678 E CB -0.038 29.677 29.700 0.025 0.000 0.738 678 E HN 0.475 nan 8.360 nan 0.000 0.478 679 I N -0.163 120.426 120.570 0.032 0.000 2.296 679 I HA -0.185 3.984 4.170 -0.000 0.000 0.242 679 I C 2.366 178.506 176.117 0.038 0.000 1.087 679 I CA 1.100 62.423 61.300 0.039 0.000 1.393 679 I CB -0.578 37.447 38.000 0.042 0.000 1.093 679 I HN 0.098 nan 8.210 nan 0.000 0.421 680 T N 1.423 115.998 114.554 0.035 0.000 2.624 680 T HA -0.273 4.076 4.350 -0.000 0.000 0.266 680 T C 1.401 176.118 174.700 0.027 0.000 1.050 680 T CA 2.105 64.226 62.100 0.035 0.000 1.163 680 T CB -0.644 68.242 68.868 0.030 0.000 0.861 680 T HN 0.592 nan 8.240 nan 0.000 0.443 681 E N 0.658 120.870 120.200 0.020 0.000 2.512 681 E HA 0.017 4.366 4.350 -0.000 0.000 0.195 681 E C 0.887 177.489 176.600 0.004 0.000 1.083 681 E CA 0.545 56.950 56.400 0.009 0.000 0.873 681 E CB -0.289 29.416 29.700 0.008 0.000 0.897 681 E HN 0.367 nan 8.360 nan 0.000 0.514 682 T N 0.371 114.933 114.554 0.012 0.000 3.054 682 T HA 0.280 4.630 4.350 -0.000 0.000 0.255 682 T C 1.509 176.208 174.700 -0.001 0.000 1.035 682 T CA -0.106 62.000 62.100 0.009 0.000 0.941 682 T CB 0.149 69.034 68.868 0.028 0.000 1.026 682 T HN 0.186 nan 8.240 nan 0.000 0.533 683 I N 0.432 121.003 120.570 0.003 0.000 3.616 683 I HA 0.223 4.392 4.170 -0.000 0.000 0.296 683 I C 2.645 178.736 176.117 -0.043 0.000 1.226 683 I CA 0.227 61.518 61.300 -0.015 0.000 1.394 683 I CB -0.090 37.938 38.000 0.047 0.000 1.171 683 I HN 0.141 nan 8.210 nan 0.000 0.442 684 A N 1.973 124.780 122.820 -0.021 0.000 1.841 684 A HA -0.237 4.083 4.320 -0.000 0.000 0.214 684 A C 2.121 179.674 177.584 -0.051 0.000 1.195 684 A CA 2.141 54.162 52.037 -0.026 0.000 0.611 684 A CB -0.725 18.269 19.000 -0.010 0.000 0.835 684 A HN 0.540 nan 8.150 nan 0.000 0.443 685 E N 0.470 120.640 120.200 -0.050 0.000 2.118 685 E HA -0.046 4.304 4.350 -0.000 0.000 0.195 685 E C 1.751 178.282 176.600 -0.115 0.000 0.992 685 E CA 1.695 58.053 56.400 -0.070 0.000 0.804 685 E CB -0.613 29.055 29.700 -0.053 0.000 0.741 685 E HN 0.451 nan 8.360 nan 0.000 0.458 686 A N 0.880 123.630 122.820 -0.117 0.000 2.015 686 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 686 A C 2.072 179.538 177.584 -0.196 0.000 1.163 686 A CA 1.363 53.298 52.037 -0.169 0.000 0.646 686 A CB -0.335 18.583 19.000 -0.138 0.000 0.806 686 A HN 0.173 nan 8.150 nan 0.000 0.448 687 K N -0.133 120.178 120.400 -0.148 0.000 2.057 687 K HA -0.084 4.235 4.320 -0.000 0.000 0.206 687 K C 1.913 178.447 176.600 -0.111 0.000 1.050 687 K CA 1.466 57.676 56.287 -0.127 0.000 0.935 687 K CB -0.129 32.324 32.500 -0.079 0.000 0.715 687 K HN 0.396 nan 8.250 nan 0.000 0.439 688 K N 0.819 121.155 120.400 -0.107 0.000 2.155 688 K HA -0.101 4.219 4.320 -0.000 0.000 0.203 688 K C 1.834 178.346 176.600 -0.147 0.000 1.052 688 K CA 0.759 56.989 56.287 -0.095 0.000 0.948 688 K CB 0.064 32.520 32.500 -0.073 0.000 0.728 688 K HN -0.009 nan 8.250 nan 0.000 0.448 689 K N 0.962 121.212 120.400 -0.250 0.000 2.574 689 K HA -0.056 4.264 4.320 -0.000 0.000 0.193 689 K C 1.298 177.619 176.600 -0.465 0.000 1.035 689 K CA 0.351 56.377 56.287 -0.435 0.000 0.982 689 K CB 0.321 32.409 32.500 -0.687 0.000 0.795 689 K HN -0.060 nan 8.250 nan 0.000 0.491 690 V N 0.202 119.982 119.914 -0.224 0.000 2.743 690 V HA -0.113 4.007 4.120 -0.000 0.000 0.237 690 V C 1.731 177.853 176.094 0.048 0.000 1.113 690 V CA 0.635 62.907 62.300 -0.046 0.000 1.141 690 V CB 0.030 31.831 31.823 -0.038 0.000 0.873 690 V HN 0.326 nan 8.190 nan 0.000 0.486 691 L N 0.739 121.967 121.223 0.009 0.000 2.081 691 L HA -0.213 4.127 4.340 -0.000 0.000 0.212 691 L C 1.767 178.661 176.870 0.040 0.000 1.080 691 L CA 2.386 57.246 54.840 0.035 0.000 0.754 691 L CB -0.833 41.228 42.059 0.004 0.000 0.893 691 L HN 0.318 nan 8.230 nan 0.000 0.433 692 D N -0.486 119.920 120.400 0.009 0.000 2.084 692 D HA -0.136 4.503 4.640 -0.000 0.000 0.194 692 D C 2.051 178.391 176.300 0.066 0.000 0.990 692 D CA 1.832 55.840 54.000 0.013 0.000 0.826 692 D CB -0.133 40.648 40.800 -0.032 0.000 0.971 692 D HN 0.292 nan 8.370 nan 0.000 0.453 693 V N 0.223 120.213 119.914 0.127 0.000 3.573 693 V HA -0.038 4.082 4.120 -0.000 0.000 0.270 693 V C 1.834 178.109 176.094 0.301 0.000 1.221 693 V CA 1.181 63.619 62.300 0.230 0.000 1.163 693 V CB -0.279 31.758 31.823 0.356 0.000 0.847 693 V HN 0.191 nan 8.190 nan 0.000 0.468 694 T N -1.056 113.643 114.554 0.241 0.000 3.010 694 T HA 0.003 4.353 4.350 -0.000 0.000 0.252 694 T C 2.019 176.709 174.700 -0.018 0.000 1.047 694 T CA 0.404 62.591 62.100 0.145 0.000 1.140 694 T CB 0.018 69.009 68.868 0.205 0.000 0.885 694 T HN 0.244 nan 8.240 nan 0.000 0.464 695 K N 1.723 122.134 120.400 0.019 0.000 2.025 695 K HA -0.010 4.310 4.320 -0.000 0.000 0.207 695 K C 2.038 178.626 176.600 -0.020 0.000 1.049 695 K CA 1.070 57.352 56.287 -0.008 0.000 0.933 695 K CB -0.403 32.100 32.500 0.006 0.000 0.714 695 K HN 0.431 nan 8.250 nan 0.000 0.438 696 E N 0.044 120.249 120.200 0.008 0.000 2.515 696 E HA -0.060 4.290 4.350 -0.000 0.000 0.201 696 E C 1.016 177.606 176.600 -0.016 0.000 1.071 696 E CA 0.346 56.752 56.400 0.010 0.000 0.880 696 E CB 0.188 29.915 29.700 0.046 0.000 0.828 696 E HN 0.274 nan 8.360 nan 0.000 0.540 697 A N -0.074 122.699 122.820 -0.078 0.000 2.070 697 A HA 0.105 4.425 4.320 -0.000 0.000 0.202 697 A C 1.210 178.674 177.584 -0.199 0.000 1.277 697 A CA -0.206 51.726 52.037 -0.174 0.000 0.872 697 A CB 0.337 19.099 19.000 -0.398 0.000 0.933 697 A HN 0.154 nan 8.150 nan 0.000 0.475 698 Q N 0.032 119.724 119.800 -0.180 0.000 2.938 698 Q HA 0.531 4.871 4.340 -0.000 0.000 0.343 698 Q C 0.282 176.231 176.000 -0.085 0.000 1.185 698 Q CA 0.281 55.998 55.803 -0.144 0.000 0.939 698 Q CB 0.026 28.689 28.738 -0.126 0.000 1.480 698 Q HN 0.598 nan 8.270 nan 0.000 0.442 699 A N 0.801 123.576 122.820 -0.076 0.000 2.552 699 A HA 0.052 4.372 4.320 -0.000 0.000 0.177 699 A C 0.570 178.129 177.584 -0.042 0.000 1.677 699 A CA 0.075 52.083 52.037 -0.047 0.000 1.096 699 A CB 0.039 19.020 19.000 -0.033 0.000 1.174 699 A HN 0.487 nan 8.150 nan 0.000 0.435 700 N N -0.661 118.006 118.700 -0.056 0.000 2.741 700 N HA -0.153 4.587 4.740 -0.000 0.000 0.251 700 N C -0.241 175.254 175.510 -0.025 0.000 1.112 700 N CA 1.238 54.262 53.050 -0.044 0.000 0.750 700 N CB -1.966 36.500 38.487 -0.036 0.000 1.119 700 N HN 0.546 nan 8.380 nan 0.000 0.561 701 L N 0.256 121.467 121.223 -0.020 0.000 2.934 701 L HA 0.393 4.733 4.340 -0.000 0.000 0.233 701 L C -0.002 176.873 176.870 0.008 0.000 1.358 701 L CA 0.056 54.893 54.840 -0.004 0.000 1.233 701 L CB -0.220 41.838 42.059 -0.001 0.000 1.594 701 L HN 0.171 nan 8.230 nan 0.000 0.439 702 L N -0.750 120.477 121.223 0.008 0.000 2.591 702 L HA 0.377 4.717 4.340 -0.000 0.000 0.257 702 L C -0.467 176.413 176.870 0.016 0.000 0.935 702 L CA -0.340 54.513 54.840 0.022 0.000 0.873 702 L CB 2.781 44.862 42.059 0.037 0.000 1.397 702 L HN -0.000 nan 8.230 nan 0.000 0.414 703 T N 1.156 115.723 114.554 0.021 0.000 2.928 703 T HA 0.579 4.928 4.350 -0.000 0.000 0.284 703 T C 0.108 174.822 174.700 0.023 0.000 1.008 703 T CA -0.427 61.683 62.100 0.018 0.000 1.057 703 T CB 1.718 70.596 68.868 0.016 0.000 1.018 703 T HN 0.607 nan 8.240 nan 0.000 0.493 704 A N 2.962 125.795 122.820 0.022 0.000 2.410 704 A HA 0.264 4.583 4.320 -0.000 0.000 0.292 704 A C 0.370 177.975 177.584 0.034 0.000 1.232 704 A CA -0.425 51.626 52.037 0.024 0.000 0.893 704 A CB -0.419 18.591 19.000 0.017 0.000 1.131 704 A HN 0.771 nan 8.150 nan 0.000 0.530 705 K N 3.158 123.577 120.400 0.031 0.000 2.366 705 K HA -0.021 4.299 4.320 -0.000 0.000 0.279 705 K C 0.050 176.681 176.600 0.052 0.000 1.098 705 K CA 0.005 56.316 56.287 0.041 0.000 1.087 705 K CB -0.064 32.452 32.500 0.025 0.000 0.901 705 K HN 0.827 nan 8.250 nan 0.000 0.463 706 H N 1.816 120.873 119.070 -0.022 0.000 3.204 706 H HA -0.167 4.389 4.556 -0.000 0.000 0.278 706 H C 1.376 176.690 175.328 -0.024 0.000 0.879 706 H CA 2.138 58.169 56.048 -0.029 0.000 1.410 706 H CB -0.073 29.662 29.762 -0.045 0.000 1.322 706 H HN 0.874 nan 8.280 nan 0.000 0.544 707 G N 3.163 111.644 108.800 -0.532 0.000 2.213 707 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.236 707 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.236 707 G C 0.142 174.939 174.900 -0.172 0.000 0.991 707 G CA 0.237 45.097 45.100 -0.399 0.000 0.629 707 G HN 0.680 nan 8.290 nan 0.000 0.517 708 M N 0.998 120.533 119.600 -0.107 0.000 2.598 708 M HA 0.542 5.022 4.480 -0.000 0.000 0.317 708 M C 0.203 176.485 176.300 -0.029 0.000 1.179 708 M CA -0.599 54.671 55.300 -0.050 0.000 0.936 708 M CB 2.098 34.684 32.600 -0.025 0.000 1.713 708 M HN 0.018 nan 8.290 nan 0.000 0.460 709 T N 1.639 116.186 114.554 -0.011 0.000 2.913 709 T HA 0.184 4.534 4.350 -0.000 0.000 0.297 709 T C 1.280 175.989 174.700 0.015 0.000 1.029 709 T CA -0.521 61.580 62.100 0.001 0.000 1.104 709 T CB 0.723 69.597 68.868 0.009 0.000 0.964 709 T HN 0.427 nan 8.240 nan 0.000 0.532 710 L N 2.137 123.367 121.223 0.010 0.000 2.081 710 L HA -0.094 4.245 4.340 -0.000 0.000 0.212 710 L C 2.570 179.461 176.870 0.035 0.000 1.080 710 L CA 1.742 56.590 54.840 0.014 0.000 0.754 710 L CB -0.761 41.293 42.059 -0.009 0.000 0.893 710 L HN 0.510 nan 8.230 nan 0.000 0.433 711 R N -0.243 120.278 120.500 0.034 0.000 2.057 711 R HA -0.089 4.251 4.340 -0.000 0.000 0.229 711 R C 2.260 178.645 176.300 0.142 0.000 1.136 711 R CA 1.155 57.298 56.100 0.071 0.000 0.952 711 R CB -0.175 30.158 30.300 0.054 0.000 0.848 711 R HN 0.415 nan 8.270 nan 0.000 0.430 712 E N -0.409 119.843 120.200 0.086 0.000 2.097 712 E HA -0.212 4.138 4.350 -0.000 0.000 0.196 712 E C 1.910 178.545 176.600 0.058 0.000 1.000 712 E CA 1.693 58.133 56.400 0.066 0.000 0.804 712 E CB -0.140 29.579 29.700 0.032 0.000 0.740 712 E HN 0.222 nan 8.360 nan 0.000 0.454 713 S N 0.328 116.066 115.700 0.062 0.000 2.447 713 S HA -0.109 4.361 4.470 -0.000 0.000 0.233 713 S C 1.421 176.074 174.600 0.089 0.000 1.006 713 S CA 0.526 58.755 58.200 0.049 0.000 0.957 713 S CB -0.208 63.018 63.200 0.044 0.000 0.773 713 S HN 0.276 nan 8.310 nan 0.000 0.507 714 F N 2.857 122.794 119.950 -0.022 0.000 2.098 714 F HA -0.026 4.501 4.527 -0.000 0.000 0.294 714 F C 2.193 177.993 175.800 0.001 0.000 1.107 714 F CA 1.278 59.267 58.000 -0.018 0.000 1.234 714 F CB -0.527 38.447 39.000 -0.044 0.000 1.002 714 F HN 0.030 nan 8.300 nan 0.000 0.472 715 E N 0.469 120.578 120.200 -0.153 0.000 2.021 715 E HA -0.298 4.052 4.350 -0.000 0.000 0.200 715 E C 2.091 178.563 176.600 -0.213 0.000 1.015 715 E CA 1.574 57.836 56.400 -0.232 0.000 0.824 715 E CB -1.129 28.543 29.700 -0.048 0.000 0.762 715 E HN 0.473 nan 8.360 nan 0.000 0.454 716 D N 0.477 120.804 120.400 -0.121 0.000 2.315 716 D HA -0.209 4.431 4.640 -0.000 0.000 0.198 716 D C 1.271 177.447 176.300 -0.206 0.000 1.010 716 D CA 1.007 54.937 54.000 -0.118 0.000 0.911 716 D CB 0.055 40.812 40.800 -0.071 0.000 0.897 716 D HN 0.161 nan 8.370 nan 0.000 0.455 717 N N -0.512 118.017 118.700 -0.285 0.000 2.349 717 N HA -0.068 4.671 4.740 -0.000 0.000 0.180 717 N C 2.199 177.392 175.510 -0.529 0.000 1.024 717 N CA 0.657 53.405 53.050 -0.504 0.000 0.869 717 N CB -0.322 37.911 38.487 -0.423 0.000 1.022 717 N HN 0.125 nan 8.380 nan 0.000 0.433 718 V N 1.893 121.610 119.914 -0.328 0.000 2.282 718 V HA -0.203 3.917 4.120 -0.000 0.000 0.249 718 V C 2.618 178.663 176.094 -0.082 0.000 1.057 718 V CA 1.469 63.679 62.300 -0.151 0.000 1.032 718 V CB -1.015 30.610 31.823 -0.331 0.000 0.645 718 V HN 0.016 nan 8.190 nan 0.000 0.447 719 V N 0.153 119.989 119.914 -0.130 0.000 2.261 719 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 719 V C 2.509 178.577 176.094 -0.044 0.000 1.047 719 V CA 2.258 64.524 62.300 -0.056 0.000 1.015 719 V CB -0.926 30.864 31.823 -0.054 0.000 0.642 719 V HN 0.408 nan 8.190 nan 0.000 0.446 720 R N -1.167 119.251 120.500 -0.137 0.000 2.285 720 R HA 0.003 4.343 4.340 -0.000 0.000 0.213 720 R C 2.084 178.340 176.300 -0.074 0.000 1.068 720 R CA 1.152 57.170 56.100 -0.136 0.000 1.004 720 R CB -0.275 29.883 30.300 -0.236 0.000 0.873 720 R HN 0.533 nan 8.270 nan 0.000 0.467 721 F N -0.238 119.685 119.950 -0.045 0.000 2.188 721 F HA -0.019 4.507 4.527 -0.000 0.000 0.289 721 F C 2.003 177.763 175.800 -0.067 0.000 1.082 721 F CA 0.271 58.237 58.000 -0.056 0.000 1.282 721 F CB 0.057 39.007 39.000 -0.084 0.000 1.060 721 F HN -0.095 nan 8.300 nan 0.000 0.493 722 L N -0.024 121.267 121.223 0.113 0.000 2.083 722 L HA -0.236 4.103 4.340 -0.000 0.000 0.209 722 L C 1.947 178.898 176.870 0.136 0.000 1.083 722 L CA 0.977 55.803 54.840 -0.024 0.000 0.752 722 L CB -0.771 41.228 42.059 -0.099 0.000 0.899 722 L HN 0.151 nan 8.230 nan 0.000 0.433 723 N N 0.396 119.180 118.700 0.140 0.000 2.058 723 N HA -0.191 4.549 4.740 -0.000 0.000 0.191 723 N C 1.779 177.366 175.510 0.128 0.000 1.037 723 N CA 1.334 54.466 53.050 0.137 0.000 0.848 723 N CB -0.163 38.377 38.487 0.090 0.000 1.021 723 N HN 0.341 nan 8.380 nan 0.000 0.422 724 E N 0.067 120.337 120.200 0.117 0.000 2.204 724 E HA -0.056 4.294 4.350 -0.000 0.000 0.194 724 E C 1.794 178.460 176.600 0.111 0.000 0.989 724 E CA 0.807 57.275 56.400 0.113 0.000 0.824 724 E CB -0.024 29.747 29.700 0.119 0.000 0.756 724 E HN 0.373 nan 8.360 nan 0.000 0.477 725 A N 1.693 124.577 122.820 0.107 0.000 1.832 725 A HA -0.208 4.111 4.320 -0.000 0.000 0.214 725 A C 2.098 179.757 177.584 0.124 0.000 1.200 725 A CA 1.525 53.611 52.037 0.082 0.000 0.610 725 A CB -0.555 18.456 19.000 0.019 0.000 0.842 725 A HN 0.112 nan 8.150 nan 0.000 0.444 726 R N -0.190 120.419 120.500 0.183 0.000 2.119 726 R HA -0.263 4.077 4.340 -0.000 0.000 0.246 726 R C 1.600 177.989 176.300 0.148 0.000 1.146 726 R CA 2.397 58.613 56.100 0.195 0.000 0.962 726 R CB -0.707 29.730 30.300 0.228 0.000 0.863 726 R HN 0.502 nan 8.270 nan 0.000 0.442 727 D N 0.028 120.525 120.400 0.161 0.000 2.133 727 D HA -0.207 4.432 4.640 -0.000 0.000 0.195 727 D C 1.884 178.329 176.300 0.242 0.000 0.997 727 D CA 2.253 56.382 54.000 0.214 0.000 0.840 727 D CB 0.037 40.936 40.800 0.164 0.000 0.947 727 D HN 0.558 nan 8.370 nan 0.000 0.452 728 K N -0.191 120.304 120.400 0.158 0.000 2.262 728 K HA 0.279 4.599 4.320 -0.000 0.000 0.200 728 K C 2.104 178.786 176.600 0.137 0.000 1.049 728 K CA 0.712 57.078 56.287 0.132 0.000 0.979 728 K CB 0.052 32.602 32.500 0.082 0.000 0.773 728 K HN 0.009 nan 8.250 nan 0.000 0.474 729 A N 2.175 125.070 122.820 0.125 0.000 1.903 729 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 729 A C 2.494 180.143 177.584 0.108 0.000 1.191 729 A CA 2.204 54.301 52.037 0.100 0.000 0.638 729 A CB -1.577 17.480 19.000 0.095 0.000 0.823 729 A HN 0.546 nan 8.150 nan 0.000 0.451 730 G N -1.445 107.441 108.800 0.143 0.000 2.394 730 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.214 730 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.214 730 G C 1.693 176.813 174.900 0.367 0.000 1.176 730 G CA 0.790 45.990 45.100 0.168 0.000 0.786 730 G HN 0.515 nan 8.290 nan 0.000 0.533 731 R N -0.228 120.522 120.500 0.418 0.000 2.211 731 R HA 0.017 4.357 4.340 -0.000 0.000 0.240 731 R C 2.472 178.845 176.300 0.122 0.000 1.144 731 R CA 0.662 56.885 56.100 0.205 0.000 0.992 731 R CB -0.269 30.055 30.300 0.040 0.000 0.869 731 R HN 0.378 nan 8.270 nan 0.000 0.462 732 L N -0.957 120.336 121.223 0.116 0.000 2.109 732 L HA -0.099 4.241 4.340 -0.000 0.000 0.207 732 L C 2.532 179.448 176.870 0.076 0.000 1.086 732 L CA 1.184 56.070 54.840 0.076 0.000 0.760 732 L CB -0.481 41.617 42.059 0.065 0.000 0.910 732 L HN 0.234 nan 8.230 nan 0.000 0.437 733 A N -0.047 122.830 122.820 0.095 0.000 1.930 733 A HA -0.204 4.115 4.320 -0.000 0.000 0.215 733 A C 2.219 179.863 177.584 0.100 0.000 1.176 733 A CA 1.312 53.399 52.037 0.084 0.000 0.632 733 A CB -0.421 18.622 19.000 0.072 0.000 0.819 733 A HN 0.450 nan 8.150 nan 0.000 0.445 734 E N 0.071 120.362 120.200 0.151 0.000 2.065 734 E HA -0.201 4.149 4.350 -0.000 0.000 0.201 734 E C 1.373 178.023 176.600 0.083 0.000 1.016 734 E CA 2.071 58.562 56.400 0.151 0.000 0.818 734 E CB -0.191 29.614 29.700 0.175 0.000 0.749 734 E HN 0.290 nan 8.360 nan 0.000 0.453 735 V N 1.743 121.692 119.914 0.059 0.000 3.573 735 V HA -0.056 4.064 4.120 -0.000 0.000 0.270 735 V C 1.796 177.916 176.094 0.043 0.000 1.221 735 V CA 1.003 63.327 62.300 0.039 0.000 1.163 735 V CB -0.426 31.412 31.823 0.024 0.000 0.847 735 V HN 0.346 nan 8.190 nan 0.000 0.468 736 N N 0.400 119.131 118.700 0.052 0.000 2.280 736 N HA 0.127 4.866 4.740 -0.000 0.000 0.192 736 N C 0.267 175.805 175.510 0.046 0.000 1.109 736 N CA 0.123 53.200 53.050 0.046 0.000 0.855 736 N CB 0.391 38.905 38.487 0.045 0.000 0.974 736 N HN 0.394 nan 8.380 nan 0.000 0.482 737 L N 2.741 123.996 121.223 0.054 0.000 2.277 737 L HA 0.280 4.619 4.340 -0.000 0.000 0.284 737 L C -0.030 176.872 176.870 0.054 0.000 1.028 737 L CA -0.887 53.985 54.840 0.055 0.000 0.835 737 L CB 1.137 43.234 42.059 0.064 0.000 1.215 737 L HN -0.161 nan 8.230 nan 0.000 0.425 738 K N 1.057 121.486 120.400 0.049 0.000 2.274 738 K HA -0.050 4.270 4.320 -0.000 0.000 0.255 738 K C 0.297 176.933 176.600 0.059 0.000 1.005 738 K CA 0.017 56.334 56.287 0.050 0.000 0.864 738 K CB 0.208 32.736 32.500 0.046 0.000 1.013 738 K HN 0.318 nan 8.250 nan 0.000 0.519 739 D N 0.017 120.453 120.400 0.059 0.000 2.355 739 D HA 0.030 4.669 4.640 -0.000 0.000 0.253 739 D C 0.625 176.974 176.300 0.082 0.000 1.187 739 D CA 0.435 54.475 54.000 0.067 0.000 0.900 739 D CB -0.349 40.487 40.800 0.060 0.000 0.915 739 D HN 0.521 nan 8.370 nan 0.000 0.516 740 L N -3.596 117.675 121.223 0.081 0.000 2.948 740 L HA 0.319 4.659 4.340 -0.000 0.000 0.259 740 L C 0.427 177.354 176.870 0.095 0.000 1.136 740 L CA -0.504 54.391 54.840 0.092 0.000 0.959 740 L CB -0.081 42.021 42.059 0.071 0.000 1.370 740 L HN -0.243 nan 8.230 nan 0.000 0.552 741 N N 1.852 120.602 118.700 0.082 0.000 2.411 741 N HA -0.059 4.680 4.740 -0.000 0.000 0.265 741 N C 0.452 176.029 175.510 0.112 0.000 1.266 741 N CA 0.042 53.137 53.050 0.075 0.000 0.889 741 N CB 0.452 38.980 38.487 0.068 0.000 1.069 741 N HN 0.333 nan 8.380 nan 0.000 0.476 742 N N 3.064 121.813 118.700 0.082 0.000 2.084 742 N HA -0.158 4.582 4.740 -0.000 0.000 0.190 742 N C 1.598 177.230 175.510 0.203 0.000 1.030 742 N CA 1.031 54.159 53.050 0.130 0.000 0.849 742 N CB -0.250 38.128 38.487 -0.182 0.000 1.012 742 N HN 0.336 nan 8.380 nan 0.000 0.423 743 V N 2.031 122.010 119.914 0.107 0.000 2.324 743 V HA -0.269 3.851 4.120 -0.000 0.000 0.250 743 V C 2.579 178.752 176.094 0.131 0.000 1.060 743 V CA 1.708 64.077 62.300 0.115 0.000 1.042 743 V CB -0.552 31.315 31.823 0.073 0.000 0.650 743 V HN 0.368 nan 8.190 nan 0.000 0.450 744 K N -0.216 120.256 120.400 0.120 0.000 1.991 744 K HA -0.264 4.056 4.320 -0.000 0.000 0.212 744 K C 2.284 178.956 176.600 0.121 0.000 1.049 744 K CA 1.994 58.347 56.287 0.111 0.000 0.932 744 K CB -0.265 32.294 32.500 0.097 0.000 0.717 744 K HN 0.521 nan 8.250 nan 0.000 0.441 745 Q N -0.107 119.786 119.800 0.155 0.000 2.118 745 Q HA -0.220 4.120 4.340 -0.000 0.000 0.211 745 Q C 2.086 178.148 176.000 0.104 0.000 0.998 745 Q CA 2.142 58.031 55.803 0.143 0.000 0.872 745 Q CB -0.177 28.705 28.738 0.240 0.000 0.925 745 Q HN 0.447 nan 8.270 nan 0.000 0.414 746 M N -0.149 119.560 119.600 0.182 0.000 2.700 746 M HA -0.091 4.389 4.480 -0.000 0.000 0.249 746 M C 1.391 177.745 176.300 0.091 0.000 1.082 746 M CA 0.655 56.036 55.300 0.136 0.000 1.077 746 M CB 0.306 33.039 32.600 0.222 0.000 1.477 746 M HN 0.102 nan 8.290 nan 0.000 0.529 747 V N -0.838 119.129 119.914 0.088 0.000 3.085 747 V HA -0.052 4.067 4.120 -0.000 0.000 0.245 747 V C 2.023 178.150 176.094 0.055 0.000 1.114 747 V CA 0.730 63.075 62.300 0.074 0.000 1.108 747 V CB -0.065 31.811 31.823 0.088 0.000 0.798 747 V HN 0.419 nan 8.190 nan 0.000 0.471 748 M N 0.495 120.125 119.600 0.049 0.000 2.123 748 M HA -0.003 4.477 4.480 -0.000 0.000 0.263 748 M C 2.448 178.756 176.300 0.013 0.000 1.069 748 M CA 1.890 57.209 55.300 0.031 0.000 1.133 748 M CB -0.576 32.043 32.600 0.031 0.000 1.356 748 M HN 0.338 nan 8.290 nan 0.000 0.415 749 A N 0.419 123.240 122.820 0.001 0.000 1.948 749 A HA -0.021 4.299 4.320 -0.000 0.000 0.220 749 A C 1.866 179.447 177.584 -0.005 0.000 1.177 749 A CA 1.786 53.810 52.037 -0.022 0.000 0.636 749 A CB -1.275 17.695 19.000 -0.051 0.000 0.815 749 A HN 0.750 nan 8.150 nan 0.000 0.449 750 G N -1.662 107.146 108.800 0.014 0.000 2.132 750 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.228 750 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.228 750 G C 0.731 175.646 174.900 0.026 0.000 1.000 750 G CA 1.083 46.196 45.100 0.022 0.000 0.693 750 G HN 1.594 nan 8.290 nan 0.000 0.515 751 S N -1.646 114.070 115.700 0.027 0.000 2.556 751 S HA 0.607 5.076 4.470 -0.000 0.000 0.216 751 S C 0.562 175.192 174.600 0.049 0.000 0.970 751 S CA 0.625 58.846 58.200 0.035 0.000 0.912 751 S CB 0.869 64.084 63.200 0.025 0.000 0.790 751 S HN 0.417 nan 8.310 nan 0.000 0.504 752 K N 0.244 120.676 120.400 0.054 0.000 2.738 752 K HA 0.427 4.747 4.320 -0.000 0.000 0.278 752 K C 0.018 176.655 176.600 0.062 0.000 1.069 752 K CA 0.504 56.827 56.287 0.059 0.000 0.942 752 K CB 0.882 33.424 32.500 0.070 0.000 1.381 752 K HN 0.554 nan 8.250 nan 0.000 0.399 753 G N 1.483 110.315 108.800 0.053 0.000 2.953 753 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.421 753 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.421 753 G C -0.430 174.507 174.900 0.061 0.000 1.531 753 G CA 0.195 45.327 45.100 0.052 0.000 0.971 753 G HN 1.397 nan 8.290 nan 0.000 0.558 754 S N -0.898 114.840 115.700 0.062 0.000 2.705 754 S HA 0.696 5.166 4.470 -0.000 0.000 0.280 754 S C 0.765 175.438 174.600 0.121 0.000 1.174 754 S CA 0.362 58.620 58.200 0.097 0.000 0.823 754 S CB 1.383 64.642 63.200 0.099 0.000 1.162 754 S HN 2.016 nan 8.310 nan 0.000 0.487 755 F N 2.011 121.970 119.950 0.015 0.000 2.054 755 F HA -0.295 4.231 4.527 -0.000 0.000 0.294 755 F C 1.862 177.662 175.800 0.000 0.000 1.126 755 F CA 2.445 60.451 58.000 0.010 0.000 1.226 755 F CB -1.305 37.700 39.000 0.009 0.000 0.947 755 F HN 0.628 nan 8.300 nan 0.000 0.509 756 I N 0.469 120.839 120.570 -0.334 0.000 2.141 756 I HA -0.525 3.645 4.170 -0.000 0.000 0.243 756 I C 2.437 178.353 176.117 -0.336 0.000 1.035 756 I CA 2.066 63.096 61.300 -0.451 0.000 1.302 756 I CB -1.214 36.684 38.000 -0.170 0.000 1.006 756 I HN 0.377 nan 8.210 nan 0.000 0.413 757 N N 1.162 119.766 118.700 -0.160 0.000 2.018 757 N HA -0.191 4.549 4.740 -0.000 0.000 0.196 757 N C 1.977 177.420 175.510 -0.110 0.000 1.043 757 N CA 2.128 55.123 53.050 -0.093 0.000 0.856 757 N CB -0.369 38.109 38.487 -0.014 0.000 1.042 757 N HN 0.416 nan 8.380 nan 0.000 0.423 758 I N 1.635 122.152 120.570 -0.089 0.000 2.118 758 I HA -0.309 3.861 4.170 -0.000 0.000 0.241 758 I C 2.590 178.627 176.117 -0.134 0.000 1.070 758 I CA 1.314 62.579 61.300 -0.058 0.000 1.327 758 I CB -0.669 37.339 38.000 0.013 0.000 1.034 758 I HN 0.067 nan 8.210 nan 0.000 0.405 759 A N 0.782 123.433 122.820 -0.282 0.000 1.863 759 A HA -0.336 3.984 4.320 -0.000 0.000 0.218 759 A C 2.239 179.653 177.584 -0.283 0.000 1.233 759 A CA 2.314 54.149 52.037 -0.336 0.000 0.655 759 A CB -1.093 17.530 19.000 -0.628 0.000 0.839 759 A HN 0.576 nan 8.150 nan 0.000 0.454 760 Q N -1.295 118.298 119.800 -0.344 0.000 2.508 760 Q HA -0.018 4.321 4.340 -0.000 0.000 0.214 760 Q C 1.740 177.432 176.000 -0.512 0.000 0.979 760 Q CA 1.128 56.644 55.803 -0.479 0.000 0.911 760 Q CB -0.191 28.241 28.738 -0.511 0.000 0.969 760 Q HN 0.758 nan 8.270 nan 0.000 0.504 761 M N -2.079 117.393 119.600 -0.215 0.000 2.449 761 M HA 0.067 4.547 4.480 -0.000 0.000 0.262 761 M C 1.243 177.536 176.300 -0.013 0.000 1.152 761 M CA 0.497 55.778 55.300 -0.032 0.000 1.104 761 M CB 0.902 33.540 32.600 0.063 0.000 1.416 761 M HN -0.032 nan 8.290 nan 0.000 0.519 762 S N -0.345 115.326 115.700 -0.049 0.000 2.554 762 S HA 0.402 4.871 4.470 -0.000 0.000 0.227 762 S C 1.146 175.730 174.600 -0.026 0.000 1.050 762 S CA 0.182 58.372 58.200 -0.017 0.000 0.927 762 S CB 0.756 63.957 63.200 0.001 0.000 0.859 762 S HN 0.394 nan 8.310 nan 0.000 0.494 763 A N 0.548 123.330 122.820 -0.063 0.000 2.336 763 A HA 0.604 4.924 4.320 -0.000 0.000 0.212 763 A C 0.353 177.894 177.584 -0.073 0.000 2.317 763 A CA 0.215 52.224 52.037 -0.047 0.000 1.564 763 A CB -0.398 18.583 19.000 -0.032 0.000 1.096 763 A HN 0.510 nan 8.150 nan 0.000 0.441 764 C N 0.065 119.299 119.300 -0.110 0.000 2.369 764 C HA 0.621 5.081 4.460 -0.000 0.000 0.322 764 C C 1.696 176.516 174.990 -0.284 0.000 1.258 764 C CA -0.267 58.666 59.018 -0.141 0.000 1.487 764 C CB 0.428 28.148 27.740 -0.033 0.000 2.165 764 C HN 0.547 nan 8.230 nan 0.000 0.483 765 V N 5.717 125.403 119.914 -0.380 0.000 2.332 765 V HA 0.240 4.360 4.120 -0.000 0.000 0.248 765 V C 1.730 177.556 176.094 -0.446 0.000 1.055 765 V CA 2.509 64.492 62.300 -0.528 0.000 1.038 765 V CB -1.411 30.083 31.823 -0.548 0.000 0.651 765 V HN 1.619 nan 8.190 nan 0.000 0.450 766 G N -0.782 107.710 108.800 -0.514 0.000 2.343 766 G HA2 0.047 4.007 3.960 -0.000 0.000 0.562 766 G HA3 0.047 4.007 3.960 -0.000 0.000 0.562 766 G C -0.942 173.529 174.900 -0.715 0.000 1.269 766 G CA -0.108 44.666 45.100 -0.543 0.000 1.011 766 G HN 0.474 nan 8.290 nan 0.000 0.498 767 Q N 0.135 119.680 119.800 -0.424 0.000 2.243 767 Q HA 0.634 4.974 4.340 -0.000 0.000 0.252 767 Q C 0.103 176.051 176.000 -0.088 0.000 0.909 767 Q CA -0.325 55.369 55.803 -0.180 0.000 0.922 767 Q CB 1.009 29.820 28.738 0.122 0.000 1.215 767 Q HN 0.527 nan 8.270 nan 0.000 0.427 768 Q N 1.519 121.305 119.800 -0.023 0.000 2.221 768 Q HA 0.627 4.966 4.340 -0.000 0.000 0.242 768 Q C -1.003 174.986 176.000 -0.019 0.000 0.940 768 Q CA -0.307 55.501 55.803 0.008 0.000 0.896 768 Q CB 1.890 30.684 28.738 0.094 0.000 1.226 768 Q HN 0.704 nan 8.270 nan 0.000 0.463 769 S N -0.075 115.603 115.700 -0.036 0.000 2.543 769 S HA 0.654 5.124 4.470 -0.000 0.000 0.274 769 S C -1.646 172.881 174.600 -0.121 0.000 1.149 769 S CA -0.572 57.585 58.200 -0.071 0.000 0.866 769 S CB 1.173 64.351 63.200 -0.037 0.000 1.111 769 S HN 0.238 nan 8.310 nan 0.000 0.457 770 V N 3.464 123.273 119.914 -0.175 0.000 2.962 770 V HA 0.602 4.721 4.120 -0.000 0.000 0.313 770 V C 0.022 175.906 176.094 -0.350 0.000 1.099 770 V CA -0.749 61.405 62.300 -0.243 0.000 0.971 770 V CB 1.754 33.485 31.823 -0.152 0.000 1.028 770 V HN 1.067 nan 8.190 nan 0.000 0.430 771 E N 2.160 122.039 120.200 -0.534 0.000 2.499 771 E HA -0.358 3.992 4.350 -0.000 0.000 0.247 771 E C 1.313 177.705 176.600 -0.346 0.000 1.257 771 E CA 1.078 57.206 56.400 -0.452 0.000 0.717 771 E CB -1.230 28.449 29.700 -0.034 0.000 1.264 771 E HN 1.574 nan 8.360 nan 0.000 0.407 772 G N -0.335 108.096 108.800 -0.616 0.000 2.225 772 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.254 772 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.254 772 G C 0.220 175.079 174.900 -0.068 0.000 0.988 772 G CA 0.902 45.888 45.100 -0.191 0.000 0.625 772 G HN 0.312 nan 8.290 nan 0.000 0.527 773 K N 1.043 121.388 120.400 -0.092 0.000 2.270 773 K HA 0.562 4.882 4.320 -0.000 0.000 0.255 773 K C 0.614 177.151 176.600 -0.106 0.000 0.936 773 K CA -1.010 55.232 56.287 -0.075 0.000 0.809 773 K CB 1.314 33.773 32.500 -0.068 0.000 1.131 773 K HN 0.439 nan 8.250 nan 0.000 0.427 774 R N 2.515 122.956 120.500 -0.099 0.000 2.566 774 R HA -0.010 4.330 4.340 -0.000 0.000 0.273 774 R C 0.091 176.277 176.300 -0.190 0.000 0.981 774 R CA -0.474 55.555 56.100 -0.119 0.000 1.091 774 R CB -0.404 29.840 30.300 -0.094 0.000 0.924 774 R HN 0.481 nan 8.270 nan 0.000 0.411 775 I N 1.594 122.033 120.570 -0.218 0.000 3.467 775 I HA -0.284 3.886 4.170 -0.000 0.000 0.340 775 I C 1.390 177.353 176.117 -0.257 0.000 1.165 775 I CA 0.739 61.876 61.300 -0.273 0.000 1.746 775 I CB -1.887 35.800 38.000 -0.523 0.000 1.220 775 I HN 0.880 nan 8.210 nan 0.000 0.433 776 A N 8.012 130.724 122.820 -0.181 0.000 2.275 776 A HA 0.268 4.588 4.320 -0.000 0.000 0.276 776 A C 0.311 177.905 177.584 0.016 0.000 1.232 776 A CA 0.076 52.021 52.037 -0.153 0.000 0.814 776 A CB 0.150 19.106 19.000 -0.074 0.000 1.145 776 A HN 0.654 nan 8.150 nan 0.000 0.508 777 F N -0.062 119.833 119.950 -0.093 0.000 2.366 777 F HA 0.290 4.817 4.527 -0.000 0.000 0.328 777 F C 1.627 177.423 175.800 -0.008 0.000 1.180 777 F CA -0.326 57.644 58.000 -0.051 0.000 1.232 777 F CB 0.688 39.672 39.000 -0.028 0.000 1.513 777 F HN 0.766 nan 8.300 nan 0.000 0.540 778 G N 2.070 110.938 108.800 0.115 0.000 2.408 778 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.217 778 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.217 778 G C 0.546 175.586 174.900 0.234 0.000 1.150 778 G CA 0.133 45.282 45.100 0.083 0.000 0.776 778 G HN 0.370 nan 8.290 nan 0.000 0.542 779 F N 0.735 120.692 119.950 0.013 0.000 2.404 779 F HA 0.311 4.837 4.527 -0.000 0.000 0.345 779 F C 0.574 176.332 175.800 -0.070 0.000 1.110 779 F CA -1.279 56.699 58.000 -0.037 0.000 1.130 779 F CB 1.772 40.729 39.000 -0.072 0.000 1.129 779 F HN -0.296 nan 8.300 nan 0.000 0.500 780 V N 5.303 125.287 119.914 0.117 0.000 2.621 780 V HA -0.218 3.902 4.120 -0.000 0.000 0.300 780 V C 0.405 176.442 176.094 -0.095 0.000 1.031 780 V CA 0.902 63.220 62.300 0.030 0.000 1.210 780 V CB -0.510 31.320 31.823 0.012 0.000 0.864 780 V HN 0.858 nan 8.190 nan 0.000 0.477 781 D N 3.631 123.910 120.400 -0.200 0.000 2.811 781 D HA -0.191 4.449 4.640 -0.000 0.000 0.231 781 D C 0.403 175.970 176.300 -1.222 0.000 1.157 781 D CA 1.495 55.134 54.000 -0.603 0.000 0.716 781 D CB -0.387 40.296 40.800 -0.194 0.000 1.077 781 D HN 0.934 nan 8.370 nan 0.000 0.428 782 R N -3.789 115.952 120.500 -1.265 0.000 2.709 782 R HA 0.441 4.781 4.340 -0.000 0.000 0.270 782 R C 0.466 176.681 176.300 -0.142 0.000 1.038 782 R CA -0.879 54.783 56.100 -0.730 0.000 0.872 782 R CB 0.365 30.578 30.300 -0.144 0.000 1.259 782 R HN -0.250 nan 8.270 nan 0.000 0.473 783 T N 0.647 115.319 114.554 0.196 0.000 2.770 783 T HA 0.163 4.513 4.350 -0.000 0.000 0.258 783 T C 0.678 175.301 174.700 -0.128 0.000 1.039 783 T CA 0.846 63.050 62.100 0.173 0.000 1.143 783 T CB -0.126 68.957 68.868 0.359 0.000 0.866 783 T HN 0.309 nan 8.240 nan 0.000 0.428 784 L N 0.316 121.467 121.223 -0.121 0.000 2.359 784 L HA 0.375 4.715 4.340 -0.000 0.000 0.256 784 L C -1.863 175.037 176.870 0.051 0.000 1.026 784 L CA -2.380 52.258 54.840 -0.336 0.000 0.828 784 L CB 2.138 43.789 42.059 -0.680 0.000 1.406 784 L HN -0.212 nan 8.230 nan 0.000 0.413 785 P HA -0.119 nan 4.420 nan 0.000 0.230 785 P C 0.732 178.160 177.300 0.213 0.000 1.158 785 P CA 1.243 64.476 63.100 0.221 0.000 0.769 785 P CB -0.048 31.738 31.700 0.144 0.000 0.807 786 H N -1.788 117.248 119.070 -0.057 0.000 2.547 786 H HA 0.215 4.771 4.556 -0.000 0.000 0.274 786 H C 0.441 175.837 175.328 0.114 0.000 1.024 786 H CA -0.410 55.592 56.048 -0.076 0.000 1.155 786 H CB -0.357 29.262 29.762 -0.239 0.000 1.344 786 H HN 0.202 nan 8.280 nan 0.000 0.598 787 F N 0.210 120.266 119.950 0.177 0.000 2.577 787 F HA 0.283 4.809 4.527 -0.000 0.000 0.318 787 F C 0.235 176.075 175.800 0.067 0.000 1.065 787 F CA -1.488 56.584 58.000 0.120 0.000 0.929 787 F CB 2.003 41.074 39.000 0.118 0.000 1.237 787 F HN -0.096 nan 8.300 nan 0.000 0.468 788 S N 2.023 117.864 115.700 0.236 0.000 2.548 788 S HA 0.151 4.621 4.470 -0.000 0.000 0.277 788 S C -0.089 174.547 174.600 0.060 0.000 1.315 788 S CA -0.805 57.459 58.200 0.108 0.000 1.050 788 S CB 0.808 64.048 63.200 0.066 0.000 0.918 788 S HN 0.423 nan 8.310 nan 0.000 0.497 789 K N 1.424 121.835 120.400 0.018 0.000 2.402 789 K HA -0.053 4.267 4.320 -0.000 0.000 0.265 789 K C 0.048 176.644 176.600 -0.006 0.000 0.978 789 K CA 0.448 56.706 56.287 -0.049 0.000 0.913 789 K CB -0.028 32.451 32.500 -0.035 0.000 0.954 789 K HN 0.625 nan 8.250 nan 0.000 0.511 790 D N 0.181 120.567 120.400 -0.023 0.000 2.931 790 D HA -0.195 4.445 4.640 -0.000 0.000 0.228 790 D C -0.473 176.037 176.300 0.351 0.000 1.180 790 D CA 1.064 55.203 54.000 0.232 0.000 0.784 790 D CB -0.725 40.197 40.800 0.204 0.000 1.093 790 D HN 0.434 nan 8.370 nan 0.000 0.421 791 D N -0.430 120.119 120.400 0.249 0.000 2.374 791 D HA 0.032 4.672 4.640 -0.000 0.000 0.240 791 D C 0.202 176.697 176.300 0.324 0.000 1.229 791 D CA -0.089 54.037 54.000 0.211 0.000 0.895 791 D CB 0.137 40.934 40.800 -0.004 0.000 1.046 791 D HN 0.246 nan 8.370 nan 0.000 0.498 792 Y N 1.758 122.185 120.300 0.212 0.000 2.490 792 Y HA -0.035 4.515 4.550 -0.000 0.000 0.281 792 Y C 1.781 177.764 175.900 0.138 0.000 1.174 792 Y CA -0.058 58.160 58.100 0.196 0.000 1.295 792 Y CB 0.090 38.711 38.460 0.267 0.000 1.062 792 Y HN 0.317 nan 8.280 nan 0.000 0.522 793 S N 1.368 117.189 115.700 0.201 0.000 2.611 793 S HA -0.026 4.444 4.470 -0.000 0.000 0.252 793 S C -1.316 173.327 174.600 0.070 0.000 1.369 793 S CA -0.589 57.678 58.200 0.112 0.000 0.975 793 S CB 0.384 63.608 63.200 0.040 0.000 0.937 793 S HN 0.136 nan 8.310 nan 0.000 0.584 794 P HA 0.111 nan 4.420 nan 0.000 0.222 794 P C 0.623 178.039 177.300 0.194 0.000 1.157 794 P CA 0.795 63.947 63.100 0.085 0.000 0.816 794 P CB -0.115 31.565 31.700 -0.033 0.000 0.813 795 E N -0.048 120.248 120.200 0.159 0.000 2.472 795 E HA -0.061 4.289 4.350 -0.000 0.000 0.200 795 E C 2.073 178.879 176.600 0.343 0.000 1.046 795 E CA 0.855 57.404 56.400 0.247 0.000 0.871 795 E CB -0.450 29.336 29.700 0.144 0.000 0.806 795 E HN 0.220 nan 8.360 nan 0.000 0.533 796 S N -0.542 115.264 115.700 0.176 0.000 2.566 796 S HA 0.056 4.526 4.470 -0.000 0.000 0.234 796 S C 1.457 176.145 174.600 0.147 0.000 1.075 796 S CA -0.067 58.292 58.200 0.267 0.000 0.926 796 S CB 0.234 63.372 63.200 -0.104 0.000 0.811 796 S HN -0.095 nan 8.310 nan 0.000 0.518 797 K N 1.347 121.756 120.400 0.015 0.000 2.551 797 K HA 0.212 4.531 4.320 -0.000 0.000 0.192 797 K C 0.905 177.388 176.600 -0.195 0.000 1.027 797 K CA 0.689 56.891 56.287 -0.143 0.000 1.059 797 K CB -0.134 32.297 32.500 -0.116 0.000 0.831 797 K HN 0.587 nan 8.250 nan 0.000 0.508 798 G N 1.548 110.274 108.800 -0.124 0.000 2.226 798 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.176 798 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.176 798 G C -0.542 174.506 174.900 0.246 0.000 1.042 798 G CA -0.550 44.573 45.100 0.039 0.000 0.732 798 G HN 0.279 nan 8.290 nan 0.000 0.494 799 F N 1.754 121.813 119.950 0.182 0.000 2.334 799 F HA 0.585 5.111 4.527 -0.000 0.000 0.367 799 F C 0.506 176.392 175.800 0.143 0.000 1.115 799 F CA -0.924 57.150 58.000 0.123 0.000 1.116 799 F CB 1.375 40.422 39.000 0.079 0.000 1.230 799 F HN 0.012 nan 8.300 nan 0.000 0.484 800 V N 7.482 127.190 119.914 -0.344 0.000 2.370 800 V HA -0.009 4.110 4.120 -0.000 0.000 0.257 800 V C 1.198 177.099 176.094 -0.321 0.000 1.064 800 V CA 0.205 62.383 62.300 -0.203 0.000 0.975 800 V CB 0.681 32.381 31.823 -0.205 0.000 1.067 800 V HN 0.887 nan 8.190 nan 0.000 0.485 801 E N 4.456 124.688 120.200 0.053 0.000 2.358 801 E HA -0.065 4.285 4.350 -0.000 0.000 0.195 801 E C 0.786 177.424 176.600 0.063 0.000 1.010 801 E CA 0.205 56.728 56.400 0.206 0.000 0.856 801 E CB 0.322 30.210 29.700 0.314 0.000 0.795 801 E HN 0.728 nan 8.360 nan 0.000 0.504 802 N N 0.965 119.671 118.700 0.010 0.000 2.445 802 N HA 0.048 4.788 4.740 -0.000 0.000 0.264 802 N C -0.458 175.011 175.510 -0.068 0.000 1.227 802 N CA 0.263 53.312 53.050 -0.002 0.000 0.963 802 N CB 1.565 40.069 38.487 0.028 0.000 1.188 802 N HN 0.075 nan 8.380 nan 0.000 0.491 803 S N -0.340 115.337 115.700 -0.040 0.000 2.608 803 S HA 0.304 4.774 4.470 -0.000 0.000 0.291 803 S C 1.085 175.711 174.600 0.043 0.000 1.146 803 S CA -0.781 57.372 58.200 -0.078 0.000 1.043 803 S CB 0.803 63.977 63.200 -0.043 0.000 1.037 803 S HN 0.563 nan 8.310 nan 0.000 0.520 804 Y N 0.186 120.451 120.300 -0.059 0.000 2.207 804 Y HA -0.170 4.380 4.550 -0.000 0.000 0.287 804 Y C 2.271 178.153 175.900 -0.029 0.000 1.156 804 Y CA 0.759 58.831 58.100 -0.045 0.000 1.182 804 Y CB -0.151 38.283 38.460 -0.043 0.000 0.979 804 Y HN 0.632 nan 8.280 nan 0.000 0.521 805 L N 0.617 121.924 121.223 0.140 0.000 2.187 805 L HA -0.208 4.131 4.340 -0.000 0.000 0.213 805 L C 2.008 178.907 176.870 0.049 0.000 1.100 805 L CA 1.678 56.560 54.840 0.070 0.000 0.765 805 L CB -0.283 41.803 42.059 0.044 0.000 0.904 805 L HN 0.036 nan 8.230 nan 0.000 0.437 806 R N -0.541 119.991 120.500 0.054 0.000 2.087 806 R HA 0.434 4.774 4.340 -0.000 0.000 0.216 806 R C 0.411 176.733 176.300 0.037 0.000 1.114 806 R CA 0.532 56.654 56.100 0.037 0.000 1.002 806 R CB -0.049 30.270 30.300 0.032 0.000 0.903 806 R HN 0.395 nan 8.270 nan 0.000 0.445 807 G N 1.125 109.962 108.800 0.062 0.000 3.233 807 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.686 807 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.686 807 G C -1.162 173.771 174.900 0.054 0.000 1.153 807 G CA -1.120 44.009 45.100 0.048 0.000 0.853 807 G HN -0.052 nan 8.290 nan 0.000 0.582 808 L N 1.989 123.262 121.223 0.084 0.000 2.461 808 L HA 0.581 4.920 4.340 -0.000 0.000 0.272 808 L C 1.821 178.736 176.870 0.075 0.000 1.197 808 L CA 0.595 55.501 54.840 0.110 0.000 0.836 808 L CB 0.824 43.020 42.059 0.228 0.000 1.105 808 L HN 0.987 nan 8.230 nan 0.000 0.477 809 T N -0.045 114.556 114.554 0.079 0.000 2.913 809 T HA 0.367 4.717 4.350 -0.000 0.000 0.287 809 T C -1.826 172.923 174.700 0.081 0.000 1.008 809 T CA -1.712 60.423 62.100 0.058 0.000 1.067 809 T CB 1.255 70.159 68.868 0.059 0.000 0.996 809 T HN 0.408 nan 8.240 nan 0.000 0.513 810 P HA -0.270 nan 4.420 nan 0.000 0.219 810 P C 1.622 178.940 177.300 0.029 0.000 1.159 810 P CA 1.731 64.899 63.100 0.114 0.000 0.944 810 P CB -0.052 31.694 31.700 0.078 0.000 0.792 811 Q N -0.363 119.350 119.800 -0.146 0.000 1.998 811 Q HA -0.243 4.096 4.340 -0.000 0.000 0.209 811 Q C 2.179 177.735 176.000 -0.739 0.000 1.002 811 Q CA 2.063 57.530 55.803 -0.561 0.000 0.858 811 Q CB -0.960 27.540 28.738 -0.397 0.000 0.932 811 Q HN 0.411 nan 8.270 nan 0.000 0.416 812 E N -0.155 119.877 120.200 -0.280 0.000 2.049 812 E HA -0.225 4.125 4.350 -0.000 0.000 0.198 812 E C 1.788 178.409 176.600 0.034 0.000 1.007 812 E CA 1.206 57.556 56.400 -0.083 0.000 0.809 812 E CB -0.325 29.410 29.700 0.058 0.000 0.749 812 E HN 0.270 nan 8.360 nan 0.000 0.450 813 F N 0.658 120.591 119.950 -0.027 0.000 2.154 813 F HA -0.247 4.279 4.527 -0.000 0.000 0.301 813 F C 1.890 177.736 175.800 0.075 0.000 1.087 813 F CA 1.359 59.397 58.000 0.064 0.000 1.274 813 F CB -0.354 38.671 39.000 0.043 0.000 1.009 813 F HN -0.026 nan 8.300 nan 0.000 0.485 814 F N -0.089 119.700 119.950 -0.269 0.000 2.037 814 F HA -0.139 4.387 4.527 -0.000 0.000 0.291 814 F C 2.302 178.020 175.800 -0.137 0.000 1.137 814 F CA 1.874 59.685 58.000 -0.315 0.000 1.178 814 F CB -0.975 37.875 39.000 -0.249 0.000 0.995 814 F HN -0.030 nan 8.300 nan 0.000 0.472 815 F N -0.365 119.730 119.950 0.241 0.000 2.048 815 F HA -0.437 4.090 4.527 -0.000 0.000 0.296 815 F C 2.640 178.433 175.800 -0.011 0.000 1.109 815 F CA 1.395 59.470 58.000 0.125 0.000 1.214 815 F CB -1.239 37.838 39.000 0.129 0.000 0.963 815 F HN 0.205 nan 8.300 nan 0.000 0.491 816 H N 0.576 119.692 119.070 0.077 0.000 2.325 816 H HA -0.255 4.301 4.556 -0.000 0.000 0.293 816 H C 1.975 177.199 175.328 -0.173 0.000 1.106 816 H CA 1.752 57.773 56.048 -0.046 0.000 1.247 816 H CB -0.626 29.112 29.762 -0.040 0.000 1.359 816 H HN 0.238 nan 8.280 nan 0.000 0.488 817 A N 0.434 122.961 122.820 -0.487 0.000 1.858 817 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 817 A C 2.656 179.983 177.584 -0.428 0.000 1.190 817 A CA 1.945 53.608 52.037 -0.623 0.000 0.617 817 A CB -0.785 17.726 19.000 -0.814 0.000 0.827 817 A HN 0.544 nan 8.150 nan 0.000 0.443 818 M N -0.277 119.107 119.600 -0.360 0.000 2.260 818 M HA -0.132 4.348 4.480 -0.000 0.000 0.261 818 M C 2.138 178.353 176.300 -0.142 0.000 1.066 818 M CA 1.343 56.515 55.300 -0.213 0.000 1.082 818 M CB -0.521 32.039 32.600 -0.067 0.000 1.388 818 M HN 0.523 nan 8.290 nan 0.000 0.419 819 G N -0.165 108.565 108.800 -0.116 0.000 2.404 819 G HA2 -0.043 3.916 3.960 -0.000 0.000 0.213 819 G HA3 -0.043 3.916 3.960 -0.000 0.000 0.213 819 G C 1.542 176.376 174.900 -0.109 0.000 1.189 819 G CA 0.724 45.777 45.100 -0.079 0.000 0.796 819 G HN 0.530 nan 8.290 nan 0.000 0.532 820 G N 0.920 109.614 108.800 -0.178 0.000 2.418 820 G HA2 -0.238 3.721 3.960 -0.000 0.000 0.217 820 G HA3 -0.238 3.721 3.960 -0.000 0.000 0.217 820 G C 1.853 176.665 174.900 -0.147 0.000 1.158 820 G CA 1.312 46.307 45.100 -0.175 0.000 0.771 820 G HN 0.498 nan 8.290 nan 0.000 0.545 821 R N 1.104 121.498 120.500 -0.177 0.000 2.119 821 R HA -0.142 4.198 4.340 -0.000 0.000 0.246 821 R C 2.224 178.467 176.300 -0.095 0.000 1.146 821 R CA 2.291 58.306 56.100 -0.143 0.000 0.962 821 R CB -0.806 29.395 30.300 -0.165 0.000 0.863 821 R HN 0.522 nan 8.270 nan 0.000 0.442 822 E N -1.015 119.131 120.200 -0.089 0.000 2.077 822 E HA -0.116 4.234 4.350 -0.000 0.000 0.193 822 E C 1.807 178.385 176.600 -0.037 0.000 0.989 822 E CA 1.304 57.666 56.400 -0.062 0.000 0.800 822 E CB -0.545 29.105 29.700 -0.084 0.000 0.746 822 E HN 0.526 nan 8.360 nan 0.000 0.452 823 G N 1.849 110.623 108.800 -0.042 0.000 2.587 823 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.217 823 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.217 823 G C 1.573 176.460 174.900 -0.022 0.000 1.240 823 G CA 1.261 46.348 45.100 -0.021 0.000 0.794 823 G HN 0.265 nan 8.290 nan 0.000 0.580 824 L N 0.387 121.586 121.223 -0.041 0.000 2.103 824 L HA -0.199 4.141 4.340 -0.000 0.000 0.215 824 L C 2.902 179.756 176.870 -0.025 0.000 1.080 824 L CA 0.878 55.695 54.840 -0.038 0.000 0.764 824 L CB -0.690 41.336 42.059 -0.055 0.000 0.890 824 L HN 0.268 nan 8.230 nan 0.000 0.435 825 I N 1.021 121.576 120.570 -0.025 0.000 2.053 825 I HA -0.367 3.802 4.170 -0.000 0.000 0.236 825 I C 2.357 178.475 176.117 0.001 0.000 1.038 825 I CA 2.256 63.548 61.300 -0.012 0.000 1.304 825 I CB -0.632 37.363 38.000 -0.008 0.000 1.023 825 I HN 0.476 nan 8.210 nan 0.000 0.395 826 D N -0.169 120.239 120.400 0.014 0.000 2.218 826 D HA -0.161 4.479 4.640 -0.000 0.000 0.204 826 D C 1.723 178.030 176.300 0.011 0.000 0.976 826 D CA 1.371 55.383 54.000 0.021 0.000 0.853 826 D CB -0.956 39.868 40.800 0.040 0.000 0.939 826 D HN 0.204 nan 8.370 nan 0.000 0.481 827 T N -0.689 113.868 114.554 0.005 0.000 3.077 827 T HA 0.104 4.454 4.350 -0.000 0.000 0.269 827 T C 1.396 176.092 174.700 -0.005 0.000 1.146 827 T CA 1.107 63.206 62.100 -0.002 0.000 1.091 827 T CB -0.140 68.724 68.868 -0.007 0.000 0.892 827 T HN 0.442 nan 8.240 nan 0.000 0.533 828 A N -0.186 122.632 122.820 -0.004 0.000 2.606 828 A HA 0.627 4.947 4.320 -0.000 0.000 0.290 828 A C 1.210 178.793 177.584 -0.001 0.000 1.174 828 A CA -0.319 51.714 52.037 -0.006 0.000 0.958 828 A CB 0.537 19.531 19.000 -0.011 0.000 1.194 828 A HN 0.297 nan 8.150 nan 0.000 0.526 829 V N -0.479 119.437 119.914 0.004 0.000 3.570 829 V HA -0.026 4.094 4.120 -0.000 0.000 0.193 829 V C 2.020 178.121 176.094 0.012 0.000 1.386 829 V CA 1.012 63.317 62.300 0.008 0.000 1.285 829 V CB -0.186 31.644 31.823 0.012 0.000 1.237 829 V HN 0.598 nan 8.190 nan 0.000 0.553 830 K N 0.754 121.162 120.400 0.014 0.000 2.442 830 K HA -0.165 4.155 4.320 -0.000 0.000 0.198 830 K C 1.788 178.394 176.600 0.011 0.000 1.044 830 K CA 1.842 58.138 56.287 0.014 0.000 0.948 830 K CB -0.430 32.078 32.500 0.012 0.000 0.762 830 K HN 0.426 nan 8.250 nan 0.000 0.472 831 T N -0.184 114.374 114.554 0.007 0.000 2.788 831 T HA -0.057 4.293 4.350 -0.000 0.000 0.268 831 T C 1.680 176.386 174.700 0.009 0.000 1.044 831 T CA 1.547 63.648 62.100 0.002 0.000 1.139 831 T CB -0.147 68.720 68.868 -0.002 0.000 0.867 831 T HN 0.496 nan 8.240 nan 0.000 0.454 832 A N -0.522 122.308 122.820 0.017 0.000 2.259 832 A HA 0.383 4.703 4.320 -0.000 0.000 0.213 832 A C 1.913 179.532 177.584 0.057 0.000 1.209 832 A CA 0.628 52.683 52.037 0.029 0.000 0.910 832 A CB -0.166 18.843 19.000 0.015 0.000 0.946 832 A HN 0.594 nan 8.150 nan 0.000 0.497 833 E N -0.441 119.792 120.200 0.056 0.000 2.216 833 E HA -0.112 4.238 4.350 -0.000 0.000 0.192 833 E C 1.797 178.464 176.600 0.111 0.000 0.988 833 E CA 1.270 57.727 56.400 0.095 0.000 0.834 833 E CB 0.003 29.744 29.700 0.068 0.000 0.772 833 E HN 0.443 nan 8.360 nan 0.000 0.479 834 T N -1.014 113.575 114.554 0.059 0.000 2.821 834 T HA -0.045 4.304 4.350 -0.000 0.000 0.267 834 T C 1.649 176.371 174.700 0.036 0.000 1.046 834 T CA 1.376 63.495 62.100 0.030 0.000 1.139 834 T CB -0.345 68.524 68.868 0.002 0.000 0.871 834 T HN 0.347 nan 8.240 nan 0.000 0.454 835 G N -0.696 108.137 108.800 0.056 0.000 2.422 835 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.218 835 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.218 835 G C 1.333 176.309 174.900 0.127 0.000 1.140 835 G CA 0.789 45.926 45.100 0.061 0.000 0.775 835 G HN 0.554 nan 8.290 nan 0.000 0.545 836 Y N 1.416 121.726 120.300 0.017 0.000 2.092 836 Y HA 0.002 4.552 4.550 -0.000 0.000 0.282 836 Y C 2.601 178.526 175.900 0.041 0.000 1.126 836 Y CA 0.794 58.920 58.100 0.044 0.000 1.111 836 Y CB -0.573 37.918 38.460 0.051 0.000 0.987 836 Y HN 0.145 nan 8.280 nan 0.000 0.489 837 I N 0.530 121.071 120.570 -0.048 0.000 2.300 837 I HA -0.394 3.776 4.170 -0.000 0.000 0.252 837 I C 2.626 178.650 176.117 -0.154 0.000 1.119 837 I CA 1.756 62.956 61.300 -0.168 0.000 1.384 837 I CB -0.474 37.490 38.000 -0.060 0.000 1.062 837 I HN 0.451 nan 8.210 nan 0.000 0.426 838 Q N 1.175 120.924 119.800 -0.086 0.000 1.965 838 Q HA -0.224 4.116 4.340 -0.000 0.000 0.200 838 Q C 2.392 178.327 176.000 -0.110 0.000 0.981 838 Q CA 1.345 57.095 55.803 -0.088 0.000 0.834 838 Q CB -0.283 28.424 28.738 -0.052 0.000 0.900 838 Q HN 0.352 nan 8.270 nan 0.000 0.426 839 R N 0.385 120.849 120.500 -0.060 0.000 2.134 839 R HA -0.229 4.111 4.340 -0.000 0.000 0.248 839 R C 2.344 178.548 176.300 -0.160 0.000 1.143 839 R CA 2.165 58.238 56.100 -0.044 0.000 0.957 839 R CB -0.177 30.187 30.300 0.106 0.000 0.867 839 R HN 0.276 nan 8.270 nan 0.000 0.441 840 R N 0.165 120.517 120.500 -0.247 0.000 2.088 840 R HA -0.129 4.211 4.340 -0.000 0.000 0.232 840 R C 2.535 178.580 176.300 -0.425 0.000 1.136 840 R CA 1.842 57.735 56.100 -0.346 0.000 0.926 840 R CB -0.744 29.361 30.300 -0.325 0.000 0.837 840 R HN 0.219 nan 8.270 nan 0.000 0.429 841 L N 0.778 121.811 121.223 -0.315 0.000 2.103 841 L HA -0.286 4.054 4.340 -0.000 0.000 0.215 841 L C 2.360 179.038 176.870 -0.319 0.000 1.080 841 L CA 1.317 55.979 54.840 -0.297 0.000 0.764 841 L CB -0.744 41.198 42.059 -0.195 0.000 0.890 841 L HN 0.130 nan 8.230 nan 0.000 0.435 842 V N -1.295 118.454 119.914 -0.275 0.000 2.255 842 V HA -0.192 3.928 4.120 -0.000 0.000 0.243 842 V C 2.175 178.094 176.094 -0.291 0.000 1.038 842 V CA 1.387 63.550 62.300 -0.229 0.000 1.008 842 V CB -0.566 31.164 31.823 -0.155 0.000 0.645 842 V HN 0.306 nan 8.190 nan 0.000 0.449 843 K N 0.611 120.794 120.400 -0.362 0.000 2.633 843 K HA 0.095 4.414 4.320 -0.000 0.000 0.193 843 K C 1.494 177.743 176.600 -0.585 0.000 1.033 843 K CA 0.986 57.047 56.287 -0.377 0.000 0.980 843 K CB -0.326 31.892 32.500 -0.470 0.000 0.800 843 K HN 0.549 nan 8.250 nan 0.000 0.493 844 A N -0.356 121.995 122.820 -0.782 0.000 2.382 844 A HA 0.223 4.542 4.320 -0.000 0.000 0.228 844 A C 1.353 178.661 177.584 -0.461 0.000 1.217 844 A CA -0.066 51.351 52.037 -1.034 0.000 0.923 844 A CB 0.387 18.586 19.000 -1.335 0.000 0.979 844 A HN 0.210 nan 8.150 nan 0.000 0.515 845 L N -1.788 119.256 121.223 -0.298 0.000 3.327 845 L HA 0.193 4.533 4.340 -0.000 0.000 0.299 845 L C 1.352 178.154 176.870 -0.114 0.000 1.201 845 L CA -0.018 54.722 54.840 -0.166 0.000 1.059 845 L CB -0.267 41.712 42.059 -0.132 0.000 1.488 845 L HN 0.203 nan 8.230 nan 0.000 0.609 846 E N 2.054 122.178 120.200 -0.127 0.000 2.154 846 E HA -0.321 4.029 4.350 -0.000 0.000 0.240 846 E C 0.781 177.341 176.600 -0.065 0.000 1.059 846 E CA 2.284 58.631 56.400 -0.089 0.000 0.954 846 E CB -0.461 29.194 29.700 -0.075 0.000 0.842 846 E HN 0.585 nan 8.360 nan 0.000 0.508 847 D N 0.993 121.364 120.400 -0.049 0.000 2.387 847 D HA -0.089 4.551 4.640 -0.000 0.000 0.257 847 D C 0.120 176.411 176.300 -0.016 0.000 1.198 847 D CA 0.577 54.560 54.000 -0.029 0.000 0.945 847 D CB -0.775 40.019 40.800 -0.010 0.000 0.907 847 D HN 0.190 nan 8.370 nan 0.000 0.518 848 I N 0.697 121.250 120.570 -0.029 0.000 2.339 848 I HA 0.338 4.507 4.170 -0.000 0.000 0.290 848 I C 0.108 176.205 176.117 -0.033 0.000 0.994 848 I CA -0.785 60.511 61.300 -0.008 0.000 1.191 848 I CB 1.032 39.030 38.000 -0.003 0.000 1.343 848 I HN -0.019 nan 8.210 nan 0.000 0.458 849 M N 5.312 124.886 119.600 -0.043 0.000 2.365 849 M HA 0.496 4.976 4.480 -0.000 0.000 0.287 849 M C -1.322 174.862 176.300 -0.193 0.000 1.154 849 M CA -0.790 54.419 55.300 -0.152 0.000 0.941 849 M CB 1.786 34.240 32.600 -0.244 0.000 1.704 849 M HN 0.085 nan 8.290 nan 0.000 0.479 850 V N 3.347 123.141 119.914 -0.201 0.000 2.843 850 V HA 0.024 4.144 4.120 -0.000 0.000 0.305 850 V C 0.303 176.222 176.094 -0.291 0.000 1.120 850 V CA 0.659 62.865 62.300 -0.157 0.000 1.254 850 V CB -0.408 31.291 31.823 -0.205 0.000 0.901 850 V HN 0.785 nan 8.190 nan 0.000 0.503 851 H N 2.840 121.853 119.070 -0.096 0.000 2.573 851 H HA 0.256 4.812 4.556 -0.000 0.000 0.351 851 H C 0.384 175.690 175.328 -0.036 0.000 1.163 851 H CA -0.554 55.430 56.048 -0.108 0.000 1.205 851 H CB 1.173 30.916 29.762 -0.031 0.000 1.605 851 H HN 0.664 nan 8.280 nan 0.000 0.525 852 Y N 0.715 121.092 120.300 0.129 0.000 2.588 852 Y HA -0.280 4.270 4.550 -0.000 0.000 0.279 852 Y C 1.547 177.497 175.900 0.083 0.000 1.171 852 Y CA 1.286 59.440 58.100 0.090 0.000 1.425 852 Y CB 0.117 38.635 38.460 0.096 0.000 0.960 852 Y HN 0.650 nan 8.280 nan 0.000 0.585 853 D N -3.032 117.515 120.400 0.245 0.000 2.417 853 D HA -0.018 4.622 4.640 -0.000 0.000 0.207 853 D C 0.334 176.720 176.300 0.144 0.000 1.075 853 D CA 0.252 54.353 54.000 0.168 0.000 0.851 853 D CB -0.018 40.867 40.800 0.141 0.000 0.976 853 D HN 0.051 nan 8.370 nan 0.000 0.505 854 N N -0.783 118.006 118.700 0.147 0.000 3.057 854 N HA -0.145 4.595 4.740 -0.000 0.000 0.246 854 N C -0.917 174.680 175.510 0.145 0.000 1.093 854 N CA 0.882 54.007 53.050 0.125 0.000 0.818 854 N CB -1.656 36.898 38.487 0.112 0.000 1.115 854 N HN 0.432 nan 8.380 nan 0.000 0.545 855 T N 0.193 114.839 114.554 0.152 0.000 2.875 855 T HA 0.460 4.810 4.350 -0.000 0.000 0.284 855 T C -0.030 174.748 174.700 0.131 0.000 0.995 855 T CA 0.224 62.400 62.100 0.126 0.000 1.060 855 T CB 1.069 69.984 68.868 0.079 0.000 0.967 855 T HN 0.068 nan 8.240 nan 0.000 0.476 856 T N 6.616 121.222 114.554 0.085 0.000 2.753 856 T HA 0.522 4.872 4.350 -0.000 0.000 0.297 856 T C 0.103 174.828 174.700 0.041 0.000 0.981 856 T CA -0.595 61.569 62.100 0.105 0.000 0.956 856 T CB 0.368 69.312 68.868 0.126 0.000 0.936 856 T HN 0.598 nan 8.240 nan 0.000 0.463 857 R N 2.457 123.020 120.500 0.105 0.000 3.045 857 R HA 0.616 4.955 4.340 -0.000 0.000 0.245 857 R C 0.088 176.424 176.300 0.061 0.000 1.333 857 R CA -1.153 54.955 56.100 0.012 0.000 1.036 857 R CB 1.294 31.520 30.300 -0.122 0.000 1.340 857 R HN 0.728 nan 8.270 nan 0.000 0.488 858 N N -1.792 116.919 118.700 0.019 0.000 3.379 858 N HA 0.109 4.849 4.740 -0.000 0.000 0.350 858 N C 0.010 175.539 175.510 0.031 0.000 1.553 858 N CA -0.673 52.397 53.050 0.033 0.000 0.712 858 N CB 1.131 39.622 38.487 0.007 0.000 1.880 858 N HN 0.432 nan 8.380 nan 0.000 0.648 859 S N -0.751 114.962 115.700 0.021 0.000 2.723 859 S HA 0.064 4.534 4.470 -0.000 0.000 0.231 859 S C 1.012 175.614 174.600 0.002 0.000 0.967 859 S CA 0.205 58.414 58.200 0.015 0.000 0.958 859 S CB -0.750 62.457 63.200 0.011 0.000 0.778 859 S HN 0.501 nan 8.310 nan 0.000 0.537 860 L N -0.631 120.588 121.223 -0.008 0.000 3.217 860 L HA 0.366 4.706 4.340 -0.000 0.000 0.288 860 L C 1.692 178.539 176.870 -0.038 0.000 1.202 860 L CA 0.315 55.145 54.840 -0.017 0.000 1.027 860 L CB 0.240 42.294 42.059 -0.008 0.000 1.427 860 L HN 0.502 nan 8.230 nan 0.000 0.600 861 G N 0.677 109.438 108.800 -0.065 0.000 2.212 861 G HA2 -0.320 3.639 3.960 -0.000 0.000 0.266 861 G HA3 -0.320 3.639 3.960 -0.000 0.000 0.266 861 G C 0.196 175.036 174.900 -0.100 0.000 0.978 861 G CA 0.330 45.360 45.100 -0.117 0.000 0.632 861 G HN 0.435 nan 8.290 nan 0.000 0.537 862 N N 0.534 119.193 118.700 -0.067 0.000 2.411 862 N HA 0.342 5.082 4.740 -0.000 0.000 0.265 862 N C 0.454 175.899 175.510 -0.108 0.000 1.266 862 N CA 0.326 53.336 53.050 -0.067 0.000 0.889 862 N CB 1.084 39.547 38.487 -0.041 0.000 1.069 862 N HN 0.229 nan 8.380 nan 0.000 0.476 863 V N 4.514 124.331 119.914 -0.162 0.000 2.421 863 V HA 0.011 4.131 4.120 -0.000 0.000 0.271 863 V C 1.389 177.296 176.094 -0.311 0.000 1.031 863 V CA 0.182 62.309 62.300 -0.288 0.000 1.032 863 V CB 0.033 31.547 31.823 -0.515 0.000 1.009 863 V HN 0.643 nan 8.190 nan 0.000 0.477 864 I N 3.177 123.617 120.570 -0.217 0.000 3.035 864 I HA 0.124 4.294 4.170 -0.000 0.000 0.271 864 I C 0.950 176.961 176.117 -0.176 0.000 1.190 864 I CA 0.821 62.030 61.300 -0.152 0.000 1.472 864 I CB 0.182 38.141 38.000 -0.067 0.000 1.116 864 I HN 0.616 nan 8.210 nan 0.000 0.443 865 Q N -1.289 118.381 119.800 -0.218 0.000 2.327 865 Q HA 0.291 4.631 4.340 -0.000 0.000 0.265 865 Q C -0.486 175.423 176.000 -0.152 0.000 0.993 865 Q CA -0.447 55.273 55.803 -0.139 0.000 0.885 865 Q CB 1.991 30.727 28.738 -0.004 0.000 1.379 865 Q HN 0.009 nan 8.270 nan 0.000 0.408 866 F N 0.867 120.846 119.950 0.049 0.000 2.367 866 F HA 0.120 4.647 4.527 -0.000 0.000 0.298 866 F C 0.678 176.516 175.800 0.064 0.000 1.094 866 F CA 0.700 58.729 58.000 0.049 0.000 1.409 866 F CB 0.572 39.593 39.000 0.035 0.000 1.064 866 F HN 0.345 nan 8.300 nan 0.000 0.528 867 I N -1.123 119.589 120.570 0.236 0.000 2.563 867 I HA 0.087 4.256 4.170 -0.000 0.000 0.281 867 I C -0.892 175.324 176.117 0.166 0.000 1.110 867 I CA -1.062 60.346 61.300 0.181 0.000 1.073 867 I CB 0.620 38.708 38.000 0.147 0.000 1.215 867 I HN -0.098 nan 8.210 nan 0.000 0.460 868 Y N 6.990 127.319 120.300 0.048 0.000 2.981 868 Y HA 0.145 4.695 4.550 -0.000 0.000 0.359 868 Y C 1.549 177.467 175.900 0.029 0.000 1.271 868 Y CA 1.644 59.760 58.100 0.027 0.000 1.617 868 Y CB 0.204 38.668 38.460 0.006 0.000 1.154 868 Y HN 0.938 nan 8.280 nan 0.000 0.570 869 G N 3.922 112.434 108.800 -0.480 0.000 2.168 869 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.263 869 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.263 869 G C 0.316 175.143 174.900 -0.121 0.000 0.977 869 G CA 0.479 45.361 45.100 -0.363 0.000 0.659 869 G HN 0.982 nan 8.290 nan 0.000 0.533 870 E N -1.240 118.938 120.200 -0.037 0.000 2.957 870 E HA -0.234 4.115 4.350 -0.000 0.000 0.287 870 E C 0.829 177.421 176.600 -0.014 0.000 0.976 870 E CA 1.169 57.565 56.400 -0.007 0.000 0.907 870 E CB -0.991 28.682 29.700 -0.044 0.000 1.456 870 E HN 0.943 nan 8.360 nan 0.000 0.421 871 D N -2.622 117.786 120.400 0.013 0.000 2.148 871 D HA 0.036 4.676 4.640 -0.000 0.000 0.577 871 D C 0.995 177.326 176.300 0.052 0.000 0.879 871 D CA 0.524 54.541 54.000 0.027 0.000 1.108 871 D CB -0.591 40.206 40.800 -0.004 0.000 1.442 871 D HN 0.475 nan 8.370 nan 0.000 0.437 872 G N 1.437 110.298 108.800 0.101 0.000 2.246 872 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.273 872 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.273 872 G C -0.232 174.715 174.900 0.078 0.000 1.055 872 G CA 0.767 45.949 45.100 0.137 0.000 0.851 872 G HN 0.379 nan 8.290 nan 0.000 0.500 873 M N 0.261 119.927 119.600 0.110 0.000 2.508 873 M HA 0.540 5.019 4.480 -0.000 0.000 0.327 873 M C -0.281 176.115 176.300 0.159 0.000 1.160 873 M CA -1.532 53.790 55.300 0.037 0.000 0.980 873 M CB 1.689 34.269 32.600 -0.034 0.000 1.693 873 M HN 0.169 nan 8.290 nan 0.000 0.452 874 D N 2.209 122.688 120.400 0.132 0.000 2.339 874 D HA 0.477 5.117 4.640 -0.000 0.000 0.241 874 D C 0.903 177.266 176.300 0.105 0.000 1.183 874 D CA 0.187 54.273 54.000 0.142 0.000 0.859 874 D CB 1.080 41.977 40.800 0.163 0.000 1.067 874 D HN 0.696 nan 8.370 nan 0.000 0.484 875 A N 4.320 127.207 122.820 0.112 0.000 2.023 875 A HA -0.260 4.060 4.320 -0.000 0.000 0.223 875 A C 2.187 179.781 177.584 0.016 0.000 1.180 875 A CA 2.401 54.485 52.037 0.078 0.000 0.659 875 A CB -0.948 18.109 19.000 0.094 0.000 0.817 875 A HN 0.730 nan 8.150 nan 0.000 0.466 876 A N -1.073 121.685 122.820 -0.102 0.000 1.908 876 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 876 A C 1.634 179.097 177.584 -0.202 0.000 1.181 876 A CA 1.462 53.362 52.037 -0.228 0.000 0.627 876 A CB -0.850 17.897 19.000 -0.422 0.000 0.818 876 A HN 0.716 nan 8.150 nan 0.000 0.445 877 H N -0.717 118.378 119.070 0.041 0.000 2.708 877 H HA 0.388 4.944 4.556 -0.000 0.000 0.309 877 H C -0.429 174.922 175.328 0.039 0.000 1.084 877 H CA 0.163 56.232 56.048 0.035 0.000 1.165 877 H CB -0.593 29.157 29.762 -0.021 0.000 1.388 877 H HN 0.394 nan 8.280 nan 0.000 0.553 878 I N 1.002 121.665 120.570 0.154 0.000 2.608 878 I HA 0.280 4.450 4.170 -0.000 0.000 0.295 878 I C -0.252 175.967 176.117 0.170 0.000 1.049 878 I CA -0.759 60.625 61.300 0.140 0.000 1.063 878 I CB 2.578 40.653 38.000 0.125 0.000 1.248 878 I HN 0.045 nan 8.210 nan 0.000 0.424 879 E N 3.484 123.763 120.200 0.132 0.000 2.393 879 E HA 0.349 4.698 4.350 -0.000 0.000 0.273 879 E C -1.262 175.398 176.600 0.100 0.000 0.918 879 E CA -1.214 55.247 56.400 0.102 0.000 0.773 879 E CB 2.585 32.281 29.700 -0.006 0.000 1.275 879 E HN 0.347 nan 8.360 nan 0.000 0.451 880 K N 2.378 122.820 120.400 0.070 0.000 2.307 880 K HA 0.021 4.341 4.320 -0.000 0.000 0.285 880 K C -0.386 176.247 176.600 0.054 0.000 1.073 880 K CA 0.283 56.597 56.287 0.045 0.000 0.996 880 K CB 0.247 32.733 32.500 -0.023 0.000 0.994 880 K HN 0.317 nan 8.250 nan 0.000 0.452 881 Q N 1.092 120.956 119.800 0.107 0.000 2.241 881 Q HA 0.265 4.605 4.340 -0.000 0.000 0.262 881 Q C -0.561 175.521 176.000 0.136 0.000 1.014 881 Q CA -0.754 55.122 55.803 0.121 0.000 0.885 881 Q CB 1.994 30.831 28.738 0.165 0.000 1.311 881 Q HN 0.651 nan 8.270 nan 0.000 0.461 882 S N 0.411 116.188 115.700 0.128 0.000 2.594 882 S HA 0.405 4.875 4.470 -0.000 0.000 0.322 882 S C -0.080 174.618 174.600 0.164 0.000 1.085 882 S CA -0.758 57.523 58.200 0.136 0.000 1.116 882 S CB 0.082 63.333 63.200 0.084 0.000 0.979 882 S HN 0.476 nan 8.310 nan 0.000 0.465 883 L N 4.145 125.500 121.223 0.220 0.000 2.617 883 L HA 0.067 4.407 4.340 -0.000 0.000 0.282 883 L C 1.212 178.172 176.870 0.150 0.000 1.174 883 L CA -0.296 54.656 54.840 0.186 0.000 1.016 883 L CB -0.392 41.798 42.059 0.217 0.000 1.337 883 L HN 0.749 nan 8.230 nan 0.000 0.460 884 D N 1.805 122.294 120.400 0.149 0.000 2.242 884 D HA -0.213 4.426 4.640 -0.000 0.000 0.193 884 D C 1.723 178.118 176.300 0.157 0.000 1.005 884 D CA 2.267 56.369 54.000 0.171 0.000 0.856 884 D CB 0.024 40.978 40.800 0.256 0.000 1.001 884 D HN 0.603 nan 8.370 nan 0.000 0.452 885 T N 2.040 116.665 114.554 0.119 0.000 2.684 885 T HA -0.291 4.058 4.350 -0.000 0.000 0.259 885 T C 2.099 176.837 174.700 0.064 0.000 1.086 885 T CA 1.596 63.742 62.100 0.077 0.000 1.155 885 T CB -0.736 68.119 68.868 -0.022 0.000 0.848 885 T HN 0.225 nan 8.240 nan 0.000 0.464 886 I N 0.913 121.505 120.570 0.037 0.000 2.118 886 I HA -0.085 4.085 4.170 -0.000 0.000 0.241 886 I C 1.669 177.781 176.117 -0.007 0.000 1.070 886 I CA 1.267 62.570 61.300 0.006 0.000 1.327 886 I CB -0.608 37.406 38.000 0.023 0.000 1.034 886 I HN 0.361 nan 8.210 nan 0.000 0.405 887 G N -0.407 108.395 108.800 0.003 0.000 2.476 887 G HA2 0.482 4.442 3.960 -0.000 0.000 0.286 887 G HA3 0.482 4.442 3.960 -0.000 0.000 0.286 887 G C -0.247 174.706 174.900 0.088 0.000 1.177 887 G CA 0.352 45.444 45.100 -0.014 0.000 0.870 887 G HN 0.708 nan 8.290 nan 0.000 0.528 888 G N -0.784 108.079 108.800 0.105 0.000 2.663 888 G HA2 0.325 4.285 3.960 -0.000 0.000 0.686 888 G HA3 0.325 4.285 3.960 -0.000 0.000 0.686 888 G C 0.068 175.057 174.900 0.148 0.000 1.288 888 G CA -0.002 45.178 45.100 0.132 0.000 0.836 888 G HN 1.890 nan 8.290 nan 0.000 0.584 889 S N -0.216 115.563 115.700 0.132 0.000 2.592 889 S HA 0.476 4.946 4.470 -0.000 0.000 0.271 889 S C 0.925 175.607 174.600 0.136 0.000 1.326 889 S CA 0.316 58.584 58.200 0.112 0.000 1.024 889 S CB 1.801 65.054 63.200 0.089 0.000 0.921 889 S HN 0.582 nan 8.310 nan 0.000 0.527 890 D N 1.471 121.926 120.400 0.091 0.000 2.221 890 D HA -0.106 4.534 4.640 -0.000 0.000 0.204 890 D C 2.042 178.452 176.300 0.183 0.000 0.982 890 D CA 1.521 55.579 54.000 0.097 0.000 0.857 890 D CB -0.342 40.480 40.800 0.037 0.000 0.934 890 D HN 0.712 nan 8.370 nan 0.000 0.475 891 A N 1.427 124.327 122.820 0.134 0.000 1.832 891 A HA -0.029 4.291 4.320 -0.000 0.000 0.214 891 A C 2.378 180.044 177.584 0.136 0.000 1.200 891 A CA 2.063 54.171 52.037 0.118 0.000 0.610 891 A CB -0.826 18.221 19.000 0.077 0.000 0.842 891 A HN 0.223 nan 8.150 nan 0.000 0.444 892 A N -1.447 121.453 122.820 0.133 0.000 2.019 892 A HA -0.009 4.311 4.320 -0.000 0.000 0.219 892 A C 1.988 179.679 177.584 0.178 0.000 1.164 892 A CA 1.563 53.672 52.037 0.119 0.000 0.644 892 A CB -0.719 18.341 19.000 0.101 0.000 0.805 892 A HN 0.714 nan 8.150 nan 0.000 0.449 893 F N 0.819 120.833 119.950 0.106 0.000 2.031 893 F HA -0.188 4.339 4.527 -0.000 0.000 0.295 893 F C 2.216 178.156 175.800 0.233 0.000 1.133 893 F CA 2.322 60.422 58.000 0.166 0.000 1.188 893 F CB -0.509 38.541 39.000 0.084 0.000 0.974 893 F HN 0.408 nan 8.300 nan 0.000 0.473 894 E N 0.633 121.052 120.200 0.364 0.000 2.086 894 E HA -0.351 3.998 4.350 -0.000 0.000 0.200 894 E C 2.110 178.732 176.600 0.036 0.000 1.012 894 E CA 1.750 58.309 56.400 0.265 0.000 0.812 894 E CB -0.447 29.417 29.700 0.275 0.000 0.743 894 E HN 0.441 nan 8.360 nan 0.000 0.453 895 K N 0.147 120.543 120.400 -0.007 0.000 2.585 895 K HA -0.149 4.171 4.320 -0.000 0.000 0.194 895 K C 1.949 178.476 176.600 -0.122 0.000 1.037 895 K CA 0.557 56.791 56.287 -0.089 0.000 0.964 895 K CB 0.073 32.537 32.500 -0.061 0.000 0.787 895 K HN 0.049 nan 8.250 nan 0.000 0.488 896 R N -1.234 119.179 120.500 -0.144 0.000 2.144 896 R HA 0.034 4.374 4.340 -0.000 0.000 0.195 896 R C 0.986 177.014 176.300 -0.454 0.000 1.077 896 R CA 0.327 56.231 56.100 -0.325 0.000 1.120 896 R CB 0.177 30.227 30.300 -0.416 0.000 1.060 896 R HN 0.135 nan 8.270 nan 0.000 0.520 897 Y N 0.069 120.183 120.300 -0.311 0.000 2.458 897 Y HA 0.318 4.868 4.550 -0.000 0.000 0.254 897 Y C 0.432 176.340 175.900 0.014 0.000 1.120 897 Y CA -0.402 57.566 58.100 -0.220 0.000 1.282 897 Y CB 0.115 38.327 38.460 -0.414 0.000 1.109 897 Y HN -0.148 nan 8.280 nan 0.000 0.526 898 R N 1.556 122.174 120.500 0.197 0.000 2.389 898 R HA 0.428 4.768 4.340 -0.000 0.000 0.295 898 R C -1.389 174.878 176.300 -0.055 0.000 1.075 898 R CA -0.197 55.944 56.100 0.069 0.000 1.005 898 R CB 0.135 30.347 30.300 -0.147 0.000 0.987 898 R HN -0.057 nan 8.270 nan 0.000 0.452 899 V N 4.425 124.304 119.914 -0.057 0.000 2.638 899 V HA 0.349 4.469 4.120 -0.000 0.000 0.306 899 V C -0.974 175.087 176.094 -0.055 0.000 1.052 899 V CA -0.820 61.454 62.300 -0.044 0.000 0.885 899 V CB 2.059 33.871 31.823 -0.018 0.000 0.999 899 V HN 0.744 nan 8.190 nan 0.000 0.424 900 D N 3.573 123.961 120.400 -0.020 0.000 2.346 900 D HA 0.355 4.994 4.640 -0.000 0.000 0.255 900 D C 0.700 176.998 176.300 -0.005 0.000 1.276 900 D CA -0.325 53.667 54.000 -0.012 0.000 0.941 900 D CB 1.575 42.389 40.800 0.024 0.000 1.199 900 D HN 0.429 nan 8.370 nan 0.000 0.537 901 L N 2.215 123.429 121.223 -0.015 0.000 2.450 901 L HA 0.006 4.345 4.340 -0.000 0.000 0.224 901 L C 1.222 178.080 176.870 -0.019 0.000 1.149 901 L CA 0.786 55.617 54.840 -0.016 0.000 0.816 901 L CB -0.009 42.039 42.059 -0.017 0.000 0.932 901 L HN 0.360 nan 8.230 nan 0.000 0.449 902 L N -0.200 121.010 121.223 -0.021 0.000 3.084 902 L HA 0.292 4.632 4.340 -0.000 0.000 0.238 902 L C -0.185 176.664 176.870 -0.035 0.000 1.327 902 L CA 0.014 54.839 54.840 -0.025 0.000 1.094 902 L CB -0.517 41.528 42.059 -0.024 0.000 1.477 902 L HN 0.210 nan 8.230 nan 0.000 0.514 903 N N -1.358 117.319 118.700 -0.038 0.000 2.666 903 N HA 0.060 4.800 4.740 -0.000 0.000 0.260 903 N C 0.489 175.958 175.510 -0.070 0.000 1.077 903 N CA -0.180 52.829 53.050 -0.069 0.000 1.026 903 N CB 1.537 39.971 38.487 -0.090 0.000 1.653 903 N HN -0.097 nan 8.380 nan 0.000 0.533 904 T N 0.934 115.438 114.554 -0.083 0.000 2.778 904 T HA -0.133 4.217 4.350 -0.000 0.000 0.269 904 T C 0.504 175.163 174.700 -0.067 0.000 1.050 904 T CA 1.389 63.448 62.100 -0.067 0.000 1.137 904 T CB -0.097 68.730 68.868 -0.067 0.000 0.860 904 T HN 0.569 nan 8.240 nan 0.000 0.468 905 D N -0.552 119.772 120.400 -0.126 0.000 2.422 905 D HA 0.018 4.657 4.640 -0.000 0.000 0.218 905 D C 0.421 176.793 176.300 0.119 0.000 1.047 905 D CA 0.491 54.445 54.000 -0.077 0.000 0.885 905 D CB 0.125 40.811 40.800 -0.189 0.000 1.035 905 D HN 0.392 nan 8.370 nan 0.000 0.502 906 H N 0.231 119.277 119.070 -0.040 0.000 2.507 906 H HA 0.385 4.941 4.556 -0.000 0.000 0.271 906 H C -0.311 174.986 175.328 -0.053 0.000 1.224 906 H CA -0.227 55.791 56.048 -0.049 0.000 1.000 906 H CB 0.139 29.866 29.762 -0.059 0.000 1.663 906 H HN -0.129 nan 8.280 nan 0.000 0.548 907 T N 0.495 115.086 114.554 0.062 0.000 2.906 907 T HA 0.460 4.810 4.350 -0.000 0.000 0.295 907 T C -0.251 174.447 174.700 -0.003 0.000 1.075 907 T CA -0.807 61.301 62.100 0.014 0.000 1.005 907 T CB 0.976 69.842 68.868 -0.003 0.000 1.136 907 T HN 0.219 nan 8.240 nan 0.000 0.498 908 L N 3.615 124.827 121.223 -0.019 0.000 2.500 908 L HA 0.230 4.570 4.340 -0.000 0.000 0.272 908 L C 0.963 177.818 176.870 -0.024 0.000 1.149 908 L CA -0.401 54.421 54.840 -0.030 0.000 0.897 908 L CB 0.028 42.063 42.059 -0.040 0.000 1.178 908 L HN 0.663 nan 8.230 nan 0.000 0.473 909 D N 7.026 127.413 120.400 -0.022 0.000 2.488 909 D HA -0.003 4.636 4.640 -0.000 0.000 0.238 909 D C -1.584 174.704 176.300 -0.020 0.000 1.138 909 D CA -1.102 52.887 54.000 -0.018 0.000 0.873 909 D CB 1.462 42.253 40.800 -0.016 0.000 1.183 909 D HN 0.356 nan 8.370 nan 0.000 0.458 910 P HA -0.042 nan 4.420 nan 0.000 0.269 910 P C 0.540 177.831 177.300 -0.015 0.000 1.376 910 P CA 0.290 63.379 63.100 -0.017 0.000 0.775 910 P CB -0.246 31.445 31.700 -0.015 0.000 1.345 911 S N -2.138 113.554 115.700 -0.014 0.000 2.540 911 S HA 0.179 4.649 4.470 -0.000 0.000 0.218 911 S C 1.411 176.006 174.600 -0.009 0.000 0.977 911 S CA -0.243 57.952 58.200 -0.009 0.000 0.918 911 S CB -0.586 62.611 63.200 -0.005 0.000 0.806 911 S HN 0.089 nan 8.310 nan 0.000 0.496 912 L N -0.395 120.817 121.223 -0.018 0.000 2.435 912 L HA 0.492 4.832 4.340 -0.000 0.000 0.195 912 L C 0.706 177.558 176.870 -0.030 0.000 1.072 912 L CA -0.081 54.745 54.840 -0.024 0.000 0.833 912 L CB -0.261 41.776 42.059 -0.037 0.000 1.081 912 L HN 0.279 nan 8.230 nan 0.000 0.485 913 L N -0.020 121.182 121.223 -0.035 0.000 2.448 913 L HA 0.169 4.509 4.340 -0.000 0.000 0.258 913 L C 0.936 177.788 176.870 -0.030 0.000 1.104 913 L CA 0.413 55.230 54.840 -0.040 0.000 0.800 913 L CB 0.859 42.891 42.059 -0.046 0.000 1.241 913 L HN 0.118 nan 8.230 nan 0.000 0.472 914 E N -0.995 119.187 120.200 -0.031 0.000 2.474 914 E HA 0.083 4.432 4.350 -0.000 0.000 0.195 914 E C -0.198 176.389 176.600 -0.021 0.000 1.039 914 E CA 0.641 57.027 56.400 -0.023 0.000 0.881 914 E CB 0.310 29.997 29.700 -0.022 0.000 0.970 914 E HN 0.692 nan 8.360 nan 0.000 0.486 915 S N -1.703 113.982 115.700 -0.025 0.000 2.977 915 S HA 0.256 4.726 4.470 -0.000 0.000 0.250 915 S C 1.290 175.876 174.600 -0.023 0.000 1.005 915 S CA -0.221 57.966 58.200 -0.023 0.000 1.081 915 S CB 0.797 63.982 63.200 -0.024 0.000 1.018 915 S HN 0.210 nan 8.310 nan 0.000 0.539 916 G N 3.006 111.792 108.800 -0.023 0.000 2.442 916 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.219 916 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.219 916 G C 1.572 176.460 174.900 -0.020 0.000 1.141 916 G CA 1.402 46.489 45.100 -0.023 0.000 0.763 916 G HN 0.788 nan 8.290 nan 0.000 0.554 917 S N 0.716 116.406 115.700 -0.017 0.000 2.421 917 S HA -0.010 4.459 4.470 -0.000 0.000 0.224 917 S C 1.964 176.555 174.600 -0.015 0.000 1.035 917 S CA 1.201 59.391 58.200 -0.016 0.000 0.953 917 S CB -0.130 63.062 63.200 -0.014 0.000 0.810 917 S HN 0.582 nan 8.310 nan 0.000 0.497 918 E N 0.930 121.120 120.200 -0.015 0.000 2.511 918 E HA 0.161 4.511 4.350 -0.000 0.000 0.196 918 E C 1.430 178.020 176.600 -0.016 0.000 1.066 918 E CA 0.577 56.969 56.400 -0.015 0.000 0.871 918 E CB -0.291 29.401 29.700 -0.014 0.000 0.863 918 E HN 0.668 nan 8.360 nan 0.000 0.520 919 I N 0.018 120.577 120.570 -0.018 0.000 4.139 919 I HA 0.113 4.283 4.170 -0.000 0.000 0.320 919 I C 0.678 176.784 176.117 -0.019 0.000 1.290 919 I CA -0.424 60.864 61.300 -0.019 0.000 1.253 919 I CB 0.526 38.512 38.000 -0.023 0.000 1.122 919 I HN 0.155 nan 8.210 nan 0.000 0.421 920 L N 2.364 123.576 121.223 -0.018 0.000 2.654 920 L HA 0.058 4.398 4.340 -0.000 0.000 0.271 920 L C 1.116 177.976 176.870 -0.018 0.000 1.169 920 L CA 1.083 55.912 54.840 -0.018 0.000 0.947 920 L CB 0.119 42.166 42.059 -0.019 0.000 1.232 920 L HN 0.493 nan 8.230 nan 0.000 0.486 921 G N 2.348 111.137 108.800 -0.018 0.000 2.213 921 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.226 921 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.226 921 G C 0.233 175.124 174.900 -0.015 0.000 0.992 921 G CA 0.028 45.117 45.100 -0.017 0.000 0.632 921 G HN 0.674 nan 8.290 nan 0.000 0.511 922 D N 1.210 121.601 120.400 -0.015 0.000 2.451 922 D HA 0.202 4.841 4.640 -0.000 0.000 0.254 922 D C 1.901 178.194 176.300 -0.012 0.000 1.204 922 D CA 0.065 54.057 54.000 -0.013 0.000 0.896 922 D CB 0.402 41.194 40.800 -0.013 0.000 1.136 922 D HN 0.292 nan 8.370 nan 0.000 0.499 923 L N 3.985 125.202 121.223 -0.011 0.000 2.109 923 L HA -0.149 4.191 4.340 -0.000 0.000 0.207 923 L C 2.363 179.229 176.870 -0.007 0.000 1.086 923 L CA 0.931 55.766 54.840 -0.009 0.000 0.760 923 L CB -0.183 41.871 42.059 -0.008 0.000 0.910 923 L HN 0.330 nan 8.230 nan 0.000 0.437 924 K N 0.083 120.478 120.400 -0.007 0.000 2.148 924 K HA -0.080 4.240 4.320 -0.000 0.000 0.204 924 K C 2.050 178.647 176.600 -0.005 0.000 1.050 924 K CA 0.969 57.252 56.287 -0.006 0.000 0.942 924 K CB -0.017 32.480 32.500 -0.006 0.000 0.724 924 K HN 0.233 nan 8.250 nan 0.000 0.446 925 L N 0.468 121.687 121.223 -0.008 0.000 2.068 925 L HA -0.091 4.249 4.340 -0.000 0.000 0.204 925 L C 2.418 179.285 176.870 -0.006 0.000 1.076 925 L CA 0.703 55.538 54.840 -0.009 0.000 0.753 925 L CB -0.294 41.757 42.059 -0.013 0.000 0.910 925 L HN 0.179 nan 8.230 nan 0.000 0.439 926 Q N 0.033 119.829 119.800 -0.007 0.000 2.443 926 Q HA -0.126 4.214 4.340 -0.000 0.000 0.213 926 Q C 2.009 178.010 176.000 0.001 0.000 0.982 926 Q CA 1.016 56.815 55.803 -0.006 0.000 0.894 926 Q CB 0.012 28.744 28.738 -0.011 0.000 0.947 926 Q HN 0.394 nan 8.270 nan 0.000 0.480 927 V N -0.338 119.577 119.914 0.002 0.000 2.599 927 V HA -0.129 3.991 4.120 -0.000 0.000 0.245 927 V C 2.211 178.313 176.094 0.013 0.000 1.046 927 V CA 0.672 62.977 62.300 0.007 0.000 1.065 927 V CB -0.290 31.536 31.823 0.004 0.000 0.703 927 V HN 0.245 nan 8.190 nan 0.000 0.464 928 L N -0.306 120.922 121.223 0.009 0.000 2.201 928 L HA -0.075 4.265 4.340 -0.000 0.000 0.212 928 L C 2.278 179.161 176.870 0.022 0.000 1.105 928 L CA 0.821 55.669 54.840 0.012 0.000 0.775 928 L CB -0.224 41.838 42.059 0.005 0.000 0.913 928 L HN 0.312 nan 8.230 nan 0.000 0.440 929 L N -0.491 120.746 121.223 0.023 0.000 2.395 929 L HA -0.113 4.226 4.340 -0.000 0.000 0.218 929 L C 1.757 178.669 176.870 0.070 0.000 1.130 929 L CA 1.458 56.320 54.840 0.038 0.000 0.826 929 L CB -0.692 41.377 42.059 0.017 0.000 0.941 929 L HN 0.295 nan 8.230 nan 0.000 0.451 930 D N -0.338 120.096 120.400 0.057 0.000 2.202 930 D HA -0.125 4.515 4.640 -0.000 0.000 0.214 930 D C 1.811 178.166 176.300 0.092 0.000 0.967 930 D CA 0.626 54.676 54.000 0.082 0.000 0.871 930 D CB 0.150 40.979 40.800 0.049 0.000 1.020 930 D HN 0.291 nan 8.370 nan 0.000 0.474 931 E N 0.996 121.227 120.200 0.052 0.000 2.113 931 E HA -0.284 4.066 4.350 -0.000 0.000 0.210 931 E C 1.943 178.568 176.600 0.042 0.000 1.040 931 E CA 1.645 58.066 56.400 0.034 0.000 0.847 931 E CB -0.044 29.667 29.700 0.018 0.000 0.755 931 E HN 0.369 nan 8.360 nan 0.000 0.459 932 E N -0.079 120.155 120.200 0.056 0.000 2.001 932 E HA -0.249 4.101 4.350 -0.000 0.000 0.195 932 E C 2.088 178.741 176.600 0.088 0.000 1.002 932 E CA 1.232 57.667 56.400 0.059 0.000 0.819 932 E CB -0.360 29.381 29.700 0.068 0.000 0.769 932 E HN 0.331 nan 8.360 nan 0.000 0.454 933 Y N 1.357 121.674 120.300 0.027 0.000 2.256 933 Y HA -0.193 4.357 4.550 -0.000 0.000 0.288 933 Y C 1.962 177.895 175.900 0.055 0.000 1.155 933 Y CA 1.788 59.918 58.100 0.050 0.000 1.203 933 Y CB 0.163 38.655 38.460 0.052 0.000 0.980 933 Y HN -0.000 nan 8.280 nan 0.000 0.530 934 K N -0.336 120.165 120.400 0.168 0.000 2.211 934 K HA -0.206 4.114 4.320 -0.000 0.000 0.203 934 K C 1.968 178.555 176.600 -0.021 0.000 1.050 934 K CA 1.258 57.596 56.287 0.086 0.000 0.945 934 K CB -0.101 32.447 32.500 0.080 0.000 0.732 934 K HN 0.349 nan 8.250 nan 0.000 0.451 935 Q N 1.627 121.405 119.800 -0.036 0.000 1.941 935 Q HA -0.074 4.266 4.340 -0.000 0.000 0.201 935 Q C 2.005 177.935 176.000 -0.116 0.000 0.982 935 Q CA 1.448 57.207 55.803 -0.073 0.000 0.839 935 Q CB -0.493 28.209 28.738 -0.061 0.000 0.904 935 Q HN 0.198 nan 8.270 nan 0.000 0.427 936 L N 0.089 121.232 121.223 -0.133 0.000 2.171 936 L HA -0.255 4.085 4.340 -0.000 0.000 0.216 936 L C 2.285 179.056 176.870 -0.165 0.000 1.084 936 L CA 1.439 56.184 54.840 -0.157 0.000 0.771 936 L CB -1.045 40.888 42.059 -0.209 0.000 0.890 936 L HN 0.177 nan 8.230 nan 0.000 0.437 937 V N -0.371 119.415 119.914 -0.213 0.000 2.548 937 V HA -0.224 3.896 4.120 -0.000 0.000 0.249 937 V C 2.562 178.551 176.094 -0.175 0.000 1.055 937 V CA 1.635 63.785 62.300 -0.251 0.000 1.065 937 V CB -0.541 31.162 31.823 -0.200 0.000 0.681 937 V HN 0.429 nan 8.190 nan 0.000 0.462 938 K N 0.207 120.532 120.400 -0.126 0.000 2.057 938 K HA -0.229 4.091 4.320 -0.000 0.000 0.207 938 K C 1.754 178.307 176.600 -0.078 0.000 1.049 938 K CA 1.986 58.217 56.287 -0.093 0.000 0.931 938 K CB -0.151 32.289 32.500 -0.100 0.000 0.714 938 K HN 0.452 nan 8.250 nan 0.000 0.440 939 D N 0.069 120.401 120.400 -0.113 0.000 2.081 939 D HA -0.174 4.465 4.640 -0.000 0.000 0.194 939 D C 1.872 178.145 176.300 -0.045 0.000 0.986 939 D CA 1.296 55.246 54.000 -0.082 0.000 0.837 939 D CB -0.253 40.476 40.800 -0.118 0.000 0.985 939 D HN 0.107 nan 8.370 nan 0.000 0.448 940 R N 0.667 121.085 120.500 -0.137 0.000 2.196 940 R HA -0.204 4.135 4.340 -0.000 0.000 0.259 940 R C 1.699 177.923 176.300 -0.126 0.000 1.154 940 R CA 1.734 57.724 56.100 -0.184 0.000 0.976 940 R CB 0.059 30.112 30.300 -0.412 0.000 0.888 940 R HN 0.044 nan 8.270 nan 0.000 0.453 941 K N -0.895 119.441 120.400 -0.107 0.000 2.243 941 K HA -0.080 4.240 4.320 -0.000 0.000 0.201 941 K C 1.836 178.412 176.600 -0.040 0.000 1.051 941 K CA 0.935 57.176 56.287 -0.076 0.000 0.970 941 K CB -0.234 32.221 32.500 -0.076 0.000 0.755 941 K HN 0.289 nan 8.250 nan 0.000 0.465 942 F N 1.589 121.439 119.950 -0.167 0.000 2.367 942 F HA 0.009 4.536 4.527 -0.000 0.000 0.298 942 F C 1.604 177.253 175.800 -0.252 0.000 1.094 942 F CA 0.730 58.620 58.000 -0.184 0.000 1.409 942 F CB 0.068 38.960 39.000 -0.179 0.000 1.064 942 F HN -0.175 nan 8.300 nan 0.000 0.528 943 L N 0.011 121.118 121.223 -0.194 0.000 2.341 943 L HA 0.028 4.368 4.340 -0.000 0.000 0.214 943 L C 1.908 178.546 176.870 -0.387 0.000 1.115 943 L CA 0.598 55.176 54.840 -0.437 0.000 0.820 943 L CB -0.575 41.323 42.059 -0.267 0.000 0.944 943 L HN 0.039 nan 8.230 nan 0.000 0.452 944 R N 0.044 120.429 120.500 -0.192 0.000 2.313 944 R HA -0.018 4.321 4.340 -0.000 0.000 0.199 944 R C 1.302 177.528 176.300 -0.124 0.000 0.958 944 R CA 0.216 56.285 56.100 -0.052 0.000 1.047 944 R CB 0.145 30.469 30.300 0.040 0.000 0.955 944 R HN 0.378 nan 8.270 nan 0.000 0.481 945 E N -0.067 119.962 120.200 -0.284 0.000 2.473 945 E HA 0.025 4.375 4.350 -0.000 0.000 0.204 945 E C 1.004 177.370 176.600 -0.390 0.000 0.994 945 E CA 0.077 56.290 56.400 -0.312 0.000 0.945 945 E CB 0.777 30.256 29.700 -0.369 0.000 0.990 945 E HN 0.045 nan 8.360 nan 0.000 0.493 946 V N -0.230 119.376 119.914 -0.514 0.000 3.013 946 V HA 0.145 4.265 4.120 -0.000 0.000 0.238 946 V C 0.463 176.533 176.094 -0.040 0.000 1.161 946 V CA 0.428 62.444 62.300 -0.473 0.000 1.170 946 V CB 0.324 31.592 31.823 -0.925 0.000 0.917 946 V HN 0.110 nan 8.190 nan 0.000 0.478 947 F N 0.447 120.263 119.950 -0.223 0.000 2.319 947 F HA 0.355 4.881 4.527 -0.000 0.000 0.356 947 F C 0.992 176.796 175.800 0.007 0.000 1.100 947 F CA -0.611 57.344 58.000 -0.075 0.000 1.220 947 F CB 1.095 40.088 39.000 -0.011 0.000 1.506 947 F HN -0.140 nan 8.300 nan 0.000 0.512 948 V N 0.170 120.186 119.914 0.169 0.000 3.241 948 V HA -0.214 3.906 4.120 -0.000 0.000 0.269 948 V C 1.448 177.669 176.094 0.211 0.000 1.151 948 V CA 1.347 63.728 62.300 0.134 0.000 1.158 948 V CB -0.594 31.257 31.823 0.046 0.000 0.764 948 V HN 0.659 nan 8.190 nan 0.000 0.508 949 D N 0.885 121.416 120.400 0.219 0.000 2.194 949 D HA 0.031 4.671 4.640 -0.000 0.000 0.204 949 D C 2.054 178.462 176.300 0.179 0.000 0.964 949 D CA 1.492 55.605 54.000 0.189 0.000 0.846 949 D CB 0.208 41.090 40.800 0.137 0.000 0.962 949 D HN 0.554 nan 8.370 nan 0.000 0.490 950 G N 1.250 110.114 108.800 0.108 0.000 2.234 950 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.235 950 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.235 950 G C 0.351 175.150 174.900 -0.168 0.000 0.997 950 G CA 0.269 45.135 45.100 -0.389 0.000 0.623 950 G HN 0.331 nan 8.290 nan 0.000 0.514 951 E N 1.323 121.530 120.200 0.012 0.000 2.606 951 E HA 0.506 4.856 4.350 -0.000 0.000 0.248 951 E C 1.186 177.900 176.600 0.191 0.000 1.005 951 E CA 0.957 57.351 56.400 -0.010 0.000 0.946 951 E CB 0.470 30.089 29.700 -0.136 0.000 0.928 951 E HN 0.880 nan 8.360 nan 0.000 0.494 952 A N 5.248 128.134 122.820 0.110 0.000 2.379 952 A HA 0.107 4.427 4.320 -0.000 0.000 0.236 952 A C -0.056 177.670 177.584 0.236 0.000 1.272 952 A CA -0.359 51.843 52.037 0.275 0.000 0.886 952 A CB -0.082 19.008 19.000 0.149 0.000 0.962 952 A HN 0.517 nan 8.150 nan 0.000 0.504 953 N N 0.144 118.771 118.700 -0.121 0.000 2.437 953 N HA 0.457 5.197 4.740 -0.000 0.000 0.259 953 N C -1.561 173.578 175.510 -0.619 0.000 0.983 953 N CA 0.165 53.081 53.050 -0.222 0.000 0.937 953 N CB 0.837 39.171 38.487 -0.255 0.000 1.122 953 N HN 0.431 nan 8.380 nan 0.000 0.499 954 W N 1.580 122.867 121.300 -0.021 0.000 3.118 954 W HA 0.369 5.029 4.660 -0.000 0.000 0.328 954 W C -2.227 174.311 176.519 0.031 0.000 1.239 954 W CA -1.541 55.785 57.345 -0.031 0.000 1.176 954 W CB 0.953 30.394 29.460 -0.031 0.000 1.433 954 W HN 0.270 nan 8.180 nan 0.000 0.562 955 P HA 0.258 nan 4.420 nan 0.000 0.276 955 P C -0.939 176.494 177.300 0.221 0.000 1.264 955 P CA 0.512 63.749 63.100 0.228 0.000 0.769 955 P CB 0.962 32.816 31.700 0.256 0.000 0.840 956 L N 6.257 127.594 121.223 0.190 0.000 2.470 956 L HA 0.401 4.741 4.340 -0.000 0.000 0.268 956 L C -2.241 174.698 176.870 0.114 0.000 0.964 956 L CA -2.655 52.292 54.840 0.178 0.000 0.839 956 L CB 3.147 45.366 42.059 0.267 0.000 1.276 956 L HN 0.187 nan 8.230 nan 0.000 0.403 957 P HA -0.021 nan 4.420 nan 0.000 0.269 957 P C -0.309 176.946 177.300 -0.075 0.000 1.211 957 P CA 0.210 63.256 63.100 -0.090 0.000 0.781 957 P CB 0.857 32.393 31.700 -0.274 0.000 0.877 958 V N -0.244 119.650 119.914 -0.033 0.000 3.677 958 V HA -0.211 3.909 4.120 -0.000 0.000 0.479 958 V C 0.585 176.757 176.094 0.129 0.000 0.682 958 V CA 0.327 62.660 62.300 0.054 0.000 1.977 958 V CB -1.571 30.323 31.823 0.118 0.000 2.402 958 V HN 0.866 nan 8.190 nan 0.000 0.501 959 N N 5.069 123.815 118.700 0.076 0.000 2.415 959 N HA 0.274 5.014 4.740 -0.000 0.000 0.250 959 N C 0.914 176.456 175.510 0.054 0.000 1.127 959 N CA -0.013 53.075 53.050 0.064 0.000 0.945 959 N CB 0.743 39.239 38.487 0.015 0.000 1.196 959 N HN 0.723 nan 8.380 nan 0.000 0.499 960 I N 2.503 123.122 120.570 0.081 0.000 2.546 960 I HA -0.162 4.008 4.170 -0.000 0.000 0.255 960 I C 2.392 178.498 176.117 -0.018 0.000 1.163 960 I CA 0.391 61.714 61.300 0.038 0.000 1.457 960 I CB -0.013 38.022 38.000 0.058 0.000 1.092 960 I HN 0.521 nan 8.210 nan 0.000 0.434 961 R N 1.348 121.844 120.500 -0.006 0.000 2.091 961 R HA -0.178 4.162 4.340 -0.000 0.000 0.238 961 R C 2.390 178.642 176.300 -0.080 0.000 1.136 961 R CA 1.622 57.698 56.100 -0.040 0.000 0.959 961 R CB -0.072 30.223 30.300 -0.010 0.000 0.856 961 R HN 0.256 nan 8.270 nan 0.000 0.437 962 R N 0.148 120.613 120.500 -0.058 0.000 2.055 962 R HA -0.023 4.317 4.340 -0.000 0.000 0.226 962 R C 2.478 178.764 176.300 -0.022 0.000 1.135 962 R CA 1.363 57.425 56.100 -0.063 0.000 0.959 962 R CB -0.544 29.736 30.300 -0.033 0.000 0.854 962 R HN 0.292 nan 8.270 nan 0.000 0.431 963 I N 1.142 121.703 120.570 -0.014 0.000 2.290 963 I HA -0.349 3.821 4.170 -0.000 0.000 0.253 963 I C 1.949 178.101 176.117 0.059 0.000 1.112 963 I CA 1.556 62.850 61.300 -0.009 0.000 1.377 963 I CB 0.056 38.022 38.000 -0.057 0.000 1.060 963 I HN 0.221 nan 8.210 nan 0.000 0.428 964 I N -0.198 120.362 120.570 -0.018 0.000 2.480 964 I HA -0.231 3.938 4.170 -0.000 0.000 0.251 964 I C 2.273 178.395 176.117 0.009 0.000 1.124 964 I CA 0.771 62.044 61.300 -0.045 0.000 1.444 964 I CB -0.182 37.617 38.000 -0.335 0.000 1.098 964 I HN 0.266 nan 8.210 nan 0.000 0.428 965 Q N 0.510 120.288 119.800 -0.035 0.000 2.364 965 Q HA -0.162 4.178 4.340 -0.000 0.000 0.209 965 Q C 1.654 177.728 176.000 0.123 0.000 0.977 965 Q CA 0.943 56.730 55.803 -0.027 0.000 0.885 965 Q CB -0.062 28.509 28.738 -0.279 0.000 0.941 965 Q HN 0.523 nan 8.270 nan 0.000 0.464 966 N N 0.329 119.149 118.700 0.200 0.000 2.250 966 N HA -0.051 4.689 4.740 -0.000 0.000 0.181 966 N C 1.639 177.288 175.510 0.232 0.000 1.017 966 N CA 1.092 54.322 53.050 0.300 0.000 0.866 966 N CB -0.149 38.636 38.487 0.496 0.000 0.985 966 N HN 0.190 nan 8.380 nan 0.000 0.429 967 A N 1.943 124.970 122.820 0.345 0.000 1.877 967 A HA -0.181 4.138 4.320 -0.000 0.000 0.216 967 A C 2.051 179.702 177.584 0.111 0.000 1.186 967 A CA 1.158 53.271 52.037 0.127 0.000 0.620 967 A CB -0.556 18.575 19.000 0.218 0.000 0.822 967 A HN 0.164 nan 8.150 nan 0.000 0.443 968 Q N -0.280 119.578 119.800 0.097 0.000 2.105 968 Q HA -0.328 4.012 4.340 -0.000 0.000 0.217 968 Q C 1.995 178.003 176.000 0.013 0.000 1.029 968 Q CA 2.726 58.575 55.803 0.076 0.000 0.899 968 Q CB -0.524 28.288 28.738 0.123 0.000 1.000 968 Q HN 1.035 nan 8.270 nan 0.000 0.414 969 Q N -2.084 117.688 119.800 -0.047 0.000 2.247 969 Q HA 0.201 4.540 4.340 -0.000 0.000 0.211 969 Q C 1.361 177.031 176.000 -0.550 0.000 0.861 969 Q CA 0.397 56.034 55.803 -0.276 0.000 0.949 969 Q CB 0.260 28.922 28.738 -0.127 0.000 1.115 969 Q HN 0.039 nan 8.270 nan 0.000 0.507 970 T N 0.291 114.621 114.554 -0.373 0.000 2.951 970 T HA 0.028 4.377 4.350 -0.000 0.000 0.268 970 T C 0.254 174.450 174.700 -0.841 0.000 1.073 970 T CA 0.991 62.699 62.100 -0.653 0.000 1.134 970 T CB -0.052 68.239 68.868 -0.962 0.000 0.884 970 T HN 0.344 nan 8.240 nan 0.000 0.479 971 F N -0.672 119.030 119.950 -0.414 0.000 2.706 971 F HA 0.346 4.873 4.527 -0.000 0.000 0.313 971 F C 0.255 175.987 175.800 -0.114 0.000 1.096 971 F CA -1.027 56.829 58.000 -0.239 0.000 1.219 971 F CB -0.258 38.620 39.000 -0.203 0.000 1.051 971 F HN 0.067 nan 8.300 nan 0.000 0.568 972 H N 1.620 120.739 119.070 0.082 0.000 2.862 972 H HA -0.121 4.435 4.556 -0.000 0.000 0.299 972 H C -0.108 175.234 175.328 0.022 0.000 0.877 972 H CA 0.402 56.468 56.048 0.029 0.000 0.955 972 H CB -1.011 28.751 29.762 0.001 0.000 1.579 972 H HN 0.259 nan 8.280 nan 0.000 0.321 973 I N 4.289 124.902 120.570 0.070 0.000 2.377 973 I HA 0.105 4.275 4.170 -0.000 0.000 0.293 973 I C 0.716 176.782 176.117 -0.085 0.000 0.987 973 I CA -0.686 60.617 61.300 0.004 0.000 1.185 973 I CB 1.563 39.556 38.000 -0.011 0.000 1.341 973 I HN 0.355 nan 8.210 nan 0.000 0.455 974 D N 5.004 125.366 120.400 -0.063 0.000 2.210 974 D HA 0.094 4.734 4.640 -0.000 0.000 0.249 974 D C 0.246 176.503 176.300 -0.072 0.000 1.078 974 D CA -0.434 53.515 54.000 -0.085 0.000 0.875 974 D CB 1.057 41.851 40.800 -0.011 0.000 1.175 974 D HN 0.473 nan 8.370 nan 0.000 0.440 975 H N 1.031 120.129 119.070 0.046 0.000 2.787 975 H HA 0.041 4.597 4.556 -0.000 0.000 0.302 975 H C 1.144 176.484 175.328 0.021 0.000 1.098 975 H CA 0.504 56.573 56.048 0.035 0.000 1.192 975 H CB -0.321 29.463 29.762 0.038 0.000 1.316 975 H HN 0.690 nan 8.280 nan 0.000 0.590 976 T N -3.233 111.379 114.554 0.096 0.000 3.431 976 T HA 0.119 4.469 4.350 -0.000 0.000 0.207 976 T C 0.637 175.359 174.700 0.036 0.000 0.979 976 T CA -0.490 61.647 62.100 0.061 0.000 1.141 976 T CB 0.819 69.715 68.868 0.047 0.000 1.278 976 T HN 0.013 nan 8.240 nan 0.000 0.334 977 K N 4.010 124.425 120.400 0.025 0.000 2.368 977 K HA 0.336 4.655 4.320 -0.000 0.000 0.282 977 K C -2.288 174.319 176.600 0.011 0.000 1.035 977 K CA -1.634 54.661 56.287 0.014 0.000 0.973 977 K CB 0.473 32.980 32.500 0.011 0.000 0.957 977 K HN 0.447 nan 8.250 nan 0.000 0.474 978 P HA -0.129 nan 4.420 nan 0.000 0.269 978 P C 0.139 177.432 177.300 -0.010 0.000 1.205 978 P CA 0.106 63.203 63.100 -0.005 0.000 0.780 978 P CB 0.872 32.566 31.700 -0.010 0.000 0.858 979 S N 0.548 116.235 115.700 -0.021 0.000 2.423 979 S HA 0.121 4.590 4.470 -0.000 0.000 0.244 979 S C 0.074 174.653 174.600 -0.035 0.000 1.267 979 S CA 0.280 58.461 58.200 -0.031 0.000 0.988 979 S CB -0.152 63.019 63.200 -0.049 0.000 0.978 979 S HN 0.720 nan 8.310 nan 0.000 0.506 980 D N 0.668 121.039 120.400 -0.048 0.000 3.449 980 D HA 0.226 4.866 4.640 -0.000 0.000 0.262 980 D C -1.198 175.066 176.300 -0.060 0.000 1.343 980 D CA -0.190 53.784 54.000 -0.043 0.000 0.787 980 D CB -1.245 39.540 40.800 -0.025 0.000 1.412 980 D HN 0.327 nan 8.370 nan 0.000 0.652 981 L N 0.159 121.329 121.223 -0.087 0.000 2.381 981 L HA 0.513 4.853 4.340 -0.000 0.000 0.268 981 L C 0.435 177.244 176.870 -0.101 0.000 0.997 981 L CA -0.663 54.105 54.840 -0.120 0.000 0.818 981 L CB 2.295 44.221 42.059 -0.223 0.000 1.310 981 L HN -0.117 nan 8.230 nan 0.000 0.416 982 T N 1.668 116.172 114.554 -0.083 0.000 2.868 982 T HA 0.272 4.621 4.350 -0.000 0.000 0.292 982 T C 1.641 176.292 174.700 -0.082 0.000 1.028 982 T CA -0.257 61.805 62.100 -0.063 0.000 1.059 982 T CB 1.024 69.868 68.868 -0.040 0.000 0.991 982 T HN 0.417 nan 8.240 nan 0.000 0.531 983 I N 0.841 121.373 120.570 -0.064 0.000 2.454 983 I HA -0.154 4.016 4.170 -0.000 0.000 0.254 983 I C 2.324 178.408 176.117 -0.056 0.000 1.156 983 I CA 1.259 62.519 61.300 -0.066 0.000 1.433 983 I CB -0.350 37.623 38.000 -0.044 0.000 1.082 983 I HN 0.647 nan 8.210 nan 0.000 0.432 984 K N 0.588 120.964 120.400 -0.041 0.000 2.103 984 K HA -0.143 4.177 4.320 -0.000 0.000 0.204 984 K C 1.587 178.172 176.600 -0.024 0.000 1.052 984 K CA 1.241 57.514 56.287 -0.022 0.000 0.945 984 K CB -0.176 32.317 32.500 -0.013 0.000 0.722 984 K HN 0.166 nan 8.250 nan 0.000 0.443 985 D N 1.327 121.697 120.400 -0.051 0.000 2.156 985 D HA -0.189 4.451 4.640 -0.000 0.000 0.190 985 D C 1.823 178.066 176.300 -0.094 0.000 0.998 985 D CA 1.251 55.214 54.000 -0.062 0.000 0.842 985 D CB -0.278 40.450 40.800 -0.120 0.000 0.974 985 D HN 0.064 nan 8.370 nan 0.000 0.447 986 I N 0.050 120.464 120.570 -0.260 0.000 2.036 986 I HA -0.280 3.889 4.170 -0.000 0.000 0.231 986 I C 2.521 178.643 176.117 0.008 0.000 1.044 986 I CA 0.769 61.863 61.300 -0.343 0.000 1.315 986 I CB -0.553 37.227 38.000 -0.367 0.000 1.051 986 I HN -0.077 nan 8.210 nan 0.000 0.391 987 V N 1.125 121.036 119.914 -0.004 0.000 2.233 987 V HA -0.353 3.767 4.120 -0.000 0.000 0.252 987 V C 2.428 178.555 176.094 0.055 0.000 1.063 987 V CA 2.147 64.469 62.300 0.037 0.000 1.032 987 V CB -0.626 31.206 31.823 0.015 0.000 0.645 987 V HN 0.373 nan 8.190 nan 0.000 0.446 988 L N -0.050 121.198 121.223 0.042 0.000 2.042 988 L HA -0.140 4.199 4.340 -0.000 0.000 0.210 988 L C 2.569 179.484 176.870 0.074 0.000 1.076 988 L CA 1.814 56.681 54.840 0.044 0.000 0.749 988 L CB -0.985 41.092 42.059 0.031 0.000 0.893 988 L HN 0.507 nan 8.230 nan 0.000 0.432 989 G N -0.914 107.971 108.800 0.142 0.000 2.422 989 G HA2 -0.193 3.766 3.960 -0.000 0.000 0.218 989 G HA3 -0.193 3.766 3.960 -0.000 0.000 0.218 989 G C 1.441 176.422 174.900 0.134 0.000 1.146 989 G CA 0.946 46.168 45.100 0.204 0.000 0.769 989 G HN 0.285 nan 8.290 nan 0.000 0.547 990 V N 0.218 120.228 119.914 0.160 0.000 2.970 990 V HA 0.009 4.128 4.120 -0.000 0.000 0.260 990 V C 2.447 178.542 176.094 0.001 0.000 1.100 990 V CA 1.779 64.118 62.300 0.064 0.000 1.122 990 V CB -0.178 31.706 31.823 0.102 0.000 0.721 990 V HN 0.383 nan 8.190 nan 0.000 0.483 991 K N 0.296 120.704 120.400 0.013 0.000 2.076 991 K HA -0.119 4.200 4.320 -0.000 0.000 0.204 991 K C 1.777 178.362 176.600 -0.025 0.000 1.051 991 K CA 1.238 57.517 56.287 -0.014 0.000 0.949 991 K CB -0.053 32.444 32.500 -0.005 0.000 0.726 991 K HN 0.382 nan 8.250 nan 0.000 0.443 992 D N 1.131 121.525 120.400 -0.010 0.000 2.218 992 D HA -0.168 4.472 4.640 -0.000 0.000 0.204 992 D C 1.818 178.092 176.300 -0.043 0.000 0.976 992 D CA 0.649 54.638 54.000 -0.019 0.000 0.853 992 D CB -0.042 40.758 40.800 -0.002 0.000 0.939 992 D HN 0.152 nan 8.370 nan 0.000 0.481 993 L N 1.177 122.366 121.223 -0.056 0.000 1.973 993 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 993 L C 2.166 178.973 176.870 -0.105 0.000 1.073 993 L CA 1.741 56.528 54.840 -0.089 0.000 0.746 993 L CB -0.860 41.133 42.059 -0.109 0.000 0.891 993 L HN -0.081 nan 8.230 nan 0.000 0.433 994 Q N -0.503 119.235 119.800 -0.103 0.000 2.224 994 Q HA -0.287 4.053 4.340 -0.000 0.000 0.213 994 Q C 1.992 177.926 176.000 -0.110 0.000 0.998 994 Q CA 1.920 57.654 55.803 -0.114 0.000 0.895 994 Q CB -0.355 28.325 28.738 -0.096 0.000 0.926 994 Q HN 0.570 nan 8.270 nan 0.000 0.417 995 E N 0.209 120.358 120.200 -0.084 0.000 2.204 995 E HA -0.102 4.248 4.350 -0.000 0.000 0.195 995 E C 1.214 177.766 176.600 -0.079 0.000 0.990 995 E CA 0.724 57.082 56.400 -0.070 0.000 0.821 995 E CB -0.074 29.597 29.700 -0.049 0.000 0.750 995 E HN 0.405 nan 8.360 nan 0.000 0.477 996 N N 0.026 118.666 118.700 -0.101 0.000 2.280 996 N HA 0.043 4.783 4.740 -0.000 0.000 0.192 996 N C 0.512 175.920 175.510 -0.170 0.000 1.109 996 N CA 0.041 53.030 53.050 -0.101 0.000 0.855 996 N CB 0.574 39.014 38.487 -0.078 0.000 0.974 996 N HN 0.146 nan 8.380 nan 0.000 0.482 997 L N 2.186 123.226 121.223 -0.305 0.000 2.672 997 L HA 0.222 4.562 4.340 -0.000 0.000 0.238 997 L C -0.243 176.383 176.870 -0.407 0.000 1.392 997 L CA -0.113 54.289 54.840 -0.731 0.000 1.238 997 L CB -0.828 40.667 42.059 -0.940 0.000 1.548 997 L HN -0.128 nan 8.230 nan 0.000 0.423 998 L N -0.204 120.974 121.223 -0.075 0.000 2.360 998 L HA 0.194 4.534 4.340 -0.000 0.000 0.276 998 L C 1.011 178.020 176.870 0.233 0.000 1.121 998 L CA -0.273 54.610 54.840 0.073 0.000 0.845 998 L CB 1.054 43.136 42.059 0.038 0.000 1.143 998 L HN 0.048 nan 8.230 nan 0.000 0.452 999 V N 3.232 123.264 119.914 0.196 0.000 2.784 999 V HA 0.160 4.280 4.120 -0.000 0.000 0.231 999 V C 0.703 176.853 176.094 0.094 0.000 1.128 999 V CA 0.158 62.557 62.300 0.165 0.000 1.178 999 V CB 0.272 32.194 31.823 0.165 0.000 0.943 999 V HN 0.489 nan 8.190 nan 0.000 0.500 1000 L N 0.086 121.358 121.223 0.082 0.000 2.421 1000 L HA 0.352 4.692 4.340 -0.000 0.000 0.263 1000 L C 1.212 178.113 176.870 0.051 0.000 1.122 1000 L CA 0.174 55.053 54.840 0.066 0.000 0.804 1000 L CB 1.219 43.316 42.059 0.062 0.000 1.150 1000 L HN 0.135 nan 8.230 nan 0.000 0.457 1001 R N 0.893 121.419 120.500 0.044 0.000 2.369 1001 R HA 0.170 4.510 4.340 -0.000 0.000 0.210 1001 R C 0.640 176.953 176.300 0.022 0.000 0.881 1001 R CA 0.089 56.208 56.100 0.030 0.000 1.031 1001 R CB 0.530 30.845 30.300 0.026 0.000 1.184 1001 R HN 0.824 nan 8.270 nan 0.000 0.581 1002 G N 1.723 110.538 108.800 0.026 0.000 2.638 1002 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.227 1002 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.227 1002 G C 0.461 175.367 174.900 0.010 0.000 1.096 1002 G CA 0.297 45.409 45.100 0.019 0.000 0.866 1002 G HN 0.123 nan 8.290 nan 0.000 0.493 1003 K N 1.431 121.836 120.400 0.007 0.000 2.031 1003 K HA -0.068 4.251 4.320 -0.000 0.000 0.205 1003 K C 1.850 178.450 176.600 -0.000 0.000 1.049 1003 K CA 1.242 57.530 56.287 0.002 0.000 0.939 1003 K CB -0.278 32.223 32.500 0.002 0.000 0.717 1003 K HN 0.848 nan 8.250 nan 0.000 0.438 1004 N N -0.341 118.359 118.700 0.000 0.000 2.250 1004 N HA -0.099 4.641 4.740 -0.000 0.000 0.256 1004 N C 1.060 176.566 175.510 -0.007 0.000 1.302 1004 N CA 0.496 53.544 53.050 -0.004 0.000 0.894 1004 N CB 0.060 38.545 38.487 -0.003 0.000 1.067 1004 N HN 0.047 nan 8.380 nan 0.000 0.487 1005 E N -0.756 119.437 120.200 -0.011 0.000 2.065 1005 E HA 0.155 4.505 4.350 -0.000 0.000 0.191 1005 E C 1.791 178.378 176.600 -0.022 0.000 0.960 1005 E CA 0.652 57.042 56.400 -0.016 0.000 0.824 1005 E CB -0.348 29.341 29.700 -0.018 0.000 0.793 1005 E HN 0.615 nan 8.360 nan 0.000 0.459 1006 I N 1.323 121.878 120.570 -0.026 0.000 2.182 1006 I HA -0.344 3.826 4.170 -0.000 0.000 0.248 1006 I C 1.971 178.065 176.117 -0.037 0.000 1.073 1006 I CA 0.925 62.201 61.300 -0.040 0.000 1.335 1006 I CB -0.499 37.474 38.000 -0.046 0.000 1.031 1006 I HN 0.279 nan 8.210 nan 0.000 0.420 1007 I N 0.201 120.759 120.570 -0.020 0.000 2.110 1007 I HA -0.231 3.939 4.170 -0.000 0.000 0.236 1007 I C 2.613 178.726 176.117 -0.007 0.000 1.068 1007 I CA 1.480 62.776 61.300 -0.006 0.000 1.333 1007 I CB -1.431 36.574 38.000 0.007 0.000 1.054 1007 I HN 0.343 nan 8.210 nan 0.000 0.402 1008 Q N 0.802 120.597 119.800 -0.008 0.000 2.325 1008 Q HA -0.206 4.133 4.340 -0.000 0.000 0.211 1008 Q C 1.861 177.851 176.000 -0.017 0.000 0.988 1008 Q CA 1.138 56.935 55.803 -0.010 0.000 0.887 1008 Q CB -0.519 28.212 28.738 -0.013 0.000 0.915 1008 Q HN 0.575 nan 8.270 nan 0.000 0.440 1009 N N 0.228 118.914 118.700 -0.024 0.000 2.148 1009 N HA -0.058 4.682 4.740 -0.000 0.000 0.186 1009 N C 1.744 177.238 175.510 -0.027 0.000 1.031 1009 N CA 1.207 54.238 53.050 -0.031 0.000 0.848 1009 N CB -0.241 38.222 38.487 -0.040 0.000 1.005 1009 N HN 0.208 nan 8.380 nan 0.000 0.427 1010 A N 1.439 124.243 122.820 -0.027 0.000 1.958 1010 A HA -0.278 4.041 4.320 -0.000 0.000 0.221 1010 A C 2.202 179.790 177.584 0.007 0.000 1.178 1010 A CA 1.964 53.992 52.037 -0.016 0.000 0.642 1010 A CB -0.772 18.222 19.000 -0.010 0.000 0.816 1010 A HN 0.313 nan 8.150 nan 0.000 0.453 1011 Q N -0.057 119.749 119.800 0.009 0.000 1.935 1011 Q HA -0.223 4.116 4.340 -0.000 0.000 0.212 1011 Q C 2.180 178.188 176.000 0.013 0.000 1.008 1011 Q CA 2.503 58.318 55.803 0.021 0.000 0.868 1011 Q CB -0.518 28.226 28.738 0.010 0.000 0.946 1011 Q HN 0.620 nan 8.270 nan 0.000 0.418 1012 R N 0.164 120.659 120.500 -0.009 0.000 2.112 1012 R HA -0.192 4.148 4.340 -0.000 0.000 0.242 1012 R C 2.023 178.310 176.300 -0.021 0.000 1.137 1012 R CA 1.757 57.842 56.100 -0.025 0.000 0.944 1012 R CB -0.505 29.769 30.300 -0.044 0.000 0.857 1012 R HN 0.518 nan 8.270 nan 0.000 0.435 1013 D N 0.381 120.770 120.400 -0.018 0.000 2.251 1013 D HA -0.188 4.451 4.640 -0.000 0.000 0.215 1013 D C 0.690 176.996 176.300 0.011 0.000 1.047 1013 D CA 1.598 55.592 54.000 -0.011 0.000 0.920 1013 D CB -0.427 40.366 40.800 -0.012 0.000 1.186 1013 D HN 0.281 nan 8.370 nan 0.000 0.482 1014 A N 0.318 123.154 122.820 0.026 0.000 3.110 1014 A HA 0.237 4.557 4.320 -0.000 0.000 0.265 1014 A C 0.726 178.357 177.584 0.079 0.000 1.962 1014 A CA 0.230 52.295 52.037 0.047 0.000 1.493 1014 A CB -0.424 18.610 19.000 0.055 0.000 0.941 1014 A HN 0.194 nan 8.150 nan 0.000 0.610 1015 V N -1.041 118.920 119.914 0.079 0.000 4.738 1015 V HA -0.123 3.996 4.120 -0.000 0.000 0.138 1015 V C 2.122 178.291 176.094 0.125 0.000 1.312 1015 V CA 1.052 63.433 62.300 0.135 0.000 1.018 1015 V CB -0.982 30.899 31.823 0.097 0.000 1.139 1015 V HN 0.565 nan 8.190 nan 0.000 0.640 1016 T N 2.125 116.695 114.554 0.026 0.000 2.202 1016 T HA -0.434 3.916 4.350 -0.000 0.000 0.191 1016 T C 1.630 176.317 174.700 -0.021 0.000 1.646 1016 T CA 2.922 64.987 62.100 -0.058 0.000 0.997 1016 T CB -0.905 67.885 68.868 -0.130 0.000 0.802 1016 T HN 0.319 nan 8.240 nan 0.000 0.437 1017 L N 0.547 121.792 121.223 0.036 0.000 2.054 1017 L HA -0.151 4.189 4.340 -0.000 0.000 0.220 1017 L C 2.037 178.983 176.870 0.126 0.000 1.081 1017 L CA 2.124 57.006 54.840 0.069 0.000 0.780 1017 L CB -1.167 40.939 42.059 0.079 0.000 0.893 1017 L HN 0.390 nan 8.230 nan 0.000 0.438 1018 F N -0.025 119.943 119.950 0.030 0.000 2.031 1018 F HA -0.254 4.273 4.527 -0.000 0.000 0.295 1018 F C 2.648 178.456 175.800 0.013 0.000 1.133 1018 F CA 1.753 59.787 58.000 0.056 0.000 1.188 1018 F CB -1.206 37.863 39.000 0.114 0.000 0.974 1018 F HN 0.249 nan 8.300 nan 0.000 0.473 1019 C N 0.372 119.576 119.300 -0.161 0.000 2.382 1019 C HA -0.336 4.123 4.460 -0.000 0.000 0.274 1019 C C 3.077 177.907 174.990 -0.267 0.000 1.180 1019 C CA 1.188 60.033 59.018 -0.288 0.000 1.799 1019 C CB -2.129 25.518 27.740 -0.156 0.000 2.094 1019 C HN 0.723 nan 8.230 nan 0.000 0.468 1020 C N -0.127 119.065 119.300 -0.180 0.000 2.446 1020 C HA -0.084 4.376 4.460 -0.000 0.000 0.277 1020 C C 2.532 177.454 174.990 -0.114 0.000 1.275 1020 C CA 0.970 59.906 59.018 -0.137 0.000 1.727 1020 C CB -1.626 26.055 27.740 -0.098 0.000 2.010 1020 C HN 0.670 nan 8.230 nan 0.000 0.486 1021 L N 1.082 122.233 121.223 -0.119 0.000 2.046 1021 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 1021 L C 2.311 179.086 176.870 -0.158 0.000 1.077 1021 L CA 1.707 56.504 54.840 -0.072 0.000 0.747 1021 L CB -0.917 41.141 42.059 -0.002 0.000 0.896 1021 L HN 0.277 nan 8.230 nan 0.000 0.432 1022 L N -0.050 120.941 121.223 -0.386 0.000 1.989 1022 L HA -0.224 4.116 4.340 -0.000 0.000 0.211 1022 L C 2.700 179.483 176.870 -0.145 0.000 1.071 1022 L CA 1.915 56.533 54.840 -0.369 0.000 0.749 1022 L CB -0.696 41.019 42.059 -0.573 0.000 0.890 1022 L HN 0.279 nan 8.230 nan 0.000 0.431 1023 R N -1.012 119.416 120.500 -0.121 0.000 2.070 1023 R HA -0.163 4.176 4.340 -0.000 0.000 0.233 1023 R C 2.482 178.814 176.300 0.053 0.000 1.137 1023 R CA 1.478 57.558 56.100 -0.033 0.000 0.945 1023 R CB -0.979 29.285 30.300 -0.060 0.000 0.845 1023 R HN 0.446 nan 8.270 nan 0.000 0.430 1024 S N 0.272 116.001 115.700 0.048 0.000 2.400 1024 S HA -0.155 4.314 4.470 -0.000 0.000 0.234 1024 S C 1.481 176.242 174.600 0.267 0.000 1.049 1024 S CA 1.439 59.746 58.200 0.178 0.000 1.039 1024 S CB -0.005 63.264 63.200 0.116 0.000 0.856 1024 S HN 0.211 nan 8.310 nan 0.000 0.465 1025 R N 0.055 120.660 120.500 0.175 0.000 2.362 1025 R HA 0.374 4.714 4.340 -0.000 0.000 0.227 1025 R C 0.357 176.822 176.300 0.274 0.000 0.905 1025 R CA 0.104 56.350 56.100 0.243 0.000 1.067 1025 R CB -0.295 30.120 30.300 0.192 0.000 1.078 1025 R HN 0.412 nan 8.270 nan 0.000 0.516 1026 L N 0.459 121.796 121.223 0.190 0.000 3.288 1026 L HA 0.471 4.811 4.340 -0.000 0.000 0.293 1026 L C 0.062 177.031 176.870 0.166 0.000 1.294 1026 L CA -0.543 54.428 54.840 0.219 0.000 1.006 1026 L CB 0.875 43.042 42.059 0.180 0.000 1.407 1026 L HN -0.103 nan 8.230 nan 0.000 0.592 1027 A N -0.251 122.646 122.820 0.129 0.000 2.354 1027 A HA 0.417 4.736 4.320 -0.000 0.000 0.269 1027 A C 1.394 178.987 177.584 0.016 0.000 1.109 1027 A CA -0.034 52.064 52.037 0.101 0.000 0.800 1027 A CB 0.532 19.645 19.000 0.190 0.000 1.045 1027 A HN 0.318 nan 8.150 nan 0.000 0.489 1028 T N 1.951 116.505 114.554 0.001 0.000 2.624 1028 T HA -0.203 4.147 4.350 -0.000 0.000 0.268 1028 T C 2.122 176.760 174.700 -0.102 0.000 1.041 1028 T CA 1.659 63.726 62.100 -0.055 0.000 1.159 1028 T CB -0.248 68.592 68.868 -0.048 0.000 0.863 1028 T HN 0.625 nan 8.240 nan 0.000 0.434 1029 R N 1.058 121.491 120.500 -0.111 0.000 2.113 1029 R HA -0.073 4.267 4.340 -0.000 0.000 0.244 1029 R C 2.598 178.743 176.300 -0.258 0.000 1.142 1029 R CA 1.692 57.688 56.100 -0.173 0.000 0.953 1029 R CB -0.456 29.728 30.300 -0.193 0.000 0.860 1029 R HN 0.494 nan 8.270 nan 0.000 0.438 1030 R N -0.573 119.725 120.500 -0.338 0.000 2.057 1030 R HA -0.021 4.319 4.340 -0.000 0.000 0.229 1030 R C 2.294 178.219 176.300 -0.625 0.000 1.136 1030 R CA 1.248 57.041 56.100 -0.511 0.000 0.952 1030 R CB -0.523 29.465 30.300 -0.520 0.000 0.848 1030 R HN -0.000 nan 8.270 nan 0.000 0.430 1031 V N 1.497 121.206 119.914 -0.342 0.000 2.660 1031 V HA -0.220 3.900 4.120 -0.000 0.000 0.257 1031 V C 1.902 177.939 176.094 -0.095 0.000 1.088 1031 V CA 1.666 63.904 62.300 -0.103 0.000 1.106 1031 V CB -0.417 31.454 31.823 0.081 0.000 0.686 1031 V HN 0.293 nan 8.190 nan 0.000 0.481 1032 L N -1.845 119.284 121.223 -0.158 0.000 2.526 1032 L HA 0.108 4.447 4.340 -0.000 0.000 0.210 1032 L C 2.316 179.126 176.870 -0.100 0.000 1.048 1032 L CA 0.657 55.434 54.840 -0.104 0.000 0.852 1032 L CB -0.332 41.665 42.059 -0.103 0.000 1.128 1032 L HN 0.150 nan 8.230 nan 0.000 0.482 1033 Q N 0.304 120.014 119.800 -0.150 0.000 2.212 1033 Q HA -0.090 4.250 4.340 -0.000 0.000 0.199 1033 Q C 1.685 177.602 176.000 -0.138 0.000 0.950 1033 Q CA 1.037 56.763 55.803 -0.127 0.000 0.863 1033 Q CB 0.510 29.163 28.738 -0.143 0.000 0.944 1033 Q HN 0.483 nan 8.270 nan 0.000 0.465 1034 E N -0.419 119.627 120.200 -0.255 0.000 2.035 1034 E HA -0.072 4.278 4.350 -0.000 0.000 0.191 1034 E C -0.251 176.309 176.600 -0.067 0.000 0.966 1034 E CA 0.542 56.792 56.400 -0.249 0.000 0.823 1034 E CB 0.171 29.585 29.700 -0.476 0.000 0.791 1034 E HN 0.330 nan 8.360 nan 0.000 0.459 1035 Y N 0.612 120.941 120.300 0.048 0.000 2.960 1035 Y HA 0.397 4.947 4.550 -0.000 0.000 0.343 1035 Y C -0.491 175.445 175.900 0.059 0.000 1.106 1035 Y CA -1.074 57.074 58.100 0.081 0.000 1.221 1035 Y CB 0.050 38.557 38.460 0.079 0.000 1.232 1035 Y HN -0.279 nan 8.280 nan 0.000 0.577 1036 R N 3.094 123.693 120.500 0.165 0.000 4.314 1036 R HA -0.064 4.275 4.340 -0.000 0.000 0.237 1036 R C -0.450 175.900 176.300 0.083 0.000 0.670 1036 R CA 0.453 56.607 56.100 0.090 0.000 0.943 1036 R CB -0.724 29.621 30.300 0.075 0.000 0.942 1036 R HN 0.747 nan 8.270 nan 0.000 0.334 1037 L N 2.100 123.384 121.223 0.101 0.000 2.326 1037 L HA 0.138 4.478 4.340 -0.000 0.000 0.278 1037 L C 1.562 178.429 176.870 -0.005 0.000 1.092 1037 L CA -0.337 54.545 54.840 0.071 0.000 0.810 1037 L CB 1.054 43.224 42.059 0.185 0.000 1.153 1037 L HN 0.461 nan 8.230 nan 0.000 0.439 1038 T N -0.711 113.804 114.554 -0.065 0.000 2.729 1038 T HA 0.078 4.428 4.350 -0.000 0.000 0.298 1038 T C 0.998 175.667 174.700 -0.051 0.000 1.013 1038 T CA -0.494 61.564 62.100 -0.070 0.000 0.957 1038 T CB 1.165 69.974 68.868 -0.097 0.000 1.130 1038 T HN 0.568 nan 8.240 nan 0.000 0.526 1039 K N 0.015 120.393 120.400 -0.037 0.000 2.057 1039 K HA -0.112 4.207 4.320 -0.000 0.000 0.206 1039 K C 2.417 179.038 176.600 0.035 0.000 1.050 1039 K CA 1.909 58.197 56.287 0.003 0.000 0.935 1039 K CB -0.822 31.679 32.500 0.002 0.000 0.715 1039 K HN 0.779 nan 8.250 nan 0.000 0.439 1040 Q N -0.121 119.658 119.800 -0.036 0.000 1.975 1040 Q HA -0.193 4.147 4.340 -0.000 0.000 0.205 1040 Q C 1.933 177.809 176.000 -0.207 0.000 0.990 1040 Q CA 2.226 57.987 55.803 -0.071 0.000 0.845 1040 Q CB -0.511 28.180 28.738 -0.079 0.000 0.913 1040 Q HN 0.365 nan 8.270 nan 0.000 0.420 1041 A N 0.695 123.182 122.820 -0.556 0.000 1.870 1041 A HA -0.292 4.027 4.320 -0.000 0.000 0.219 1041 A C 1.937 179.503 177.584 -0.029 0.000 1.224 1041 A CA 1.977 53.628 52.037 -0.643 0.000 0.650 1041 A CB -1.552 17.144 19.000 -0.507 0.000 0.836 1041 A HN 0.661 nan 8.150 nan 0.000 0.454 1042 F N 1.034 120.935 119.950 -0.082 0.000 2.063 1042 F HA -0.279 4.248 4.527 -0.000 0.000 0.298 1042 F C 1.868 177.702 175.800 0.057 0.000 1.105 1042 F CA 2.514 60.522 58.000 0.013 0.000 1.215 1042 F CB -0.384 38.617 39.000 0.002 0.000 0.972 1042 F HN 0.298 nan 8.300 nan 0.000 0.483 1043 D N -1.502 118.998 120.400 0.166 0.000 2.263 1043 D HA -0.210 4.429 4.640 -0.000 0.000 0.208 1043 D C 1.702 178.068 176.300 0.110 0.000 0.971 1043 D CA 1.051 55.108 54.000 0.095 0.000 0.867 1043 D CB -0.486 40.398 40.800 0.140 0.000 0.929 1043 D HN 0.553 nan 8.370 nan 0.000 0.492 1044 W N 0.588 121.856 121.300 -0.053 0.000 2.560 1044 W HA -0.077 4.583 4.660 -0.000 0.000 0.303 1044 W C 2.112 178.604 176.519 -0.046 0.000 1.151 1044 W CA 0.594 57.943 57.345 0.007 0.000 1.426 1044 W CB -0.479 29.054 29.460 0.120 0.000 1.135 1044 W HN -0.282 nan 8.180 nan 0.000 0.522 1045 V N 1.907 121.920 119.914 0.166 0.000 2.250 1045 V HA -0.390 3.730 4.120 -0.000 0.000 0.250 1045 V C 2.363 178.315 176.094 -0.236 0.000 1.060 1045 V CA 2.253 64.505 62.300 -0.079 0.000 1.030 1045 V CB -1.445 30.366 31.823 -0.020 0.000 0.643 1045 V HN 0.264 nan 8.190 nan 0.000 0.445 1046 L N 0.905 121.946 121.223 -0.303 0.000 1.951 1046 L HA -0.277 4.062 4.340 -0.000 0.000 0.222 1046 L C 2.848 179.594 176.870 -0.207 0.000 1.078 1046 L CA 2.468 57.122 54.840 -0.310 0.000 0.778 1046 L CB -1.053 40.773 42.059 -0.387 0.000 0.893 1046 L HN 0.595 nan 8.230 nan 0.000 0.436 1047 S N -0.465 115.130 115.700 -0.175 0.000 2.392 1047 S HA -0.259 4.210 4.470 -0.000 0.000 0.232 1047 S C 1.744 176.230 174.600 -0.191 0.000 1.041 1047 S CA 1.859 59.972 58.200 -0.145 0.000 1.026 1047 S CB -0.680 62.459 63.200 -0.101 0.000 0.845 1047 S HN 0.449 nan 8.310 nan 0.000 0.465 1048 N N 1.522 120.039 118.700 -0.304 0.000 2.173 1048 N HA 0.127 4.867 4.740 -0.000 0.000 0.184 1048 N C 1.901 177.306 175.510 -0.175 0.000 1.025 1048 N CA 1.457 54.312 53.050 -0.326 0.000 0.852 1048 N CB -0.368 37.768 38.487 -0.586 0.000 0.998 1048 N HN 0.452 nan 8.380 nan 0.000 0.427 1049 I N 1.842 122.328 120.570 -0.140 0.000 2.113 1049 I HA -0.342 3.828 4.170 -0.000 0.000 0.242 1049 I C 2.614 178.750 176.117 0.032 0.000 1.064 1049 I CA 1.508 62.802 61.300 -0.011 0.000 1.320 1049 I CB -0.483 37.519 38.000 0.004 0.000 1.028 1049 I HN 0.294 nan 8.210 nan 0.000 0.406 1050 E N 1.595 121.775 120.200 -0.033 0.000 2.033 1050 E HA -0.287 4.063 4.350 -0.000 0.000 0.199 1050 E C 2.212 178.827 176.600 0.025 0.000 1.011 1050 E CA 1.850 58.233 56.400 -0.028 0.000 0.815 1050 E CB -0.197 29.462 29.700 -0.068 0.000 0.755 1050 E HN 0.450 nan 8.360 nan 0.000 0.451 1051 A N 0.516 123.321 122.820 -0.025 0.000 1.851 1051 A HA -0.304 4.016 4.320 -0.000 0.000 0.216 1051 A C 2.259 179.836 177.584 -0.012 0.000 1.195 1051 A CA 2.033 54.056 52.037 -0.025 0.000 0.622 1051 A CB -1.073 17.886 19.000 -0.068 0.000 0.831 1051 A HN 0.466 nan 8.150 nan 0.000 0.444 1052 Q N -1.329 118.453 119.800 -0.031 0.000 2.012 1052 Q HA -0.258 4.081 4.340 -0.000 0.000 0.211 1052 Q C 1.786 177.760 176.000 -0.043 0.000 1.009 1052 Q CA 2.641 58.417 55.803 -0.044 0.000 0.866 1052 Q CB -0.500 28.219 28.738 -0.031 0.000 0.945 1052 Q HN 0.659 nan 8.270 nan 0.000 0.414 1053 F N 0.366 120.229 119.950 -0.144 0.000 2.039 1053 F HA -0.342 4.184 4.527 -0.000 0.000 0.296 1053 F C 1.697 177.391 175.800 -0.176 0.000 1.119 1053 F CA 2.122 60.006 58.000 -0.192 0.000 1.211 1053 F CB -0.458 38.440 39.000 -0.170 0.000 0.956 1053 F HN 0.143 nan 8.300 nan 0.000 0.496 1054 L N -0.041 121.291 121.223 0.183 0.000 2.197 1054 L HA -0.274 4.066 4.340 -0.000 0.000 0.215 1054 L C 2.480 179.254 176.870 -0.160 0.000 1.095 1054 L CA 1.697 56.561 54.840 0.040 0.000 0.764 1054 L CB -0.669 41.439 42.059 0.081 0.000 0.897 1054 L HN 0.189 nan 8.230 nan 0.000 0.436 1055 R N -1.384 118.991 120.500 -0.208 0.000 2.127 1055 R HA 0.035 4.374 4.340 -0.000 0.000 0.217 1055 R C 2.222 178.205 176.300 -0.528 0.000 1.074 1055 R CA 0.804 56.736 56.100 -0.280 0.000 0.991 1055 R CB -0.134 30.010 30.300 -0.259 0.000 0.895 1055 R HN 0.146 nan 8.270 nan 0.000 0.450 1056 S N 0.506 115.867 115.700 -0.566 0.000 2.603 1056 S HA 0.040 4.509 4.470 -0.000 0.000 0.229 1056 S C 0.681 175.077 174.600 -0.340 0.000 0.972 1056 S CA 0.148 58.017 58.200 -0.551 0.000 0.935 1056 S CB 0.134 63.097 63.200 -0.396 0.000 0.769 1056 S HN -0.026 nan 8.310 nan 0.000 0.536 1057 V N 2.127 121.813 119.914 -0.379 0.000 2.881 1057 V HA 0.155 4.275 4.120 -0.000 0.000 0.303 1057 V C 0.517 176.543 176.094 -0.113 0.000 1.070 1057 V CA -0.472 61.663 62.300 -0.276 0.000 1.074 1057 V CB 1.446 33.100 31.823 -0.281 0.000 1.012 1057 V HN 0.062 nan 8.190 nan 0.000 0.482 1058 V N 4.129 124.009 119.914 -0.057 0.000 2.843 1058 V HA 0.106 4.225 4.120 -0.000 0.000 0.305 1058 V C 0.332 176.389 176.094 -0.061 0.000 1.065 1058 V CA -0.324 61.962 62.300 -0.023 0.000 1.116 1058 V CB 0.276 32.032 31.823 -0.112 0.000 0.968 1058 V HN 0.759 nan 8.190 nan 0.000 0.487 1059 H N 3.681 122.694 119.070 -0.095 0.000 2.517 1059 H HA 0.278 4.833 4.556 -0.000 0.000 0.317 1059 H C -2.353 172.901 175.328 -0.124 0.000 1.080 1059 H CA -1.814 54.196 56.048 -0.064 0.000 1.301 1059 H CB 1.677 31.413 29.762 -0.044 0.000 1.425 1059 H HN 0.445 nan 8.280 nan 0.000 0.471 1060 P HA 0.063 nan 4.420 nan 0.000 0.271 1060 P C 0.818 177.917 177.300 -0.335 0.000 1.226 1060 P CA 0.742 63.692 63.100 -0.249 0.000 0.765 1060 P CB 0.973 32.469 31.700 -0.340 0.000 0.835 1061 G N 2.328 110.901 108.800 -0.377 0.000 3.465 1061 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.196 1061 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.196 1061 G C -0.055 174.682 174.900 -0.273 0.000 1.170 1061 G CA -0.555 44.337 45.100 -0.347 0.000 0.887 1061 G HN 0.453 nan 8.290 nan 0.000 0.444 1062 E N 2.275 122.343 120.200 -0.220 0.000 3.288 1062 E HA -0.039 4.310 4.350 -0.000 0.000 0.237 1062 E C 0.641 177.109 176.600 -0.220 0.000 0.958 1062 E CA 0.501 56.773 56.400 -0.215 0.000 0.947 1062 E CB -0.007 29.538 29.700 -0.258 0.000 0.896 1062 E HN 0.291 nan 8.360 nan 0.000 0.566 1063 M N 4.879 124.373 119.600 -0.177 0.000 3.445 1063 M HA -0.035 4.444 4.480 -0.000 0.000 0.224 1063 M C 1.352 177.589 176.300 -0.105 0.000 1.551 1063 M CA -0.043 55.171 55.300 -0.143 0.000 1.671 1063 M CB -0.748 31.778 32.600 -0.124 0.000 1.159 1063 M HN 0.217 nan 8.290 nan 0.000 0.547 1064 V N 1.708 121.555 119.914 -0.111 0.000 2.282 1064 V HA -0.273 3.847 4.120 -0.000 0.000 0.249 1064 V C 2.282 178.413 176.094 0.062 0.000 1.057 1064 V CA 2.544 64.829 62.300 -0.025 0.000 1.032 1064 V CB -1.135 30.682 31.823 -0.011 0.000 0.645 1064 V HN 0.836 nan 8.190 nan 0.000 0.447 1065 G N -0.318 108.494 108.800 0.019 0.000 2.480 1065 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.216 1065 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.216 1065 G C 1.664 176.551 174.900 -0.021 0.000 1.200 1065 G CA 1.272 46.375 45.100 0.004 0.000 0.782 1065 G HN 0.393 nan 8.290 nan 0.000 0.554 1066 V N 0.949 120.835 119.914 -0.046 0.000 2.453 1066 V HA -0.160 3.960 4.120 -0.000 0.000 0.252 1066 V C 2.650 178.716 176.094 -0.045 0.000 1.068 1066 V CA 1.524 63.787 62.300 -0.062 0.000 1.070 1066 V CB -0.599 31.184 31.823 -0.067 0.000 0.664 1066 V HN 0.325 nan 8.190 nan 0.000 0.461 1067 L N 1.308 122.523 121.223 -0.013 0.000 1.948 1067 L HA -0.060 4.280 4.340 -0.000 0.000 0.212 1067 L C 2.547 179.422 176.870 0.009 0.000 1.074 1067 L CA 2.614 57.459 54.840 0.009 0.000 0.753 1067 L CB -1.627 40.476 42.059 0.074 0.000 0.888 1067 L HN 0.239 nan 8.230 nan 0.000 0.432 1068 A N -0.377 122.550 122.820 0.179 0.000 1.948 1068 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 1068 A C 2.435 180.012 177.584 -0.011 0.000 1.177 1068 A CA 2.283 54.486 52.037 0.276 0.000 0.636 1068 A CB -1.192 18.041 19.000 0.389 0.000 0.815 1068 A HN 0.681 nan 8.150 nan 0.000 0.449 1069 A N -0.585 122.214 122.820 -0.035 0.000 1.873 1069 A HA -0.277 4.043 4.320 -0.000 0.000 0.218 1069 A C 2.165 179.683 177.584 -0.109 0.000 1.193 1069 A CA 1.897 53.879 52.037 -0.090 0.000 0.629 1069 A CB -0.649 18.284 19.000 -0.111 0.000 0.826 1069 A HN 0.690 nan 8.150 nan 0.000 0.447 1070 Q N -0.640 119.098 119.800 -0.104 0.000 1.994 1070 Q HA -0.090 4.249 4.340 -0.000 0.000 0.198 1070 Q C 2.413 178.334 176.000 -0.133 0.000 0.976 1070 Q CA 1.481 57.226 55.803 -0.097 0.000 0.828 1070 Q CB -0.331 28.374 28.738 -0.055 0.000 0.894 1070 Q HN 0.608 nan 8.270 nan 0.000 0.432 1071 S N 0.915 116.483 115.700 -0.220 0.000 2.421 1071 S HA -0.212 4.258 4.470 -0.000 0.000 0.239 1071 S C 1.843 176.281 174.600 -0.269 0.000 1.054 1071 S CA 1.249 59.228 58.200 -0.368 0.000 1.035 1071 S CB -0.255 62.332 63.200 -1.022 0.000 0.840 1071 S HN 0.286 nan 8.310 nan 0.000 0.475 1072 I N 0.245 120.696 120.570 -0.199 0.000 2.385 1072 I HA 0.001 4.171 4.170 -0.000 0.000 0.244 1072 I C 2.699 178.744 176.117 -0.121 0.000 1.089 1072 I CA 0.931 62.148 61.300 -0.137 0.000 1.410 1072 I CB -0.788 37.150 38.000 -0.103 0.000 1.117 1072 I HN 0.382 nan 8.210 nan 0.000 0.429 1073 G N 0.238 108.968 108.800 -0.117 0.000 2.422 1073 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.218 1073 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.218 1073 G C 1.523 176.357 174.900 -0.109 0.000 1.140 1073 G CA 0.330 45.366 45.100 -0.106 0.000 0.775 1073 G HN 0.242 nan 8.290 nan 0.000 0.545 1074 E N 1.052 121.176 120.200 -0.127 0.000 2.012 1074 E HA -0.109 4.241 4.350 -0.000 0.000 0.197 1074 E C -0.311 176.204 176.600 -0.142 0.000 1.007 1074 E CA 1.312 57.612 56.400 -0.167 0.000 0.816 1074 E CB -0.919 28.659 29.700 -0.203 0.000 0.762 1074 E HN 0.350 nan 8.360 nan 0.000 0.451 1075 P HA -0.007 nan 4.420 nan 0.000 0.269 1075 P C -0.037 177.212 177.300 -0.084 0.000 1.376 1075 P CA 0.732 63.777 63.100 -0.093 0.000 0.775 1075 P CB 0.092 31.740 31.700 -0.086 0.000 1.345 1076 A N -0.860 121.908 122.820 -0.086 0.000 2.074 1076 A HA 0.107 4.426 4.320 -0.000 0.000 0.200 1076 A C 2.013 179.561 177.584 -0.060 0.000 1.335 1076 A CA 0.602 52.596 52.037 -0.071 0.000 0.922 1076 A CB -0.804 18.152 19.000 -0.074 0.000 0.972 1076 A HN 0.090 nan 8.150 nan 0.000 0.475 1077 T N 0.787 115.299 114.554 -0.070 0.000 3.007 1077 T HA -0.079 4.271 4.350 -0.000 0.000 0.270 1077 T C 1.339 176.007 174.700 -0.053 0.000 1.107 1077 T CA 1.192 63.256 62.100 -0.060 0.000 1.118 1077 T CB -0.158 68.663 68.868 -0.078 0.000 0.889 1077 T HN 0.493 nan 8.240 nan 0.000 0.506 1078 Q N 0.126 119.891 119.800 -0.058 0.000 2.212 1078 Q HA 0.310 4.650 4.340 -0.000 0.000 0.213 1078 Q C 0.003 175.985 176.000 -0.030 0.000 0.874 1078 Q CA 0.061 55.837 55.803 -0.045 0.000 0.965 1078 Q CB 0.058 28.765 28.738 -0.051 0.000 1.074 1078 Q HN 0.550 nan 8.270 nan 0.000 0.473 1079 M N -0.438 119.145 119.600 -0.027 0.000 2.821 1079 M HA 0.382 4.862 4.480 -0.000 0.000 0.304 1079 M C -0.126 176.173 176.300 -0.002 0.000 1.233 1079 M CA -0.586 54.704 55.300 -0.016 0.000 0.851 1079 M CB 1.955 34.538 32.600 -0.028 0.000 1.723 1079 M HN -0.205 nan 8.290 nan 0.000 0.493 1080 T N 1.289 115.851 114.554 0.014 0.000 2.867 1080 T HA 0.264 4.613 4.350 -0.000 0.000 0.282 1080 T C 0.685 175.400 174.700 0.025 0.000 1.000 1080 T CA -0.688 61.432 62.100 0.033 0.000 1.042 1080 T CB 1.587 70.498 68.868 0.072 0.000 0.973 1080 T HN 0.567 nan 8.240 nan 0.000 0.465 1081 L N 2.285 123.526 121.223 0.030 0.000 2.265 1081 L HA 0.044 4.384 4.340 -0.000 0.000 0.215 1081 L C 0.757 177.630 176.870 0.005 0.000 1.117 1081 L CA 1.281 56.131 54.840 0.016 0.000 0.782 1081 L CB -0.614 41.461 42.059 0.027 0.000 0.914 1081 L HN 0.466 nan 8.230 nan 0.000 0.441 1082 N N -0.096 118.642 118.700 0.064 0.000 2.441 1082 N HA 0.001 4.740 4.740 -0.000 0.000 0.251 1082 N C 0.378 175.802 175.510 -0.142 0.000 1.242 1082 N CA 0.791 53.883 53.050 0.070 0.000 0.898 1082 N CB 0.818 39.544 38.487 0.398 0.000 1.100 1082 N HN 0.103 nan 8.380 nan 0.000 0.443 1083 T N 1.216 115.458 114.554 -0.520 0.000 3.228 1083 T HA 0.271 4.621 4.350 -0.000 0.000 0.278 1083 T C 0.119 174.502 174.700 -0.528 0.000 1.014 1083 T CA -0.206 61.628 62.100 -0.445 0.000 0.904 1083 T CB -0.184 68.430 68.868 -0.422 0.000 1.110 1083 T HN 0.283 nan 8.240 nan 0.000 0.541 1084 F N 0.939 120.767 119.950 -0.203 0.000 2.355 1084 F HA 0.479 5.006 4.527 -0.000 0.000 0.340 1084 F C 1.350 176.969 175.800 -0.301 0.000 1.067 1084 F CA -1.219 56.557 58.000 -0.372 0.000 1.116 1084 F CB 0.002 38.548 39.000 -0.756 0.000 1.582 1084 F HN 0.147 nan 8.300 nan 0.000 0.512 1095 T N 1.097 115.600 114.554 -0.085 0.000 2.738 1095 T HA 0.394 4.744 4.350 -0.000 0.000 0.277 1095 T C 0.433 175.077 174.700 -0.093 0.000 0.981 1095 T CA 0.644 62.683 62.100 -0.102 0.000 1.211 1095 T CB 0.156 68.971 68.868 -0.088 0.000 0.932 1095 T HN 1.418 nan 8.240 nan 0.000 0.522 1096 S N 2.523 118.162 115.700 -0.102 0.000 2.971 1096 S HA 0.924 5.393 4.470 -0.000 0.000 0.320 1096 S C 0.877 175.424 174.600 -0.088 0.000 1.111 1096 S CA -0.329 57.818 58.200 -0.088 0.000 0.870 1096 S CB 1.016 64.172 63.200 -0.074 0.000 1.331 1096 S HN 1.871 nan 8.310 nan 0.000 0.635 1097 G N 0.304 109.058 108.800 -0.077 0.000 2.574 1097 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.295 1097 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.295 1097 G C 0.861 175.722 174.900 -0.065 0.000 1.300 1097 G CA 0.489 45.548 45.100 -0.068 0.000 0.944 1097 G HN 1.553 nan 8.290 nan 0.000 0.551 1098 V N 2.996 122.879 119.914 -0.051 0.000 2.233 1098 V HA -0.266 3.854 4.120 -0.000 0.000 0.256 1098 V C 1.039 177.109 176.094 -0.039 0.000 1.069 1098 V CA 3.712 65.988 62.300 -0.040 0.000 1.054 1098 V CB -1.658 30.151 31.823 -0.024 0.000 0.664 1098 V HN 0.845 nan 8.190 nan 0.000 0.453 1099 P HA -0.204 nan 4.420 nan 0.000 0.218 1099 P C 1.522 178.796 177.300 -0.043 0.000 1.148 1099 P CA 1.763 64.840 63.100 -0.039 0.000 0.822 1099 P CB -0.083 31.582 31.700 -0.058 0.000 0.784 1100 R N 0.572 121.035 120.500 -0.062 0.000 2.062 1100 R HA -0.103 4.237 4.340 -0.000 0.000 0.231 1100 R C 2.337 178.594 176.300 -0.071 0.000 1.136 1100 R CA 1.174 57.230 56.100 -0.072 0.000 0.948 1100 R CB -1.932 28.315 30.300 -0.087 0.000 0.845 1100 R HN 0.076 nan 8.270 nan 0.000 0.430 1101 L N 1.400 122.580 121.223 -0.071 0.000 2.013 1101 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 1101 L C 2.090 178.935 176.870 -0.042 0.000 1.073 1101 L CA 2.216 57.014 54.840 -0.070 0.000 0.753 1101 L CB -1.005 41.013 42.059 -0.068 0.000 0.890 1101 L HN 0.353 nan 8.230 nan 0.000 0.432 1102 K N -0.355 120.030 120.400 -0.024 0.000 1.977 1102 K HA -0.302 4.017 4.320 -0.000 0.000 0.218 1102 K C 2.107 178.720 176.600 0.022 0.000 1.051 1102 K CA 2.131 58.422 56.287 0.007 0.000 0.953 1102 K CB -0.424 32.088 32.500 0.019 0.000 0.727 1102 K HN 0.482 nan 8.250 nan 0.000 0.445 1103 E N 0.298 120.504 120.200 0.011 0.000 2.149 1103 E HA -0.276 4.074 4.350 -0.000 0.000 0.215 1103 E C 1.968 178.600 176.600 0.054 0.000 1.055 1103 E CA 2.441 58.856 56.400 0.025 0.000 0.870 1103 E CB -0.192 29.502 29.700 -0.011 0.000 0.764 1103 E HN 0.392 nan 8.360 nan 0.000 0.463 1104 I N 0.215 120.782 120.570 -0.005 0.000 2.113 1104 I HA -0.299 3.871 4.170 -0.000 0.000 0.238 1104 I C 2.479 178.678 176.117 0.135 0.000 1.070 1104 I CA 1.014 62.313 61.300 -0.002 0.000 1.332 1104 I CB -0.365 37.542 38.000 -0.154 0.000 1.044 1104 I HN 0.186 nan 8.210 nan 0.000 0.402 1105 L N 0.966 122.230 121.223 0.068 0.000 2.263 1105 L HA -0.232 4.107 4.340 -0.000 0.000 0.216 1105 L C 1.975 178.921 176.870 0.127 0.000 1.111 1105 L CA 1.089 55.978 54.840 0.081 0.000 0.773 1105 L CB -0.698 41.371 42.059 0.017 0.000 0.906 1105 L HN 0.395 nan 8.230 nan 0.000 0.439 1106 N N -0.641 118.139 118.700 0.134 0.000 2.446 1106 N HA -0.008 4.731 4.740 -0.000 0.000 0.179 1106 N C 0.533 176.143 175.510 0.167 0.000 1.054 1106 N CA 0.337 53.475 53.050 0.147 0.000 0.905 1106 N CB 0.484 39.049 38.487 0.129 0.000 0.973 1106 N HN 0.001 nan 8.380 nan 0.000 0.448 1107 V N 0.943 120.999 119.914 0.237 0.000 6.016 1107 V HA -0.259 3.861 4.120 -0.000 0.000 0.265 1107 V C 0.474 176.664 176.094 0.160 0.000 0.621 1107 V CA 0.248 62.691 62.300 0.239 0.000 0.592 1107 V CB -2.443 29.423 31.823 0.072 0.000 0.298 1107 V HN 0.434 nan 8.190 nan 0.000 0.615 1108 A N 2.135 125.082 122.820 0.212 0.000 2.440 1108 A HA 0.542 4.862 4.320 -0.000 0.000 0.251 1108 A C 1.000 178.654 177.584 0.116 0.000 1.089 1108 A CA 0.510 52.630 52.037 0.138 0.000 0.779 1108 A CB 0.616 19.690 19.000 0.123 0.000 1.022 1108 A HN 0.698 nan 8.150 nan 0.000 0.492 1109 K N 1.277 121.716 120.400 0.065 0.000 2.426 1109 K HA 0.000 4.320 4.320 -0.000 0.000 0.193 1109 K C 0.046 176.671 176.600 0.043 0.000 1.028 1109 K CA 1.058 57.371 56.287 0.042 0.000 1.047 1109 K CB 0.130 32.641 32.500 0.017 0.000 0.821 1109 K HN 0.811 nan 8.250 nan 0.000 0.513 1110 N N 1.483 120.212 118.700 0.047 0.000 2.722 1110 N HA 0.053 4.793 4.740 -0.000 0.000 0.242 1110 N C -0.366 175.163 175.510 0.032 0.000 1.398 1110 N CA -0.391 52.679 53.050 0.033 0.000 0.755 1110 N CB 0.009 38.508 38.487 0.019 0.000 1.268 1110 N HN 0.042 nan 8.380 nan 0.000 0.522 1111 M N -0.578 119.045 119.600 0.040 0.000 2.240 1111 M HA 0.217 4.696 4.480 -0.000 0.000 0.317 1111 M C 0.782 177.083 176.300 0.001 0.000 1.087 1111 M CA 0.053 55.366 55.300 0.022 0.000 1.176 1111 M CB 1.156 33.768 32.600 0.020 0.000 1.439 1111 M HN 0.098 nan 8.290 nan 0.000 0.452 1112 K N 0.707 121.099 120.400 -0.013 0.000 2.002 1112 K HA -0.024 4.295 4.320 -0.000 0.000 0.209 1112 K C 0.308 176.891 176.600 -0.028 0.000 1.048 1112 K CA 1.601 57.873 56.287 -0.024 0.000 0.930 1112 K CB -0.165 32.312 32.500 -0.039 0.000 0.714 1112 K HN 0.759 nan 8.250 nan 0.000 0.438 1113 T N 3.082 117.615 114.554 -0.036 0.000 2.910 1113 T HA 0.131 4.481 4.350 -0.000 0.000 0.323 1113 T C -1.961 172.718 174.700 -0.036 0.000 1.091 1113 T CA -1.455 60.623 62.100 -0.038 0.000 0.960 1113 T CB 1.631 70.471 68.868 -0.048 0.000 1.024 1113 T HN 0.106 nan 8.240 nan 0.000 0.509 1114 P HA 0.007 nan 4.420 nan 0.000 0.213 1114 P C 0.600 177.871 177.300 -0.048 0.000 1.176 1114 P CA 0.419 63.502 63.100 -0.028 0.000 0.894 1114 P CB 0.060 31.751 31.700 -0.016 0.000 0.771 1115 S N -0.485 115.189 115.700 -0.044 0.000 3.599 1115 S HA -0.107 4.363 4.470 -0.000 0.000 0.840 1115 S C -0.481 174.072 174.600 -0.079 0.000 1.349 1115 S CA 0.550 58.718 58.200 -0.052 0.000 0.947 1115 S CB -1.103 62.068 63.200 -0.049 0.000 0.426 1115 S HN 0.486 nan 8.310 nan 0.000 0.402 1116 L N 1.076 122.255 121.223 -0.074 0.000 2.641 1116 L HA 0.751 5.091 4.340 -0.000 0.000 0.261 1116 L C -0.367 176.458 176.870 -0.075 0.000 0.926 1116 L CA -0.484 54.298 54.840 -0.097 0.000 0.917 1116 L CB 1.716 43.735 42.059 -0.067 0.000 1.361 1116 L HN 0.503 nan 8.230 nan 0.000 0.417 1117 T N 3.603 118.106 114.554 -0.084 0.000 2.771 1117 T HA 0.653 5.002 4.350 -0.000 0.000 0.291 1117 T C -0.107 174.524 174.700 -0.115 0.000 0.954 1117 T CA -0.178 61.862 62.100 -0.101 0.000 1.045 1117 T CB 1.212 70.037 68.868 -0.072 0.000 0.917 1117 T HN 0.863 nan 8.240 nan 0.000 0.484 1118 V N 1.853 121.665 119.914 -0.170 0.000 2.540 1118 V HA 0.693 4.813 4.120 -0.000 0.000 0.302 1118 V C -1.395 174.601 176.094 -0.164 0.000 1.035 1118 V CA -1.230 61.025 62.300 -0.075 0.000 0.873 1118 V CB 0.761 32.590 31.823 0.009 0.000 0.992 1118 V HN 0.724 nan 8.190 nan 0.000 0.428 1119 Y N 3.646 124.014 120.300 0.113 0.000 2.352 1119 Y HA 0.714 5.264 4.550 -0.000 0.000 0.326 1119 Y C 0.503 176.462 175.900 0.099 0.000 1.166 1119 Y CA -1.023 57.145 58.100 0.113 0.000 1.182 1119 Y CB 1.069 39.601 38.460 0.119 0.000 1.216 1119 Y HN 0.525 nan 8.280 nan 0.000 0.474 1120 L N 0.764 122.139 121.223 0.254 0.000 2.332 1120 L HA -0.012 4.327 4.340 -0.000 0.000 0.219 1120 L C 0.676 177.651 176.870 0.174 0.000 1.199 1120 L CA -0.043 54.913 54.840 0.193 0.000 0.830 1120 L CB -0.205 41.976 42.059 0.202 0.000 1.192 1120 L HN 0.641 nan 8.230 nan 0.000 0.571 1121 E N -0.307 119.985 120.200 0.153 0.000 2.283 1121 E HA 0.181 4.531 4.350 -0.000 0.000 0.267 1121 E C -1.666 174.958 176.600 0.041 0.000 1.045 1121 E CA -1.598 54.863 56.400 0.102 0.000 0.884 1121 E CB 1.132 30.898 29.700 0.110 0.000 1.106 1121 E HN 0.312 nan 8.360 nan 0.000 0.408 1122 P HA -0.312 nan 4.420 nan 0.000 0.214 1122 P C 0.835 178.083 177.300 -0.086 0.000 0.989 1122 P CA 2.023 65.100 63.100 -0.038 0.000 1.008 1122 P CB -0.247 31.424 31.700 -0.048 0.000 0.747 1123 G N 0.021 108.700 108.800 -0.201 0.000 2.768 1123 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.181 1123 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.181 1123 G C -0.154 174.603 174.900 -0.237 0.000 1.477 1123 G CA 0.598 45.505 45.100 -0.322 0.000 0.826 1123 G HN 0.456 nan 8.290 nan 0.000 0.600 1124 H N 0.982 120.081 119.070 0.049 0.000 3.158 1124 H HA 0.101 4.657 4.556 -0.000 0.000 0.227 1124 H C 1.010 176.391 175.328 0.088 0.000 0.748 1124 H CA 0.488 56.575 56.048 0.065 0.000 1.427 1124 H CB -0.628 29.171 29.762 0.061 0.000 1.434 1124 H HN 0.489 nan 8.280 nan 0.000 0.474 1125 A N 3.466 126.380 122.820 0.157 0.000 2.042 1125 A HA 0.439 4.759 4.320 -0.000 0.000 0.207 1125 A C 1.830 179.516 177.584 0.171 0.000 1.598 1125 A CA 0.429 52.550 52.037 0.140 0.000 0.818 1125 A CB -0.156 18.885 19.000 0.069 0.000 1.169 1125 A HN 0.609 nan 8.150 nan 0.000 0.548 1126 A N 0.225 123.122 122.820 0.127 0.000 2.579 1126 A HA 0.292 4.612 4.320 -0.000 0.000 0.273 1126 A C 0.038 177.792 177.584 0.283 0.000 1.363 1126 A CA 0.016 52.124 52.037 0.118 0.000 0.953 1126 A CB -0.517 18.489 19.000 0.011 0.000 1.034 1126 A HN 0.307 nan 8.150 nan 0.000 0.536 1127 D N 0.778 121.369 120.400 0.320 0.000 2.517 1127 D HA 0.075 4.714 4.640 -0.000 0.000 0.220 1127 D C 1.316 177.747 176.300 0.219 0.000 1.158 1127 D CA -0.001 54.141 54.000 0.238 0.000 0.992 1127 D CB 0.391 41.300 40.800 0.182 0.000 1.058 1127 D HN 0.578 nan 8.370 nan 0.000 0.516 1128 Q N 2.508 122.455 119.800 0.244 0.000 2.065 1128 Q HA -0.277 4.063 4.340 -0.000 0.000 0.213 1128 Q C 1.601 177.472 176.000 -0.215 0.000 1.012 1128 Q CA 2.155 57.925 55.803 -0.054 0.000 0.876 1128 Q CB -0.040 28.738 28.738 0.068 0.000 0.954 1128 Q HN 0.556 nan 8.270 nan 0.000 0.413 1129 E N -0.946 119.197 120.200 -0.096 0.000 2.268 1129 E HA -0.256 4.093 4.350 -0.000 0.000 0.195 1129 E C 1.964 178.499 176.600 -0.109 0.000 0.995 1129 E CA 1.047 57.381 56.400 -0.111 0.000 0.836 1129 E CB -0.007 29.654 29.700 -0.066 0.000 0.763 1129 E HN 0.471 nan 8.360 nan 0.000 0.491 1130 Q N 0.558 120.314 119.800 -0.073 0.000 2.167 1130 Q HA -0.081 4.259 4.340 -0.000 0.000 0.202 1130 Q C 1.716 177.671 176.000 -0.074 0.000 0.970 1130 Q CA 1.624 57.388 55.803 -0.066 0.000 0.855 1130 Q CB -0.291 28.439 28.738 -0.015 0.000 0.911 1130 Q HN 0.291 nan 8.270 nan 0.000 0.438 1131 A N 1.101 123.847 122.820 -0.123 0.000 1.835 1131 A HA -0.240 4.080 4.320 -0.000 0.000 0.215 1131 A C 1.988 179.467 177.584 -0.175 0.000 1.199 1131 A CA 1.920 53.854 52.037 -0.172 0.000 0.615 1131 A CB -0.599 18.146 19.000 -0.425 0.000 0.838 1131 A HN 0.459 nan 8.150 nan 0.000 0.444 1132 K N -0.247 120.020 120.400 -0.223 0.000 2.020 1132 K HA -0.144 4.176 4.320 -0.000 0.000 0.212 1132 K C 1.790 178.312 176.600 -0.130 0.000 1.050 1132 K CA 1.630 57.803 56.287 -0.191 0.000 0.929 1132 K CB -0.626 31.755 32.500 -0.198 0.000 0.714 1132 K HN 0.439 nan 8.250 nan 0.000 0.443 1133 L N 0.895 122.051 121.223 -0.112 0.000 2.357 1133 L HA -0.219 4.121 4.340 -0.000 0.000 0.220 1133 L C 2.086 178.917 176.870 -0.065 0.000 1.123 1133 L CA 1.069 55.858 54.840 -0.085 0.000 0.782 1133 L CB -0.409 41.600 42.059 -0.084 0.000 0.910 1133 L HN 0.274 nan 8.230 nan 0.000 0.442 1134 I N -2.165 118.368 120.570 -0.062 0.000 3.039 1134 I HA -0.085 4.085 4.170 -0.000 0.000 0.270 1134 I C 2.583 178.677 176.117 -0.039 0.000 1.150 1134 I CA 0.050 61.328 61.300 -0.037 0.000 1.448 1134 I CB -0.364 37.625 38.000 -0.018 0.000 1.197 1134 I HN 0.124 nan 8.210 nan 0.000 0.450 1135 R N 2.266 122.730 120.500 -0.060 0.000 2.143 1135 R HA -0.243 4.097 4.340 -0.000 0.000 0.239 1135 R C 2.173 178.450 176.300 -0.038 0.000 1.126 1135 R CA 2.766 58.834 56.100 -0.053 0.000 0.927 1135 R CB -0.588 29.657 30.300 -0.091 0.000 0.860 1135 R HN 0.447 nan 8.270 nan 0.000 0.433 1136 S N -0.647 115.019 115.700 -0.057 0.000 2.595 1136 S HA 0.065 4.535 4.470 -0.000 0.000 0.235 1136 S C 1.424 176.003 174.600 -0.034 0.000 0.974 1136 S CA 0.649 58.820 58.200 -0.048 0.000 0.942 1136 S CB 0.332 63.491 63.200 -0.068 0.000 0.766 1136 S HN 0.521 nan 8.310 nan 0.000 0.536 1137 A N 0.353 123.158 122.820 -0.026 0.000 2.390 1137 A HA 0.589 4.909 4.320 -0.000 0.000 0.232 1137 A C 1.504 179.088 177.584 -0.000 0.000 1.233 1137 A CA -0.114 51.914 52.037 -0.015 0.000 0.907 1137 A CB -0.079 18.911 19.000 -0.017 0.000 0.967 1137 A HN 0.578 nan 8.150 nan 0.000 0.512 1138 I N -1.624 118.948 120.570 0.003 0.000 3.739 1138 I HA 0.110 4.279 4.170 -0.000 0.000 0.272 1138 I C 0.923 177.062 176.117 0.037 0.000 1.167 1138 I CA -0.108 61.203 61.300 0.018 0.000 1.386 1138 I CB -0.180 37.827 38.000 0.011 0.000 1.490 1138 I HN 0.276 nan 8.210 nan 0.000 0.452 1139 E N 3.699 123.917 120.200 0.031 0.000 2.562 1139 E HA -0.186 4.164 4.350 -0.000 0.000 0.241 1139 E C 0.087 176.728 176.600 0.068 0.000 1.136 1139 E CA -0.038 56.392 56.400 0.050 0.000 0.952 1139 E CB -0.148 29.578 29.700 0.044 0.000 0.975 1139 E HN 0.239 nan 8.360 nan 0.000 0.494 1140 H N 3.736 122.800 119.070 -0.009 0.000 3.257 1140 H HA -0.043 4.512 4.556 -0.000 0.000 0.256 1140 H C -1.010 174.311 175.328 -0.012 0.000 0.885 1140 H CA 0.859 56.900 56.048 -0.012 0.000 1.406 1140 H CB 0.107 29.862 29.762 -0.013 0.000 1.506 1140 H HN 0.291 nan 8.280 nan 0.000 0.527 1141 T N 5.319 119.681 114.554 -0.320 0.000 2.779 1141 T HA 0.368 4.717 4.350 -0.000 0.000 0.280 1141 T C -0.193 174.276 174.700 -0.385 0.000 0.987 1141 T CA -0.481 61.450 62.100 -0.282 0.000 0.966 1141 T CB 0.925 69.710 68.868 -0.137 0.000 0.933 1141 T HN 0.727 nan 8.240 nan 0.000 0.442 1142 T N 0.874 115.236 114.554 -0.320 0.000 2.912 1142 T HA 0.439 4.788 4.350 -0.000 0.000 0.288 1142 T C 1.193 175.820 174.700 -0.122 0.000 1.030 1142 T CA -0.962 61.000 62.100 -0.229 0.000 1.020 1142 T CB 1.242 69.999 68.868 -0.184 0.000 1.056 1142 T HN 0.238 nan 8.240 nan 0.000 0.480 1143 L N 1.548 122.718 121.223 -0.088 0.000 2.137 1143 L HA -0.058 4.282 4.340 -0.000 0.000 0.213 1143 L C 2.430 179.273 176.870 -0.046 0.000 1.085 1143 L CA 2.017 56.821 54.840 -0.061 0.000 0.760 1143 L CB -0.909 41.127 42.059 -0.037 0.000 0.893 1143 L HN 0.938 nan 8.230 nan 0.000 0.434 1144 K N -0.771 119.606 120.400 -0.039 0.000 2.211 1144 K HA -0.132 4.188 4.320 -0.000 0.000 0.204 1144 K C 1.757 178.340 176.600 -0.028 0.000 1.047 1144 K CA 1.365 57.638 56.287 -0.024 0.000 0.935 1144 K CB -0.134 32.358 32.500 -0.013 0.000 0.728 1144 K HN 0.636 nan 8.250 nan 0.000 0.452 1145 S N -0.691 114.983 115.700 -0.043 0.000 2.593 1145 S HA 0.019 4.488 4.470 -0.000 0.000 0.217 1145 S C 1.208 175.787 174.600 -0.035 0.000 0.966 1145 S CA 0.254 58.431 58.200 -0.038 0.000 0.914 1145 S CB 0.575 63.746 63.200 -0.048 0.000 0.776 1145 S HN 0.184 nan 8.310 nan 0.000 0.523 1146 V N -2.219 117.672 119.914 -0.038 0.000 3.398 1146 V HA 0.313 4.433 4.120 -0.000 0.000 0.298 1146 V C 0.164 176.241 176.094 -0.029 0.000 1.496 1146 V CA -0.244 62.034 62.300 -0.036 0.000 1.044 1146 V CB -0.556 31.238 31.823 -0.049 0.000 0.880 1146 V HN 0.325 nan 8.190 nan 0.000 0.443 1147 T N 2.190 116.728 114.554 -0.025 0.000 2.727 1147 T HA 0.558 4.908 4.350 -0.000 0.000 0.298 1147 T C 1.245 175.939 174.700 -0.010 0.000 0.942 1147 T CA -0.074 62.015 62.100 -0.019 0.000 0.997 1147 T CB 1.580 70.439 68.868 -0.016 0.000 0.917 1147 T HN 0.193 nan 8.240 nan 0.000 0.487 1148 I N 1.361 121.927 120.570 -0.007 0.000 2.500 1148 I HA 0.197 4.367 4.170 -0.000 0.000 0.252 1148 I C 1.349 177.468 176.117 0.005 0.000 1.142 1148 I CA 0.417 61.716 61.300 -0.001 0.000 1.451 1148 I CB -0.086 37.915 38.000 0.001 0.000 1.093 1148 I HN 0.676 nan 8.210 nan 0.000 0.430 1149 A N 0.022 122.846 122.820 0.006 0.000 2.567 1149 A HA 0.633 4.953 4.320 -0.000 0.000 0.291 1149 A C -0.953 176.639 177.584 0.014 0.000 1.048 1149 A CA -0.363 51.682 52.037 0.014 0.000 0.661 1149 A CB 1.066 20.081 19.000 0.024 0.000 1.288 1149 A HN 0.076 nan 8.150 nan 0.000 0.424 1150 S N 0.174 115.888 115.700 0.024 0.000 2.548 1150 S HA 0.834 5.304 4.470 -0.000 0.000 0.276 1150 S C -1.054 173.580 174.600 0.057 0.000 1.129 1150 S CA -0.586 57.630 58.200 0.025 0.000 0.931 1150 S CB 1.685 64.893 63.200 0.012 0.000 1.068 1150 S HN 0.743 nan 8.310 nan 0.000 0.480 1151 E N 1.443 121.695 120.200 0.088 0.000 2.367 1151 E HA 0.594 4.944 4.350 -0.000 0.000 0.273 1151 E C -0.954 175.774 176.600 0.213 0.000 0.903 1151 E CA -1.033 55.481 56.400 0.191 0.000 0.764 1151 E CB 2.355 32.302 29.700 0.411 0.000 1.252 1151 E HN 0.784 nan 8.360 nan 0.000 0.446 1152 I N -0.299 120.421 120.570 0.251 0.000 2.495 1152 I HA 0.431 4.601 4.170 -0.000 0.000 0.277 1152 I C -1.086 175.261 176.117 0.384 0.000 1.045 1152 I CA -0.919 60.523 61.300 0.237 0.000 1.135 1152 I CB 0.061 38.094 38.000 0.055 0.000 1.241 1152 I HN 0.323 nan 8.210 nan 0.000 0.469 1153 Y N 3.842 124.240 120.300 0.163 0.000 2.334 1153 Y HA 0.322 4.872 4.550 -0.000 0.000 0.325 1153 Y C -0.279 175.862 175.900 0.401 0.000 1.308 1153 Y CA -0.963 57.275 58.100 0.231 0.000 1.389 1153 Y CB 0.594 39.135 38.460 0.134 0.000 1.328 1153 Y HN 0.522 nan 8.280 nan 0.000 0.532 1154 Y N 2.065 122.612 120.300 0.412 0.000 2.491 1154 Y HA 0.325 4.875 4.550 -0.000 0.000 0.334 1154 Y C -0.965 174.963 175.900 0.046 0.000 0.969 1154 Y CA -0.772 57.432 58.100 0.174 0.000 1.241 1154 Y CB 0.272 38.734 38.460 0.005 0.000 1.105 1154 Y HN 0.489 nan 8.280 nan 0.000 0.503 1155 D N 8.814 128.896 120.400 -0.529 0.000 2.440 1155 D HA 0.251 4.891 4.640 -0.000 0.000 0.252 1155 D C -2.324 173.635 176.300 -0.568 0.000 1.180 1155 D CA -1.814 51.934 54.000 -0.420 0.000 0.894 1155 D CB 2.379 43.103 40.800 -0.126 0.000 1.111 1155 D HN 0.315 nan 8.370 nan 0.000 0.544 1156 P HA 0.079 nan 4.420 nan 0.000 0.245 1156 P C -0.050 177.132 177.300 -0.196 0.000 1.206 1156 P CA 0.107 62.938 63.100 -0.448 0.000 0.781 1156 P CB 0.687 32.167 31.700 -0.366 0.000 0.994 1157 D N 1.988 122.303 120.400 -0.142 0.000 2.454 1157 D HA 0.161 4.801 4.640 -0.000 0.000 0.225 1157 D C -1.812 174.473 176.300 -0.025 0.000 1.081 1157 D CA -2.617 51.345 54.000 -0.064 0.000 0.864 1157 D CB 0.789 41.564 40.800 -0.042 0.000 1.040 1157 D HN 0.028 nan 8.370 nan 0.000 0.517 1158 P HA 0.080 nan 4.420 nan 0.000 0.277 1158 P C -0.265 177.116 177.300 0.135 0.000 1.617 1158 P CA 0.118 63.250 63.100 0.054 0.000 0.829 1158 P CB 0.026 31.738 31.700 0.020 0.000 1.774 1159 R N -0.750 119.812 120.500 0.103 0.000 2.471 1159 R HA 0.178 4.517 4.340 -0.000 0.000 0.367 1159 R C -0.356 175.935 176.300 -0.016 0.000 0.799 1159 R CA 0.027 56.182 56.100 0.092 0.000 1.055 1159 R CB 0.566 30.892 30.300 0.043 0.000 1.704 1159 R HN 0.313 nan 8.270 nan 0.000 0.531 1160 S N -1.760 113.946 115.700 0.010 0.000 2.712 1160 S HA 0.316 4.786 4.470 -0.000 0.000 0.279 1160 S C -0.784 173.815 174.600 -0.003 0.000 1.025 1160 S CA -0.921 57.269 58.200 -0.015 0.000 0.861 1160 S CB 1.734 64.913 63.200 -0.034 0.000 1.091 1160 S HN -0.085 nan 8.310 nan 0.000 0.457 1161 T N 1.082 115.634 114.554 -0.003 0.000 2.940 1161 T HA 0.593 4.943 4.350 -0.000 0.000 0.288 1161 T C 0.777 175.487 174.700 0.017 0.000 1.045 1161 T CA -0.600 61.501 62.100 0.002 0.000 1.018 1161 T CB 1.598 70.463 68.868 -0.005 0.000 1.151 1161 T HN 0.809 nan 8.240 nan 0.000 0.529 1162 V N 0.810 120.749 119.914 0.043 0.000 3.633 1162 V HA 0.270 4.390 4.120 -0.000 0.000 0.283 1162 V C 0.293 176.442 176.094 0.093 0.000 1.305 1162 V CA 0.440 62.785 62.300 0.075 0.000 1.153 1162 V CB -0.958 30.936 31.823 0.119 0.000 0.950 1162 V HN 0.606 nan 8.190 nan 0.000 0.432 1163 I N 2.119 122.726 120.570 0.061 0.000 2.441 1163 I HA 0.307 4.477 4.170 -0.000 0.000 0.295 1163 I C -1.042 175.090 176.117 0.024 0.000 0.994 1163 I CA -1.944 59.385 61.300 0.049 0.000 1.144 1163 I CB 2.341 40.333 38.000 -0.015 0.000 1.314 1163 I HN -0.027 nan 8.210 nan 0.000 0.445 1164 P HA -0.112 nan 4.420 nan 0.000 0.208 1164 P C 0.570 177.875 177.300 0.008 0.000 1.203 1164 P CA 1.292 64.403 63.100 0.018 0.000 0.920 1164 P CB 0.101 31.815 31.700 0.024 0.000 0.769 1165 E N -0.147 120.058 120.200 0.008 0.000 2.452 1165 E HA -0.123 4.227 4.350 -0.000 0.000 0.209 1165 E C 0.450 177.047 176.600 -0.005 0.000 1.228 1165 E CA 0.528 56.930 56.400 0.003 0.000 0.968 1165 E CB -0.554 29.149 29.700 0.005 0.000 0.947 1165 E HN 0.307 nan 8.360 nan 0.000 0.564 1166 D N -0.832 119.563 120.400 -0.008 0.000 2.403 1166 D HA -0.000 4.640 4.640 -0.000 0.000 0.280 1166 D C 1.068 177.367 176.300 -0.002 0.000 1.091 1166 D CA -0.031 53.962 54.000 -0.012 0.000 0.884 1166 D CB 0.362 41.141 40.800 -0.034 0.000 1.427 1166 D HN 0.065 nan 8.370 nan 0.000 0.504 1167 E N 1.325 121.522 120.200 -0.004 0.000 2.160 1167 E HA -0.379 3.971 4.350 -0.000 0.000 0.237 1167 E C 1.710 178.307 176.600 -0.004 0.000 1.069 1167 E CA 1.808 58.204 56.400 -0.008 0.000 0.950 1167 E CB -0.302 29.392 29.700 -0.011 0.000 0.832 1167 E HN 0.401 nan 8.360 nan 0.000 0.496 1168 E N 0.991 121.190 120.200 -0.001 0.000 2.113 1168 E HA -0.267 4.083 4.350 -0.000 0.000 0.210 1168 E C 2.102 178.718 176.600 0.028 0.000 1.040 1168 E CA 1.972 58.375 56.400 0.005 0.000 0.847 1168 E CB -0.369 29.337 29.700 0.009 0.000 0.755 1168 E HN 0.360 nan 8.360 nan 0.000 0.459 1169 I N 0.732 121.323 120.570 0.036 0.000 2.908 1169 I HA -0.244 3.926 4.170 -0.000 0.000 0.271 1169 I C 1.885 178.061 176.117 0.100 0.000 1.275 1169 I CA 0.628 61.964 61.300 0.059 0.000 1.446 1169 I CB -0.382 37.638 38.000 0.033 0.000 1.092 1169 I HN 0.263 nan 8.210 nan 0.000 0.482 1170 I N -0.316 120.314 120.570 0.101 0.000 2.726 1170 I HA -0.119 4.051 4.170 -0.000 0.000 0.243 1170 I C 2.411 178.662 176.117 0.223 0.000 1.082 1170 I CA 0.451 61.875 61.300 0.206 0.000 1.447 1170 I CB -0.592 37.474 38.000 0.110 0.000 1.250 1170 I HN 0.052 nan 8.210 nan 0.000 0.453 1171 Q N 1.387 121.168 119.800 -0.031 0.000 2.112 1171 Q HA -0.138 4.202 4.340 -0.000 0.000 0.206 1171 Q C 1.868 177.890 176.000 0.037 0.000 0.987 1171 Q CA 1.407 57.125 55.803 -0.142 0.000 0.858 1171 Q CB -0.228 28.431 28.738 -0.132 0.000 0.905 1171 Q HN 0.519 nan 8.270 nan 0.000 0.420 1172 L N 0.321 121.593 121.223 0.081 0.000 2.713 1172 L HA 0.018 4.358 4.340 -0.000 0.000 0.245 1172 L C 0.850 177.776 176.870 0.095 0.000 1.169 1172 L CA 0.231 55.110 54.840 0.065 0.000 0.962 1172 L CB -0.160 41.917 42.059 0.030 0.000 1.161 1172 L HN 0.270 nan 8.230 nan 0.000 0.427 1173 H N -0.864 118.327 119.070 0.201 0.000 2.790 1173 H HA 0.198 4.754 4.556 -0.000 0.000 0.232 1173 H C -0.269 175.193 175.328 0.224 0.000 1.313 1173 H CA -0.121 56.011 56.048 0.140 0.000 1.011 1173 H CB 0.603 30.379 29.762 0.024 0.000 2.105 1173 H HN 0.158 nan 8.280 nan 0.000 0.580 1174 F N -0.269 119.696 119.950 0.025 0.000 2.856 1174 F HA 0.159 4.685 4.527 -0.000 0.000 0.338 1174 F C 0.744 176.533 175.800 -0.020 0.000 1.100 1174 F CA -0.123 57.888 58.000 0.018 0.000 1.150 1174 F CB 0.775 39.782 39.000 0.012 0.000 1.101 1174 F HN 0.050 nan 8.300 nan 0.000 0.548 1175 S N -1.065 114.692 115.700 0.096 0.000 2.685 1175 S HA 0.653 5.122 4.470 -0.000 0.000 0.282 1175 S C -0.285 174.294 174.600 -0.036 0.000 1.159 1175 S CA -0.933 57.283 58.200 0.027 0.000 0.833 1175 S CB 1.466 64.685 63.200 0.033 0.000 1.151 1175 S HN 0.011 nan 8.310 nan 0.000 0.485 1188 Q N 1.349 121.136 119.800 -0.022 0.000 2.293 1188 Q HA 0.653 4.993 4.340 -0.000 0.000 0.216 1188 Q C -0.795 175.217 176.000 0.021 0.000 1.003 1188 Q CA -0.456 55.352 55.803 0.009 0.000 0.995 1188 Q CB 1.733 30.483 28.738 0.019 0.000 1.172 1188 Q HN 0.168 nan 8.270 nan 0.000 0.518 1189 S N 0.376 116.105 115.700 0.048 0.000 2.578 1189 S HA 0.309 4.779 4.470 -0.000 0.000 0.283 1189 S C -1.930 172.673 174.600 0.004 0.000 1.195 1189 S CA -1.880 56.357 58.200 0.062 0.000 1.050 1189 S CB 0.678 63.965 63.200 0.145 0.000 1.012 1189 S HN 0.424 nan 8.310 nan 0.000 0.511 1190 P HA 0.070 nan 4.420 nan 0.000 0.245 1190 P C -0.451 176.616 177.300 -0.388 0.000 1.212 1190 P CA 0.148 63.063 63.100 -0.308 0.000 0.774 1190 P CB -0.030 31.424 31.700 -0.411 0.000 0.999 1191 W N 0.918 122.192 121.300 -0.044 0.000 2.322 1191 W HA 0.367 5.027 4.660 -0.000 0.000 0.307 1191 W C 0.432 176.943 176.519 -0.014 0.000 1.220 1191 W CA -1.006 56.338 57.345 -0.001 0.000 1.210 1191 W CB 0.741 30.236 29.460 0.058 0.000 1.223 1191 W HN -0.118 nan 8.180 nan 0.000 0.511 1192 L N 5.278 126.718 121.223 0.361 0.000 2.352 1192 L HA 0.726 5.065 4.340 -0.000 0.000 0.269 1192 L C -1.234 175.730 176.870 0.156 0.000 1.034 1192 L CA -0.931 54.019 54.840 0.184 0.000 0.806 1192 L CB 1.283 43.418 42.059 0.128 0.000 1.244 1192 L HN 0.326 nan 8.230 nan 0.000 0.447 1193 L N 3.651 124.907 121.223 0.054 0.000 2.541 1193 L HA 0.555 4.894 4.340 -0.000 0.000 0.266 1193 L C -1.133 175.718 176.870 -0.032 0.000 0.966 1193 L CA -0.264 54.587 54.840 0.020 0.000 0.871 1193 L CB 1.251 43.303 42.059 -0.012 0.000 1.232 1193 L HN 0.762 nan 8.230 nan 0.000 0.408 1194 R N 4.247 124.719 120.500 -0.047 0.000 2.532 1194 R HA 0.889 5.229 4.340 -0.000 0.000 0.295 1194 R C -1.555 174.714 176.300 -0.051 0.000 0.968 1194 R CA -0.635 55.410 56.100 -0.091 0.000 0.916 1194 R CB 1.299 31.473 30.300 -0.211 0.000 1.124 1194 R HN 0.749 nan 8.270 nan 0.000 0.463 1195 L N 2.654 123.849 121.223 -0.047 0.000 2.385 1195 L HA 0.434 4.773 4.340 -0.000 0.000 0.273 1195 L C -0.572 176.282 176.870 -0.027 0.000 0.990 1195 L CA -0.602 54.221 54.840 -0.029 0.000 0.821 1195 L CB 2.073 44.114 42.059 -0.029 0.000 1.279 1195 L HN 0.651 nan 8.230 nan 0.000 0.412 1196 E N 4.628 124.818 120.200 -0.017 0.000 2.121 1196 E HA 0.427 4.777 4.350 -0.000 0.000 0.255 1196 E C -1.054 175.539 176.600 -0.011 0.000 0.906 1196 E CA -0.556 55.836 56.400 -0.012 0.000 0.745 1196 E CB 0.814 30.511 29.700 -0.004 0.000 1.155 1196 E HN 0.516 nan 8.360 nan 0.000 0.424 1197 L N 2.306 123.520 121.223 -0.016 0.000 2.453 1197 L HA 0.273 4.612 4.340 -0.000 0.000 0.261 1197 L C 0.767 177.628 176.870 -0.015 0.000 1.179 1197 L CA -0.496 54.332 54.840 -0.021 0.000 0.813 1197 L CB 0.384 42.424 42.059 -0.033 0.000 1.110 1197 L HN 0.542 nan 8.230 nan 0.000 0.466 1198 D N 0.496 120.887 120.400 -0.016 0.000 2.255 1198 D HA 0.116 4.756 4.640 -0.000 0.000 0.249 1198 D C 0.682 176.974 176.300 -0.013 0.000 1.078 1198 D CA -0.211 53.782 54.000 -0.012 0.000 0.896 1198 D CB 1.603 42.397 40.800 -0.011 0.000 1.194 1198 D HN 0.426 nan 8.370 nan 0.000 0.429 1199 R N 2.349 122.843 120.500 -0.009 0.000 2.056 1199 R HA -0.061 4.279 4.340 -0.000 0.000 0.227 1199 R C 2.013 178.307 176.300 -0.011 0.000 1.149 1199 R CA 1.373 57.468 56.100 -0.009 0.000 0.937 1199 R CB -0.347 29.951 30.300 -0.004 0.000 0.835 1199 R HN 0.558 nan 8.270 nan 0.000 0.430 1200 A N 0.595 123.410 122.820 -0.008 0.000 2.032 1200 A HA -0.153 4.166 4.320 -0.000 0.000 0.221 1200 A C 2.128 179.707 177.584 -0.008 0.000 1.165 1200 A CA 1.836 53.868 52.037 -0.007 0.000 0.645 1200 A CB -0.544 18.453 19.000 -0.004 0.000 0.807 1200 A HN 0.528 nan 8.150 nan 0.000 0.453 1201 A N -1.704 121.110 122.820 -0.010 0.000 2.119 1201 A HA 0.152 4.471 4.320 -0.000 0.000 0.216 1201 A C 1.866 179.437 177.584 -0.021 0.000 1.152 1201 A CA 1.188 53.218 52.037 -0.012 0.000 0.708 1201 A CB -0.253 18.738 19.000 -0.015 0.000 0.805 1201 A HN 0.400 nan 8.150 nan 0.000 0.460 1202 M N -0.010 119.575 119.600 -0.025 0.000 2.502 1202 M HA 0.101 4.581 4.480 -0.000 0.000 0.243 1202 M C 0.813 177.093 176.300 -0.034 0.000 1.130 1202 M CA 0.520 55.800 55.300 -0.033 0.000 1.055 1202 M CB -0.821 31.759 32.600 -0.033 0.000 1.457 1202 M HN 0.369 nan 8.290 nan 0.000 0.488 1203 N N 0.133 118.816 118.700 -0.029 0.000 2.432 1203 N HA -0.067 4.673 4.740 -0.000 0.000 0.174 1203 N C 1.314 176.798 175.510 -0.043 0.000 1.037 1203 N CA 0.492 53.522 53.050 -0.034 0.000 0.892 1203 N CB 0.365 38.836 38.487 -0.027 0.000 1.049 1203 N HN 0.390 nan 8.380 nan 0.000 0.442 1204 D N 1.904 122.288 120.400 -0.028 0.000 2.087 1204 D HA -0.077 4.563 4.640 -0.000 0.000 0.203 1204 D C 0.924 177.197 176.300 -0.045 0.000 0.976 1204 D CA 1.022 55.010 54.000 -0.020 0.000 0.865 1204 D CB 0.292 41.111 40.800 0.033 0.000 1.005 1204 D HN 0.066 nan 8.370 nan 0.000 0.449 1205 K N 0.747 121.136 120.400 -0.017 0.000 2.574 1205 K HA -0.064 4.256 4.320 -0.000 0.000 0.193 1205 K C 0.044 176.611 176.600 -0.055 0.000 1.035 1205 K CA 0.016 56.286 56.287 -0.029 0.000 0.982 1205 K CB -0.069 32.419 32.500 -0.020 0.000 0.795 1205 K HN 0.267 nan 8.250 nan 0.000 0.491 1206 D N 0.635 121.000 120.400 -0.058 0.000 7.113 1206 D HA -0.193 4.446 4.640 -0.000 0.000 0.262 1206 D C -1.003 175.262 176.300 -0.059 0.000 1.896 1206 D CA 1.004 54.968 54.000 -0.060 0.000 1.782 1206 D CB -0.139 40.618 40.800 -0.071 0.000 0.821 1206 D HN 0.068 nan 8.370 nan 0.000 0.507 1207 L N 1.832 123.021 121.223 -0.058 0.000 2.600 1207 L HA 0.584 4.924 4.340 -0.000 0.000 0.257 1207 L C -0.090 176.741 176.870 -0.066 0.000 1.048 1207 L CA -0.850 53.950 54.840 -0.067 0.000 0.869 1207 L CB 2.478 44.491 42.059 -0.076 0.000 1.482 1207 L HN 0.308 nan 8.230 nan 0.000 0.408 1208 T N 0.156 114.659 114.554 -0.085 0.000 2.916 1208 T HA 0.329 4.679 4.350 -0.000 0.000 0.298 1208 T C 0.759 175.370 174.700 -0.149 0.000 1.031 1208 T CA -0.693 61.357 62.100 -0.082 0.000 0.993 1208 T CB 2.021 70.855 68.868 -0.057 0.000 1.045 1208 T HN 0.392 nan 8.240 nan 0.000 0.454 1209 M N 1.629 121.146 119.600 -0.138 0.000 2.082 1209 M HA -0.046 4.434 4.480 -0.000 0.000 0.258 1209 M C 2.532 178.489 176.300 -0.572 0.000 1.069 1209 M CA 2.011 57.133 55.300 -0.296 0.000 1.102 1209 M CB -1.764 30.799 32.600 -0.062 0.000 1.336 1209 M HN 0.879 nan 8.290 nan 0.000 0.404 1210 G N -0.138 108.547 108.800 -0.192 0.000 2.491 1210 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.218 1210 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.218 1210 G C 1.543 176.290 174.900 -0.256 0.000 1.180 1210 G CA 0.864 45.920 45.100 -0.073 0.000 0.774 1210 G HN 0.534 nan 8.290 nan 0.000 0.562 1211 Q N -0.308 119.376 119.800 -0.193 0.000 1.917 1211 Q HA -0.062 4.277 4.340 -0.000 0.000 0.205 1211 Q C 2.876 178.717 176.000 -0.265 0.000 0.988 1211 Q CA 1.529 57.228 55.803 -0.173 0.000 0.851 1211 Q CB -0.636 28.032 28.738 -0.117 0.000 0.916 1211 Q HN 0.274 nan 8.270 nan 0.000 0.424 1212 V N 1.010 120.758 119.914 -0.277 0.000 2.240 1212 V HA -0.392 3.727 4.120 -0.000 0.000 0.257 1212 V C 2.220 178.093 176.094 -0.368 0.000 1.067 1212 V CA 2.323 64.453 62.300 -0.284 0.000 1.067 1212 V CB -1.613 30.038 31.823 -0.286 0.000 0.683 1212 V HN 0.716 nan 8.190 nan 0.000 0.461 1213 G N -1.325 107.068 108.800 -0.679 0.000 2.459 1213 G HA2 -0.278 3.681 3.960 -0.000 0.000 0.217 1213 G HA3 -0.278 3.681 3.960 -0.000 0.000 0.217 1213 G C 1.427 176.046 174.900 -0.469 0.000 1.183 1213 G CA 0.940 45.565 45.100 -0.792 0.000 0.776 1213 G HN 0.520 nan 8.290 nan 0.000 0.552 1214 E N 0.277 120.204 120.200 -0.456 0.000 2.136 1214 E HA -0.254 4.095 4.350 -0.000 0.000 0.208 1214 E C 2.569 179.128 176.600 -0.069 0.000 1.035 1214 E CA 1.511 57.838 56.400 -0.121 0.000 0.838 1214 E CB -0.205 29.453 29.700 -0.071 0.000 0.748 1214 E HN 0.248 nan 8.360 nan 0.000 0.459 1215 R N 0.711 121.147 120.500 -0.107 0.000 2.088 1215 R HA -0.095 4.244 4.340 -0.000 0.000 0.232 1215 R C 2.518 178.806 176.300 -0.019 0.000 1.136 1215 R CA 1.603 57.667 56.100 -0.059 0.000 0.926 1215 R CB -1.034 29.219 30.300 -0.078 0.000 0.837 1215 R HN 0.211 nan 8.270 nan 0.000 0.429 1216 I N 0.728 121.281 120.570 -0.027 0.000 2.103 1216 I HA -0.447 3.723 4.170 -0.000 0.000 0.241 1216 I C 2.481 178.700 176.117 0.171 0.000 1.036 1216 I CA 2.192 63.539 61.300 0.077 0.000 1.300 1216 I CB -0.571 37.444 38.000 0.025 0.000 1.010 1216 I HN 0.261 nan 8.210 nan 0.000 0.406 1217 K N 0.953 121.419 120.400 0.109 0.000 2.034 1217 K HA -0.271 4.048 4.320 -0.000 0.000 0.214 1217 K C 2.184 178.877 176.600 0.154 0.000 1.051 1217 K CA 2.257 58.635 56.287 0.152 0.000 0.931 1217 K CB -0.208 32.389 32.500 0.162 0.000 0.715 1217 K HN 0.566 nan 8.250 nan 0.000 0.446 1218 Q N -0.897 118.961 119.800 0.097 0.000 2.488 1218 Q HA -0.046 4.294 4.340 -0.000 0.000 0.211 1218 Q C 1.160 177.184 176.000 0.040 0.000 0.967 1218 Q CA 1.272 57.116 55.803 0.068 0.000 0.926 1218 Q CB 0.154 28.916 28.738 0.041 0.000 0.992 1218 Q HN 0.185 nan 8.270 nan 0.000 0.506 1219 T N 0.439 115.017 114.554 0.040 0.000 2.770 1219 T HA 0.000 4.350 4.350 -0.000 0.000 0.258 1219 T C 1.014 175.606 174.700 -0.180 0.000 1.039 1219 T CA 1.108 63.147 62.100 -0.102 0.000 1.143 1219 T CB -0.164 68.597 68.868 -0.178 0.000 0.866 1219 T HN 0.292 nan 8.240 nan 0.000 0.428 1220 F N 0.928 120.887 119.950 0.015 0.000 2.220 1220 F HA 0.298 4.825 4.527 -0.000 0.000 0.290 1220 F C 1.402 177.221 175.800 0.031 0.000 1.080 1220 F CA 0.102 58.116 58.000 0.023 0.000 1.318 1220 F CB -0.142 38.874 39.000 0.027 0.000 1.063 1220 F HN 0.043 nan 8.300 nan 0.000 0.498 1221 K N -0.778 119.766 120.400 0.240 0.000 7.194 1221 K HA -0.271 4.049 4.320 -0.000 0.000 0.213 1221 K C 0.329 177.015 176.600 0.143 0.000 1.581 1221 K CA 0.908 57.285 56.287 0.151 0.000 0.854 1221 K CB -1.390 31.170 32.500 0.101 0.000 0.565 1221 K HN -0.059 nan 8.250 nan 0.000 0.470 1222 N N 2.008 120.775 118.700 0.110 0.000 2.571 1222 N HA -0.038 4.701 4.740 -0.000 0.000 0.189 1222 N C -0.461 175.106 175.510 0.094 0.000 1.154 1222 N CA 1.292 54.398 53.050 0.093 0.000 0.907 1222 N CB -0.087 38.439 38.487 0.066 0.000 0.977 1222 N HN 0.392 nan 8.380 nan 0.000 0.449 1223 D N -0.061 120.408 120.400 0.116 0.000 2.980 1223 D HA 0.195 4.835 4.640 -0.000 0.000 0.333 1223 D C -0.485 175.870 176.300 0.091 0.000 1.356 1223 D CA -0.448 53.613 54.000 0.102 0.000 0.847 1223 D CB -0.021 40.840 40.800 0.101 0.000 1.122 1223 D HN -0.068 nan 8.370 nan 0.000 0.475 1224 L N 0.530 121.806 121.223 0.088 0.000 3.679 1224 L HA 0.320 4.660 4.340 -0.000 0.000 0.250 1224 L C -2.264 174.657 176.870 0.085 0.000 0.994 1224 L CA -0.810 54.043 54.840 0.021 0.000 1.310 1224 L CB 0.758 42.726 42.059 -0.151 0.000 1.929 1224 L HN -0.030 nan 8.230 nan 0.000 0.672 1225 F N 5.783 125.709 119.950 -0.040 0.000 2.438 1225 F HA 0.766 5.293 4.527 -0.000 0.000 0.356 1225 F C -0.583 175.191 175.800 -0.043 0.000 1.099 1225 F CA -0.113 57.863 58.000 -0.039 0.000 1.185 1225 F CB 0.928 39.892 39.000 -0.059 0.000 1.115 1225 F HN 0.254 nan 8.300 nan 0.000 0.526 1226 V N 7.217 126.721 119.914 -0.682 0.000 2.962 1226 V HA 0.576 4.696 4.120 -0.000 0.000 0.313 1226 V C -0.075 175.591 176.094 -0.713 0.000 1.099 1226 V CA -0.883 61.074 62.300 -0.572 0.000 0.971 1226 V CB 1.949 33.688 31.823 -0.140 0.000 1.028 1226 V HN 0.724 nan 8.190 nan 0.000 0.430 1227 I N 1.459 121.725 120.570 -0.508 0.000 3.239 1227 I HA 0.815 4.985 4.170 -0.000 0.000 0.314 1227 I C -1.330 174.749 176.117 -0.064 0.000 1.126 1227 I CA -0.665 60.277 61.300 -0.598 0.000 0.973 1227 I CB 2.495 40.073 38.000 -0.702 0.000 1.252 1227 I HN 0.917 nan 8.210 nan 0.000 0.463 1228 W N 0.484 121.613 121.300 -0.285 0.000 3.173 1228 W HA 0.623 5.282 4.660 -0.000 0.000 0.313 1228 W C -1.024 175.491 176.519 -0.007 0.000 1.228 1228 W CA -0.815 56.461 57.345 -0.114 0.000 1.185 1228 W CB -0.144 29.270 29.460 -0.077 0.000 1.390 1228 W HN 0.602 nan 8.180 nan 0.000 0.568 1229 S N 0.197 116.051 115.700 0.257 0.000 2.625 1229 S HA 0.598 5.067 4.470 -0.000 0.000 0.262 1229 S C -0.472 174.284 174.600 0.260 0.000 1.223 1229 S CA -0.576 57.732 58.200 0.179 0.000 0.993 1229 S CB 1.051 64.318 63.200 0.112 0.000 1.051 1229 S HN 0.602 nan 8.310 nan 0.000 0.562 1230 E N 0.079 120.375 120.200 0.161 0.000 2.222 1230 E HA 0.219 4.569 4.350 -0.000 0.000 0.267 1230 E C -0.136 176.523 176.600 0.098 0.000 0.884 1230 E CA -0.644 55.847 56.400 0.152 0.000 0.764 1230 E CB 1.349 31.112 29.700 0.106 0.000 1.169 1230 E HN 0.571 nan 8.360 nan 0.000 0.413 1231 D N 1.803 122.256 120.400 0.088 0.000 2.453 1231 D HA -0.272 4.368 4.640 -0.000 0.000 0.204 1231 D C 1.067 177.388 176.300 0.035 0.000 1.015 1231 D CA 1.109 55.139 54.000 0.049 0.000 0.950 1231 D CB 0.167 40.989 40.800 0.037 0.000 0.874 1231 D HN 0.383 nan 8.370 nan 0.000 0.464 1232 N N 0.859 119.582 118.700 0.038 0.000 2.135 1232 N HA -0.087 4.652 4.740 -0.000 0.000 0.186 1232 N C 0.384 175.908 175.510 0.024 0.000 1.027 1232 N CA 0.511 53.577 53.050 0.027 0.000 0.849 1232 N CB 0.129 38.631 38.487 0.025 0.000 1.002 1232 N HN 0.179 nan 8.380 nan 0.000 0.425 1233 D N 0.675 121.094 120.400 0.031 0.000 2.303 1233 D HA -0.154 4.486 4.640 -0.000 0.000 0.233 1233 D C 1.027 177.338 176.300 0.020 0.000 1.313 1233 D CA 0.641 54.657 54.000 0.026 0.000 0.883 1233 D CB 0.369 41.190 40.800 0.033 0.000 1.220 1233 D HN 0.501 nan 8.370 nan 0.000 0.490 1234 E N -0.558 119.652 120.200 0.016 0.000 2.501 1234 E HA 0.112 4.461 4.350 -0.000 0.000 0.201 1234 E C -0.247 176.360 176.600 0.012 0.000 1.016 1234 E CA -0.041 56.367 56.400 0.012 0.000 0.920 1234 E CB 0.412 30.118 29.700 0.010 0.000 1.023 1234 E HN 0.156 nan 8.360 nan 0.000 0.474 1235 K N 1.690 122.099 120.400 0.014 0.000 2.690 1235 K HA 0.279 4.599 4.320 -0.000 0.000 0.264 1235 K C -1.076 175.534 176.600 0.017 0.000 1.040 1235 K CA -0.412 55.882 56.287 0.012 0.000 0.946 1235 K CB 1.747 34.252 32.500 0.009 0.000 1.268 1235 K HN 0.100 nan 8.250 nan 0.000 0.473 1236 L N 4.014 125.246 121.223 0.015 0.000 2.331 1236 L HA 0.591 4.931 4.340 -0.000 0.000 0.278 1236 L C 0.082 176.961 176.870 0.016 0.000 1.106 1236 L CA -0.412 54.441 54.840 0.023 0.000 0.824 1236 L CB 0.027 42.092 42.059 0.010 0.000 1.142 1236 L HN 0.430 nan 8.230 nan 0.000 0.443 1237 I N 3.350 123.941 120.570 0.034 0.000 3.102 1237 I HA 0.506 4.676 4.170 -0.000 0.000 0.310 1237 I C -0.852 175.291 176.117 0.044 0.000 1.246 1237 I CA -0.590 60.720 61.300 0.015 0.000 0.979 1237 I CB 3.140 41.135 38.000 -0.009 0.000 1.267 1237 I HN 0.507 nan 8.210 nan 0.000 0.451 1238 I N 3.181 123.755 120.570 0.008 0.000 2.529 1238 I HA 0.389 4.558 4.170 -0.000 0.000 0.284 1238 I C -0.557 175.535 176.117 -0.042 0.000 1.088 1238 I CA -0.433 60.879 61.300 0.019 0.000 1.062 1238 I CB 1.657 39.658 38.000 0.002 0.000 1.218 1238 I HN 0.463 nan 8.210 nan 0.000 0.442 1239 R N 4.267 124.723 120.500 -0.073 0.000 2.607 1239 R HA 0.912 5.252 4.340 -0.000 0.000 0.261 1239 R C -0.836 175.372 176.300 -0.154 0.000 1.051 1239 R CA -0.544 55.492 56.100 -0.108 0.000 1.110 1239 R CB 1.813 32.048 30.300 -0.109 0.000 1.158 1239 R HN 0.810 nan 8.270 nan 0.000 0.543 1240 C N -1.285 117.939 119.300 -0.127 0.000 3.068 1240 C HA 0.530 4.990 4.460 -0.000 0.000 0.344 1240 C C -1.203 173.756 174.990 -0.052 0.000 1.223 1240 C CA -1.349 57.581 59.018 -0.147 0.000 1.153 1240 C CB 1.240 28.877 27.740 -0.171 0.000 1.396 1240 C HN 0.936 nan 8.230 nan 0.000 0.485 1241 R N 0.715 121.210 120.500 -0.008 0.000 2.799 1241 R HA 0.851 5.190 4.340 -0.000 0.000 0.270 1241 R C -0.358 175.964 176.300 0.037 0.000 1.010 1241 R CA -0.672 55.457 56.100 0.048 0.000 0.916 1241 R CB 1.834 32.194 30.300 0.100 0.000 1.228 1241 R HN 0.670 nan 8.270 nan 0.000 0.469 1242 V N 0.058 120.002 119.914 0.050 0.000 3.781 1242 V HA 0.633 4.753 4.120 -0.000 0.000 0.271 1242 V C 0.414 176.545 176.094 0.061 0.000 0.951 1242 V CA -0.377 61.947 62.300 0.040 0.000 0.896 1242 V CB 0.967 32.824 31.823 0.056 0.000 1.224 1242 V HN 0.598 nan 8.190 nan 0.000 0.403 1255 E N 0.014 120.273 120.200 0.097 0.000 6.122 1255 E HA -0.113 4.237 4.350 -0.000 0.000 0.189 1255 E C 0.165 176.835 176.600 0.117 0.000 1.091 1255 E CA 0.649 57.115 56.400 0.110 0.000 1.400 1255 E CB -0.969 28.775 29.700 0.073 0.000 0.966 1255 E HN 0.702 nan 8.360 nan 0.000 0.345 1256 E N 1.097 121.385 120.200 0.146 0.000 2.230 1256 E HA -0.093 4.257 4.350 -0.000 0.000 0.192 1256 E C 0.823 177.375 176.600 -0.080 0.000 0.987 1256 E CA 0.330 56.793 56.400 0.105 0.000 0.841 1256 E CB 0.154 30.022 29.700 0.280 0.000 0.783 1256 E HN 0.414 nan 8.360 nan 0.000 0.481 1257 D N 0.321 120.589 120.400 -0.221 0.000 2.351 1257 D HA -0.137 4.503 4.640 -0.000 0.000 0.216 1257 D C 1.564 177.724 176.300 -0.233 0.000 0.968 1257 D CA 0.893 54.644 54.000 -0.415 0.000 0.899 1257 D CB 0.090 40.620 40.800 -0.449 0.000 0.907 1257 D HN 0.282 nan 8.370 nan 0.000 0.514 1258 H N -0.129 118.869 119.070 -0.120 0.000 2.418 1258 H HA 0.126 4.682 4.556 -0.000 0.000 0.300 1258 H C 2.003 177.301 175.328 -0.049 0.000 1.041 1258 H CA 0.269 56.276 56.048 -0.069 0.000 1.364 1258 H CB 0.383 30.124 29.762 -0.035 0.000 1.439 1258 H HN 0.115 nan 8.280 nan 0.000 0.540 1259 M N 0.633 120.287 119.600 0.089 0.000 2.081 1259 M HA -0.109 4.371 4.480 -0.000 0.000 0.261 1259 M C 0.730 177.039 176.300 0.014 0.000 1.075 1259 M CA 0.940 56.276 55.300 0.061 0.000 1.133 1259 M CB -0.016 32.623 32.600 0.063 0.000 1.330 1259 M HN 0.084 nan 8.290 nan 0.000 0.414 1260 L N 1.978 123.183 121.223 -0.030 0.000 2.436 1260 L HA 0.081 4.421 4.340 -0.000 0.000 0.244 1260 L C 0.387 177.204 176.870 -0.088 0.000 1.396 1260 L CA 1.084 55.890 54.840 -0.058 0.000 1.217 1260 L CB -1.157 40.862 42.059 -0.067 0.000 1.420 1260 L HN 0.411 nan 8.230 nan 0.000 0.434 1261 K N -0.248 120.120 120.400 -0.054 0.000 2.226 1261 K HA 0.070 4.390 4.320 -0.000 0.000 0.140 1261 K C 1.410 177.999 176.600 -0.019 0.000 2.039 1261 K CA 0.103 56.352 56.287 -0.063 0.000 1.172 1261 K CB 0.172 32.596 32.500 -0.127 0.000 2.136 1261 K HN 0.311 nan 8.250 nan 0.000 0.492 1262 K N 0.705 121.112 120.400 0.012 0.000 2.243 1262 K HA 0.209 4.528 4.320 -0.000 0.000 0.201 1262 K C 1.379 178.021 176.600 0.071 0.000 1.051 1262 K CA 0.823 57.136 56.287 0.044 0.000 0.970 1262 K CB 0.340 32.879 32.500 0.065 0.000 0.755 1262 K HN 0.153 nan 8.250 nan 0.000 0.465 1263 I N 1.078 121.692 120.570 0.073 0.000 3.684 1263 I HA -0.084 4.086 4.170 -0.000 0.000 0.304 1263 I C 1.996 178.163 176.117 0.083 0.000 1.278 1263 I CA 0.377 61.752 61.300 0.126 0.000 1.272 1263 I CB 0.079 38.117 38.000 0.063 0.000 1.029 1263 I HN 0.147 nan 8.210 nan 0.000 0.458 1264 E N 1.612 121.837 120.200 0.041 0.000 2.060 1264 E HA -0.140 4.209 4.350 -0.000 0.000 0.189 1264 E C 1.783 178.409 176.600 0.044 0.000 0.974 1264 E CA 1.375 57.789 56.400 0.023 0.000 0.808 1264 E CB -0.056 29.641 29.700 -0.004 0.000 0.768 1264 E HN 0.246 nan 8.360 nan 0.000 0.453 1265 N N -0.063 118.665 118.700 0.046 0.000 2.092 1265 N HA -0.079 4.661 4.740 -0.000 0.000 0.189 1265 N C 1.585 177.132 175.510 0.063 0.000 1.040 1265 N CA 2.054 55.130 53.050 0.043 0.000 0.845 1265 N CB -0.684 37.823 38.487 0.033 0.000 1.017 1265 N HN 0.243 nan 8.380 nan 0.000 0.426 1266 T N 1.534 116.139 114.554 0.085 0.000 2.932 1266 T HA -0.131 4.219 4.350 -0.000 0.000 0.269 1266 T C 1.763 176.530 174.700 0.113 0.000 1.131 1266 T CA 0.939 63.091 62.100 0.087 0.000 1.107 1266 T CB 0.002 68.944 68.868 0.122 0.000 0.824 1266 T HN 0.255 nan 8.240 nan 0.000 0.552 1267 M N -0.484 119.205 119.600 0.149 0.000 2.545 1267 M HA 0.252 4.732 4.480 -0.000 0.000 0.264 1267 M C 1.699 178.039 176.300 0.066 0.000 1.155 1267 M CA 0.898 56.287 55.300 0.150 0.000 1.162 1267 M CB 0.069 32.760 32.600 0.150 0.000 1.330 1267 M HN 0.237 nan 8.290 nan 0.000 0.479 1268 L N -0.808 120.443 121.223 0.046 0.000 2.585 1268 L HA 0.042 4.382 4.340 -0.000 0.000 0.226 1268 L C 0.809 177.689 176.870 0.018 0.000 1.113 1268 L CA 0.562 55.415 54.840 0.022 0.000 0.876 1268 L CB 0.136 42.205 42.059 0.017 0.000 1.072 1268 L HN 0.296 nan 8.230 nan 0.000 0.468 1269 E N -0.900 119.315 120.200 0.025 0.000 2.712 1269 E HA 0.137 4.486 4.350 -0.000 0.000 0.221 1269 E C -0.007 176.610 176.600 0.029 0.000 0.943 1269 E CA -0.066 56.351 56.400 0.027 0.000 1.259 1269 E CB 0.762 30.477 29.700 0.025 0.000 1.167 1269 E HN 0.257 nan 8.360 nan 0.000 0.569 1270 N N 0.762 119.472 118.700 0.017 0.000 2.377 1270 N HA 0.277 5.017 4.740 -0.000 0.000 0.259 1270 N C -0.771 174.728 175.510 -0.017 0.000 1.332 1270 N CA 0.199 53.249 53.050 0.001 0.000 0.877 1270 N CB 1.822 40.298 38.487 -0.019 0.000 1.299 1270 N HN 0.049 nan 8.380 nan 0.000 0.501 1271 I N 0.903 121.472 120.570 -0.002 0.000 2.534 1271 I HA 0.190 4.360 4.170 -0.000 0.000 0.286 1271 I C -0.608 175.497 176.117 -0.020 0.000 1.094 1271 I CA -0.151 61.138 61.300 -0.019 0.000 1.055 1271 I CB 2.155 40.143 38.000 -0.019 0.000 1.225 1271 I HN -0.195 nan 8.210 nan 0.000 0.435 1272 T N 6.183 120.731 114.554 -0.011 0.000 2.929 1272 T HA 0.453 4.802 4.350 -0.000 0.000 0.284 1272 T C 0.555 175.214 174.700 -0.069 0.000 1.014 1272 T CA -0.438 61.633 62.100 -0.049 0.000 1.051 1272 T CB 2.287 71.200 68.868 0.074 0.000 1.028 1272 T HN 0.266 nan 8.240 nan 0.000 0.485 1273 L N 0.684 121.841 121.223 -0.110 0.000 2.541 1273 L HA 0.444 4.783 4.340 -0.000 0.000 0.187 1273 L C 0.880 177.708 176.870 -0.069 0.000 1.098 1273 L CA 0.967 55.752 54.840 -0.090 0.000 0.846 1273 L CB -0.106 41.889 42.059 -0.107 0.000 1.151 1273 L HN 0.422 nan 8.230 nan 0.000 0.492 1274 R N -1.043 119.411 120.500 -0.076 0.000 2.651 1274 R HA 0.619 4.959 4.340 -0.000 0.000 0.278 1274 R C -0.759 175.534 176.300 -0.012 0.000 1.010 1274 R CA -0.177 55.899 56.100 -0.041 0.000 0.896 1274 R CB 2.148 32.420 30.300 -0.047 0.000 1.211 1274 R HN 0.211 nan 8.270 nan 0.000 0.456 1275 G N 0.351 109.170 108.800 0.031 0.000 2.423 1275 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.684 1275 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.684 1275 G C -1.654 173.316 174.900 0.116 0.000 1.309 1275 G CA -1.007 44.144 45.100 0.084 0.000 0.950 1275 G HN 0.385 nan 8.290 nan 0.000 0.587 1276 V N 0.930 120.900 119.914 0.092 0.000 2.448 1276 V HA 0.554 4.674 4.120 -0.000 0.000 0.295 1276 V C 0.720 176.787 176.094 -0.046 0.000 1.025 1276 V CA -0.199 62.120 62.300 0.031 0.000 0.859 1276 V CB 1.348 33.177 31.823 0.010 0.000 0.988 1276 V HN 1.165 nan 8.190 nan 0.000 0.431 1277 E N 4.835 124.936 120.200 -0.166 0.000 2.467 1277 E HA 0.008 4.358 4.350 -0.000 0.000 0.264 1277 E C 0.330 176.783 176.600 -0.245 0.000 1.020 1277 E CA 0.283 56.435 56.400 -0.415 0.000 0.945 1277 E CB 0.066 29.555 29.700 -0.352 0.000 0.942 1277 E HN 0.699 nan 8.360 nan 0.000 0.449 1278 N N 0.923 119.460 118.700 -0.272 0.000 2.984 1278 N HA -0.172 4.568 4.740 -0.000 0.000 0.227 1278 N C -0.578 174.889 175.510 -0.072 0.000 0.903 1278 N CA 1.192 54.164 53.050 -0.130 0.000 0.995 1278 N CB -1.130 37.303 38.487 -0.089 0.000 1.065 1278 N HN 0.607 nan 8.380 nan 0.000 0.585 1279 I N 1.966 122.501 120.570 -0.059 0.000 2.523 1279 I HA 0.163 4.333 4.170 -0.000 0.000 0.281 1279 I C 1.078 177.224 176.117 0.048 0.000 1.126 1279 I CA -0.194 61.106 61.300 -0.000 0.000 1.187 1279 I CB 0.463 38.469 38.000 0.010 0.000 1.478 1279 I HN 0.015 nan 8.210 nan 0.000 0.522 1280 E N 3.962 124.184 120.200 0.036 0.000 4.452 1280 E HA 0.288 4.637 4.350 -0.000 0.000 0.538 1280 E C 0.198 176.811 176.600 0.022 0.000 0.919 1280 E CA -0.803 55.627 56.400 0.050 0.000 3.456 1280 E CB 0.355 30.075 29.700 0.035 0.000 2.092 1280 E HN 0.375 nan 8.360 nan 0.000 0.530 1281 R N -0.062 120.436 120.500 -0.005 0.000 2.519 1281 R HA -0.112 4.228 4.340 -0.000 0.000 0.265 1281 R C -0.991 175.303 176.300 -0.010 0.000 0.911 1281 R CA 0.243 56.323 56.100 -0.034 0.000 1.087 1281 R CB -0.246 30.013 30.300 -0.068 0.000 0.857 1281 R HN 0.110 nan 8.270 nan 0.000 0.429 1282 V N 4.297 124.220 119.914 0.015 0.000 2.498 1282 V HA 0.162 4.282 4.120 -0.000 0.000 0.283 1282 V C -0.003 176.122 176.094 0.052 0.000 1.015 1282 V CA -0.742 61.573 62.300 0.026 0.000 0.867 1282 V CB 1.594 33.435 31.823 0.030 0.000 1.025 1282 V HN 0.490 nan 8.190 nan 0.000 0.441 1283 V N 4.906 124.831 119.914 0.018 0.000 3.170 1283 V HA 0.537 4.657 4.120 -0.000 0.000 0.309 1283 V C 0.253 176.340 176.094 -0.013 0.000 1.071 1283 V CA -0.532 61.786 62.300 0.031 0.000 1.063 1283 V CB 1.840 33.670 31.823 0.011 0.000 1.123 1283 V HN 0.757 nan 8.190 nan 0.000 0.464 1284 M N 2.869 122.452 119.600 -0.028 0.000 2.528 1284 M HA 0.651 5.131 4.480 -0.000 0.000 0.321 1284 M C -0.999 175.326 176.300 0.042 0.000 1.153 1284 M CA -0.351 54.909 55.300 -0.067 0.000 0.951 1284 M CB 2.057 34.503 32.600 -0.256 0.000 1.705 1284 M HN 0.404 nan 8.290 nan 0.000 0.451 1285 M N 1.521 121.205 119.600 0.140 0.000 2.470 1285 M HA 0.400 4.880 4.480 -0.000 0.000 0.285 1285 M C -1.326 175.044 176.300 0.117 0.000 1.213 1285 M CA -0.577 54.790 55.300 0.111 0.000 0.901 1285 M CB 2.693 35.094 32.600 -0.332 0.000 1.718 1285 M HN 0.579 nan 8.290 nan 0.000 0.469 1286 K N 1.908 122.272 120.400 -0.060 0.000 2.299 1286 K HA 0.485 4.805 4.320 -0.000 0.000 0.268 1286 K C -1.445 175.133 176.600 -0.037 0.000 1.075 1286 K CA -0.051 55.986 56.287 -0.416 0.000 0.936 1286 K CB 0.842 32.960 32.500 -0.636 0.000 1.228 1286 K HN 0.548 nan 8.250 nan 0.000 0.454 1287 Y N 0.959 121.213 120.300 -0.076 0.000 2.403 1287 Y HA 0.134 4.683 4.550 -0.000 0.000 0.323 1287 Y C 0.615 176.505 175.900 -0.016 0.000 1.226 1287 Y CA -1.288 56.812 58.100 -0.000 0.000 1.235 1287 Y CB 1.312 39.821 38.460 0.083 0.000 1.248 1287 Y HN 0.394 nan 8.280 nan 0.000 0.489 1288 D N 2.734 123.225 120.400 0.153 0.000 2.365 1288 D HA 0.090 4.730 4.640 -0.000 0.000 0.237 1288 D C -0.489 175.853 176.300 0.070 0.000 1.190 1288 D CA 0.127 54.168 54.000 0.067 0.000 0.867 1288 D CB 0.584 41.401 40.800 0.028 0.000 1.050 1288 D HN 0.319 nan 8.370 nan 0.000 0.491 1289 R N 3.344 123.885 120.500 0.068 0.000 2.371 1289 R HA 0.120 4.460 4.340 -0.000 0.000 0.312 1289 R C -0.166 176.167 176.300 0.054 0.000 0.980 1289 R CA -0.796 55.343 56.100 0.065 0.000 0.867 1289 R CB 0.683 31.024 30.300 0.068 0.000 1.163 1289 R HN 0.088 nan 8.270 nan 0.000 0.492 1290 K N 2.300 122.749 120.400 0.082 0.000 2.414 1290 K HA 0.243 4.563 4.320 -0.000 0.000 0.272 1290 K C -0.413 176.239 176.600 0.088 0.000 0.993 1290 K CA -0.177 56.189 56.287 0.132 0.000 0.964 1290 K CB 1.392 34.026 32.500 0.224 0.000 0.925 1290 K HN 0.304 nan 8.250 nan 0.000 0.487 1291 V N 2.734 122.647 119.914 -0.002 0.000 3.177 1291 V HA 0.118 4.238 4.120 -0.000 0.000 0.287 1291 V C -2.631 173.204 176.094 -0.432 0.000 1.465 1291 V CA -1.675 60.487 62.300 -0.230 0.000 1.020 1291 V CB 2.521 34.268 31.823 -0.127 0.000 1.152 1291 V HN 0.535 nan 8.190 nan 0.000 0.448 1292 P HA 0.105 nan 4.420 nan 0.000 0.258 1292 P C -0.230 176.927 177.300 -0.239 0.000 1.214 1292 P CA 0.697 63.486 63.100 -0.518 0.000 0.872 1292 P CB 0.295 31.733 31.700 -0.437 0.000 0.890 1293 S N 5.587 121.192 115.700 -0.158 0.000 2.584 1293 S HA 0.134 4.604 4.470 -0.000 0.000 0.270 1293 S C -0.742 173.816 174.600 -0.070 0.000 1.346 1293 S CA -1.299 56.853 58.200 -0.080 0.000 1.018 1293 S CB -0.031 63.148 63.200 -0.034 0.000 0.899 1293 S HN 0.301 nan 8.310 nan 0.000 0.542 1294 P HA -0.092 nan 4.420 nan 0.000 0.218 1294 P C 1.214 178.499 177.300 -0.026 0.000 1.149 1294 P CA 1.356 64.432 63.100 -0.039 0.000 0.817 1294 P CB -0.462 31.221 31.700 -0.027 0.000 0.785 1295 T N -2.736 111.810 114.554 -0.013 0.000 3.308 1295 T HA 0.289 4.638 4.350 -0.000 0.000 0.255 1295 T C 1.317 176.024 174.700 0.012 0.000 1.162 1295 T CA 1.084 63.186 62.100 0.004 0.000 1.031 1295 T CB -1.042 67.833 68.868 0.012 0.000 0.973 1295 T HN 0.350 nan 8.240 nan 0.000 0.544 1296 G N 1.396 110.193 108.800 -0.006 0.000 4.391 1296 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.210 1296 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.210 1296 G C -0.147 174.778 174.900 0.041 0.000 1.547 1296 G CA -0.117 44.987 45.100 0.007 0.000 1.103 1296 G HN 0.756 nan 8.290 nan 0.000 0.637 1297 E N 1.087 121.333 120.200 0.077 0.000 2.492 1297 E HA 0.343 4.692 4.350 -0.000 0.000 0.266 1297 E C -0.345 176.342 176.600 0.144 0.000 1.047 1297 E CA 0.151 56.633 56.400 0.136 0.000 0.968 1297 E CB 0.193 29.953 29.700 0.101 0.000 0.960 1297 E HN 0.466 nan 8.360 nan 0.000 0.452 1298 Y N 0.677 120.985 120.300 0.013 0.000 2.309 1298 Y HA 0.398 4.948 4.550 -0.000 0.000 0.327 1298 Y C 0.231 176.137 175.900 0.010 0.000 1.172 1298 Y CA -0.433 57.673 58.100 0.011 0.000 1.280 1298 Y CB 0.920 39.391 38.460 0.019 0.000 1.234 1298 Y HN 0.254 nan 8.280 nan 0.000 0.512 1299 V N 1.875 121.843 119.914 0.091 0.000 3.188 1299 V HA 0.303 4.422 4.120 -0.000 0.000 0.305 1299 V C -0.832 175.287 176.094 0.040 0.000 1.232 1299 V CA -2.107 60.230 62.300 0.062 0.000 1.043 1299 V CB 2.140 33.980 31.823 0.029 0.000 1.068 1299 V HN 0.481 nan 8.190 nan 0.000 0.439 1300 K N 2.146 122.566 120.400 0.034 0.000 2.361 1300 K HA 0.121 4.441 4.320 -0.000 0.000 0.283 1300 K C -0.020 176.581 176.600 0.002 0.000 1.078 1300 K CA 0.502 56.801 56.287 0.021 0.000 1.041 1300 K CB 0.256 32.765 32.500 0.015 0.000 0.932 1300 K HN 0.697 nan 8.250 nan 0.000 0.462 1301 E N 5.172 125.371 120.200 -0.001 0.000 3.651 1301 E HA 0.137 4.487 4.350 -0.000 0.000 0.220 1301 E C -2.353 174.235 176.600 -0.021 0.000 1.222 1301 E CA -1.926 54.464 56.400 -0.016 0.000 1.114 1301 E CB 0.628 30.315 29.700 -0.021 0.000 1.278 1301 E HN 0.345 nan 8.360 nan 0.000 0.412 1302 P HA -0.080 nan 4.420 nan 0.000 0.266 1302 P C -0.875 176.358 177.300 -0.112 0.000 1.193 1302 P CA 0.517 63.578 63.100 -0.064 0.000 0.770 1302 P CB 0.618 32.249 31.700 -0.116 0.000 0.836 1303 E N 1.201 121.354 120.200 -0.079 0.000 2.314 1303 E HA 0.401 4.751 4.350 -0.000 0.000 0.272 1303 E C -1.097 175.468 176.600 -0.058 0.000 0.884 1303 E CA -0.935 55.427 56.400 -0.063 0.000 0.753 1303 E CB 0.693 30.437 29.700 0.073 0.000 1.213 1303 E HN 0.314 nan 8.360 nan 0.000 0.432 1304 W N 1.738 123.064 121.300 0.043 0.000 2.148 1304 W HA 0.387 5.047 4.660 -0.000 0.000 0.347 1304 W C -0.301 176.197 176.519 -0.036 0.000 1.288 1304 W CA -0.151 57.182 57.345 -0.020 0.000 1.252 1304 W CB 0.802 30.252 29.460 -0.017 0.000 1.156 1304 W HN 0.257 nan 8.180 nan 0.000 0.580 1305 V N 3.581 123.602 119.914 0.178 0.000 2.969 1305 V HA 0.331 4.450 4.120 -0.000 0.000 0.304 1305 V C -0.534 175.504 176.094 -0.093 0.000 1.192 1305 V CA -1.196 61.082 62.300 -0.038 0.000 0.962 1305 V CB 1.900 33.588 31.823 -0.224 0.000 1.045 1305 V HN 0.273 nan 8.190 nan 0.000 0.428 1306 L N 3.423 124.586 121.223 -0.101 0.000 2.272 1306 L HA 0.599 4.939 4.340 -0.000 0.000 0.289 1306 L C -0.076 176.735 176.870 -0.099 0.000 1.032 1306 L CA -0.355 54.435 54.840 -0.084 0.000 0.810 1306 L CB 1.434 43.462 42.059 -0.052 0.000 1.205 1306 L HN 0.663 nan 8.230 nan 0.000 0.422 1307 E N 1.677 121.832 120.200 -0.075 0.000 2.179 1307 E HA 0.387 4.737 4.350 -0.000 0.000 0.275 1307 E C -0.570 176.010 176.600 -0.034 0.000 0.945 1307 E CA -0.454 55.915 56.400 -0.052 0.000 0.792 1307 E CB 2.741 32.426 29.700 -0.025 0.000 1.125 1307 E HN 0.431 nan 8.360 nan 0.000 0.397 1308 T N 0.316 114.850 114.554 -0.033 0.000 2.892 1308 T HA 0.167 4.517 4.350 -0.000 0.000 0.280 1308 T C -0.712 173.974 174.700 -0.024 0.000 1.004 1308 T CA -0.393 61.693 62.100 -0.024 0.000 0.950 1308 T CB 0.736 69.590 68.868 -0.023 0.000 1.309 1308 T HN 0.397 nan 8.240 nan 0.000 0.592 1309 D N -0.040 120.348 120.400 -0.020 0.000 3.060 1309 D HA 0.436 5.075 4.640 -0.000 0.000 0.326 1309 D C -0.311 175.977 176.300 -0.019 0.000 1.253 1309 D CA -0.036 53.951 54.000 -0.022 0.000 0.737 1309 D CB 0.066 40.853 40.800 -0.021 0.000 1.260 1309 D HN 0.871 nan 8.370 nan 0.000 0.542 1310 G N -0.745 108.041 108.800 -0.023 0.000 2.321 1310 G HA2 0.347 4.307 3.960 -0.000 0.000 0.298 1310 G HA3 0.347 4.307 3.960 -0.000 0.000 0.298 1310 G C -1.890 172.995 174.900 -0.025 0.000 1.385 1310 G CA -0.488 44.598 45.100 -0.023 0.000 0.856 1310 G HN 0.034 nan 8.290 nan 0.000 0.584 1311 V N 1.661 121.561 119.914 -0.024 0.000 2.532 1311 V HA 0.629 4.749 4.120 -0.000 0.000 0.294 1311 V C -0.859 175.226 176.094 -0.015 0.000 1.036 1311 V CA -0.986 61.302 62.300 -0.019 0.000 0.876 1311 V CB 1.635 33.450 31.823 -0.015 0.000 1.012 1311 V HN 0.825 nan 8.190 nan 0.000 0.432 1312 N N 3.378 122.071 118.700 -0.012 0.000 2.260 1312 N HA 0.558 5.298 4.740 -0.000 0.000 0.293 1312 N C -0.358 175.155 175.510 0.005 0.000 1.058 1312 N CA -0.391 52.654 53.050 -0.008 0.000 0.824 1312 N CB 2.769 41.244 38.487 -0.019 0.000 1.551 1312 N HN 0.527 nan 8.380 nan 0.000 0.475 1313 L N 2.995 124.227 121.223 0.014 0.000 2.777 1313 L HA 0.262 4.602 4.340 -0.000 0.000 0.172 1313 L C 2.127 179.014 176.870 0.029 0.000 1.179 1313 L CA 1.298 56.155 54.840 0.029 0.000 0.859 1313 L CB -1.055 41.029 42.059 0.042 0.000 1.269 1313 L HN 0.718 nan 8.230 nan 0.000 0.511 1314 S N -0.515 115.200 115.700 0.025 0.000 2.443 1314 S HA -0.313 4.157 4.470 -0.000 0.000 0.246 1314 S C 1.490 176.102 174.600 0.020 0.000 1.058 1314 S CA 2.114 60.328 58.200 0.022 0.000 1.028 1314 S CB -0.762 62.447 63.200 0.015 0.000 0.821 1314 S HN 0.693 nan 8.310 nan 0.000 0.484 1315 E N 0.342 120.551 120.200 0.016 0.000 2.152 1315 E HA 0.123 4.473 4.350 -0.000 0.000 0.195 1315 E C 1.778 178.389 176.600 0.019 0.000 0.934 1315 E CA 0.782 57.190 56.400 0.014 0.000 0.869 1315 E CB -0.090 29.613 29.700 0.005 0.000 0.842 1315 E HN 0.414 nan 8.360 nan 0.000 0.472 1316 V N 2.244 122.170 119.914 0.019 0.000 3.488 1316 V HA -0.125 3.995 4.120 -0.000 0.000 0.273 1316 V C 1.894 178.010 176.094 0.035 0.000 1.209 1316 V CA 0.970 63.284 62.300 0.024 0.000 1.179 1316 V CB -0.647 31.188 31.823 0.019 0.000 0.842 1316 V HN 0.272 nan 8.190 nan 0.000 0.515 1317 M N 1.136 120.759 119.600 0.038 0.000 2.412 1317 M HA -0.029 4.451 4.480 -0.000 0.000 0.263 1317 M C 1.928 178.255 176.300 0.045 0.000 1.122 1317 M CA 1.666 56.996 55.300 0.049 0.000 1.179 1317 M CB 0.207 32.837 32.600 0.051 0.000 1.335 1317 M HN 0.451 nan 8.290 nan 0.000 0.465 1318 T N -0.183 114.393 114.554 0.036 0.000 3.500 1318 T HA 0.279 4.629 4.350 -0.000 0.000 0.244 1318 T C -0.153 174.565 174.700 0.030 0.000 0.962 1318 T CA -0.440 61.679 62.100 0.032 0.000 0.932 1318 T CB -1.165 67.718 68.868 0.026 0.000 1.096 1318 T HN 0.078 nan 8.240 nan 0.000 0.617 1319 V N 4.193 124.128 119.914 0.034 0.000 2.394 1319 V HA 0.382 4.502 4.120 -0.000 0.000 0.282 1319 V C -1.953 174.163 176.094 0.037 0.000 1.031 1319 V CA -2.330 59.989 62.300 0.031 0.000 0.881 1319 V CB 1.466 33.305 31.823 0.028 0.000 0.982 1319 V HN 0.430 nan 8.190 nan 0.000 0.451 1320 P HA 0.172 nan 4.420 nan 0.000 0.260 1320 P C 0.673 178.000 177.300 0.045 0.000 1.207 1320 P CA 0.916 64.039 63.100 0.038 0.000 0.780 1320 P CB 0.574 32.290 31.700 0.027 0.000 0.789 1321 G N 2.994 111.837 108.800 0.071 0.000 2.273 1321 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.162 1321 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.162 1321 G C 0.005 174.970 174.900 0.108 0.000 1.006 1321 G CA -0.007 45.150 45.100 0.095 0.000 0.704 1321 G HN 0.616 nan 8.290 nan 0.000 0.487 1322 I N -2.635 117.992 120.570 0.094 0.000 3.133 1322 I HA 0.783 4.953 4.170 -0.000 0.000 0.311 1322 I C -1.067 175.115 176.117 0.108 0.000 1.072 1322 I CA -1.172 60.192 61.300 0.107 0.000 1.015 1322 I CB 2.132 40.188 38.000 0.092 0.000 1.233 1322 I HN -0.100 nan 8.210 nan 0.000 0.473 1323 D N 3.730 124.209 120.400 0.131 0.000 2.514 1323 D HA 0.286 4.926 4.640 -0.000 0.000 0.267 1323 D C -1.989 174.377 176.300 0.110 0.000 1.165 1323 D CA -1.822 52.244 54.000 0.111 0.000 0.958 1323 D CB 0.850 41.721 40.800 0.119 0.000 0.992 1323 D HN 0.331 nan 8.370 nan 0.000 0.506 1324 P HA -0.025 nan 4.420 nan 0.000 0.310 1324 P C 0.482 177.827 177.300 0.074 0.000 1.512 1324 P CA 0.444 63.594 63.100 0.084 0.000 0.753 1324 P CB -0.033 31.706 31.700 0.064 0.000 1.608 1325 T N -1.498 113.100 114.554 0.074 0.000 3.087 1325 T HA 0.240 4.589 4.350 -0.000 0.000 0.283 1325 T C 1.276 176.005 174.700 0.049 0.000 0.956 1325 T CA -0.047 62.082 62.100 0.048 0.000 0.894 1325 T CB 0.462 69.344 68.868 0.022 0.000 1.160 1325 T HN 0.163 nan 8.240 nan 0.000 0.532 1326 R N -0.159 120.403 120.500 0.102 0.000 2.591 1326 R HA 0.405 4.744 4.340 -0.000 0.000 0.288 1326 R C 0.516 177.023 176.300 0.344 0.000 0.947 1326 R CA -0.256 55.917 56.100 0.121 0.000 1.085 1326 R CB 0.821 31.103 30.300 -0.030 0.000 1.618 1326 R HN 0.279 nan 8.270 nan 0.000 0.524 1327 I N 1.449 122.206 120.570 0.312 0.000 3.058 1327 I HA -0.163 4.007 4.170 -0.000 0.000 0.299 1327 I C -1.038 175.307 176.117 0.381 0.000 1.238 1327 I CA 0.770 62.257 61.300 0.312 0.000 1.423 1327 I CB 0.351 38.465 38.000 0.191 0.000 1.330 1327 I HN 0.071 nan 8.210 nan 0.000 0.589 1328 Y N 5.217 125.617 120.300 0.166 0.000 2.333 1328 Y HA 0.330 4.880 4.550 -0.000 0.000 0.319 1328 Y C -1.186 174.777 175.900 0.105 0.000 1.200 1328 Y CA -0.856 57.333 58.100 0.148 0.000 1.084 1328 Y CB 1.116 39.695 38.460 0.199 0.000 1.268 1328 Y HN 0.575 nan 8.280 nan 0.000 0.422 1329 T N 5.271 119.610 114.554 -0.357 0.000 2.855 1329 T HA 0.194 4.544 4.350 -0.000 0.000 0.281 1329 T C 0.826 175.117 174.700 -0.681 0.000 1.007 1329 T CA -0.490 61.363 62.100 -0.411 0.000 1.009 1329 T CB 0.879 69.677 68.868 -0.116 0.000 0.983 1329 T HN 0.700 nan 8.240 nan 0.000 0.455 1330 N N 0.828 119.215 118.700 -0.520 0.000 2.550 1330 N HA -0.047 4.692 4.740 -0.000 0.000 0.186 1330 N C 0.756 176.225 175.510 -0.068 0.000 1.110 1330 N CA 0.132 52.983 53.050 -0.332 0.000 0.912 1330 N CB 0.105 38.470 38.487 -0.202 0.000 0.968 1330 N HN 0.321 nan 8.380 nan 0.000 0.448 1331 S N 0.688 116.387 115.700 -0.002 0.000 2.700 1331 S HA 0.100 4.570 4.470 -0.000 0.000 0.321 1331 S C 0.871 175.681 174.600 0.351 0.000 1.161 1331 S CA -0.896 57.416 58.200 0.186 0.000 1.078 1331 S CB -1.128 62.140 63.200 0.114 0.000 1.302 1331 S HN 0.401 nan 8.310 nan 0.000 0.540 1332 F N 3.458 123.449 119.950 0.068 0.000 2.161 1332 F HA -0.105 4.422 4.527 -0.000 0.000 0.300 1332 F C 1.691 177.536 175.800 0.074 0.000 1.089 1332 F CA 0.220 58.283 58.000 0.104 0.000 1.282 1332 F CB -0.481 38.584 39.000 0.110 0.000 1.010 1332 F HN 0.407 nan 8.300 nan 0.000 0.485 1333 I N 2.096 122.617 120.570 -0.082 0.000 2.113 1333 I HA -0.338 3.832 4.170 -0.000 0.000 0.242 1333 I C 2.190 178.276 176.117 -0.052 0.000 1.057 1333 I CA 1.821 62.974 61.300 -0.245 0.000 1.314 1333 I CB -1.179 36.739 38.000 -0.137 0.000 1.022 1333 I HN 0.291 nan 8.210 nan 0.000 0.408 1334 D N 0.711 121.135 120.400 0.042 0.000 2.088 1334 D HA -0.158 4.482 4.640 -0.000 0.000 0.196 1334 D C 2.329 178.669 176.300 0.067 0.000 0.983 1334 D CA 1.159 55.188 54.000 0.048 0.000 0.846 1334 D CB -0.399 40.438 40.800 0.061 0.000 0.992 1334 D HN 0.275 nan 8.370 nan 0.000 0.448 1335 I N 1.311 121.954 120.570 0.121 0.000 2.188 1335 I HA -0.372 3.798 4.170 -0.000 0.000 0.246 1335 I C 2.644 178.818 176.117 0.096 0.000 1.033 1335 I CA 1.396 62.782 61.300 0.142 0.000 1.307 1335 I CB -0.376 37.763 38.000 0.231 0.000 1.005 1335 I HN 0.151 nan 8.210 nan 0.000 0.421 1336 M N 0.627 120.269 119.600 0.070 0.000 2.159 1336 M HA -0.244 4.236 4.480 -0.000 0.000 0.263 1336 M C 2.027 178.341 176.300 0.022 0.000 1.063 1336 M CA 1.972 57.293 55.300 0.035 0.000 1.110 1336 M CB -0.305 32.291 32.600 -0.008 0.000 1.374 1336 M HN 0.252 nan 8.290 nan 0.000 0.411 1337 E N -0.547 119.661 120.200 0.014 0.000 2.150 1337 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 1337 E C 1.961 178.574 176.600 0.022 0.000 0.985 1337 E CA 1.324 57.730 56.400 0.010 0.000 0.814 1337 E CB 0.048 29.750 29.700 0.003 0.000 0.752 1337 E HN 0.439 nan 8.360 nan 0.000 0.466 1338 V N 0.698 120.633 119.914 0.035 0.000 2.575 1338 V HA -0.057 4.063 4.120 -0.000 0.000 0.242 1338 V C 1.825 177.945 176.094 0.043 0.000 1.045 1338 V CA 0.910 63.233 62.300 0.039 0.000 1.065 1338 V CB -0.015 31.837 31.823 0.049 0.000 0.717 1338 V HN 0.196 nan 8.190 nan 0.000 0.467 1339 L N 0.560 121.815 121.223 0.053 0.000 2.667 1339 L HA 0.564 4.904 4.340 -0.000 0.000 0.232 1339 L C 0.864 177.759 176.870 0.042 0.000 1.138 1339 L CA 0.495 55.365 54.840 0.051 0.000 0.921 1339 L CB -0.150 41.949 42.059 0.067 0.000 1.180 1339 L HN 0.471 nan 8.230 nan 0.000 0.487 1340 G N 0.891 109.713 108.800 0.037 0.000 3.322 1340 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.686 1340 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.686 1340 G C 0.442 175.363 174.900 0.036 0.000 1.015 1340 G CA -0.141 44.978 45.100 0.032 0.000 0.826 1340 G HN 0.163 nan 8.290 nan 0.000 0.538 1341 I N 0.698 121.286 120.570 0.030 0.000 2.247 1341 I HA -0.356 3.814 4.170 -0.000 0.000 0.249 1341 I C 2.516 178.659 176.117 0.045 0.000 1.027 1341 I CA 2.792 64.111 61.300 0.033 0.000 1.316 1341 I CB 0.102 38.118 38.000 0.027 0.000 1.007 1341 I HN 0.782 nan 8.210 nan 0.000 0.430 1342 E N 0.813 121.038 120.200 0.042 0.000 2.013 1342 E HA -0.301 4.049 4.350 -0.000 0.000 0.202 1342 E C 2.222 178.851 176.600 0.049 0.000 1.018 1342 E CA 1.768 58.194 56.400 0.043 0.000 0.834 1342 E CB -0.768 28.953 29.700 0.034 0.000 0.770 1342 E HN 0.701 nan 8.360 nan 0.000 0.459 1343 A N 1.015 123.863 122.820 0.047 0.000 1.986 1343 A HA -0.171 4.149 4.320 -0.000 0.000 0.220 1343 A C 2.413 180.050 177.584 0.087 0.000 1.171 1343 A CA 2.274 54.344 52.037 0.055 0.000 0.640 1343 A CB -1.145 17.889 19.000 0.058 0.000 0.811 1343 A HN 0.365 nan 8.150 nan 0.000 0.451 1344 G N -0.616 108.239 108.800 0.091 0.000 2.480 1344 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.216 1344 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.216 1344 G C 1.694 176.685 174.900 0.152 0.000 1.200 1344 G CA 1.079 46.253 45.100 0.123 0.000 0.782 1344 G HN 0.573 nan 8.290 nan 0.000 0.554 1345 R N 0.618 121.187 120.500 0.115 0.000 2.112 1345 R HA -0.184 4.156 4.340 -0.000 0.000 0.242 1345 R C 2.876 179.260 176.300 0.141 0.000 1.137 1345 R CA 1.923 58.098 56.100 0.125 0.000 0.944 1345 R CB -0.600 29.749 30.300 0.082 0.000 0.857 1345 R HN 0.299 nan 8.270 nan 0.000 0.435 1346 A N 0.410 123.285 122.820 0.093 0.000 1.927 1346 A HA -0.249 4.071 4.320 -0.000 0.000 0.220 1346 A C 2.339 179.993 177.584 0.117 0.000 1.185 1346 A CA 2.240 54.314 52.037 0.062 0.000 0.639 1346 A CB -0.873 18.134 19.000 0.012 0.000 0.820 1346 A HN 0.630 nan 8.150 nan 0.000 0.451 1347 A N -0.663 122.250 122.820 0.154 0.000 1.840 1347 A HA 0.058 4.378 4.320 -0.000 0.000 0.214 1347 A C 2.098 179.827 177.584 0.243 0.000 1.198 1347 A CA 1.636 53.807 52.037 0.222 0.000 0.608 1347 A CB -0.860 18.362 19.000 0.370 0.000 0.839 1347 A HN 0.886 nan 8.150 nan 0.000 0.443 1348 L N -1.000 120.403 121.223 0.299 0.000 2.034 1348 L HA -0.272 4.068 4.340 -0.000 0.000 0.217 1348 L C 2.267 179.217 176.870 0.133 0.000 1.077 1348 L CA 2.902 57.900 54.840 0.263 0.000 0.769 1348 L CB -1.233 41.055 42.059 0.381 0.000 0.890 1348 L HN 0.577 nan 8.230 nan 0.000 0.435 1349 Y N 0.460 120.789 120.300 0.048 0.000 2.060 1349 Y HA -0.347 4.203 4.550 -0.000 0.000 0.276 1349 Y C 2.829 178.753 175.900 0.040 0.000 1.127 1349 Y CA 2.566 60.664 58.100 -0.003 0.000 1.104 1349 Y CB -0.465 37.952 38.460 -0.071 0.000 0.983 1349 Y HN 0.281 nan 8.280 nan 0.000 0.483 1350 K N 0.053 120.671 120.400 0.364 0.000 2.107 1350 K HA -0.345 3.975 4.320 -0.000 0.000 0.211 1350 K C 2.050 178.738 176.600 0.147 0.000 1.049 1350 K CA 2.277 58.727 56.287 0.272 0.000 0.927 1350 K CB -0.323 32.284 32.500 0.178 0.000 0.714 1350 K HN 0.401 nan 8.250 nan 0.000 0.452 1351 E N -0.276 119.974 120.200 0.083 0.000 2.107 1351 E HA -0.089 4.261 4.350 -0.000 0.000 0.191 1351 E C 1.746 178.293 176.600 -0.088 0.000 0.982 1351 E CA 1.096 57.495 56.400 -0.001 0.000 0.809 1351 E CB 0.106 29.742 29.700 -0.106 0.000 0.756 1351 E HN 0.201 nan 8.360 nan 0.000 0.459 1352 V N 0.309 120.142 119.914 -0.135 0.000 2.323 1352 V HA -0.221 3.899 4.120 -0.000 0.000 0.244 1352 V C 2.050 178.036 176.094 -0.180 0.000 1.041 1352 V CA 1.906 64.104 62.300 -0.169 0.000 1.025 1352 V CB -0.767 30.940 31.823 -0.192 0.000 0.656 1352 V HN 0.368 nan 8.190 nan 0.000 0.451 1353 Y N 2.062 122.136 120.300 -0.377 0.000 2.081 1353 Y HA -0.262 4.288 4.550 -0.000 0.000 0.280 1353 Y C 2.421 178.237 175.900 -0.140 0.000 1.163 1353 Y CA 2.089 59.993 58.100 -0.326 0.000 1.135 1353 Y CB -0.513 37.681 38.460 -0.444 0.000 0.970 1353 Y HN 0.255 nan 8.280 nan 0.000 0.498 1354 N N -0.041 118.574 118.700 -0.141 0.000 2.585 1354 N HA -0.115 4.625 4.740 -0.000 0.000 0.188 1354 N C 1.592 176.995 175.510 -0.179 0.000 1.102 1354 N CA 1.230 54.179 53.050 -0.167 0.000 0.920 1354 N CB 0.096 38.594 38.487 0.019 0.000 0.963 1354 N HN 0.341 nan 8.380 nan 0.000 0.447 1355 V N 0.390 120.197 119.914 -0.179 0.000 2.992 1355 V HA 0.038 4.157 4.120 -0.000 0.000 0.250 1355 V C 2.031 178.028 176.094 -0.161 0.000 1.090 1355 V CA 0.586 62.799 62.300 -0.146 0.000 1.101 1355 V CB 0.075 31.821 31.823 -0.127 0.000 0.743 1355 V HN 0.131 nan 8.190 nan 0.000 0.468 1356 I N 0.779 121.220 120.570 -0.215 0.000 2.339 1356 I HA -0.011 4.158 4.170 -0.000 0.000 0.245 1356 I C 2.576 178.566 176.117 -0.213 0.000 1.096 1356 I CA 1.249 62.434 61.300 -0.191 0.000 1.408 1356 I CB -0.523 37.362 38.000 -0.192 0.000 1.092 1356 I HN 0.206 nan 8.210 nan 0.000 0.423 1357 A N 0.776 123.378 122.820 -0.364 0.000 2.121 1357 A HA -0.146 4.173 4.320 -0.000 0.000 0.218 1357 A C 2.282 179.747 177.584 -0.199 0.000 1.154 1357 A CA 1.665 53.491 52.037 -0.352 0.000 0.679 1357 A CB -0.711 17.872 19.000 -0.695 0.000 0.795 1357 A HN 0.519 nan 8.150 nan 0.000 0.458 1358 S N -1.484 114.116 115.700 -0.166 0.000 2.603 1358 S HA 0.012 4.482 4.470 -0.000 0.000 0.220 1358 S C 0.848 175.409 174.600 -0.065 0.000 0.967 1358 S CA 0.774 58.916 58.200 -0.096 0.000 0.920 1358 S CB 0.057 63.208 63.200 -0.082 0.000 0.773 1358 S HN 0.468 nan 8.310 nan 0.000 0.529 1359 D N 0.084 120.441 120.400 -0.073 0.000 2.503 1359 D HA 0.253 4.893 4.640 -0.000 0.000 0.218 1359 D C 1.415 177.697 176.300 -0.031 0.000 1.183 1359 D CA 0.588 54.562 54.000 -0.044 0.000 0.827 1359 D CB 0.541 41.312 40.800 -0.048 0.000 1.034 1359 D HN 0.474 nan 8.370 nan 0.000 0.510 1360 G N 0.704 109.482 108.800 -0.037 0.000 2.304 1360 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.252 1360 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.252 1360 G C 0.591 175.495 174.900 0.006 0.000 1.014 1360 G CA 0.497 45.588 45.100 -0.015 0.000 0.619 1360 G HN 0.359 nan 8.290 nan 0.000 0.525 1361 S N 0.286 115.984 115.700 -0.003 0.000 2.572 1361 S HA 0.503 4.973 4.470 -0.000 0.000 0.279 1361 S C -0.413 174.233 174.600 0.075 0.000 1.341 1361 S CA 0.023 58.236 58.200 0.022 0.000 1.043 1361 S CB 1.221 64.409 63.200 -0.020 0.000 0.887 1361 S HN 0.767 nan 8.310 nan 0.000 0.516 1362 Y N 2.566 122.854 120.300 -0.020 0.000 2.364 1362 Y HA 0.626 5.175 4.550 -0.000 0.000 0.340 1362 Y C -1.026 174.901 175.900 0.044 0.000 0.975 1362 Y CA -1.101 57.007 58.100 0.014 0.000 1.089 1362 Y CB 0.737 39.216 38.460 0.032 0.000 1.192 1362 Y HN 0.386 nan 8.280 nan 0.000 0.454 1363 V N 5.724 125.352 119.914 -0.478 0.000 2.823 1363 V HA 0.346 4.465 4.120 -0.000 0.000 0.312 1363 V C -0.616 175.194 176.094 -0.472 0.000 1.072 1363 V CA -1.401 60.633 62.300 -0.442 0.000 0.937 1363 V CB 2.052 33.798 31.823 -0.128 0.000 1.013 1363 V HN 0.855 nan 8.190 nan 0.000 0.430 1364 N N 1.037 119.619 118.700 -0.197 0.000 2.488 1364 N HA 0.171 4.911 4.740 -0.000 0.000 0.274 1364 N C 0.873 176.489 175.510 0.177 0.000 1.111 1364 N CA -0.343 52.725 53.050 0.030 0.000 0.974 1364 N CB 0.755 39.277 38.487 0.059 0.000 1.089 1364 N HN 0.769 nan 8.380 nan 0.000 0.465 1365 Y N 5.060 125.449 120.300 0.148 0.000 1.949 1365 Y HA -0.494 4.055 4.550 -0.000 0.000 0.232 1365 Y C 2.356 178.280 175.900 0.040 0.000 1.205 1365 Y CA 2.936 61.139 58.100 0.171 0.000 1.037 1365 Y CB -0.218 38.309 38.460 0.111 0.000 0.849 1365 Y HN 0.706 nan 8.280 nan 0.000 0.517 1366 R N -1.059 119.579 120.500 0.230 0.000 2.234 1366 R HA -0.326 4.014 4.340 -0.000 0.000 0.262 1366 R C 1.823 177.964 176.300 -0.265 0.000 1.150 1366 R CA 2.072 58.086 56.100 -0.144 0.000 0.981 1366 R CB -1.471 28.536 30.300 -0.489 0.000 0.899 1366 R HN 0.549 nan 8.270 nan 0.000 0.458 1367 H N 0.793 119.855 119.070 -0.014 0.000 2.269 1367 H HA -0.018 4.538 4.556 -0.000 0.000 0.299 1367 H C 2.350 177.644 175.328 -0.056 0.000 1.058 1367 H CA 1.997 58.027 56.048 -0.030 0.000 1.246 1367 H CB -0.554 29.187 29.762 -0.034 0.000 1.376 1367 H HN 0.168 nan 8.280 nan 0.000 0.503 1368 M N 0.638 120.275 119.600 0.061 0.000 2.089 1368 M HA -0.231 4.249 4.480 -0.000 0.000 0.257 1368 M C 2.712 178.998 176.300 -0.023 0.000 1.071 1368 M CA 1.947 57.220 55.300 -0.045 0.000 1.096 1368 M CB -0.435 32.041 32.600 -0.206 0.000 1.330 1368 M HN 0.337 nan 8.290 nan 0.000 0.403 1369 A N 0.137 122.921 122.820 -0.060 0.000 1.859 1369 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 1369 A C 2.127 179.691 177.584 -0.034 0.000 1.209 1369 A CA 2.186 54.163 52.037 -0.100 0.000 0.639 1369 A CB -1.262 17.563 19.000 -0.293 0.000 0.835 1369 A HN 0.484 nan 8.150 nan 0.000 0.450 1370 L N -0.749 120.447 121.223 -0.045 0.000 1.997 1370 L HA -0.217 4.123 4.340 -0.000 0.000 0.216 1370 L C 2.307 179.172 176.870 -0.009 0.000 1.074 1370 L CA 2.551 57.379 54.840 -0.020 0.000 0.763 1370 L CB -0.719 41.341 42.059 0.002 0.000 0.890 1370 L HN 0.457 nan 8.230 nan 0.000 0.434 1371 L N -1.004 120.214 121.223 -0.009 0.000 1.955 1371 L HA -0.173 4.167 4.340 -0.000 0.000 0.213 1371 L C 2.482 179.354 176.870 0.003 0.000 1.072 1371 L CA 2.235 57.063 54.840 -0.021 0.000 0.755 1371 L CB -1.311 40.728 42.059 -0.033 0.000 0.888 1371 L HN 0.139 nan 8.230 nan 0.000 0.432 1372 V N 0.881 120.809 119.914 0.024 0.000 2.252 1372 V HA -0.436 3.684 4.120 -0.000 0.000 0.255 1372 V C 2.475 178.602 176.094 0.055 0.000 1.071 1372 V CA 2.346 64.685 62.300 0.064 0.000 1.050 1372 V CB -0.962 30.927 31.823 0.109 0.000 0.654 1372 V HN 0.567 nan 8.190 nan 0.000 0.448 1373 D N -0.257 120.163 120.400 0.033 0.000 2.104 1373 D HA -0.142 4.498 4.640 -0.000 0.000 0.194 1373 D C 2.138 178.446 176.300 0.013 0.000 0.994 1373 D CA 1.780 55.793 54.000 0.022 0.000 0.830 1373 D CB -0.281 40.522 40.800 0.006 0.000 0.959 1373 D HN 0.420 nan 8.370 nan 0.000 0.452 1374 V N 1.181 121.097 119.914 0.004 0.000 2.407 1374 V HA -0.250 3.870 4.120 -0.000 0.000 0.248 1374 V C 2.560 178.667 176.094 0.021 0.000 1.055 1374 V CA 1.359 63.659 62.300 -0.001 0.000 1.049 1374 V CB -0.470 31.338 31.823 -0.025 0.000 0.662 1374 V HN 0.161 nan 8.190 nan 0.000 0.455 1375 M N -0.405 119.215 119.600 0.034 0.000 2.099 1375 M HA -0.161 4.318 4.480 -0.000 0.000 0.262 1375 M C 2.447 178.777 176.300 0.051 0.000 1.067 1375 M CA 2.310 57.645 55.300 0.057 0.000 1.124 1375 M CB -0.587 32.060 32.600 0.078 0.000 1.353 1375 M HN 0.418 nan 8.290 nan 0.000 0.410 1376 T N -0.094 114.489 114.554 0.048 0.000 2.701 1376 T HA -0.144 4.206 4.350 -0.000 0.000 0.263 1376 T C 1.837 176.555 174.700 0.031 0.000 1.040 1376 T CA 2.377 64.501 62.100 0.041 0.000 1.147 1376 T CB -0.479 68.421 68.868 0.052 0.000 0.865 1376 T HN 0.627 nan 8.240 nan 0.000 0.426 1377 T N 0.579 115.147 114.554 0.024 0.000 2.653 1377 T HA -0.291 4.058 4.350 -0.000 0.000 0.267 1377 T C 1.859 176.570 174.700 0.018 0.000 1.037 1377 T CA 1.895 64.004 62.100 0.015 0.000 1.159 1377 T CB -0.974 67.889 68.868 -0.009 0.000 0.859 1377 T HN 0.500 nan 8.240 nan 0.000 0.449 1378 Q N 1.319 121.132 119.800 0.022 0.000 2.591 1378 Q HA 0.163 4.503 4.340 -0.000 0.000 0.219 1378 Q C 1.754 177.768 176.000 0.023 0.000 0.981 1378 Q CA 0.589 56.406 55.803 0.024 0.000 0.945 1378 Q CB -0.546 28.211 28.738 0.032 0.000 0.985 1378 Q HN 0.935 nan 8.270 nan 0.000 0.542 1379 G N -1.813 107.000 108.800 0.022 0.000 2.436 1379 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.204 1379 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.204 1379 G C 0.307 175.215 174.900 0.014 0.000 1.026 1379 G CA -0.256 44.855 45.100 0.020 0.000 0.658 1379 G HN 0.579 nan 8.290 nan 0.000 0.499 1380 G N -0.689 108.117 108.800 0.010 0.000 3.310 1380 G HA2 0.583 4.543 3.960 -0.000 0.000 0.174 1380 G HA3 0.583 4.543 3.960 -0.000 0.000 0.174 1380 G C -0.852 174.042 174.900 -0.011 0.000 1.097 1380 G CA -0.383 44.715 45.100 -0.004 0.000 0.795 1380 G HN 0.689 nan 8.290 nan 0.000 0.670 1381 L N 2.196 123.397 121.223 -0.036 0.000 2.426 1381 L HA 0.347 4.686 4.340 -0.000 0.000 0.255 1381 L C -0.196 176.670 176.870 -0.006 0.000 1.080 1381 L CA -0.273 54.536 54.840 -0.051 0.000 0.960 1381 L CB 1.048 43.003 42.059 -0.174 0.000 1.326 1381 L HN 0.252 nan 8.230 nan 0.000 0.441 1382 T N 1.213 115.789 114.554 0.036 0.000 2.738 1382 T HA 0.118 4.467 4.350 -0.000 0.000 0.293 1382 T C 0.661 175.427 174.700 0.111 0.000 0.913 1382 T CA -0.185 61.959 62.100 0.073 0.000 1.103 1382 T CB 0.576 69.496 68.868 0.087 0.000 0.880 1382 T HN 0.621 nan 8.240 nan 0.000 0.526 1383 S N 2.686 118.460 115.700 0.124 0.000 2.585 1383 S HA 0.184 4.654 4.470 -0.000 0.000 0.273 1383 S C 0.530 175.283 174.600 0.254 0.000 1.339 1383 S CA -0.951 57.347 58.200 0.163 0.000 1.028 1383 S CB 0.652 63.945 63.200 0.155 0.000 0.906 1383 S HN 0.398 nan 8.310 nan 0.000 0.528 1384 V N 2.836 122.899 119.914 0.248 0.000 1.973 1384 V HA 0.330 4.449 4.120 -0.000 0.000 0.255 1384 V C 0.613 176.980 176.094 0.455 0.000 1.605 1384 V CA 0.138 62.645 62.300 0.345 0.000 1.542 1384 V CB -1.279 30.585 31.823 0.069 0.000 1.504 1384 V HN 1.013 nan 8.190 nan 0.000 0.505 1385 T N 1.035 115.843 114.554 0.423 0.000 2.802 1385 T HA 0.249 4.599 4.350 -0.000 0.000 0.311 1385 T C 1.006 175.675 174.700 -0.050 0.000 1.405 1385 T CA -0.667 61.582 62.100 0.248 0.000 1.016 1385 T CB 1.852 70.831 68.868 0.184 0.000 1.352 1385 T HN 0.421 nan 8.240 nan 0.000 0.498 1386 R N 0.639 121.072 120.500 -0.113 0.000 2.228 1386 R HA -0.172 4.168 4.340 -0.000 0.000 0.259 1386 R C 0.302 176.352 176.300 -0.416 0.000 1.183 1386 R CA 1.831 57.704 56.100 -0.378 0.000 1.002 1386 R CB -0.281 29.678 30.300 -0.567 0.000 0.879 1386 R HN 0.583 nan 8.270 nan 0.000 0.467 1387 H N -1.238 117.805 119.070 -0.045 0.000 2.577 1387 H HA 0.318 4.873 4.556 -0.000 0.000 0.306 1387 H C 0.617 175.932 175.328 -0.022 0.000 1.109 1387 H CA 0.540 56.571 56.048 -0.029 0.000 1.063 1387 H CB 0.571 30.337 29.762 0.005 0.000 1.535 1387 H HN 0.420 nan 8.280 nan 0.000 0.532 1388 G N 0.044 108.831 108.800 -0.022 0.000 3.400 1388 G HA2 0.063 4.022 3.960 -0.000 0.000 0.167 1388 G HA3 0.063 4.022 3.960 -0.000 0.000 0.167 1388 G C 0.767 175.641 174.900 -0.043 0.000 1.196 1388 G CA -0.153 44.966 45.100 0.032 0.000 1.174 1388 G HN 0.181 nan 8.290 nan 0.000 0.681 1389 F N 1.696 121.678 119.950 0.053 0.000 2.111 1389 F HA -0.180 4.346 4.527 -0.000 0.000 0.300 1389 F C 1.547 177.378 175.800 0.052 0.000 1.088 1389 F CA 1.873 59.891 58.000 0.029 0.000 1.243 1389 F CB -0.751 38.240 39.000 -0.015 0.000 0.996 1389 F HN 0.256 nan 8.300 nan 0.000 0.483 1390 N N 0.166 118.295 118.700 -0.953 0.000 2.567 1390 N HA -0.012 4.728 4.740 -0.000 0.000 0.195 1390 N C 0.767 176.175 175.510 -0.169 0.000 1.242 1390 N CA 0.225 52.991 53.050 -0.473 0.000 0.884 1390 N CB -0.197 38.012 38.487 -0.464 0.000 1.007 1390 N HN 0.395 nan 8.380 nan 0.000 0.450 1391 R N -0.922 119.515 120.500 -0.105 0.000 2.590 1391 R HA 0.163 4.503 4.340 -0.000 0.000 0.410 1391 R C -0.094 176.216 176.300 0.016 0.000 1.010 1391 R CA -0.096 55.989 56.100 -0.025 0.000 1.155 1391 R CB 0.563 30.858 30.300 -0.008 0.000 1.455 1391 R HN 0.188 nan 8.270 nan 0.000 0.567 1392 S N 0.070 115.789 115.700 0.033 0.000 2.623 1392 S HA 0.168 4.638 4.470 -0.000 0.000 0.278 1392 S C 0.812 175.436 174.600 0.039 0.000 1.148 1392 S CA -0.806 57.421 58.200 0.045 0.000 1.028 1392 S CB 0.483 63.721 63.200 0.064 0.000 1.145 1392 S HN 0.160 nan 8.310 nan 0.000 0.523 1393 N N 0.685 119.406 118.700 0.035 0.000 2.421 1393 N HA 0.061 4.801 4.740 -0.000 0.000 0.201 1393 N C -0.070 175.455 175.510 0.025 0.000 1.198 1393 N CA 0.103 53.168 53.050 0.026 0.000 0.838 1393 N CB -0.757 37.742 38.487 0.020 0.000 1.011 1393 N HN 0.463 nan 8.380 nan 0.000 0.463 1394 T N 0.403 114.979 114.554 0.037 0.000 2.680 1394 T HA 0.227 4.577 4.350 -0.000 0.000 0.314 1394 T C 1.325 176.042 174.700 0.028 0.000 1.045 1394 T CA -0.100 62.022 62.100 0.037 0.000 1.025 1394 T CB 0.433 69.338 68.868 0.062 0.000 1.000 1394 T HN 0.271 nan 8.240 nan 0.000 0.535 1395 G N -0.667 108.145 108.800 0.021 0.000 2.771 1395 G HA2 0.353 4.312 3.960 -0.000 0.000 0.242 1395 G HA3 0.353 4.312 3.960 -0.000 0.000 0.242 1395 G C 1.047 175.971 174.900 0.040 0.000 1.233 1395 G CA -0.150 44.954 45.100 0.007 0.000 0.858 1395 G HN 0.844 nan 8.290 nan 0.000 0.591 1396 A N 0.321 123.172 122.820 0.051 0.000 1.911 1396 A HA 0.154 4.473 4.320 -0.000 0.000 0.212 1396 A C 2.403 180.090 177.584 0.172 0.000 1.189 1396 A CA 0.595 52.720 52.037 0.147 0.000 0.639 1396 A CB -0.293 18.886 19.000 0.298 0.000 0.839 1396 A HN 0.534 nan 8.150 nan 0.000 0.449 1397 L N -0.740 120.588 121.223 0.174 0.000 2.079 1397 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 1397 L C 2.735 179.663 176.870 0.096 0.000 1.081 1397 L CA 1.895 56.826 54.840 0.151 0.000 0.752 1397 L CB -0.495 41.639 42.059 0.126 0.000 0.896 1397 L HN 0.651 nan 8.230 nan 0.000 0.433 1398 M N 0.172 119.821 119.600 0.081 0.000 2.315 1398 M HA -0.260 4.220 4.480 -0.000 0.000 0.264 1398 M C 2.389 178.754 176.300 0.109 0.000 1.075 1398 M CA 1.884 57.232 55.300 0.079 0.000 1.093 1398 M CB -0.260 32.380 32.600 0.066 0.000 1.251 1398 M HN -0.045 nan 8.290 nan 0.000 0.449 1399 R N -0.141 120.427 120.500 0.114 0.000 2.185 1399 R HA -0.231 4.108 4.340 -0.000 0.000 0.247 1399 R C 2.497 178.874 176.300 0.128 0.000 1.159 1399 R CA 1.567 57.749 56.100 0.138 0.000 0.988 1399 R CB -1.291 29.063 30.300 0.089 0.000 0.871 1399 R HN 0.764 nan 8.270 nan 0.000 0.458 1400 C N 0.891 120.245 119.300 0.089 0.000 2.432 1400 C HA 0.016 4.476 4.460 -0.000 0.000 0.282 1400 C C 1.986 177.012 174.990 0.060 0.000 1.388 1400 C CA 0.671 59.717 59.018 0.046 0.000 1.777 1400 C CB -0.869 26.888 27.740 0.029 0.000 1.882 1400 C HN 0.436 nan 8.230 nan 0.000 0.520 1401 S N -0.928 114.839 115.700 0.111 0.000 2.699 1401 S HA 0.429 4.899 4.470 -0.000 0.000 0.251 1401 S C -0.418 174.331 174.600 0.249 0.000 1.179 1401 S CA -0.426 57.850 58.200 0.127 0.000 1.200 1401 S CB -0.919 62.343 63.200 0.104 0.000 0.848 1401 S HN 0.863 nan 8.310 nan 0.000 0.472 1402 F N 0.729 120.696 119.950 0.028 0.000 3.130 1402 F HA 0.255 4.781 4.527 -0.000 0.000 0.349 1402 F C 0.084 175.891 175.800 0.011 0.000 1.158 1402 F CA -0.607 57.422 58.000 0.049 0.000 1.274 1402 F CB -0.102 38.960 39.000 0.104 0.000 1.594 1402 F HN 0.245 nan 8.300 nan 0.000 0.720 1403 E N 2.615 122.505 120.200 -0.517 0.000 3.948 1403 E HA -0.313 4.037 4.350 -0.000 0.000 0.200 1403 E C 0.346 176.775 176.600 -0.284 0.000 1.198 1403 E CA 1.811 57.887 56.400 -0.539 0.000 2.232 1403 E CB -0.823 28.312 29.700 -0.942 0.000 1.824 1403 E HN 0.827 nan 8.360 nan 0.000 0.346 1404 E N 2.179 122.231 120.200 -0.246 0.000 2.359 1404 E HA 0.116 4.465 4.350 -0.000 0.000 0.187 1404 E C 1.017 177.549 176.600 -0.113 0.000 1.081 1404 E CA 0.612 56.924 56.400 -0.146 0.000 0.929 1404 E CB -0.158 29.472 29.700 -0.116 0.000 1.086 1404 E HN 0.324 nan 8.360 nan 0.000 0.462 1405 T N 0.493 114.980 114.554 -0.111 0.000 2.481 1405 T HA -0.339 4.011 4.350 -0.000 0.000 0.229 1405 T C 1.894 176.496 174.700 -0.163 0.000 1.382 1405 T CA 2.163 64.201 62.100 -0.104 0.000 1.082 1405 T CB -0.592 68.218 68.868 -0.096 0.000 0.821 1405 T HN 0.144 nan 8.240 nan 0.000 0.457 1406 V N 1.249 121.031 119.914 -0.221 0.000 2.302 1406 V HA -0.089 4.031 4.120 -0.000 0.000 0.243 1406 V C 2.539 178.317 176.094 -0.527 0.000 1.036 1406 V CA 2.056 64.099 62.300 -0.429 0.000 1.020 1406 V CB -0.722 30.825 31.823 -0.460 0.000 0.657 1406 V HN 0.406 nan 8.190 nan 0.000 0.453 1407 E N 0.442 120.506 120.200 -0.226 0.000 2.130 1407 E HA -0.198 4.152 4.350 -0.000 0.000 0.196 1407 E C 1.951 178.565 176.600 0.023 0.000 0.998 1407 E CA 1.297 57.723 56.400 0.042 0.000 0.806 1407 E CB -0.517 29.262 29.700 0.132 0.000 0.738 1407 E HN 0.546 nan 8.360 nan 0.000 0.459 1408 I N 0.302 120.844 120.570 -0.047 0.000 2.423 1408 I HA -0.272 3.898 4.170 -0.000 0.000 0.254 1408 I C 1.889 177.998 176.117 -0.013 0.000 1.151 1408 I CA 0.980 62.272 61.300 -0.012 0.000 1.421 1408 I CB -0.205 37.784 38.000 -0.019 0.000 1.079 1408 I HN 0.144 nan 8.210 nan 0.000 0.431 1409 L N -0.863 120.285 121.223 -0.125 0.000 2.102 1409 L HA -0.091 4.249 4.340 -0.000 0.000 0.202 1409 L C 2.503 179.355 176.870 -0.031 0.000 1.076 1409 L CA 1.079 55.806 54.840 -0.189 0.000 0.761 1409 L CB -0.788 41.058 42.059 -0.355 0.000 0.921 1409 L HN 0.135 nan 8.230 nan 0.000 0.444 1410 F N 1.273 121.239 119.950 0.026 0.000 2.015 1410 F HA -0.285 4.242 4.527 -0.000 0.000 0.297 1410 F C 2.222 178.161 175.800 0.232 0.000 1.141 1410 F CA 1.100 59.227 58.000 0.211 0.000 1.192 1410 F CB -0.248 38.933 39.000 0.302 0.000 0.957 1410 F HN 0.125 nan 8.300 nan 0.000 0.491 1411 E N 0.111 120.509 120.200 0.330 0.000 2.428 1411 E HA -0.032 4.317 4.350 -0.000 0.000 0.199 1411 E C 1.150 177.769 176.600 0.033 0.000 1.172 1411 E CA 0.224 56.660 56.400 0.060 0.000 0.941 1411 E CB -0.034 29.684 29.700 0.029 0.000 1.001 1411 E HN 0.389 nan 8.360 nan 0.000 0.501 1412 A N -0.222 122.662 122.820 0.107 0.000 2.070 1412 A HA 0.216 4.536 4.320 -0.000 0.000 0.202 1412 A C 2.084 179.804 177.584 0.226 0.000 1.277 1412 A CA 0.502 52.647 52.037 0.180 0.000 0.872 1412 A CB 0.212 19.370 19.000 0.263 0.000 0.933 1412 A HN 0.306 nan 8.150 nan 0.000 0.475 1413 G N -0.560 108.326 108.800 0.142 0.000 2.744 1413 G HA2 0.293 4.252 3.960 -0.000 0.000 0.211 1413 G HA3 0.293 4.252 3.960 -0.000 0.000 0.211 1413 G C 1.460 176.433 174.900 0.121 0.000 1.146 1413 G CA 1.148 46.344 45.100 0.161 0.000 0.787 1413 G HN 0.609 nan 8.290 nan 0.000 0.534 1414 A N 1.582 124.402 122.820 0.000 0.000 1.841 1414 A HA 0.011 4.331 4.320 -0.000 0.000 0.214 1414 A C 2.530 179.917 177.584 -0.327 0.000 1.195 1414 A CA 2.278 54.138 52.037 -0.295 0.000 0.611 1414 A CB -0.713 17.913 19.000 -0.623 0.000 0.835 1414 A HN 0.701 nan 8.150 nan 0.000 0.443 1415 S N -1.168 114.360 115.700 -0.287 0.000 2.671 1415 S HA 0.472 4.942 4.470 -0.000 0.000 0.220 1415 S C 0.778 175.347 174.600 -0.051 0.000 0.951 1415 S CA 0.778 58.818 58.200 -0.267 0.000 0.932 1415 S CB -0.594 62.459 63.200 -0.246 0.000 0.777 1415 S HN 1.983 nan 8.310 nan 0.000 0.508 1416 A N 0.839 123.686 122.820 0.044 0.000 2.251 1416 A HA -0.183 4.137 4.320 -0.000 0.000 0.283 1416 A C 0.142 177.763 177.584 0.060 0.000 1.415 1416 A CA 0.794 52.906 52.037 0.124 0.000 0.742 1416 A CB -2.232 16.919 19.000 0.253 0.000 1.151 1416 A HN 0.745 nan 8.150 nan 0.000 0.354 1417 E N -1.022 119.208 120.200 0.051 0.000 2.390 1417 E HA 0.443 4.793 4.350 -0.000 0.000 0.261 1417 E C -0.085 176.378 176.600 -0.229 0.000 1.076 1417 E CA -0.576 55.798 56.400 -0.044 0.000 0.905 1417 E CB 0.802 30.506 29.700 0.007 0.000 0.984 1417 E HN 0.669 nan 8.360 nan 0.000 0.427 1418 L N 2.547 123.648 121.223 -0.204 0.000 2.333 1418 L HA 0.295 4.635 4.340 -0.000 0.000 0.280 1418 L C -1.006 175.715 176.870 -0.248 0.000 1.004 1418 L CA -0.283 54.401 54.840 -0.260 0.000 0.820 1418 L CB 1.539 43.515 42.059 -0.138 0.000 1.247 1418 L HN 0.378 nan 8.230 nan 0.000 0.416 1419 D N 2.895 123.098 120.400 -0.329 0.000 2.303 1419 D HA 0.136 4.776 4.640 -0.000 0.000 0.236 1419 D C 0.198 176.409 176.300 -0.149 0.000 1.068 1419 D CA -0.240 53.624 54.000 -0.227 0.000 0.830 1419 D CB 1.634 42.275 40.800 -0.265 0.000 1.109 1419 D HN 0.612 nan 8.370 nan 0.000 0.496 1420 D N 1.930 122.275 120.400 -0.092 0.000 2.127 1420 D HA -0.176 4.464 4.640 -0.000 0.000 0.190 1420 D C 0.844 177.111 176.300 -0.054 0.000 1.000 1420 D CA 1.073 55.037 54.000 -0.059 0.000 0.839 1420 D CB -0.074 40.705 40.800 -0.035 0.000 0.955 1420 D HN 0.569 nan 8.370 nan 0.000 0.446 1421 C N -1.066 118.205 119.300 -0.048 0.000 4.659 1421 C HA -0.103 4.356 4.460 -0.000 0.000 0.307 1421 C C 1.242 176.220 174.990 -0.020 0.000 1.144 1421 C CA -0.433 58.565 59.018 -0.035 0.000 2.477 1421 C CB -2.284 25.433 27.740 -0.038 0.000 1.184 1421 C HN 0.397 nan 8.230 nan 0.000 0.730 1422 R N 0.064 120.555 120.500 -0.015 0.000 2.404 1422 R HA 0.252 4.592 4.340 -0.000 0.000 0.237 1422 R C 1.171 177.469 176.300 -0.003 0.000 0.907 1422 R CA 0.657 56.755 56.100 -0.004 0.000 1.063 1422 R CB 0.657 30.958 30.300 0.001 0.000 1.134 1422 R HN 0.578 nan 8.270 nan 0.000 0.529 1423 G N 0.118 108.915 108.800 -0.006 0.000 2.356 1423 G HA2 0.275 4.235 3.960 -0.000 0.000 0.298 1423 G HA3 0.275 4.235 3.960 -0.000 0.000 0.298 1423 G C 1.147 176.040 174.900 -0.010 0.000 1.145 1423 G CA -0.594 44.505 45.100 -0.003 0.000 0.850 1423 G HN -0.103 nan 8.290 nan 0.000 0.487 1424 V N 2.529 122.432 119.914 -0.019 0.000 2.278 1424 V HA -0.268 3.852 4.120 -0.000 0.000 0.251 1424 V C 2.962 179.045 176.094 -0.017 0.000 1.062 1424 V CA 2.574 64.857 62.300 -0.028 0.000 1.038 1424 V CB -1.073 30.726 31.823 -0.039 0.000 0.646 1424 V HN 0.679 nan 8.190 nan 0.000 0.447 1425 S N -0.043 115.653 115.700 -0.006 0.000 2.365 1425 S HA -0.257 4.213 4.470 -0.000 0.000 0.221 1425 S C 1.919 176.524 174.600 0.010 0.000 1.037 1425 S CA 1.824 60.028 58.200 0.007 0.000 1.060 1425 S CB -0.530 62.684 63.200 0.024 0.000 0.974 1425 S HN 0.778 nan 8.310 nan 0.000 0.427 1426 E N 2.106 122.313 120.200 0.012 0.000 2.132 1426 E HA -0.262 4.088 4.350 -0.000 0.000 0.218 1426 E C 1.683 178.286 176.600 0.005 0.000 1.058 1426 E CA 1.453 57.859 56.400 0.011 0.000 0.882 1426 E CB -1.079 28.620 29.700 -0.002 0.000 0.774 1426 E HN 0.565 nan 8.360 nan 0.000 0.467 1427 N N 0.772 119.469 118.700 -0.004 0.000 2.149 1427 N HA -0.115 4.625 4.740 -0.000 0.000 0.188 1427 N C 2.180 177.686 175.510 -0.006 0.000 1.019 1427 N CA 1.654 54.700 53.050 -0.008 0.000 0.857 1427 N CB -0.198 38.280 38.487 -0.016 0.000 0.997 1427 N HN 0.077 nan 8.380 nan 0.000 0.426 1428 V N 2.063 121.973 119.914 -0.006 0.000 2.343 1428 V HA -0.171 3.948 4.120 -0.000 0.000 0.247 1428 V C 2.322 178.418 176.094 0.003 0.000 1.051 1428 V CA 1.250 63.547 62.300 -0.005 0.000 1.036 1428 V CB -0.506 31.314 31.823 -0.006 0.000 0.654 1428 V HN 0.226 nan 8.190 nan 0.000 0.451 1429 I N -0.536 120.040 120.570 0.009 0.000 2.454 1429 I HA -0.209 3.961 4.170 -0.000 0.000 0.254 1429 I C 2.213 178.339 176.117 0.015 0.000 1.156 1429 I CA 1.518 62.827 61.300 0.016 0.000 1.433 1429 I CB -0.192 37.823 38.000 0.026 0.000 1.082 1429 I HN 0.277 nan 8.210 nan 0.000 0.432 1430 L N -0.134 121.096 121.223 0.011 0.000 2.298 1430 L HA 0.171 4.510 4.340 -0.000 0.000 0.209 1430 L C 1.484 178.358 176.870 0.006 0.000 1.084 1430 L CA 0.759 55.605 54.840 0.009 0.000 0.816 1430 L CB -0.144 41.919 42.059 0.006 0.000 0.967 1430 L HN 0.452 nan 8.230 nan 0.000 0.460 1431 G N 0.464 109.266 108.800 0.003 0.000 2.140 1431 G HA2 -0.189 3.770 3.960 -0.000 0.000 0.211 1431 G HA3 -0.189 3.770 3.960 -0.000 0.000 0.211 1431 G C -0.083 174.817 174.900 0.001 0.000 1.013 1431 G CA -0.291 44.811 45.100 0.002 0.000 0.705 1431 G HN 0.400 nan 8.290 nan 0.000 0.508 1432 Q N -0.598 119.201 119.800 -0.002 0.000 2.297 1432 Q HA 0.664 5.003 4.340 -0.000 0.000 0.268 1432 Q C 0.390 176.384 176.000 -0.010 0.000 1.045 1432 Q CA -1.173 54.629 55.803 -0.003 0.000 0.861 1432 Q CB 1.690 30.426 28.738 -0.002 0.000 1.344 1432 Q HN 0.381 nan 8.270 nan 0.000 0.452 1433 M N 1.783 121.377 119.600 -0.011 0.000 2.268 1433 M HA 0.278 4.758 4.480 -0.000 0.000 0.349 1433 M C -0.713 175.567 176.300 -0.033 0.000 1.485 1433 M CA -0.015 55.271 55.300 -0.023 0.000 1.094 1433 M CB 0.371 32.960 32.600 -0.018 0.000 1.843 1433 M HN 0.800 nan 8.290 nan 0.000 0.460 1434 A N 7.023 129.816 122.820 -0.045 0.000 2.340 1434 A HA 0.508 4.828 4.320 -0.000 0.000 0.268 1434 A C -2.379 175.158 177.584 -0.078 0.000 1.100 1434 A CA -1.470 50.535 52.037 -0.052 0.000 0.803 1434 A CB -0.292 18.677 19.000 -0.051 0.000 1.043 1434 A HN 0.675 nan 8.150 nan 0.000 0.488 1435 P HA 0.158 nan 4.420 nan 0.000 0.245 1435 P C -1.077 176.132 177.300 -0.150 0.000 1.670 1435 P CA 0.712 63.750 63.100 -0.104 0.000 1.146 1435 P CB -0.478 31.187 31.700 -0.058 0.000 1.954 1436 I N 1.057 121.521 120.570 -0.178 0.000 2.439 1436 I HA 0.347 4.516 4.170 -0.000 0.000 0.283 1436 I C 1.302 177.272 176.117 -0.246 0.000 1.023 1436 I CA 0.009 61.194 61.300 -0.191 0.000 1.100 1436 I CB 0.814 38.730 38.000 -0.140 0.000 1.238 1436 I HN 0.356 nan 8.210 nan 0.000 0.445 1437 G N 4.568 113.195 108.800 -0.288 0.000 2.693 1437 G HA2 -0.438 3.522 3.960 -0.000 0.000 0.354 1437 G HA3 -0.438 3.522 3.960 -0.000 0.000 0.354 1437 G C 1.250 175.895 174.900 -0.425 0.000 1.207 1437 G CA 1.224 46.138 45.100 -0.309 0.000 0.958 1437 G HN 0.490 nan 8.290 nan 0.000 0.560 1438 T N 1.019 115.377 114.554 -0.326 0.000 2.812 1438 T HA -0.202 4.147 4.350 -0.000 0.000 0.261 1438 T C 2.022 176.394 174.700 -0.547 0.000 1.031 1438 T CA 2.754 64.645 62.100 -0.347 0.000 1.158 1438 T CB -0.566 68.212 68.868 -0.150 0.000 0.836 1438 T HN 1.512 nan 8.240 nan 0.000 0.488 1439 G N -0.727 107.803 108.800 -0.449 0.000 3.324 1439 G HA2 0.449 4.409 3.960 -0.000 0.000 0.251 1439 G HA3 0.449 4.409 3.960 -0.000 0.000 0.251 1439 G C 0.829 175.511 174.900 -0.362 0.000 1.072 1439 G CA 0.361 45.254 45.100 -0.344 0.000 0.787 1439 G HN 0.542 nan 8.290 nan 0.000 0.537 1440 A N 0.727 123.224 122.820 -0.538 0.000 2.543 1440 A HA 0.609 4.929 4.320 -0.000 0.000 0.258 1440 A C 0.040 177.568 177.584 -0.093 0.000 1.391 1440 A CA -0.101 51.737 52.037 -0.331 0.000 1.066 1440 A CB -1.021 17.733 19.000 -0.409 0.000 0.972 1440 A HN 0.807 nan 8.150 nan 0.000 0.560 1441 F N -3.766 116.239 119.950 0.093 0.000 3.031 1441 F HA 0.569 5.096 4.527 -0.000 0.000 0.326 1441 F C -1.672 174.173 175.800 0.074 0.000 1.143 1441 F CA -2.431 55.649 58.000 0.134 0.000 0.871 1441 F CB 0.132 39.256 39.000 0.207 0.000 1.377 1441 F HN -0.102 nan 8.300 nan 0.000 0.462 1442 D N 0.454 121.110 120.400 0.426 0.000 2.350 1442 D HA 0.685 5.324 4.640 -0.000 0.000 0.238 1442 D C -1.269 175.062 176.300 0.051 0.000 0.989 1442 D CA -0.315 53.819 54.000 0.224 0.000 0.921 1442 D CB 2.982 43.855 40.800 0.122 0.000 1.297 1442 D HN 0.453 nan 8.370 nan 0.000 0.490 1443 V N 2.234 122.176 119.914 0.046 0.000 2.409 1443 V HA 0.437 4.556 4.120 -0.000 0.000 0.290 1443 V C -0.297 175.793 176.094 -0.006 0.000 1.017 1443 V CA -0.495 61.789 62.300 -0.028 0.000 0.841 1443 V CB 1.226 33.050 31.823 0.001 0.000 1.003 1443 V HN 0.429 nan 8.190 nan 0.000 0.426 1444 M N 5.610 125.196 119.600 -0.024 0.000 2.464 1444 M HA 0.645 5.125 4.480 -0.000 0.000 0.308 1444 M C -0.782 175.511 176.300 -0.012 0.000 1.127 1444 M CA -0.738 54.556 55.300 -0.010 0.000 0.913 1444 M CB 2.272 34.866 32.600 -0.009 0.000 1.689 1444 M HN 0.544 nan 8.290 nan 0.000 0.445 1445 I N -0.264 120.304 120.570 -0.003 0.000 2.452 1445 I HA 0.273 4.443 4.170 -0.000 0.000 0.287 1445 I C -0.126 175.984 176.117 -0.011 0.000 1.079 1445 I CA -0.337 60.963 61.300 0.000 0.000 1.387 1445 I CB -0.360 37.645 38.000 0.007 0.000 1.404 1445 I HN 0.495 nan 8.210 nan 0.000 0.522 1446 D N 5.040 125.430 120.400 -0.018 0.000 2.365 1446 D HA 0.041 4.681 4.640 -0.000 0.000 0.237 1446 D C 0.985 177.253 176.300 -0.055 0.000 1.190 1446 D CA -0.013 53.964 54.000 -0.039 0.000 0.867 1446 D CB 0.781 41.551 40.800 -0.050 0.000 1.050 1446 D HN 0.656 nan 8.370 nan 0.000 0.491 1447 E N 3.554 123.726 120.200 -0.046 0.000 2.077 1447 E HA -0.220 4.129 4.350 -0.000 0.000 0.193 1447 E C 1.146 177.697 176.600 -0.081 0.000 0.989 1447 E CA 0.956 57.325 56.400 -0.051 0.000 0.800 1447 E CB 0.248 29.927 29.700 -0.035 0.000 0.746 1447 E HN 0.708 nan 8.360 nan 0.000 0.452 1448 E N 0.125 120.273 120.200 -0.085 0.000 2.035 1448 E HA -0.198 4.152 4.350 -0.000 0.000 0.204 1448 E C 2.054 178.548 176.600 -0.177 0.000 1.025 1448 E CA 2.185 58.522 56.400 -0.105 0.000 0.835 1448 E CB -0.052 29.595 29.700 -0.088 0.000 0.764 1448 E HN 0.302 nan 8.360 nan 0.000 0.457 1449 S N 0.647 116.204 115.700 -0.239 0.000 2.447 1449 S HA -0.140 4.330 4.470 -0.000 0.000 0.233 1449 S C 1.688 175.896 174.600 -0.653 0.000 1.006 1449 S CA 0.510 58.414 58.200 -0.493 0.000 0.957 1449 S CB -0.116 62.807 63.200 -0.461 0.000 0.773 1449 S HN 0.252 nan 8.310 nan 0.000 0.507 1450 L N 1.631 122.677 121.223 -0.295 0.000 2.693 1450 L HA 0.344 4.684 4.340 -0.000 0.000 0.242 1450 L C 0.876 177.683 176.870 -0.106 0.000 1.157 1450 L CA 0.325 55.080 54.840 -0.140 0.000 0.929 1450 L CB -0.361 41.675 42.059 -0.037 0.000 1.103 1450 L HN 0.199 nan 8.230 nan 0.000 0.430 1451 V N -2.073 117.738 119.914 -0.171 0.000 3.431 1451 V HA 0.078 4.197 4.120 -0.000 0.000 0.255 1451 V C 1.859 177.902 176.094 -0.085 0.000 1.403 1451 V CA 0.220 62.467 62.300 -0.089 0.000 1.101 1451 V CB -0.019 31.758 31.823 -0.076 0.000 0.891 1451 V HN 0.276 nan 8.190 nan 0.000 0.446 1452 K N 0.027 120.318 120.400 -0.181 0.000 2.486 1452 K HA 0.097 4.417 4.320 -0.000 0.000 0.194 1452 K C -0.009 176.627 176.600 0.060 0.000 1.033 1452 K CA 0.636 56.859 56.287 -0.107 0.000 1.004 1452 K CB -0.010 32.386 32.500 -0.174 0.000 0.798 1452 K HN 0.517 nan 8.250 nan 0.000 0.495 1453 Y N 2.275 122.571 120.300 -0.006 0.000 2.802 1453 Y HA 0.215 4.764 4.550 -0.000 0.000 0.330 1453 Y C 0.298 176.195 175.900 -0.005 0.000 1.193 1453 Y CA -0.895 57.202 58.100 -0.006 0.000 1.427 1453 Y CB -0.122 38.335 38.460 -0.006 0.000 1.357 1453 Y HN 0.028 nan 8.280 nan 0.000 0.501 1454 M N 1.170 120.853 119.600 0.138 0.000 4.486 1454 M HA 0.258 4.737 4.480 -0.000 0.000 0.501 1454 M C -3.104 173.224 176.300 0.046 0.000 1.828 1454 M CA -1.135 54.209 55.300 0.074 0.000 0.486 1454 M CB -0.673 31.962 32.600 0.058 0.000 3.198 1454 M HN 0.143 nan 8.290 nan 0.000 0.571 1455 P HA 0.000 nan 4.420 nan 0.000 0.216 1455 P CA 0.000 63.115 63.100 0.024 0.000 0.800 1455 P CB 0.000 31.712 31.700 0.020 0.000 0.726