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 2r93_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 VGSWKKDRXX XXXDEPELRV DATA SEQUENCE LSTEEILNIF KHISVKDFTS LGFNEVFSRP EWMILTCLPV PPPPVRPSIS DATA SEQUENCE FNESQRGEDD LTFKLADILK ANISLETLEH NGAPHHAIEE AESLLQFHVA DATA SEQUENCE TYMDNDIAGQ PQALQKSGRP VKSIRARLKG KEGRIRGNLM GKRVDFSART DATA SEQUENCE VISGDPNLEL DQVGVPKSIA KTLTYPEVVT PYNIDRLTQL VRNGPNEHPG DATA SEQUENCE AKYVIRDSGD RIDLRYSKRA GDIQLQYGWK VERHIMDNDP VLFNRQPSLH DATA SEQUENCE KMSMMAHRVK VIPYSTFRLN LSVTSPYNAD FDGDEMNLHV PQSEETRAEL DATA SEQUENCE SQLCAVPLQI VSPQSNKPCM GIVQDTLCGI RKLTLRDTFI ELDQVLNMLY DATA SEQUENCE WVPDWDGVIP TPAIIKPKPL WSGKQILSVA IPNGIHLQRF DEGTTLLSPK DATA SEQUENCE DNGMLIIDGQ IIFGVVEKKT VGSSNGGLIH VVTREKGPQV CAKLFGNIQK DATA SEQUENCE VVNFWLLHNG FSTGIGDTIA DGPTMREITE TIAEAKKKVL DVTKEAQANL DATA SEQUENCE LTAKHGMTLR ESFEDNVVRF LNEARDKAGR LAEVNLKDLN NVKQMVMAGS DATA SEQUENCE KGSFINIAQM SACVGQQSVE GKRIAFGFVD RTLPHFSKDD YSPESKGFVE DATA SEQUENCE NSYLRGLTPQ EFFFHAMGGR EGLIDTAVKT AETGYIQRRL VKALEDIMVH DATA SEQUENCE YDNTTRNSLG NVIQFIYGED GMDAAHIEKQ SLDTIGGSDA AFEKRYRVDL DATA SEQUENCE LNTDHTLDPS LLESGSEILG DLKLQVLLDE EYKQLVKDRK FLREVFVDGE DATA SEQUENCE ANWPLPVNIR RIIQNAQQTF HIDHTKPSDL TIKDIVLGVK DLQENLLVLR DATA SEQUENCE GKNEIIQNAQ RDAVTLFCCL LRSRLATRRV LQEYRLTKQA FDWVLSNIEA DATA SEQUENCE QFLRSVVHPG EMVGVLAAQS IGEPATQMTL XXXXXXXXXX KKVTSGVPRL DATA SEQUENCE KEILNVAKNM KTPSLTVYLE PGHAADQEQA KLIRSAIEHT TLKSVTIASE DATA SEQUENCE IYYDPDPRST VIPEDEEIIQ LHFSLLXXXX XXXXXQQSPW LLRLELDRAA DATA SEQUENCE MNDKDLTMGQ VGERIKQTFK NDLFVIWSED NDEKLIIRCR VVRPXXXXXX 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 0.000 176.085 176.094 -0.015 0.000 1.182 2 V CA 0.000 62.286 62.300 -0.023 0.000 1.235 2 V CB 0.000 31.807 31.823 -0.026 0.000 1.184 3 G N 3.955 112.745 108.800 -0.017 0.000 2.316 3 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.203 3 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.203 3 G C 0.111 175.004 174.900 -0.012 0.000 0.999 3 G CA 0.515 45.606 45.100 -0.014 0.000 0.649 3 G HN 1.788 nan 8.290 nan 0.000 0.489 4 Q N -0.462 119.332 119.800 -0.010 0.000 3.240 4 Q HA -0.081 4.259 4.340 -0.000 0.000 0.025 4 Q C -0.114 175.890 176.000 0.007 0.000 1.713 4 Q CA 1.157 56.955 55.803 -0.008 0.000 0.238 4 Q CB -0.587 28.138 28.738 -0.021 0.000 0.585 4 Q HN 1.268 nan 8.270 nan 0.000 0.322 5 Q N -0.287 119.528 119.800 0.025 0.000 2.892 5 Q HA -0.154 4.186 4.340 -0.000 0.000 0.141 5 Q C -1.407 174.649 176.000 0.094 0.000 1.497 5 Q CA 0.112 55.944 55.803 0.048 0.000 0.364 5 Q CB -0.272 28.477 28.738 0.019 0.000 0.582 5 Q HN 0.543 nan 8.270 nan 0.000 0.321 6 Y N 2.866 123.157 120.300 -0.016 0.000 2.497 6 Y HA 0.367 4.917 4.550 -0.000 0.000 0.334 6 Y C -0.035 175.860 175.900 -0.008 0.000 1.199 6 Y CA 0.694 58.787 58.100 -0.012 0.000 1.425 6 Y CB 0.935 39.389 38.460 -0.010 0.000 1.291 6 Y HN 0.430 nan 8.280 nan 0.000 0.562 7 S N 2.660 117.999 115.700 -0.602 0.000 2.614 7 S HA 0.307 4.777 4.470 -0.000 0.000 0.288 7 S C 0.221 174.335 174.600 -0.809 0.000 1.137 7 S CA -0.225 57.607 58.200 -0.613 0.000 0.992 7 S CB 0.999 64.060 63.200 -0.231 0.000 1.026 7 S HN 0.859 nan 8.310 nan 0.000 0.486 8 S N 2.314 117.586 115.700 -0.714 0.000 2.584 8 S HA 0.197 4.667 4.470 -0.000 0.000 0.240 8 S C 0.926 175.436 174.600 -0.150 0.000 0.975 8 S CA 0.076 58.052 58.200 -0.373 0.000 0.949 8 S CB -0.768 62.309 63.200 -0.204 0.000 0.761 8 S HN 1.310 nan 8.310 nan 0.000 0.536 9 A N 3.599 126.329 122.820 -0.149 0.000 2.440 9 A HA 0.543 4.863 4.320 -0.000 0.000 0.251 9 A C -1.419 176.150 177.584 -0.025 0.000 1.089 9 A CA -1.487 50.510 52.037 -0.067 0.000 0.779 9 A CB -0.124 18.838 19.000 -0.062 0.000 1.022 9 A HN 0.431 nan 8.150 nan 0.000 0.492 10 P HA 0.359 nan 4.420 nan 0.000 0.272 10 P C -0.728 176.578 177.300 0.010 0.000 1.223 10 P CA -0.164 62.944 63.100 0.014 0.000 0.784 10 P CB 0.856 32.562 31.700 0.011 0.000 0.923 11 L N 1.154 122.388 121.223 0.018 0.000 2.346 11 L HA 0.741 5.081 4.340 -0.000 0.000 0.274 11 L C -0.516 176.358 176.870 0.007 0.000 1.007 11 L CA -0.856 53.991 54.840 0.011 0.000 0.818 11 L CB 2.123 44.193 42.059 0.018 0.000 1.284 11 L HN 0.338 nan 8.230 nan 0.000 0.424 12 R N 1.150 121.649 120.500 -0.001 0.000 2.817 12 R HA 0.531 4.871 4.340 -0.000 0.000 0.268 12 R C -1.029 175.265 176.300 -0.010 0.000 1.027 12 R CA -0.577 55.521 56.100 -0.004 0.000 0.928 12 R CB 2.392 32.689 30.300 -0.006 0.000 1.228 12 R HN 0.860 nan 8.270 nan 0.000 0.469 13 T N -1.760 112.787 114.554 -0.012 0.000 2.907 13 T HA 0.390 4.740 4.350 -0.000 0.000 0.284 13 T C 0.339 175.024 174.700 -0.024 0.000 1.004 13 T CA -0.712 61.377 62.100 -0.018 0.000 1.063 13 T CB 1.398 70.255 68.868 -0.018 0.000 0.992 13 T HN 0.147 nan 8.240 nan 0.000 0.483 14 V N 3.619 123.515 119.914 -0.030 0.000 2.572 14 V HA 0.178 4.298 4.120 -0.000 0.000 0.291 14 V C 1.163 177.230 176.094 -0.044 0.000 1.039 14 V CA 0.089 62.364 62.300 -0.041 0.000 1.055 14 V CB 0.720 32.515 31.823 -0.047 0.000 0.969 14 V HN 0.963 nan 8.190 nan 0.000 0.482 15 K N 2.853 123.223 120.400 -0.051 0.000 2.464 15 K HA 0.341 4.661 4.320 -0.000 0.000 0.206 15 K C 0.007 176.567 176.600 -0.066 0.000 1.186 15 K CA 0.088 56.346 56.287 -0.049 0.000 0.990 15 K CB 1.226 33.704 32.500 -0.036 0.000 1.003 15 K HN 0.717 nan 8.250 nan 0.000 0.562 16 E N 0.914 121.060 120.200 -0.090 0.000 2.366 16 E HA 0.312 4.661 4.350 -0.000 0.000 0.278 16 E C -1.403 175.080 176.600 -0.195 0.000 0.923 16 E CA -0.782 55.541 56.400 -0.129 0.000 0.761 16 E CB 3.074 32.707 29.700 -0.111 0.000 1.231 16 E HN -0.230 nan 8.360 nan 0.000 0.443 17 V N 2.037 121.774 119.914 -0.294 0.000 2.376 17 V HA 0.244 4.364 4.120 -0.000 0.000 0.287 17 V C -0.467 175.245 176.094 -0.637 0.000 1.015 17 V CA -0.901 61.108 62.300 -0.485 0.000 0.834 17 V CB 1.306 32.732 31.823 -0.662 0.000 1.001 17 V HN 0.553 nan 8.190 nan 0.000 0.428 18 Q N 4.074 123.549 119.800 -0.542 0.000 2.390 18 Q HA 0.493 4.833 4.340 -0.000 0.000 0.249 18 Q C -0.852 174.849 176.000 -0.499 0.000 0.996 18 Q CA -0.075 55.394 55.803 -0.557 0.000 0.899 18 Q CB 1.145 29.473 28.738 -0.683 0.000 1.216 18 Q HN 0.679 nan 8.270 nan 0.000 0.465 19 F N 0.570 120.381 119.950 -0.232 0.000 2.375 19 F HA 0.654 5.181 4.527 -0.000 0.000 0.333 19 F C 1.257 176.969 175.800 -0.147 0.000 1.104 19 F CA -0.250 57.660 58.000 -0.151 0.000 1.149 19 F CB 1.681 40.643 39.000 -0.062 0.000 1.190 19 F HN 0.539 nan 8.300 nan 0.000 0.533 20 G N 2.041 110.933 108.800 0.153 0.000 2.561 20 G HA2 0.607 4.567 3.960 -0.000 0.000 0.310 20 G HA3 0.607 4.567 3.960 -0.000 0.000 0.310 20 G C -1.966 173.007 174.900 0.122 0.000 1.292 20 G CA -0.931 44.237 45.100 0.114 0.000 0.811 20 G HN 0.495 nan 8.290 nan 0.000 0.482 21 L N -0.493 120.777 121.223 0.078 0.000 2.323 21 L HA 0.617 4.957 4.340 -0.000 0.000 0.265 21 L C -0.869 175.861 176.870 -0.234 0.000 1.012 21 L CA -0.851 54.045 54.840 0.094 0.000 0.820 21 L CB 2.190 44.421 42.059 0.287 0.000 1.334 21 L HN 0.392 nan 8.230 nan 0.000 0.427 22 F N 0.610 120.366 119.950 -0.323 0.000 2.412 22 F HA 0.191 4.718 4.527 -0.000 0.000 0.348 22 F C 0.813 176.114 175.800 -0.831 0.000 1.102 22 F CA -0.019 57.703 58.000 -0.462 0.000 1.196 22 F CB 1.499 40.339 39.000 -0.268 0.000 1.144 22 F HN 0.422 nan 8.300 nan 0.000 0.541 23 S N 5.383 120.604 115.700 -0.799 0.000 2.452 23 S HA 0.266 4.736 4.470 -0.000 0.000 0.284 23 S C -1.740 172.882 174.600 0.037 0.000 1.171 23 S CA -1.328 56.507 58.200 -0.607 0.000 1.064 23 S CB 1.277 64.342 63.200 -0.225 0.000 0.967 23 S HN 0.468 nan 8.310 nan 0.000 0.484 24 P HA -0.223 nan 4.420 nan 0.000 0.218 24 P C 0.663 178.078 177.300 0.191 0.000 1.147 24 P CA 1.512 64.741 63.100 0.215 0.000 0.827 24 P CB 0.179 32.025 31.700 0.243 0.000 0.778 25 E N 0.035 120.349 120.200 0.191 0.000 2.051 25 E HA -0.128 4.222 4.350 -0.000 0.000 0.189 25 E C 2.240 178.908 176.600 0.112 0.000 0.979 25 E CA 0.890 57.378 56.400 0.147 0.000 0.803 25 E CB -0.748 29.040 29.700 0.146 0.000 0.761 25 E HN 0.400 nan 8.360 nan 0.000 0.451 26 E N 0.689 120.939 120.200 0.083 0.000 2.085 26 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 26 E C 1.865 178.554 176.600 0.148 0.000 0.994 26 E CA 1.367 57.794 56.400 0.046 0.000 0.801 26 E CB 0.069 29.697 29.700 -0.120 0.000 0.743 26 E HN 0.062 nan 8.360 nan 0.000 0.453 27 V N 1.088 121.151 119.914 0.248 0.000 2.453 27 V HA -0.301 3.819 4.120 -0.000 0.000 0.252 27 V C 2.365 178.534 176.094 0.125 0.000 1.068 27 V CA 2.281 64.722 62.300 0.235 0.000 1.070 27 V CB -0.610 31.325 31.823 0.186 0.000 0.664 27 V HN 0.280 nan 8.190 nan 0.000 0.461 28 R N -0.194 120.363 120.500 0.096 0.000 2.066 28 R HA 0.105 4.445 4.340 -0.000 0.000 0.224 28 R C 2.545 178.808 176.300 -0.062 0.000 1.122 28 R CA 1.117 57.193 56.100 -0.041 0.000 0.974 28 R CB -0.586 29.746 30.300 0.054 0.000 0.871 28 R HN 0.493 nan 8.270 nan 0.000 0.435 29 A N 1.911 124.738 122.820 0.011 0.000 1.859 29 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 29 A C 2.168 179.757 177.584 0.009 0.000 1.198 29 A CA 1.505 53.548 52.037 0.010 0.000 0.629 29 A CB -0.721 18.294 19.000 0.023 0.000 0.830 29 A HN 0.172 nan 8.150 nan 0.000 0.446 30 I N -0.393 120.202 120.570 0.042 0.000 2.076 30 I HA -0.177 3.993 4.170 -0.000 0.000 0.237 30 I C 1.639 177.788 176.117 0.054 0.000 1.059 30 I CA 0.998 62.339 61.300 0.069 0.000 1.317 30 I CB -0.684 37.393 38.000 0.128 0.000 1.037 30 I HN 0.343 nan 8.210 nan 0.000 0.398 31 S N 0.285 115.995 115.700 0.016 0.000 2.643 31 S HA -0.056 4.414 4.470 -0.000 0.000 0.310 31 S C 0.721 175.295 174.600 -0.043 0.000 1.253 31 S CA 0.398 58.580 58.200 -0.029 0.000 1.047 31 S CB 0.676 63.708 63.200 -0.281 0.000 0.767 31 S HN 0.298 nan 8.310 nan 0.000 0.498 32 V N 2.127 122.048 119.914 0.011 0.000 3.477 32 V HA 0.784 4.904 4.120 -0.000 0.000 0.297 32 V C 0.143 176.239 176.094 0.003 0.000 1.433 32 V CA 0.502 62.800 62.300 -0.004 0.000 1.052 32 V CB -0.352 31.470 31.823 -0.001 0.000 0.895 32 V HN 1.019 nan 8.190 nan 0.000 0.438 33 A N 0.039 122.874 122.820 0.025 0.000 2.547 33 A HA 0.815 5.135 4.320 -0.000 0.000 0.297 33 A C 0.160 177.839 177.584 0.158 0.000 1.056 33 A CA -0.498 51.578 52.037 0.065 0.000 0.688 33 A CB 1.897 20.933 19.000 0.060 0.000 1.282 33 A HN 0.028 nan 8.150 nan 0.000 0.400 34 K N 0.801 121.313 120.400 0.186 0.000 1.975 34 K HA 0.346 4.666 4.320 -0.000 0.000 0.210 34 K C 0.206 176.935 176.600 0.215 0.000 1.041 34 K CA 1.610 58.078 56.287 0.302 0.000 0.942 34 K CB -0.344 32.282 32.500 0.211 0.000 0.729 34 K HN 0.944 nan 8.250 nan 0.000 0.439 35 I N 0.553 121.214 120.570 0.153 0.000 6.421 35 I HA -0.268 3.902 4.170 -0.000 0.000 0.126 35 I C 0.167 176.347 176.117 0.105 0.000 1.825 35 I CA -0.002 61.370 61.300 0.120 0.000 2.037 35 I CB -0.526 37.520 38.000 0.076 0.000 3.486 35 I HN 0.245 nan 8.210 nan 0.000 0.169 36 R N 2.007 122.634 120.500 0.211 0.000 2.287 36 R HA 0.300 4.640 4.340 -0.000 0.000 0.197 36 R C 0.095 176.422 176.300 0.045 0.000 0.900 36 R CA 0.376 56.533 56.100 0.094 0.000 1.052 36 R CB 0.354 30.681 30.300 0.044 0.000 1.117 36 R HN 0.207 nan 8.270 nan 0.000 0.568 37 F N 2.366 122.305 119.950 -0.019 0.000 2.384 37 F HA 0.269 4.796 4.527 -0.000 0.000 0.338 37 F C -1.296 174.488 175.800 -0.026 0.000 1.103 37 F CA -2.809 55.179 58.000 -0.020 0.000 1.157 37 F CB 0.793 39.785 39.000 -0.014 0.000 1.167 37 F HN -0.158 nan 8.300 nan 0.000 0.529 38 P HA 0.054 nan 4.420 nan 0.000 0.261 38 P C -0.417 176.910 177.300 0.046 0.000 1.268 38 P CA 0.441 63.573 63.100 0.052 0.000 0.833 38 P CB 0.417 32.119 31.700 0.003 0.000 1.231 39 E N -0.528 119.724 120.200 0.086 0.000 2.322 39 E HA 0.209 4.559 4.350 -0.000 0.000 0.257 39 E C 0.834 177.458 176.600 0.040 0.000 1.155 39 E CA -0.381 56.050 56.400 0.052 0.000 0.936 39 E CB 0.421 30.161 29.700 0.067 0.000 1.130 39 E HN -0.154 nan 8.360 nan 0.000 0.465 40 T N 0.012 114.584 114.554 0.030 0.000 2.739 40 T HA -0.023 4.327 4.350 -0.000 0.000 0.246 40 T C 1.110 175.806 174.700 -0.007 0.000 1.058 40 T CA 1.312 63.426 62.100 0.022 0.000 1.184 40 T CB 0.020 68.911 68.868 0.038 0.000 0.887 40 T HN 0.453 nan 8.240 nan 0.000 0.408 41 M N -0.705 118.889 119.600 -0.008 0.000 1.806 41 M HA 0.423 4.903 4.480 -0.000 0.000 0.482 41 M C -1.315 174.970 176.300 -0.026 0.000 2.217 41 M CA -0.635 54.645 55.300 -0.032 0.000 1.103 41 M CB -0.087 32.496 32.600 -0.027 0.000 3.623 41 M HN -0.269 nan 8.290 nan 0.000 0.871 42 D N 3.146 123.536 120.400 -0.016 0.000 3.688 42 D HA -0.122 4.518 4.640 -0.000 0.000 0.214 42 D C -0.779 175.511 176.300 -0.016 0.000 1.071 42 D CA 0.716 54.711 54.000 -0.009 0.000 1.124 42 D CB -0.226 40.577 40.800 0.004 0.000 0.760 42 D HN 0.615 nan 8.370 nan 0.000 0.383 43 E N 0.824 121.010 120.200 -0.024 0.000 2.888 43 E HA 0.087 4.437 4.350 -0.000 0.000 0.271 43 E C 0.090 176.685 176.600 -0.008 0.000 1.527 43 E CA -0.019 56.365 56.400 -0.027 0.000 1.700 43 E CB -0.176 29.505 29.700 -0.031 0.000 1.410 43 E HN 0.361 nan 8.360 nan 0.000 0.445 44 T N 0.827 115.382 114.554 0.001 0.000 4.214 44 T HA -0.186 4.164 4.350 -0.000 0.000 0.355 44 T C 0.487 175.191 174.700 0.006 0.000 0.756 44 T CA 0.602 62.707 62.100 0.009 0.000 2.003 44 T CB -1.547 67.327 68.868 0.010 0.000 1.846 44 T HN 0.666 nan 8.240 nan 0.000 0.919 45 Q N -2.347 117.457 119.800 0.006 0.000 2.608 45 Q HA -0.177 4.163 4.340 -0.000 0.000 0.154 45 Q C 0.247 176.248 176.000 0.003 0.000 1.090 45 Q CA 1.890 57.697 55.803 0.007 0.000 1.183 45 Q CB -1.758 26.985 28.738 0.008 0.000 1.087 45 Q HN 0.720 nan 8.270 nan 0.000 1.015 46 T N 3.113 117.667 114.554 -0.001 0.000 2.800 46 T HA 0.132 4.482 4.350 -0.000 0.000 0.266 46 T C 0.113 174.808 174.700 -0.008 0.000 0.939 46 T CA 0.121 62.218 62.100 -0.004 0.000 1.199 46 T CB -0.115 68.748 68.868 -0.007 0.000 0.899 46 T HN 0.110 nan 8.240 nan 0.000 0.555 47 R N 2.264 122.761 120.500 -0.005 0.000 2.500 47 R HA 0.249 4.589 4.340 -0.000 0.000 0.281 47 R C 0.718 177.009 176.300 -0.015 0.000 0.953 47 R CA 0.456 56.551 56.100 -0.007 0.000 1.108 47 R CB 0.046 30.344 30.300 -0.003 0.000 0.901 47 R HN 0.821 nan 8.270 nan 0.000 0.410 48 A N 2.871 125.678 122.820 -0.020 0.000 4.083 48 A HA 0.305 4.625 4.320 -0.000 0.000 0.082 48 A C -1.410 176.153 177.584 -0.036 0.000 1.330 48 A CA -0.708 51.312 52.037 -0.028 0.000 1.888 48 A CB 0.821 19.801 19.000 -0.033 0.000 2.110 48 A HN 0.505 nan 8.150 nan 0.000 0.940 49 K N 0.507 120.876 120.400 -0.051 0.000 2.670 49 K HA 0.452 4.772 4.320 -0.000 0.000 0.274 49 K C -1.436 175.101 176.600 -0.106 0.000 1.068 49 K CA -0.275 55.973 56.287 -0.065 0.000 0.967 49 K CB 1.625 34.092 32.500 -0.055 0.000 1.297 49 K HN 0.545 nan 8.250 nan 0.000 0.477 50 I N 1.355 121.838 120.570 -0.144 0.000 2.752 50 I HA -0.061 4.109 4.170 -0.000 0.000 0.287 50 I C 1.581 177.509 176.117 -0.314 0.000 1.188 50 I CA 0.577 61.719 61.300 -0.264 0.000 1.427 50 I CB 0.683 38.463 38.000 -0.367 0.000 1.365 50 I HN 0.886 nan 8.210 nan 0.000 0.585 51 G N 4.862 113.448 108.800 -0.358 0.000 3.286 51 G HA2 0.066 4.026 3.960 -0.000 0.000 0.213 51 G HA3 0.066 4.026 3.960 -0.000 0.000 0.213 51 G C 0.881 175.577 174.900 -0.339 0.000 1.274 51 G CA 0.489 45.429 45.100 -0.268 0.000 1.218 51 G HN 0.951 nan 8.290 nan 0.000 0.504 52 G N -0.298 108.255 108.800 -0.412 0.000 2.651 52 G HA2 0.384 4.344 3.960 -0.000 0.000 0.226 52 G HA3 0.384 4.344 3.960 -0.000 0.000 0.226 52 G C 0.459 175.374 174.900 0.025 0.000 1.542 52 G CA -0.267 44.729 45.100 -0.172 0.000 0.868 52 G HN 0.379 nan 8.290 nan 0.000 0.588 53 L N 0.621 121.850 121.223 0.010 0.000 2.397 53 L HA 0.338 4.678 4.340 -0.000 0.000 0.266 53 L C -0.209 176.654 176.870 -0.012 0.000 1.040 53 L CA -0.785 54.066 54.840 0.018 0.000 0.800 53 L CB 1.007 43.082 42.059 0.027 0.000 1.324 53 L HN 0.732 nan 8.230 nan 0.000 0.469 54 N N 0.891 119.585 118.700 -0.011 0.000 2.117 54 N HA -0.262 4.478 4.740 -0.000 0.000 0.364 54 N C -0.548 174.944 175.510 -0.029 0.000 1.148 54 N CA 1.015 54.051 53.050 -0.023 0.000 0.752 54 N CB -0.562 37.909 38.487 -0.026 0.000 0.995 54 N HN 0.734 nan 8.380 nan 0.000 0.561 55 D N 0.002 120.388 120.400 -0.024 0.000 2.823 55 D HA -0.073 4.567 4.640 -0.000 0.000 0.248 55 D C -2.242 174.037 176.300 -0.035 0.000 1.076 55 D CA 0.372 54.357 54.000 -0.024 0.000 0.760 55 D CB -0.480 40.303 40.800 -0.028 0.000 1.065 55 D HN 0.560 nan 8.370 nan 0.000 0.432 56 P HA 0.293 nan 4.420 nan 0.000 0.257 56 P C 0.533 177.821 177.300 -0.020 0.000 1.281 56 P CA 0.270 63.350 63.100 -0.034 0.000 0.826 56 P CB 0.527 32.225 31.700 -0.004 0.000 1.237 57 R N -4.406 116.085 120.500 -0.016 0.000 1.537 57 R HA 0.019 4.359 4.340 -0.000 0.000 0.030 57 R C 0.224 176.518 176.300 -0.011 0.000 0.810 57 R CA -0.181 55.906 56.100 -0.021 0.000 3.416 57 R CB -1.021 29.267 30.300 -0.021 0.000 0.746 57 R HN 0.012 nan 8.270 nan 0.000 0.576 58 L N 1.998 123.229 121.223 0.014 0.000 2.453 58 L HA 0.267 4.607 4.340 -0.000 0.000 0.283 58 L C 1.150 178.055 176.870 0.057 0.000 1.284 58 L CA 1.383 56.254 54.840 0.051 0.000 0.822 58 L CB -0.240 41.834 42.059 0.026 0.000 1.081 58 L HN 0.295 nan 8.230 nan 0.000 0.562 59 G N 1.166 110.021 108.800 0.092 0.000 2.883 59 G HA2 0.274 4.234 3.960 -0.000 0.000 0.309 59 G HA3 0.274 4.234 3.960 -0.000 0.000 0.309 59 G C -0.189 174.721 174.900 0.017 0.000 1.278 59 G CA 0.329 45.470 45.100 0.069 0.000 1.103 59 G HN 1.320 nan 8.290 nan 0.000 0.676 60 S N -1.770 113.932 115.700 0.003 0.000 2.806 60 S HA 0.784 5.254 4.470 -0.000 0.000 0.306 60 S C -0.006 174.579 174.600 -0.025 0.000 1.167 60 S CA -0.775 57.417 58.200 -0.013 0.000 0.847 60 S CB 1.516 64.711 63.200 -0.009 0.000 1.216 60 S HN 0.556 nan 8.310 nan 0.000 0.532 61 I N -0.763 119.791 120.570 -0.028 0.000 4.565 61 I HA 0.422 4.591 4.170 -0.000 0.000 0.195 61 I C 0.098 176.197 176.117 -0.030 0.000 0.882 61 I CA -0.875 60.404 61.300 -0.035 0.000 1.698 61 I CB 0.094 38.071 38.000 -0.039 0.000 1.208 61 I HN 0.705 nan 8.210 nan 0.000 0.380 62 D N 1.907 122.288 120.400 -0.032 0.000 2.927 62 D HA -0.235 4.405 4.640 -0.000 0.000 0.220 62 D C -0.089 176.198 176.300 -0.022 0.000 1.166 62 D CA 1.041 55.025 54.000 -0.026 0.000 0.686 62 D CB -0.353 40.434 40.800 -0.022 0.000 1.060 62 D HN 0.441 nan 8.370 nan 0.000 0.413 63 R N -1.200 119.287 120.500 -0.022 0.000 3.267 63 R HA -0.187 4.153 4.340 -0.000 0.000 0.254 63 R C -0.785 175.506 176.300 -0.015 0.000 0.993 63 R CA 0.611 56.700 56.100 -0.018 0.000 0.670 63 R CB -1.652 28.638 30.300 -0.017 0.000 1.125 63 R HN 0.220 nan 8.270 nan 0.000 0.434 64 N N 0.912 119.603 118.700 -0.015 0.000 2.491 64 N HA 0.196 4.936 4.740 -0.000 0.000 0.274 64 N C 1.353 176.857 175.510 -0.010 0.000 1.023 64 N CA -0.595 52.448 53.050 -0.013 0.000 0.902 64 N CB 1.316 39.794 38.487 -0.014 0.000 1.267 64 N HN 0.008 nan 8.380 nan 0.000 0.503 65 L N 1.251 122.469 121.223 -0.009 0.000 2.077 65 L HA -0.291 4.049 4.340 -0.000 0.000 0.231 65 L C 0.717 177.583 176.870 -0.005 0.000 1.100 65 L CA 1.664 56.499 54.840 -0.007 0.000 0.819 65 L CB -0.503 41.551 42.059 -0.008 0.000 0.913 65 L HN 0.452 nan 8.230 nan 0.000 0.446 66 K N -0.442 119.952 120.400 -0.010 0.000 2.539 66 K HA -0.194 4.125 4.320 -0.000 0.000 0.271 66 K C -0.132 176.464 176.600 -0.007 0.000 1.004 66 K CA 0.519 56.798 56.287 -0.013 0.000 1.117 66 K CB -0.024 32.467 32.500 -0.016 0.000 0.815 66 K HN 0.377 nan 8.250 nan 0.000 0.481 67 C N 3.023 122.315 119.300 -0.014 0.000 2.582 67 C HA 0.038 4.498 4.460 -0.000 0.000 0.279 67 C C -1.046 173.906 174.990 -0.064 0.000 1.300 67 C CA -0.413 58.600 59.018 -0.008 0.000 0.858 67 C CB -0.959 26.803 27.740 0.037 0.000 1.839 67 C HN 1.059 nan 8.230 nan 0.000 0.726 68 Q N -0.023 119.741 119.800 -0.060 0.000 2.459 68 Q HA -0.176 4.164 4.340 -0.000 0.000 0.314 68 Q C 0.832 176.791 176.000 -0.068 0.000 1.432 68 Q CA 0.935 56.693 55.803 -0.075 0.000 0.823 68 Q CB -2.098 26.568 28.738 -0.120 0.000 1.124 68 Q HN 0.718 nan 8.270 nan 0.000 0.392 69 T N -2.942 111.586 114.554 -0.044 0.000 9.171 69 T HA -0.422 3.928 4.350 -0.000 0.000 0.403 69 T C 1.433 176.113 174.700 -0.033 0.000 1.560 69 T CA 1.677 63.757 62.100 -0.033 0.000 2.507 69 T CB -1.571 67.279 68.868 -0.031 0.000 2.939 69 T HN 0.988 nan 8.240 nan 0.000 1.240 70 C N 2.274 121.546 119.300 -0.047 0.000 2.402 70 C HA -0.077 4.383 4.460 -0.000 0.000 0.301 70 C C 2.021 177.008 174.990 -0.006 0.000 1.455 70 C CA 1.382 60.379 59.018 -0.035 0.000 1.787 70 C CB -2.041 25.663 27.740 -0.060 0.000 1.726 70 C HN 0.899 nan 8.230 nan 0.000 0.565 71 Q N -0.325 119.469 119.800 -0.009 0.000 2.046 71 Q HA -0.427 3.913 4.340 -0.000 0.000 0.437 71 Q C 0.783 176.788 176.000 0.007 0.000 0.778 71 Q CA 2.142 57.944 55.803 -0.003 0.000 0.836 71 Q CB -1.326 27.407 28.738 -0.007 0.000 3.591 71 Q HN 0.498 nan 8.270 nan 0.000 0.849 72 E N -1.595 118.606 120.200 0.003 0.000 5.086 72 E HA -0.251 4.099 4.350 -0.000 0.000 0.187 72 E C 0.766 177.366 176.600 0.001 0.000 1.056 72 E CA 2.593 58.995 56.400 0.004 0.000 2.105 72 E CB -2.098 27.610 29.700 0.013 0.000 1.787 72 E HN 1.809 nan 8.360 nan 0.000 0.445 73 G N 1.868 110.670 108.800 0.004 0.000 3.265 73 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.488 73 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.488 73 G C 0.840 175.737 174.900 -0.006 0.000 0.742 73 G CA 1.416 46.514 45.100 -0.002 0.000 0.841 73 G HN 0.298 nan 8.290 nan 0.000 0.457 74 M N 0.251 119.846 119.600 -0.008 0.000 7.274 74 M HA -0.375 4.105 4.480 -0.000 0.000 0.289 74 M C 1.417 177.705 176.300 -0.019 0.000 0.478 74 M CA 2.444 57.733 55.300 -0.018 0.000 1.304 74 M CB -1.142 31.443 32.600 -0.024 0.000 0.473 74 M HN 0.868 nan 8.290 nan 0.000 0.520 75 N N 1.615 120.303 118.700 -0.020 0.000 2.429 75 N HA 0.019 4.759 4.740 -0.000 0.000 0.271 75 N C 0.355 175.856 175.510 -0.015 0.000 1.272 75 N CA 1.551 54.589 53.050 -0.021 0.000 0.921 75 N CB 0.978 39.452 38.487 -0.022 0.000 1.128 75 N HN 0.559 nan 8.380 nan 0.000 0.481 76 E N 1.824 122.015 120.200 -0.016 0.000 3.675 76 E HA -0.178 4.172 4.350 -0.000 0.000 0.237 76 E C -0.926 175.671 176.600 -0.005 0.000 0.571 76 E CA 0.339 56.733 56.400 -0.010 0.000 2.537 76 E CB -1.643 28.054 29.700 -0.005 0.000 1.587 76 E HN 0.486 nan 8.360 nan 0.000 0.689 77 C N 5.007 124.306 119.300 -0.002 0.000 2.227 77 C HA 0.695 5.155 4.460 -0.000 0.000 0.333 77 C C -1.639 173.312 174.990 -0.066 0.000 1.145 77 C CA -1.346 57.676 59.018 0.007 0.000 1.643 77 C CB -0.433 27.340 27.740 0.054 0.000 2.185 77 C HN 0.365 nan 8.230 nan 0.000 0.497 78 P HA 0.265 nan 4.420 nan 0.000 0.274 78 P C 0.407 177.511 177.300 -0.328 0.000 1.260 78 P CA 0.305 63.307 63.100 -0.164 0.000 0.793 78 P CB 0.542 32.163 31.700 -0.132 0.000 1.048 79 G N -0.311 108.322 108.800 -0.278 0.000 2.606 79 G HA2 0.177 4.137 3.960 -0.000 0.000 0.252 79 G HA3 0.177 4.137 3.960 -0.000 0.000 0.252 79 G C -0.486 174.106 174.900 -0.515 0.000 1.206 79 G CA -0.257 44.644 45.100 -0.332 0.000 0.861 79 G HN 0.590 nan 8.290 nan 0.000 0.561 80 H N 0.678 119.721 119.070 -0.045 0.000 2.786 80 H HA 0.207 4.763 4.556 -0.000 0.000 0.284 80 H C -0.334 175.006 175.328 0.019 0.000 1.104 80 H CA -0.751 55.315 56.048 0.029 0.000 1.339 80 H CB 0.528 30.302 29.762 0.020 0.000 1.427 80 H HN 0.275 nan 8.280 nan 0.000 0.497 81 F N 1.429 121.420 119.950 0.067 0.000 2.623 81 F HA 0.096 4.623 4.527 -0.000 0.000 0.381 81 F C 1.584 177.413 175.800 0.048 0.000 1.081 81 F CA 1.218 59.240 58.000 0.037 0.000 1.293 81 F CB 0.620 39.624 39.000 0.006 0.000 1.006 81 F HN 0.510 nan 8.300 nan 0.000 0.578 82 G N 1.606 110.514 108.800 0.181 0.000 2.735 82 G HA2 0.636 4.596 3.960 -0.000 0.000 0.301 82 G HA3 0.636 4.596 3.960 -0.000 0.000 0.301 82 G C -1.478 173.580 174.900 0.263 0.000 1.279 82 G CA -0.701 44.503 45.100 0.173 0.000 1.019 82 G HN 0.860 nan 8.290 nan 0.000 0.497 83 H N -2.649 116.465 119.070 0.073 0.000 2.931 83 H HA 0.800 5.355 4.556 -0.000 0.000 0.331 83 H C -1.537 173.810 175.328 0.031 0.000 1.273 83 H CA -1.247 54.833 56.048 0.054 0.000 1.171 83 H CB 2.571 32.366 29.762 0.056 0.000 1.898 83 H HN 0.500 nan 8.280 nan 0.000 0.562 84 I N 1.920 122.356 120.570 -0.223 0.000 2.606 84 I HA 0.038 4.208 4.170 -0.000 0.000 0.275 84 I C -1.261 174.708 176.117 -0.246 0.000 1.220 84 I CA -0.530 60.601 61.300 -0.282 0.000 1.098 84 I CB 1.235 39.160 38.000 -0.125 0.000 1.321 84 I HN 0.692 nan 8.210 nan 0.000 0.468 85 D N 8.368 128.571 120.400 -0.330 0.000 2.433 85 D HA 0.106 4.746 4.640 -0.000 0.000 0.274 85 D C 0.387 176.633 176.300 -0.090 0.000 1.344 85 D CA 0.546 54.449 54.000 -0.163 0.000 0.989 85 D CB 0.685 41.406 40.800 -0.131 0.000 1.116 85 D HN 0.407 nan 8.370 nan 0.000 0.533 86 L N 1.264 122.453 121.223 -0.056 0.000 2.479 86 L HA 0.067 4.407 4.340 -0.000 0.000 0.270 86 L C 1.810 178.666 176.870 -0.023 0.000 1.236 86 L CA -0.522 54.295 54.840 -0.038 0.000 0.823 86 L CB 0.293 42.337 42.059 -0.025 0.000 1.098 86 L HN 0.325 nan 8.230 nan 0.000 0.500 87 A N 1.552 124.361 122.820 -0.018 0.000 1.861 87 A HA 0.072 4.392 4.320 -0.000 0.000 0.212 87 A C 0.839 178.421 177.584 -0.005 0.000 1.199 87 A CA 1.035 53.068 52.037 -0.007 0.000 0.613 87 A CB 0.101 19.096 19.000 -0.008 0.000 0.846 87 A HN 0.715 nan 8.150 nan 0.000 0.446 88 K N -0.127 120.265 120.400 -0.013 0.000 2.426 88 K HA 0.396 4.716 4.320 -0.000 0.000 0.251 88 K C -3.030 173.553 176.600 -0.030 0.000 0.941 88 K CA -2.361 53.916 56.287 -0.017 0.000 0.808 88 K CB 2.162 34.649 32.500 -0.022 0.000 1.265 88 K HN 0.057 nan 8.250 nan 0.000 0.432 89 P HA -0.011 nan 4.420 nan 0.000 0.262 89 P C -0.577 176.656 177.300 -0.112 0.000 1.182 89 P CA -0.024 63.050 63.100 -0.043 0.000 0.761 89 P CB 0.588 32.274 31.700 -0.025 0.000 0.795 90 V N 3.820 123.677 119.914 -0.094 0.000 3.046 90 V HA 0.385 4.505 4.120 -0.000 0.000 0.316 90 V C 0.660 176.717 176.094 -0.062 0.000 1.104 90 V CA -0.672 61.542 62.300 -0.142 0.000 1.006 90 V CB 1.210 33.006 31.823 -0.045 0.000 1.058 90 V HN 0.313 nan 8.190 nan 0.000 0.440 91 F N 0.454 120.428 119.950 0.041 0.000 2.299 91 F HA 0.339 4.866 4.527 -0.000 0.000 0.293 91 F C 0.765 176.605 175.800 0.067 0.000 1.252 91 F CA -0.459 57.571 58.000 0.049 0.000 1.160 91 F CB 0.059 39.089 39.000 0.050 0.000 1.405 91 F HN 0.542 nan 8.300 nan 0.000 0.517 92 H N 0.221 119.386 119.070 0.158 0.000 2.736 92 H HA 0.353 4.909 4.556 -0.000 0.000 0.271 92 H C 0.680 175.910 175.328 -0.164 0.000 1.184 92 H CA -0.588 55.396 56.048 -0.107 0.000 1.378 92 H CB 0.640 30.193 29.762 -0.348 0.000 1.428 92 H HN 0.415 nan 8.280 nan 0.000 0.500 93 V N 2.859 122.819 119.914 0.077 0.000 2.346 93 V HA -0.426 3.694 4.120 -0.000 0.000 0.264 93 V C 2.204 178.195 176.094 -0.172 0.000 1.132 93 V CA 2.333 64.619 62.300 -0.023 0.000 1.114 93 V CB -1.290 30.536 31.823 0.006 0.000 0.780 93 V HN 0.841 nan 8.190 nan 0.000 0.456 94 G N -1.894 106.590 108.800 -0.527 0.000 2.459 94 G HA2 0.012 3.972 3.960 -0.000 0.000 0.213 94 G HA3 0.012 3.972 3.960 -0.000 0.000 0.213 94 G C 1.369 176.081 174.900 -0.313 0.000 1.155 94 G CA 0.508 45.279 45.100 -0.549 0.000 0.811 94 G HN 0.552 nan 8.290 nan 0.000 0.534 95 F N 0.663 120.236 119.950 -0.630 0.000 2.604 95 F HA 0.118 4.645 4.527 -0.000 0.000 0.298 95 F C 2.397 178.047 175.800 -0.250 0.000 1.131 95 F CA -0.397 57.385 58.000 -0.363 0.000 1.457 95 F CB -0.083 38.767 39.000 -0.251 0.000 1.095 95 F HN 0.078 nan 8.300 nan 0.000 0.574 96 I N 0.631 121.151 120.570 -0.083 0.000 2.185 96 I HA -0.406 3.764 4.170 -0.000 0.000 0.246 96 I C 2.746 178.764 176.117 -0.165 0.000 1.088 96 I CA 1.394 62.556 61.300 -0.231 0.000 1.347 96 I CB -0.630 37.242 38.000 -0.213 0.000 1.041 96 I HN 0.108 nan 8.210 nan 0.000 0.415 97 A N 0.198 122.962 122.820 -0.093 0.000 1.908 97 A HA -0.230 4.089 4.320 -0.000 0.000 0.218 97 A C 2.400 179.951 177.584 -0.056 0.000 1.181 97 A CA 1.681 53.676 52.037 -0.070 0.000 0.627 97 A CB -0.399 18.561 19.000 -0.066 0.000 0.818 97 A HN 0.322 nan 8.150 nan 0.000 0.445 98 K N -0.641 119.723 120.400 -0.060 0.000 2.044 98 K HA 0.069 4.389 4.320 -0.000 0.000 0.204 98 K C 1.895 178.547 176.600 0.087 0.000 1.049 98 K CA 1.078 57.353 56.287 -0.019 0.000 0.945 98 K CB -0.325 32.074 32.500 -0.168 0.000 0.724 98 K HN 0.520 nan 8.250 nan 0.000 0.440 99 I N 1.697 122.272 120.570 0.008 0.000 2.236 99 I HA -0.378 3.792 4.170 -0.000 0.000 0.249 99 I C 2.637 178.862 176.117 0.180 0.000 1.102 99 I CA 1.414 62.730 61.300 0.026 0.000 1.365 99 I CB -0.326 37.537 38.000 -0.229 0.000 1.051 99 I HN 0.251 nan 8.210 nan 0.000 0.420 100 K N 1.703 122.138 120.400 0.059 0.000 1.967 100 K HA -0.194 4.126 4.320 -0.000 0.000 0.212 100 K C 2.102 178.835 176.600 0.222 0.000 1.044 100 K CA 1.464 57.816 56.287 0.107 0.000 0.942 100 K CB -0.127 32.396 32.500 0.038 0.000 0.726 100 K HN 0.154 nan 8.250 nan 0.000 0.440 101 K N 0.521 121.050 120.400 0.216 0.000 2.173 101 K HA -0.158 4.162 4.320 -0.000 0.000 0.207 101 K C 2.023 178.889 176.600 0.444 0.000 1.046 101 K CA 1.563 58.041 56.287 0.317 0.000 0.929 101 K CB -0.139 32.305 32.500 -0.093 0.000 0.720 101 K HN 0.069 nan 8.250 nan 0.000 0.453 102 V N 0.554 120.730 119.914 0.436 0.000 2.358 102 V HA -0.283 3.837 4.120 -0.000 0.000 0.246 102 V C 2.414 178.638 176.094 0.216 0.000 1.047 102 V CA 1.467 64.019 62.300 0.420 0.000 1.035 102 V CB -0.394 31.732 31.823 0.504 0.000 0.658 102 V HN 0.431 nan 8.190 nan 0.000 0.452 103 C N 0.175 119.613 119.300 0.230 0.000 2.425 103 C HA -0.150 4.310 4.460 -0.000 0.000 0.277 103 C C 2.555 177.593 174.990 0.081 0.000 1.280 103 C CA 1.008 60.092 59.018 0.110 0.000 1.744 103 C CB -1.071 26.778 27.740 0.181 0.000 1.989 103 C HN 0.617 nan 8.230 nan 0.000 0.491 104 E N -1.038 119.245 120.200 0.137 0.000 2.472 104 E HA -0.150 4.200 4.350 -0.000 0.000 0.200 104 E C 1.732 178.345 176.600 0.021 0.000 1.046 104 E CA 0.694 57.135 56.400 0.069 0.000 0.871 104 E CB -0.087 29.685 29.700 0.119 0.000 0.806 104 E HN 0.683 nan 8.360 nan 0.000 0.533 105 C N 0.151 119.496 119.300 0.075 0.000 2.865 105 C HA 0.196 4.656 4.460 -0.000 0.000 0.280 105 C C 0.842 175.832 174.990 0.000 0.000 1.255 105 C CA -0.381 58.659 59.018 0.037 0.000 1.705 105 C CB 0.213 28.014 27.740 0.100 0.000 2.080 105 C HN 0.026 nan 8.230 nan 0.000 0.591 106 V N -0.888 119.015 119.914 -0.019 0.000 3.141 106 V HA 0.478 4.598 4.120 -0.000 0.000 0.312 106 V C -0.467 175.608 176.094 -0.032 0.000 1.157 106 V CA -0.782 61.489 62.300 -0.048 0.000 1.041 106 V CB 1.678 33.432 31.823 -0.114 0.000 1.071 106 V HN 0.304 nan 8.190 nan 0.000 0.441 107 C N 3.749 123.039 119.300 -0.016 0.000 2.399 107 C HA 0.739 5.199 4.460 -0.000 0.000 0.348 107 C C 0.285 175.303 174.990 0.048 0.000 1.183 107 C CA -0.675 58.359 59.018 0.027 0.000 2.023 107 C CB 0.837 28.602 27.740 0.041 0.000 2.361 107 C HN 0.804 nan 8.230 nan 0.000 0.521 108 M N 2.829 122.497 119.600 0.113 0.000 2.114 108 M HA 0.323 4.803 4.480 -0.000 0.000 0.280 108 M C 0.907 177.325 176.300 0.196 0.000 1.209 108 M CA 0.268 55.658 55.300 0.149 0.000 1.044 108 M CB -0.879 31.853 32.600 0.220 0.000 1.404 108 M HN 1.136 nan 8.290 nan 0.000 0.499 109 H N -0.752 118.352 119.070 0.056 0.000 4.836 109 H HA -0.274 4.282 4.556 -0.000 0.000 0.067 109 H C 1.474 176.788 175.328 -0.024 0.000 0.594 109 H CA 3.199 59.259 56.048 0.021 0.000 0.978 109 H CB -1.296 28.474 29.762 0.013 0.000 0.436 109 H HN 0.890 nan 8.280 nan 0.000 0.790 110 C N 0.655 119.953 119.300 -0.003 0.000 2.469 110 C HA 0.673 5.132 4.460 -0.000 0.000 0.309 110 C C 1.845 176.770 174.990 -0.108 0.000 1.385 110 C CA 0.942 59.894 59.018 -0.110 0.000 1.890 110 C CB 0.054 27.785 27.740 -0.016 0.000 2.245 110 C HN 1.774 nan 8.230 nan 0.000 0.530 111 G N 1.824 110.598 108.800 -0.042 0.000 2.545 111 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.279 111 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.279 111 G C -0.562 174.294 174.900 -0.073 0.000 1.131 111 G CA 0.516 45.583 45.100 -0.055 0.000 1.100 111 G HN 1.029 nan 8.290 nan 0.000 0.525 112 K N -0.115 120.250 120.400 -0.058 0.000 2.533 112 K HA 0.677 4.997 4.320 -0.000 0.000 0.272 112 K C 0.885 177.462 176.600 -0.039 0.000 0.985 112 K CA -1.227 55.027 56.287 -0.056 0.000 0.876 112 K CB 1.445 33.917 32.500 -0.045 0.000 1.452 112 K HN 0.178 nan 8.250 nan 0.000 0.439 113 L N 2.082 123.287 121.223 -0.031 0.000 2.477 113 L HA -0.082 4.258 4.340 -0.000 0.000 0.289 113 L C 0.660 177.524 176.870 -0.010 0.000 1.279 113 L CA 0.547 55.378 54.840 -0.016 0.000 0.825 113 L CB 0.132 42.187 42.059 -0.007 0.000 1.085 113 L HN 0.566 nan 8.230 nan 0.000 0.548 114 L N 2.504 123.720 121.223 -0.010 0.000 3.168 114 L HA 0.399 4.739 4.340 -0.000 0.000 0.277 114 L C -0.706 176.160 176.870 -0.008 0.000 1.245 114 L CA -0.019 54.814 54.840 -0.011 0.000 1.035 114 L CB 0.061 42.106 42.059 -0.024 0.000 1.399 114 L HN 0.364 nan 8.230 nan 0.000 0.580 115 L N 0.167 121.390 121.223 -0.000 0.000 2.849 115 L HA 0.347 4.687 4.340 -0.000 0.000 0.256 115 L C -1.255 175.617 176.870 0.004 0.000 0.951 115 L CA -0.326 54.517 54.840 0.005 0.000 1.003 115 L CB 2.196 44.249 42.059 -0.010 0.000 1.408 115 L HN -0.017 nan 8.230 nan 0.000 0.463 116 D N 1.211 121.624 120.400 0.022 0.000 2.466 116 D HA 0.172 4.812 4.640 -0.000 0.000 0.262 116 D C 0.747 176.986 176.300 -0.101 0.000 1.177 116 D CA -0.430 53.545 54.000 -0.041 0.000 1.035 116 D CB 1.415 42.205 40.800 -0.018 0.000 1.105 116 D HN 0.457 nan 8.370 nan 0.000 0.551 117 E N -0.324 119.739 120.200 -0.229 0.000 2.333 117 E HA -0.197 4.153 4.350 -0.000 0.000 0.200 117 E C 1.599 178.103 176.600 -0.159 0.000 1.010 117 E CA 1.134 57.416 56.400 -0.198 0.000 0.841 117 E CB -0.164 29.392 29.700 -0.241 0.000 0.757 117 E HN 0.374 nan 8.360 nan 0.000 0.508 118 H N -0.002 119.065 119.070 -0.004 0.000 2.387 118 H HA -0.030 4.526 4.556 -0.000 0.000 0.299 118 H C 0.955 176.279 175.328 -0.007 0.000 1.090 118 H CA 0.930 56.974 56.048 -0.005 0.000 1.332 118 H CB -0.285 29.472 29.762 -0.007 0.000 1.386 118 H HN 0.098 nan 8.280 nan 0.000 0.516 119 N N 1.514 120.272 118.700 0.095 0.000 2.422 119 N HA -0.063 4.677 4.740 -0.000 0.000 0.264 119 N C 1.112 176.635 175.510 0.022 0.000 1.063 119 N CA 0.133 53.212 53.050 0.047 0.000 0.959 119 N CB 1.747 40.251 38.487 0.028 0.000 1.087 119 N HN 0.358 nan 8.380 nan 0.000 0.483 120 E N 3.904 124.115 120.200 0.019 0.000 2.028 120 E HA -0.106 4.244 4.350 -0.000 0.000 0.191 120 E C 1.538 178.140 176.600 0.004 0.000 0.988 120 E CA 0.810 57.216 56.400 0.010 0.000 0.799 120 E CB 0.046 29.753 29.700 0.011 0.000 0.755 120 E HN 0.671 nan 8.360 nan 0.000 0.447 121 L N 0.461 121.684 121.223 0.001 0.000 2.270 121 L HA -0.228 4.112 4.340 -0.000 0.000 0.217 121 L C 2.574 179.442 176.870 -0.003 0.000 1.107 121 L CA 0.794 55.633 54.840 -0.003 0.000 0.772 121 L CB -0.301 41.753 42.059 -0.009 0.000 0.902 121 L HN 0.385 nan 8.230 nan 0.000 0.439 122 M N -0.163 119.435 119.600 -0.003 0.000 2.134 122 M HA -0.112 4.368 4.480 -0.000 0.000 0.262 122 M C 2.287 178.586 176.300 -0.002 0.000 1.076 122 M CA 1.653 56.950 55.300 -0.004 0.000 1.143 122 M CB -0.265 32.331 32.600 -0.007 0.000 1.346 122 M HN -0.042 nan 8.290 nan 0.000 0.421 123 R N -0.113 120.384 120.500 -0.005 0.000 2.136 123 R HA -0.264 4.076 4.340 -0.000 0.000 0.242 123 R C 2.251 178.554 176.300 0.005 0.000 1.131 123 R CA 2.435 58.532 56.100 -0.006 0.000 0.937 123 R CB -1.069 29.227 30.300 -0.007 0.000 0.863 123 R HN 0.592 nan 8.270 nan 0.000 0.435 124 Q N -0.142 119.662 119.800 0.007 0.000 2.156 124 Q HA -0.232 4.108 4.340 -0.000 0.000 0.211 124 Q C 2.211 178.222 176.000 0.018 0.000 0.995 124 Q CA 1.876 57.687 55.803 0.012 0.000 0.877 124 Q CB -0.282 28.462 28.738 0.011 0.000 0.920 124 Q HN 0.479 nan 8.270 nan 0.000 0.416 125 A N 0.480 123.311 122.820 0.018 0.000 2.014 125 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 125 A C 1.884 179.489 177.584 0.036 0.000 1.163 125 A CA 0.746 52.799 52.037 0.027 0.000 0.652 125 A CB -0.324 18.690 19.000 0.023 0.000 0.808 125 A HN 0.287 nan 8.150 nan 0.000 0.449 126 L N -1.086 120.154 121.223 0.028 0.000 2.610 126 L HA 0.043 4.383 4.340 -0.000 0.000 0.232 126 L C 2.324 179.213 176.870 0.033 0.000 1.149 126 L CA 0.498 55.357 54.840 0.033 0.000 0.872 126 L CB -0.058 42.012 42.059 0.019 0.000 0.992 126 L HN 0.425 nan 8.230 nan 0.000 0.447 127 A N -0.573 122.265 122.820 0.030 0.000 2.197 127 A HA 0.254 4.574 4.320 -0.000 0.000 0.210 127 A C 1.176 178.782 177.584 0.036 0.000 1.180 127 A CA -0.256 51.799 52.037 0.029 0.000 0.846 127 A CB 0.043 19.056 19.000 0.023 0.000 0.884 127 A HN 0.241 nan 8.150 nan 0.000 0.487 128 I N 2.348 122.943 120.570 0.041 0.000 2.624 128 I HA -0.047 4.123 4.170 -0.000 0.000 0.307 128 I C -0.270 175.879 176.117 0.053 0.000 1.191 128 I CA 0.223 61.550 61.300 0.046 0.000 1.708 128 I CB -0.207 37.823 38.000 0.050 0.000 1.521 128 I HN 0.183 nan 8.210 nan 0.000 0.805 129 K N 5.650 126.078 120.400 0.047 0.000 2.315 129 K HA 0.052 4.372 4.320 -0.000 0.000 0.281 129 K C -0.255 176.376 176.600 0.052 0.000 1.086 129 K CA 0.344 56.660 56.287 0.050 0.000 1.042 129 K CB 0.067 32.593 32.500 0.043 0.000 0.949 129 K HN 0.401 nan 8.250 nan 0.000 0.450 130 D N 1.773 122.208 120.400 0.059 0.000 2.676 130 D HA -0.031 4.609 4.640 -0.000 0.000 0.170 130 D C 0.301 176.642 176.300 0.068 0.000 1.202 130 D CA -0.101 53.933 54.000 0.057 0.000 1.364 130 D CB 0.147 40.980 40.800 0.055 0.000 1.411 130 D HN 0.244 nan 8.370 nan 0.000 0.664 131 S N 1.901 117.637 115.700 0.060 0.000 2.414 131 S HA -0.289 4.181 4.470 -0.000 0.000 0.241 131 S C 1.713 176.356 174.600 0.071 0.000 1.079 131 S CA 1.559 59.794 58.200 0.058 0.000 1.087 131 S CB 0.122 63.327 63.200 0.009 0.000 0.927 131 S HN 0.539 nan 8.310 nan 0.000 0.456 132 K N 0.729 121.159 120.400 0.051 0.000 2.062 132 K HA 0.042 4.362 4.320 -0.000 0.000 0.205 132 K C 1.990 178.659 176.600 0.115 0.000 1.051 132 K CA 0.919 57.243 56.287 0.063 0.000 0.941 132 K CB -0.079 32.438 32.500 0.028 0.000 0.719 132 K HN 0.261 nan 8.250 nan 0.000 0.440 133 K N 0.306 120.763 120.400 0.095 0.000 2.426 133 K HA 0.039 4.359 4.320 -0.000 0.000 0.193 133 K C 1.963 178.625 176.600 0.102 0.000 1.028 133 K CA 0.124 56.466 56.287 0.092 0.000 1.047 133 K CB 0.294 32.834 32.500 0.068 0.000 0.821 133 K HN 0.056 nan 8.250 nan 0.000 0.513 134 R N 0.357 120.934 120.500 0.127 0.000 2.048 134 R HA -0.017 4.323 4.340 -0.000 0.000 0.224 134 R C 1.905 178.301 176.300 0.158 0.000 1.163 134 R CA 0.975 57.152 56.100 0.128 0.000 0.956 134 R CB -0.248 30.136 30.300 0.140 0.000 0.849 134 R HN 0.103 nan 8.270 nan 0.000 0.435 135 F N 1.052 121.050 119.950 0.080 0.000 2.449 135 F HA -0.071 4.456 4.527 -0.000 0.000 0.299 135 F C 1.524 177.391 175.800 0.110 0.000 1.092 135 F CA 1.185 59.246 58.000 0.103 0.000 1.446 135 F CB 0.092 39.135 39.000 0.072 0.000 1.084 135 F HN 0.115 nan 8.300 nan 0.000 0.567 136 A N -0.939 121.949 122.820 0.114 0.000 2.267 136 A HA 0.506 4.826 4.320 -0.000 0.000 0.213 136 A C 1.945 179.581 177.584 0.086 0.000 1.192 136 A CA 0.691 52.776 52.037 0.079 0.000 0.851 136 A CB -0.671 18.394 19.000 0.109 0.000 0.881 136 A HN 0.377 nan 8.150 nan 0.000 0.494 137 A N -0.262 122.593 122.820 0.058 0.000 2.013 137 A HA 0.315 4.635 4.320 -0.000 0.000 0.204 137 A C 1.813 179.408 177.584 0.020 0.000 1.262 137 A CA 0.528 52.594 52.037 0.049 0.000 0.800 137 A CB -0.313 18.713 19.000 0.043 0.000 0.909 137 A HN 0.318 nan 8.150 nan 0.000 0.472 138 I N -1.646 118.924 120.570 -0.001 0.000 2.091 138 I HA -0.313 3.857 4.170 -0.000 0.000 0.239 138 I C 2.429 178.519 176.117 -0.045 0.000 1.061 138 I CA 2.012 63.296 61.300 -0.027 0.000 1.317 138 I CB -0.452 37.529 38.000 -0.030 0.000 1.031 138 I HN 0.677 nan 8.210 nan 0.000 0.401 139 W N 1.984 123.085 121.300 -0.331 0.000 2.321 139 W HA -0.269 4.391 4.660 -0.000 0.000 0.306 139 W C 2.622 179.039 176.519 -0.169 0.000 1.217 139 W CA 2.527 59.684 57.345 -0.313 0.000 1.257 139 W CB -0.602 28.576 29.460 -0.471 0.000 1.145 139 W HN 0.040 nan 8.180 nan 0.000 0.509 140 T N 1.178 115.718 114.554 -0.023 0.000 2.881 140 T HA -0.191 4.159 4.350 -0.000 0.000 0.270 140 T C 1.879 176.443 174.700 -0.226 0.000 1.068 140 T CA 1.547 63.535 62.100 -0.187 0.000 1.131 140 T CB -0.413 68.461 68.868 0.010 0.000 0.871 140 T HN 0.178 nan 8.240 nan 0.000 0.479 141 L N 0.968 122.101 121.223 -0.150 0.000 2.034 141 L HA -0.025 4.315 4.340 -0.000 0.000 0.203 141 L C 2.646 179.422 176.870 -0.157 0.000 1.074 141 L CA 1.125 55.891 54.840 -0.124 0.000 0.748 141 L CB -0.486 41.531 42.059 -0.070 0.000 0.905 141 L HN 0.424 nan 8.230 nan 0.000 0.439 142 C N -1.318 117.884 119.300 -0.164 0.000 2.613 142 C HA 0.078 4.538 4.460 -0.000 0.000 0.273 142 C C 2.272 177.129 174.990 -0.222 0.000 1.304 142 C CA -0.584 58.342 59.018 -0.155 0.000 1.702 142 C CB -1.690 25.991 27.740 -0.098 0.000 1.792 142 C HN 0.494 nan 8.230 nan 0.000 0.588 143 K N 1.364 121.539 120.400 -0.375 0.000 2.288 143 K HA -0.042 4.278 4.320 -0.000 0.000 0.201 143 K C 1.524 177.947 176.600 -0.295 0.000 1.048 143 K CA 1.645 57.660 56.287 -0.455 0.000 0.956 143 K CB -0.582 31.381 32.500 -0.895 0.000 0.746 143 K HN 0.361 nan 8.250 nan 0.000 0.461 144 T N 1.032 115.440 114.554 -0.244 0.000 2.852 144 T HA 0.004 4.354 4.350 -0.000 0.000 0.256 144 T C 0.380 175.008 174.700 -0.119 0.000 1.038 144 T CA 0.615 62.614 62.100 -0.168 0.000 1.141 144 T CB 0.049 68.831 68.868 -0.144 0.000 0.869 144 T HN 0.173 nan 8.240 nan 0.000 0.439 145 K N 1.934 122.272 120.400 -0.104 0.000 2.378 145 K HA 0.196 4.516 4.320 -0.000 0.000 0.288 145 K C -0.091 176.469 176.600 -0.066 0.000 1.057 145 K CA 0.148 56.392 56.287 -0.072 0.000 0.971 145 K CB 0.381 32.847 32.500 -0.056 0.000 0.975 145 K HN 0.311 nan 8.250 nan 0.000 0.475 146 M N 2.863 122.431 119.600 -0.054 0.000 2.756 146 M HA 0.154 4.634 4.480 -0.000 0.000 0.320 146 M C -0.892 175.400 176.300 -0.013 0.000 1.245 146 M CA -0.275 54.998 55.300 -0.045 0.000 0.972 146 M CB 0.656 33.221 32.600 -0.058 0.000 1.327 146 M HN 0.046 nan 8.290 nan 0.000 0.505 147 V N -0.181 119.728 119.914 -0.008 0.000 2.655 147 V HA 0.122 4.242 4.120 -0.000 0.000 0.301 147 V C -0.481 175.616 176.094 0.005 0.000 1.082 147 V CA -1.306 60.998 62.300 0.007 0.000 0.899 147 V CB 2.032 33.857 31.823 0.003 0.000 1.014 147 V HN 0.443 nan 8.190 nan 0.000 0.429 148 C N 5.804 125.113 119.300 0.015 0.000 3.155 148 C HA 0.171 4.630 4.460 -0.000 0.000 0.476 148 C C 1.058 176.052 174.990 0.006 0.000 1.027 148 C CA -0.451 58.575 59.018 0.013 0.000 1.093 148 C CB -2.019 25.736 27.740 0.026 0.000 1.497 148 C HN 0.889 nan 8.230 nan 0.000 0.586 149 E N 2.799 122.999 120.200 0.001 0.000 2.765 149 E HA -0.069 4.281 4.350 -0.000 0.000 0.256 149 E C 1.012 177.609 176.600 -0.005 0.000 0.935 149 E CA 0.414 56.811 56.400 -0.005 0.000 0.954 149 E CB 0.526 30.222 29.700 -0.006 0.000 0.908 149 E HN 0.640 nan 8.360 nan 0.000 0.500 150 T N 2.203 116.750 114.554 -0.012 0.000 3.044 150 T HA 0.020 4.370 4.350 -0.000 0.000 0.250 150 T C -0.313 174.369 174.700 -0.029 0.000 1.081 150 T CA 0.256 62.347 62.100 -0.015 0.000 1.040 150 T CB 0.279 69.139 68.868 -0.014 0.000 0.962 150 T HN 0.396 nan 8.240 nan 0.000 0.506 151 D N 0.641 121.019 120.400 -0.036 0.000 2.966 151 D HA 0.480 5.120 4.640 -0.000 0.000 0.222 151 D C -1.177 175.088 176.300 -0.057 0.000 1.292 151 D CA -0.229 53.738 54.000 -0.055 0.000 0.907 151 D CB 2.768 43.540 40.800 -0.046 0.000 1.621 151 D HN -0.047 nan 8.370 nan 0.000 0.557 152 V N 1.449 121.311 119.914 -0.086 0.000 3.007 152 V HA 0.490 4.610 4.120 -0.000 0.000 0.311 152 V C -2.426 173.618 176.094 -0.083 0.000 1.120 152 V CA -1.790 60.469 62.300 -0.069 0.000 0.980 152 V CB 2.636 34.428 31.823 -0.051 0.000 1.033 152 V HN 0.366 nan 8.190 nan 0.000 0.429 153 P HA 0.150 nan 4.420 nan 0.000 0.273 153 P C 0.284 177.564 177.300 -0.033 0.000 1.319 153 P CA 0.187 63.263 63.100 -0.040 0.000 0.885 153 P CB 0.706 32.393 31.700 -0.022 0.000 1.015 154 S N 3.299 118.969 115.700 -0.050 0.000 2.700 154 S HA -0.054 4.416 4.470 -0.000 0.000 0.250 154 S C 1.038 175.650 174.600 0.020 0.000 1.355 154 S CA -0.184 58.006 58.200 -0.016 0.000 0.970 154 S CB -0.307 62.874 63.200 -0.032 0.000 0.975 154 S HN 0.448 nan 8.310 nan 0.000 0.563 155 E N 1.183 121.407 120.200 0.039 0.000 2.461 155 E HA 0.062 4.412 4.350 -0.000 0.000 0.196 155 E C -0.170 176.440 176.600 0.017 0.000 1.129 155 E CA 0.239 56.658 56.400 0.032 0.000 0.902 155 E CB -0.263 29.460 29.700 0.039 0.000 0.963 155 E HN 0.427 nan 8.360 nan 0.000 0.503 156 D N 0.088 120.493 120.400 0.008 0.000 3.222 156 D HA 0.106 4.746 4.640 -0.000 0.000 0.190 156 D C -0.054 176.245 176.300 -0.001 0.000 1.235 156 D CA -0.470 53.532 54.000 0.003 0.000 1.213 156 D CB 0.142 40.941 40.800 -0.001 0.000 1.103 156 D HN -0.122 nan 8.370 nan 0.000 0.468 157 D N 1.815 122.212 120.400 -0.005 0.000 2.350 157 D HA 0.114 4.754 4.640 -0.000 0.000 0.249 157 D C -1.470 174.825 176.300 -0.009 0.000 1.119 157 D CA -0.986 53.010 54.000 -0.006 0.000 0.886 157 D CB 1.499 42.295 40.800 -0.007 0.000 1.195 157 D HN 0.056 nan 8.370 nan 0.000 0.437 158 P HA -0.024 nan 4.420 nan 0.000 0.242 158 P C 0.782 178.075 177.300 -0.012 0.000 1.197 158 P CA 0.480 63.574 63.100 -0.010 0.000 0.765 158 P CB 0.392 32.087 31.700 -0.008 0.000 0.936 159 T N -1.224 113.323 114.554 -0.012 0.000 3.040 159 T HA 0.057 4.407 4.350 -0.000 0.000 0.252 159 T C 0.846 175.536 174.700 -0.016 0.000 1.064 159 T CA 0.503 62.595 62.100 -0.012 0.000 1.110 159 T CB 0.017 68.879 68.868 -0.010 0.000 0.921 159 T HN 0.257 nan 8.240 nan 0.000 0.480 160 Q N 1.474 121.264 119.800 -0.017 0.000 2.340 160 Q HA 0.485 4.825 4.340 -0.000 0.000 0.259 160 Q C -1.124 174.858 176.000 -0.031 0.000 0.964 160 Q CA -0.248 55.542 55.803 -0.022 0.000 0.900 160 Q CB 1.360 30.087 28.738 -0.019 0.000 1.228 160 Q HN 0.366 nan 8.270 nan 0.000 0.449 161 L N 3.263 124.465 121.223 -0.035 0.000 2.265 161 L HA 0.434 4.774 4.340 -0.000 0.000 0.288 161 L C -0.220 176.613 176.870 -0.061 0.000 1.058 161 L CA -0.777 54.035 54.840 -0.048 0.000 0.809 161 L CB 0.800 42.834 42.059 -0.040 0.000 1.179 161 L HN 0.300 nan 8.230 nan 0.000 0.429 162 V N 1.740 121.599 119.914 -0.092 0.000 2.973 162 V HA 0.535 4.655 4.120 -0.000 0.000 0.314 162 V C 0.396 176.411 176.094 -0.132 0.000 1.066 162 V CA -0.483 61.748 62.300 -0.114 0.000 1.021 162 V CB 1.879 33.606 31.823 -0.160 0.000 1.076 162 V HN 0.930 nan 8.190 nan 0.000 0.462 163 S N 2.441 118.074 115.700 -0.111 0.000 2.689 163 S HA 0.877 5.347 4.470 -0.000 0.000 0.306 163 S C -0.303 174.250 174.600 -0.078 0.000 1.104 163 S CA -0.718 57.429 58.200 -0.087 0.000 0.973 163 S CB 2.775 65.946 63.200 -0.049 0.000 1.121 163 S HN 0.938 nan 8.310 nan 0.000 0.523 164 R N 0.321 120.798 120.500 -0.038 0.000 2.898 164 R HA 0.572 4.912 4.340 -0.000 0.000 0.092 164 R C 0.802 177.105 176.300 0.005 0.000 0.570 164 R CA -0.399 55.705 56.100 0.007 0.000 0.381 164 R CB -0.535 29.796 30.300 0.052 0.000 0.320 164 R HN 0.752 nan 8.270 nan 0.000 0.321 165 G N -0.335 108.472 108.800 0.011 0.000 2.611 165 G HA2 0.480 4.440 3.960 -0.000 0.000 0.273 165 G HA3 0.480 4.440 3.960 -0.000 0.000 0.273 165 G C -0.452 174.448 174.900 0.001 0.000 1.305 165 G CA -0.130 44.971 45.100 0.002 0.000 1.010 165 G HN 0.647 nan 8.290 nan 0.000 0.509 166 G N -3.040 105.763 108.800 0.005 0.000 2.718 166 G HA2 0.601 4.560 3.960 -0.000 0.000 0.295 166 G HA3 0.601 4.560 3.960 -0.000 0.000 0.295 166 G C -0.407 174.509 174.900 0.028 0.000 1.421 166 G CA 0.382 45.488 45.100 0.009 0.000 0.902 166 G HN 2.248 nan 8.290 nan 0.000 0.501 167 C N -0.303 119.005 119.300 0.014 0.000 3.889 167 C HA 0.100 4.560 4.460 -0.000 0.000 0.355 167 C C 1.260 176.245 174.990 -0.007 0.000 0.918 167 C CA -0.743 58.275 59.018 -0.000 0.000 3.507 167 C CB -1.559 26.206 27.740 0.041 0.000 1.133 167 C HN 2.249 nan 8.230 nan 0.000 0.613 168 G N 2.155 110.945 108.800 -0.016 0.000 2.740 168 G HA2 0.022 3.981 3.960 -0.000 0.000 0.208 168 G HA3 0.022 3.981 3.960 -0.000 0.000 0.208 168 G C 0.575 175.474 174.900 -0.002 0.000 1.148 168 G CA 0.444 45.541 45.100 -0.006 0.000 0.795 168 G HN 1.026 nan 8.290 nan 0.000 0.526 169 N N 1.866 120.552 118.700 -0.024 0.000 1.916 169 N HA -0.085 4.655 4.740 -0.000 0.000 0.307 169 N C 0.575 176.127 175.510 0.070 0.000 1.322 169 N CA 0.898 53.941 53.050 -0.011 0.000 0.808 169 N CB 0.298 38.753 38.487 -0.054 0.000 1.056 169 N HN 0.078 nan 8.380 nan 0.000 0.499 170 T N 2.967 117.582 114.554 0.102 0.000 2.946 170 T HA -0.054 4.296 4.350 -0.000 0.000 0.312 170 T C 0.767 175.602 174.700 0.226 0.000 1.066 170 T CA 0.143 62.331 62.100 0.146 0.000 1.138 170 T CB 0.559 69.528 68.868 0.168 0.000 1.014 170 T HN 0.298 nan 8.240 nan 0.000 0.544 171 Q N 3.643 123.501 119.800 0.097 0.000 2.303 171 Q HA 0.273 4.613 4.340 -0.000 0.000 0.257 171 Q C -2.208 173.687 176.000 -0.175 0.000 0.941 171 Q CA -2.020 53.790 55.803 0.012 0.000 0.931 171 Q CB 1.234 29.960 28.738 -0.019 0.000 1.215 171 Q HN 0.438 nan 8.270 nan 0.000 0.437 172 P HA 0.034 nan 4.420 nan 0.000 0.281 172 P C -0.550 176.475 177.300 -0.458 0.000 1.252 172 P CA -0.220 62.380 63.100 -0.833 0.000 0.778 172 P CB 0.999 31.451 31.700 -2.079 0.000 0.895 173 T N 4.085 118.455 114.554 -0.306 0.000 2.918 173 T HA 0.322 4.672 4.350 -0.000 0.000 0.302 173 T C 0.698 175.284 174.700 -0.190 0.000 1.045 173 T CA 0.164 62.149 62.100 -0.191 0.000 1.114 173 T CB 0.053 68.843 68.868 -0.129 0.000 0.965 173 T HN 0.254 nan 8.240 nan 0.000 0.540 174 I N 2.188 122.693 120.570 -0.108 0.000 2.740 174 I HA 0.677 4.847 4.170 -0.000 0.000 0.303 174 I C 0.076 176.186 176.117 -0.011 0.000 1.044 174 I CA -1.273 59.987 61.300 -0.066 0.000 1.064 174 I CB 1.926 39.912 38.000 -0.024 0.000 1.249 174 I HN 0.619 nan 8.210 nan 0.000 0.433 175 R N 2.613 123.114 120.500 0.001 0.000 2.774 175 R HA 0.607 4.947 4.340 -0.000 0.000 0.272 175 R C -1.397 174.924 176.300 0.034 0.000 1.000 175 R CA -1.151 54.963 56.100 0.023 0.000 0.906 175 R CB 2.140 32.449 30.300 0.015 0.000 1.227 175 R HN 0.511 nan 8.270 nan 0.000 0.468 176 K N 0.965 121.389 120.400 0.039 0.000 2.110 176 K HA 0.217 4.537 4.320 -0.000 0.000 0.263 176 K C -1.254 175.376 176.600 0.050 0.000 0.975 176 K CA -0.504 55.809 56.287 0.043 0.000 0.895 176 K CB 1.280 33.799 32.500 0.032 0.000 1.060 176 K HN 0.700 nan 8.250 nan 0.000 0.448 177 D N 2.500 122.939 120.400 0.065 0.000 2.764 177 D HA 0.243 4.883 4.640 -0.000 0.000 0.227 177 D C 0.292 176.644 176.300 0.087 0.000 1.347 177 D CA 0.726 54.767 54.000 0.067 0.000 0.953 177 D CB 1.334 42.172 40.800 0.063 0.000 1.476 177 D HN 0.841 nan 8.370 nan 0.000 0.585 178 G N 3.128 111.979 108.800 0.085 0.000 2.622 178 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.307 178 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.307 178 G C 0.595 175.573 174.900 0.130 0.000 1.226 178 G CA 0.574 45.739 45.100 0.108 0.000 0.997 178 G HN 0.561 nan 8.290 nan 0.000 0.551 179 L N 0.855 122.180 121.223 0.169 0.000 2.912 179 L HA 0.416 4.756 4.340 -0.000 0.000 0.240 179 L C 0.555 177.617 176.870 0.320 0.000 1.262 179 L CA 0.105 55.083 54.840 0.229 0.000 1.058 179 L CB -0.194 42.003 42.059 0.230 0.000 1.383 179 L HN 0.286 nan 8.230 nan 0.000 0.512 180 K N 0.816 121.371 120.400 0.259 0.000 2.508 180 K HA 0.653 4.973 4.320 -0.000 0.000 0.260 180 K C -1.219 175.518 176.600 0.229 0.000 0.949 180 K CA -0.723 55.748 56.287 0.306 0.000 0.834 180 K CB 3.091 35.705 32.500 0.190 0.000 1.365 180 K HN -0.042 nan 8.250 nan 0.000 0.437 181 L N 2.095 123.476 121.223 0.264 0.000 2.313 181 L HA 0.588 4.928 4.340 -0.000 0.000 0.283 181 L C -0.759 176.191 176.870 0.134 0.000 1.013 181 L CA -1.034 53.903 54.840 0.162 0.000 0.816 181 L CB 1.661 43.814 42.059 0.156 0.000 1.236 181 L HN 0.267 nan 8.230 nan 0.000 0.419 182 V N 1.500 121.461 119.914 0.078 0.000 2.914 182 V HA 0.915 5.035 4.120 -0.000 0.000 0.314 182 V C 0.083 176.160 176.094 -0.027 0.000 1.084 182 V CA -0.489 61.843 62.300 0.053 0.000 0.963 182 V CB 2.236 34.097 31.823 0.063 0.000 1.025 182 V HN 0.861 nan 8.190 nan 0.000 0.432 183 G N 0.961 109.698 108.800 -0.106 0.000 2.718 183 G HA2 0.631 4.591 3.960 -0.000 0.000 0.295 183 G HA3 0.631 4.591 3.960 -0.000 0.000 0.295 183 G C -0.990 173.710 174.900 -0.333 0.000 1.421 183 G CA -0.239 44.695 45.100 -0.277 0.000 0.902 183 G HN 0.923 nan 8.290 nan 0.000 0.501 184 S N 0.268 115.802 115.700 -0.277 0.000 2.451 184 S HA 0.654 5.124 4.470 -0.000 0.000 0.301 184 S C -0.828 173.680 174.600 -0.154 0.000 1.116 184 S CA -0.781 57.360 58.200 -0.098 0.000 1.093 184 S CB 1.275 64.464 63.200 -0.017 0.000 1.017 184 S HN 0.532 nan 8.310 nan 0.000 0.482 185 W N 2.471 123.776 121.300 0.008 0.000 2.349 185 W HA 0.377 5.037 4.660 -0.000 0.000 0.309 185 W C 0.007 176.524 176.519 -0.003 0.000 1.083 185 W CA -0.856 56.490 57.345 0.002 0.000 1.224 185 W CB 1.578 31.039 29.460 0.001 0.000 1.256 185 W HN 0.578 nan 8.180 nan 0.000 0.461 186 K N 3.400 123.903 120.400 0.172 0.000 2.201 186 K HA 0.311 4.631 4.320 -0.000 0.000 0.278 186 K C -0.209 176.445 176.600 0.091 0.000 1.027 186 K CA -0.364 55.984 56.287 0.101 0.000 0.909 186 K CB 1.428 33.957 32.500 0.049 0.000 1.062 186 K HN 0.243 nan 8.250 nan 0.000 0.465 187 K N 2.050 122.490 120.400 0.066 0.000 2.292 187 K HA 0.238 4.558 4.320 -0.000 0.000 0.257 187 K C -0.848 175.767 176.600 0.026 0.000 0.940 187 K CA -0.843 55.469 56.287 0.042 0.000 0.811 187 K CB 1.728 34.247 32.500 0.032 0.000 1.120 187 K HN 0.473 nan 8.250 nan 0.000 0.428 188 D N 1.631 122.041 120.400 0.017 0.000 2.385 188 D HA 0.486 5.126 4.640 -0.000 0.000 0.254 188 D C -0.564 175.740 176.300 0.006 0.000 1.053 188 D CA -0.284 53.723 54.000 0.011 0.000 0.992 188 D CB 1.502 42.306 40.800 0.008 0.000 1.145 188 D HN 0.452 nan 8.370 nan 0.000 0.523 196 E N 0.238 120.451 120.200 0.021 0.000 7.825 196 E HA -0.129 4.221 4.350 -0.000 0.000 0.465 196 E C -2.631 173.992 176.600 0.039 0.000 0.585 196 E CA -0.434 55.981 56.400 0.026 0.000 1.026 196 E CB -0.055 29.659 29.700 0.022 0.000 0.978 196 E HN 0.173 nan 8.360 nan 0.000 0.265 197 P HA 0.132 nan 4.420 nan 0.000 0.286 197 P C -0.883 176.471 177.300 0.090 0.000 1.293 197 P CA 0.114 63.257 63.100 0.071 0.000 0.770 197 P CB 0.508 32.243 31.700 0.059 0.000 1.206 198 E N 0.155 120.441 120.200 0.143 0.000 2.448 198 E HA 0.315 4.665 4.350 -0.000 0.000 0.288 198 E C -1.248 175.505 176.600 0.254 0.000 0.936 198 E CA -0.347 56.150 56.400 0.160 0.000 0.809 198 E CB 0.555 30.342 29.700 0.144 0.000 1.408 198 E HN 0.313 nan 8.360 nan 0.000 0.393 199 L N 4.556 125.885 121.223 0.177 0.000 2.289 199 L HA 0.637 4.977 4.340 -0.000 0.000 0.285 199 L C 0.109 177.098 176.870 0.198 0.000 1.049 199 L CA -0.630 54.324 54.840 0.190 0.000 0.804 199 L CB 1.103 43.224 42.059 0.104 0.000 1.195 199 L HN 0.489 nan 8.230 nan 0.000 0.428 200 R N 1.561 122.231 120.500 0.284 0.000 2.680 200 R HA 0.664 5.004 4.340 -0.000 0.000 0.269 200 R C -1.796 174.639 176.300 0.225 0.000 1.026 200 R CA -0.882 55.354 56.100 0.227 0.000 0.889 200 R CB 1.449 31.879 30.300 0.217 0.000 1.241 200 R HN 0.216 nan 8.270 nan 0.000 0.463 201 V N 3.378 123.380 119.914 0.147 0.000 2.583 201 V HA 0.209 4.329 4.120 -0.000 0.000 0.287 201 V C 0.347 176.543 176.094 0.171 0.000 1.051 201 V CA -0.548 61.835 62.300 0.138 0.000 1.010 201 V CB 1.096 32.973 31.823 0.090 0.000 0.988 201 V HN 0.559 nan 8.190 nan 0.000 0.478 202 L N 5.263 126.602 121.223 0.193 0.000 2.312 202 L HA 0.246 4.586 4.340 -0.000 0.000 0.287 202 L C 0.892 177.868 176.870 0.177 0.000 1.091 202 L CA -0.058 54.914 54.840 0.219 0.000 0.846 202 L CB 0.650 42.859 42.059 0.249 0.000 1.219 202 L HN 0.862 nan 8.230 nan 0.000 0.439 203 S N 0.799 116.576 115.700 0.129 0.000 2.552 203 S HA 0.011 4.481 4.470 -0.000 0.000 0.289 203 S C 1.287 175.917 174.600 0.051 0.000 1.304 203 S CA -0.385 57.855 58.200 0.067 0.000 1.063 203 S CB 1.045 64.280 63.200 0.059 0.000 0.848 203 S HN 0.639 nan 8.310 nan 0.000 0.499 204 T N 3.382 117.894 114.554 -0.070 0.000 2.597 204 T HA -0.217 4.133 4.350 -0.000 0.000 0.267 204 T C 1.507 176.210 174.700 0.005 0.000 1.053 204 T CA 2.191 64.209 62.100 -0.137 0.000 1.165 204 T CB -0.845 67.833 68.868 -0.317 0.000 0.863 204 T HN 0.879 nan 8.240 nan 0.000 0.427 205 E N 0.789 120.990 120.200 0.001 0.000 2.253 205 E HA -0.240 4.110 4.350 -0.000 0.000 0.202 205 E C 2.127 178.772 176.600 0.075 0.000 1.014 205 E CA 1.392 57.813 56.400 0.034 0.000 0.823 205 E CB -0.160 29.556 29.700 0.027 0.000 0.736 205 E HN 0.665 nan 8.360 nan 0.000 0.478 206 E N 0.325 120.585 120.200 0.101 0.000 2.042 206 E HA -0.137 4.213 4.350 -0.000 0.000 0.189 206 E C 1.987 178.707 176.600 0.199 0.000 0.974 206 E CA 0.534 57.018 56.400 0.139 0.000 0.806 206 E CB 0.154 29.943 29.700 0.150 0.000 0.769 206 E HN 0.092 nan 8.360 nan 0.000 0.451 207 I N 2.050 122.769 120.570 0.249 0.000 2.069 207 I HA -0.314 3.856 4.170 -0.000 0.000 0.237 207 I C 2.787 179.171 176.117 0.446 0.000 1.053 207 I CA 1.192 62.727 61.300 0.393 0.000 1.311 207 I CB -1.467 36.793 38.000 0.433 0.000 1.030 207 I HN 0.367 nan 8.210 nan 0.000 0.398 208 L N 0.983 122.357 121.223 0.250 0.000 2.034 208 L HA -0.332 4.008 4.340 -0.000 0.000 0.217 208 L C 2.583 179.577 176.870 0.206 0.000 1.077 208 L CA 2.098 57.042 54.840 0.174 0.000 0.769 208 L CB -0.511 41.599 42.059 0.084 0.000 0.890 208 L HN 0.391 nan 8.230 nan 0.000 0.435 209 N N 0.506 119.298 118.700 0.154 0.000 2.043 209 N HA -0.239 4.501 4.740 -0.000 0.000 0.193 209 N C 1.852 177.429 175.510 0.113 0.000 1.037 209 N CA 2.344 55.444 53.050 0.084 0.000 0.851 209 N CB -0.262 38.274 38.487 0.082 0.000 1.027 209 N HN 0.511 nan 8.380 nan 0.000 0.422 210 I N -0.158 120.529 120.570 0.194 0.000 2.454 210 I HA -0.228 3.942 4.170 -0.000 0.000 0.254 210 I C 1.628 177.775 176.117 0.049 0.000 1.156 210 I CA 0.815 62.196 61.300 0.134 0.000 1.433 210 I CB -0.374 37.682 38.000 0.094 0.000 1.082 210 I HN 0.017 nan 8.210 nan 0.000 0.432 211 F N 1.205 121.186 119.950 0.050 0.000 2.234 211 F HA -0.057 4.470 4.527 -0.000 0.000 0.296 211 F C 2.473 178.281 175.800 0.012 0.000 1.089 211 F CA 1.142 59.162 58.000 0.033 0.000 1.343 211 F CB -0.391 38.625 39.000 0.026 0.000 1.040 211 F HN -0.155 nan 8.300 nan 0.000 0.498 212 K N -0.631 119.843 120.400 0.123 0.000 2.032 212 K HA -0.193 4.127 4.320 -0.000 0.000 0.209 212 K C 1.988 178.543 176.600 -0.075 0.000 1.048 212 K CA 1.479 57.752 56.287 -0.023 0.000 0.927 212 K CB -0.372 32.043 32.500 -0.142 0.000 0.712 212 K HN 0.252 nan 8.250 nan 0.000 0.441 213 H N 0.705 119.755 119.070 -0.034 0.000 2.421 213 H HA -0.012 4.544 4.556 -0.000 0.000 0.298 213 H C 0.637 175.865 175.328 -0.166 0.000 1.087 213 H CA 0.630 56.623 56.048 -0.092 0.000 1.330 213 H CB -0.458 29.257 29.762 -0.079 0.000 1.388 213 H HN 0.118 nan 8.280 nan 0.000 0.526 214 I N 1.812 122.347 120.570 -0.059 0.000 3.076 214 I HA -0.194 3.976 4.170 -0.000 0.000 0.321 214 I C 1.174 177.046 176.117 -0.408 0.000 1.216 214 I CA 0.405 61.587 61.300 -0.195 0.000 1.460 214 I CB 0.135 38.037 38.000 -0.164 0.000 1.313 214 I HN 0.108 nan 8.210 nan 0.000 0.546 215 S N 4.765 120.271 115.700 -0.325 0.000 2.558 215 S HA 0.034 4.504 4.470 -0.000 0.000 0.288 215 S C 1.270 175.516 174.600 -0.589 0.000 1.318 215 S CA -0.736 57.253 58.200 -0.351 0.000 1.056 215 S CB 0.984 64.069 63.200 -0.192 0.000 0.853 215 S HN 0.395 nan 8.310 nan 0.000 0.505 216 V N 5.676 125.291 119.914 -0.499 0.000 2.407 216 V HA -0.127 3.993 4.120 -0.000 0.000 0.248 216 V C 2.355 178.361 176.094 -0.146 0.000 1.055 216 V CA 1.838 63.879 62.300 -0.432 0.000 1.049 216 V CB -0.615 31.104 31.823 -0.174 0.000 0.662 216 V HN 0.825 nan 8.190 nan 0.000 0.455 217 K N -0.630 119.709 120.400 -0.103 0.000 2.418 217 K HA -0.045 4.275 4.320 -0.000 0.000 0.195 217 K C 1.568 178.176 176.600 0.013 0.000 1.035 217 K CA 0.583 56.864 56.287 -0.011 0.000 1.003 217 K CB -0.034 32.455 32.500 -0.019 0.000 0.793 217 K HN 0.451 nan 8.250 nan 0.000 0.494 218 D N 0.626 120.996 120.400 -0.050 0.000 2.137 218 D HA -0.041 4.599 4.640 -0.000 0.000 0.202 218 D C 1.639 178.015 176.300 0.128 0.000 0.970 218 D CA 0.705 54.703 54.000 -0.003 0.000 0.837 218 D CB -0.132 40.617 40.800 -0.085 0.000 0.981 218 D HN 0.081 nan 8.370 nan 0.000 0.475 219 F N 1.474 121.419 119.950 -0.008 0.000 2.021 219 F HA -0.342 4.185 4.527 -0.000 0.000 0.297 219 F C 2.657 178.538 175.800 0.134 0.000 1.152 219 F CA 1.319 59.318 58.000 -0.001 0.000 1.201 219 F CB -0.708 38.300 39.000 0.013 0.000 0.951 219 F HN -0.033 nan 8.300 nan 0.000 0.504 220 T N 0.312 115.095 114.554 0.381 0.000 2.493 220 T HA -0.338 4.012 4.350 -0.000 0.000 0.256 220 T C 1.928 176.764 174.700 0.226 0.000 1.195 220 T CA 2.600 64.855 62.100 0.257 0.000 1.183 220 T CB -0.933 68.040 68.868 0.176 0.000 0.863 220 T HN 0.418 nan 8.240 nan 0.000 0.418 221 S N 1.283 117.088 115.700 0.175 0.000 2.400 221 S HA -0.121 4.348 4.470 -0.000 0.000 0.234 221 S C 0.965 175.698 174.600 0.222 0.000 1.049 221 S CA 0.912 59.204 58.200 0.154 0.000 1.039 221 S CB -0.657 62.606 63.200 0.105 0.000 0.856 221 S HN 0.430 nan 8.310 nan 0.000 0.465 222 L N 2.529 123.936 121.223 0.307 0.000 2.287 222 L HA 0.371 4.711 4.340 -0.000 0.000 0.280 222 L C 1.102 178.314 176.870 0.570 0.000 1.055 222 L CA -0.494 54.639 54.840 0.488 0.000 0.863 222 L CB 0.378 42.741 42.059 0.507 0.000 1.245 222 L HN 0.430 nan 8.230 nan 0.000 0.432 223 G N 3.374 112.405 108.800 0.385 0.000 2.176 223 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.273 223 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.273 223 G C -0.102 174.721 174.900 -0.127 0.000 0.730 223 G CA 0.725 45.887 45.100 0.103 0.000 0.879 223 G HN 0.384 nan 8.290 nan 0.000 0.454 224 F N -1.140 118.820 119.950 0.018 0.000 2.835 224 F HA 0.645 5.172 4.527 -0.000 0.000 0.373 224 F C 0.312 176.116 175.800 0.007 0.000 1.209 224 F CA -1.582 56.400 58.000 -0.030 0.000 1.082 224 F CB 1.716 40.658 39.000 -0.096 0.000 1.472 224 F HN 0.052 nan 8.300 nan 0.000 0.519 225 N N -0.195 118.622 118.700 0.195 0.000 2.549 225 N HA 0.114 4.854 4.740 -0.000 0.000 0.290 225 N C 0.046 175.585 175.510 0.047 0.000 1.122 225 N CA -0.178 52.943 53.050 0.119 0.000 0.885 225 N CB 1.237 39.810 38.487 0.143 0.000 1.455 225 N HN 0.648 nan 8.380 nan 0.000 0.521 226 E N 2.006 122.245 120.200 0.066 0.000 2.284 226 E HA -0.185 4.165 4.350 -0.000 0.000 0.200 226 E C 0.451 177.071 176.600 0.034 0.000 1.008 226 E CA 1.622 58.078 56.400 0.092 0.000 0.829 226 E CB 0.284 30.084 29.700 0.166 0.000 0.744 226 E HN 0.532 nan 8.360 nan 0.000 0.491 227 V N -1.159 118.695 119.914 -0.099 0.000 2.788 227 V HA -0.005 4.115 4.120 -0.000 0.000 0.241 227 V C 1.655 177.672 176.094 -0.129 0.000 1.083 227 V CA 0.841 62.993 62.300 -0.247 0.000 1.103 227 V CB -0.372 30.997 31.823 -0.757 0.000 0.800 227 V HN 0.202 nan 8.190 nan 0.000 0.476 228 F N 1.219 121.262 119.950 0.155 0.000 2.500 228 F HA 0.216 4.743 4.527 -0.000 0.000 0.285 228 F C 1.146 177.035 175.800 0.149 0.000 1.088 228 F CA 0.564 58.609 58.000 0.074 0.000 1.432 228 F CB 0.367 39.385 39.000 0.031 0.000 1.131 228 F HN 0.204 nan 8.300 nan 0.000 0.582 229 S N 0.648 116.609 115.700 0.435 0.000 2.620 229 S HA 0.482 4.952 4.470 -0.000 0.000 0.244 229 S C -0.824 174.023 174.600 0.411 0.000 1.192 229 S CA -0.820 57.661 58.200 0.468 0.000 1.148 229 S CB 0.780 64.128 63.200 0.246 0.000 1.106 229 S HN 0.098 nan 8.310 nan 0.000 0.474 230 R N 3.001 123.722 120.500 0.368 0.000 2.229 230 R HA 0.360 4.700 4.340 -0.000 0.000 0.328 230 R C -2.044 174.068 176.300 -0.313 0.000 1.009 230 R CA -2.282 53.459 56.100 -0.598 0.000 0.864 230 R CB 0.771 30.293 30.300 -1.297 0.000 1.085 230 R HN 0.311 nan 8.270 nan 0.000 0.453 231 P HA -0.325 nan 4.420 nan 0.000 0.222 231 P C 0.680 177.939 177.300 -0.067 0.000 1.155 231 P CA 1.562 64.464 63.100 -0.330 0.000 0.890 231 P CB 0.115 31.573 31.700 -0.402 0.000 0.790 232 E N -2.160 117.990 120.200 -0.083 0.000 2.510 232 E HA -0.189 4.161 4.350 -0.000 0.000 0.202 232 E C 0.916 177.481 176.600 -0.058 0.000 1.072 232 E CA 0.605 56.952 56.400 -0.087 0.000 0.883 232 E CB -0.785 28.826 29.700 -0.148 0.000 0.818 232 E HN 0.388 nan 8.360 nan 0.000 0.548 233 W N 0.115 121.445 121.300 0.050 0.000 3.103 233 W HA 0.340 5.000 4.660 -0.000 0.000 0.325 233 W C 1.384 178.009 176.519 0.176 0.000 1.170 233 W CA -0.320 57.089 57.345 0.106 0.000 1.712 233 W CB -0.007 29.530 29.460 0.129 0.000 1.068 233 W HN 0.125 nan 8.180 nan 0.000 0.592 234 M N -0.015 119.807 119.600 0.371 0.000 2.686 234 M HA 0.046 4.526 4.480 -0.000 0.000 0.246 234 M C 0.288 176.783 176.300 0.325 0.000 1.096 234 M CA 1.197 56.797 55.300 0.501 0.000 1.076 234 M CB -0.046 32.738 32.600 0.307 0.000 1.504 234 M HN -0.326 nan 8.290 nan 0.000 0.524 235 I N 1.309 122.002 120.570 0.205 0.000 2.378 235 I HA 0.278 4.447 4.170 -0.000 0.000 0.291 235 I C -0.582 175.619 176.117 0.140 0.000 0.992 235 I CA -0.704 60.697 61.300 0.168 0.000 1.154 235 I CB 1.794 39.851 38.000 0.095 0.000 1.315 235 I HN 0.014 nan 8.210 nan 0.000 0.448 236 L N 6.204 127.478 121.223 0.085 0.000 2.278 236 L HA 0.339 4.679 4.340 -0.000 0.000 0.287 236 L C 0.776 177.672 176.870 0.045 0.000 1.072 236 L CA -0.188 54.679 54.840 0.046 0.000 0.819 236 L CB 0.748 42.792 42.059 -0.025 0.000 1.176 236 L HN 0.663 nan 8.230 nan 0.000 0.435 237 T N 0.714 115.313 114.554 0.076 0.000 2.898 237 T HA -0.015 4.335 4.350 -0.000 0.000 0.241 237 T C 0.506 175.233 174.700 0.045 0.000 1.024 237 T CA 0.415 62.555 62.100 0.067 0.000 1.174 237 T CB 0.243 69.175 68.868 0.107 0.000 0.873 237 T HN 0.632 nan 8.240 nan 0.000 0.422 238 C N 2.107 121.446 119.300 0.065 0.000 2.376 238 C HA 0.788 5.248 4.460 -0.000 0.000 0.335 238 C C -0.878 174.126 174.990 0.023 0.000 1.229 238 C CA -1.118 57.929 59.018 0.049 0.000 1.867 238 C CB 0.119 27.933 27.740 0.123 0.000 2.319 238 C HN 0.439 nan 8.230 nan 0.000 0.515 239 L N 8.097 129.318 121.223 -0.004 0.000 2.295 239 L HA 0.533 4.873 4.340 -0.000 0.000 0.281 239 L C -2.038 174.846 176.870 0.022 0.000 1.018 239 L CA -2.058 52.773 54.840 -0.016 0.000 0.841 239 L CB 1.489 43.523 42.059 -0.042 0.000 1.218 239 L HN 0.543 nan 8.230 nan 0.000 0.424 240 P HA -0.004 nan 4.420 nan 0.000 0.262 240 P C -0.708 176.719 177.300 0.212 0.000 1.199 240 P CA 0.088 63.221 63.100 0.056 0.000 0.763 240 P CB 0.759 32.290 31.700 -0.282 0.000 0.790 241 V N 6.847 126.904 119.914 0.239 0.000 2.270 241 V HA 0.175 4.295 4.120 -0.000 0.000 0.263 241 V C -1.621 174.384 176.094 -0.148 0.000 1.066 241 V CA -2.017 60.334 62.300 0.085 0.000 0.857 241 V CB 0.607 32.450 31.823 0.034 0.000 1.099 241 V HN 0.545 nan 8.190 nan 0.000 0.476 242 P HA 0.069 nan 4.420 nan 0.000 0.263 242 P C -2.488 174.511 177.300 -0.503 0.000 1.175 242 P CA -0.588 62.058 63.100 -0.757 0.000 0.761 242 P CB 0.147 31.679 31.700 -0.280 0.000 0.794 243 P HA 0.137 nan 4.420 nan 0.000 0.276 243 P C -1.751 175.423 177.300 -0.209 0.000 1.252 243 P CA -1.700 61.209 63.100 -0.318 0.000 0.802 243 P CB -0.313 31.192 31.700 -0.325 0.000 1.035 244 P HA -0.199 nan 4.420 nan 0.000 0.216 244 P C -1.174 176.065 177.300 -0.102 0.000 1.151 244 P CA 2.892 65.933 63.100 -0.099 0.000 0.953 244 P CB -2.393 29.263 31.700 -0.074 0.000 0.789 245 P HA -0.114 nan 4.420 nan 0.000 0.222 245 P C 1.486 178.733 177.300 -0.090 0.000 1.139 245 P CA 1.085 64.130 63.100 -0.091 0.000 0.790 245 P CB -0.458 31.187 31.700 -0.091 0.000 0.757 246 V N -0.794 119.055 119.914 -0.109 0.000 2.825 246 V HA -0.014 4.106 4.120 -0.000 0.000 0.246 246 V C 1.429 177.477 176.094 -0.076 0.000 1.068 246 V CA 1.094 63.339 62.300 -0.093 0.000 1.088 246 V CB -0.686 31.066 31.823 -0.119 0.000 0.733 246 V HN 0.214 nan 8.190 nan 0.000 0.468 247 R N 1.151 121.604 120.500 -0.079 0.000 2.782 247 R HA 0.344 4.684 4.340 -0.000 0.000 0.293 247 R C -2.977 173.279 176.300 -0.073 0.000 1.333 247 R CA -1.399 54.663 56.100 -0.064 0.000 1.479 247 R CB 0.054 30.330 30.300 -0.039 0.000 1.306 247 R HN 0.233 nan 8.270 nan 0.000 0.654 248 P HA -0.080 nan 4.420 nan 0.000 0.268 248 P C 0.146 177.389 177.300 -0.095 0.000 1.208 248 P CA 0.341 63.392 63.100 -0.083 0.000 0.777 248 P CB 1.290 32.941 31.700 -0.081 0.000 0.875 249 S N 2.213 117.853 115.700 -0.101 0.000 2.307 249 S HA 0.528 4.998 4.470 -0.000 0.000 0.252 249 S C 0.430 174.929 174.600 -0.169 0.000 1.204 249 S CA -0.487 57.640 58.200 -0.122 0.000 1.018 249 S CB 0.114 63.252 63.200 -0.104 0.000 1.077 249 S HN 0.498 nan 8.310 nan 0.000 0.454 250 I N 1.243 121.667 120.570 -0.244 0.000 2.495 250 I HA 0.082 4.252 4.170 -0.000 0.000 0.251 250 I C -0.966 174.783 176.117 -0.613 0.000 1.339 250 I CA -0.254 60.810 61.300 -0.392 0.000 1.181 250 I CB 1.369 39.116 38.000 -0.422 0.000 1.539 250 I HN 0.696 nan 8.210 nan 0.000 0.458 251 S N 3.545 119.002 115.700 -0.405 0.000 2.474 251 S HA 0.465 4.935 4.470 -0.000 0.000 0.276 251 S C -0.208 174.191 174.600 -0.335 0.000 1.227 251 S CA -0.361 57.645 58.200 -0.322 0.000 1.050 251 S CB 0.094 63.211 63.200 -0.138 0.000 0.939 251 S HN 0.369 nan 8.310 nan 0.000 0.490 252 F N 3.786 123.732 119.950 -0.007 0.000 2.669 252 F HA 0.324 4.851 4.527 0.000 0.000 0.353 252 F C 1.378 177.176 175.800 -0.003 0.000 1.192 252 F CA -0.471 57.526 58.000 -0.005 0.000 1.317 252 F CB -1.085 37.912 39.000 -0.005 0.000 1.652 252 F HN 0.741 nan 8.300 nan 0.000 0.608 253 N N 0.109 118.863 118.700 0.091 0.000 2.731 253 N HA -0.239 4.501 4.740 -0.000 0.000 0.222 253 N C 1.040 176.571 175.510 0.036 0.000 0.263 253 N CA 1.635 54.720 53.050 0.059 0.000 4.078 253 N CB -0.569 37.962 38.487 0.073 0.000 0.942 253 N HN 0.470 nan 8.380 nan 0.000 0.234 254 E N -0.790 119.440 120.200 0.049 0.000 3.769 254 E HA 0.101 4.451 4.350 -0.000 0.000 0.265 254 E C -0.105 176.521 176.600 0.043 0.000 1.260 254 E CA 0.616 57.035 56.400 0.033 0.000 1.835 254 E CB -0.034 29.680 29.700 0.023 0.000 1.819 254 E HN 0.284 nan 8.360 nan 0.000 0.824 255 S N 1.854 117.581 115.700 0.046 0.000 3.305 255 S HA 0.156 4.626 4.470 -0.000 0.000 0.248 255 S C 0.077 174.717 174.600 0.068 0.000 1.288 255 S CA 0.157 58.385 58.200 0.046 0.000 1.249 255 S CB -0.352 62.869 63.200 0.034 0.000 1.116 255 S HN 0.136 nan 8.310 nan 0.000 0.465 256 Q N 0.062 119.919 119.800 0.095 0.000 2.377 256 Q HA 0.433 4.773 4.340 -0.000 0.000 0.279 256 Q C -0.243 175.847 176.000 0.148 0.000 1.049 256 Q CA -1.026 54.869 55.803 0.152 0.000 0.825 256 Q CB 2.088 30.984 28.738 0.264 0.000 1.401 256 Q HN 0.349 nan 8.270 nan 0.000 0.404 257 R N -0.240 120.363 120.500 0.172 0.000 2.225 257 R HA 0.615 4.955 4.340 -0.000 0.000 0.139 257 R C 0.531 176.894 176.300 0.104 0.000 0.745 257 R CA 0.313 56.490 56.100 0.128 0.000 1.634 257 R CB -0.040 30.346 30.300 0.142 0.000 1.019 257 R HN 0.877 nan 8.270 nan 0.000 0.629 258 G N -0.025 108.822 108.800 0.079 0.000 2.240 258 G HA2 -0.121 3.838 3.960 -0.000 0.000 0.181 258 G HA3 -0.121 3.838 3.960 -0.000 0.000 0.181 258 G C -0.620 174.225 174.900 -0.092 0.000 1.028 258 G CA -0.636 44.448 45.100 -0.026 0.000 0.760 258 G HN 0.241 nan 8.290 nan 0.000 0.508 259 E N 1.631 121.799 120.200 -0.054 0.000 2.417 259 E HA 0.114 4.464 4.350 -0.000 0.000 0.261 259 E C 0.555 176.991 176.600 -0.274 0.000 1.000 259 E CA -0.115 56.227 56.400 -0.097 0.000 0.919 259 E CB 0.920 30.660 29.700 0.066 0.000 0.955 259 E HN 0.451 nan 8.360 nan 0.000 0.455 260 D N 2.157 122.436 120.400 -0.203 0.000 2.341 260 D HA -0.130 4.510 4.640 -0.000 0.000 0.235 260 D C 0.811 176.912 176.300 -0.331 0.000 1.265 260 D CA 0.134 54.003 54.000 -0.218 0.000 0.888 260 D CB 0.790 41.515 40.800 -0.125 0.000 1.192 260 D HN 0.388 nan 8.370 nan 0.000 0.462 261 D N 0.767 121.019 120.400 -0.247 0.000 2.084 261 D HA -0.134 4.506 4.640 -0.000 0.000 0.194 261 D C 2.229 178.493 176.300 -0.060 0.000 0.990 261 D CA 0.774 54.648 54.000 -0.211 0.000 0.826 261 D CB 0.157 40.893 40.800 -0.107 0.000 0.971 261 D HN 0.368 nan 8.370 nan 0.000 0.453 262 L N 0.631 121.851 121.223 -0.005 0.000 1.989 262 L HA -0.191 4.149 4.340 -0.000 0.000 0.211 262 L C 2.526 179.468 176.870 0.121 0.000 1.071 262 L CA 1.364 56.266 54.840 0.103 0.000 0.749 262 L CB -0.719 41.399 42.059 0.099 0.000 0.890 262 L HN 0.029 nan 8.230 nan 0.000 0.431 263 T N -0.541 114.053 114.554 0.067 0.000 3.003 263 T HA -0.218 4.132 4.350 -0.000 0.000 0.270 263 T C 1.415 176.279 174.700 0.273 0.000 1.153 263 T CA 1.292 63.457 62.100 0.107 0.000 1.089 263 T CB -0.360 68.549 68.868 0.067 0.000 0.838 263 T HN 0.267 nan 8.240 nan 0.000 0.562 264 F N 0.420 120.360 119.950 -0.017 0.000 2.274 264 F HA 0.124 4.651 4.527 -0.000 0.000 0.288 264 F C 2.264 178.021 175.800 -0.071 0.000 1.069 264 F CA 0.001 57.981 58.000 -0.034 0.000 1.343 264 F CB 0.194 39.182 39.000 -0.021 0.000 1.089 264 F HN -0.092 nan 8.300 nan 0.000 0.517 265 K N 0.908 121.390 120.400 0.137 0.000 2.280 265 K HA -0.105 4.215 4.320 -0.000 0.000 0.202 265 K C 1.742 178.252 176.600 -0.150 0.000 1.047 265 K CA 0.839 57.108 56.287 -0.030 0.000 0.942 265 K CB -0.520 32.022 32.500 0.069 0.000 0.739 265 K HN 0.260 nan 8.250 nan 0.000 0.457 266 L N -0.442 120.696 121.223 -0.142 0.000 2.005 266 L HA -0.147 4.193 4.340 -0.000 0.000 0.207 266 L C 2.354 179.153 176.870 -0.119 0.000 1.072 266 L CA 1.364 56.072 54.840 -0.220 0.000 0.744 266 L CB -0.802 41.165 42.059 -0.153 0.000 0.895 266 L HN 0.170 nan 8.230 nan 0.000 0.433 267 A N 0.009 122.792 122.820 -0.061 0.000 1.927 267 A HA -0.281 4.039 4.320 -0.000 0.000 0.220 267 A C 1.951 179.484 177.584 -0.085 0.000 1.185 267 A CA 2.327 54.323 52.037 -0.068 0.000 0.639 267 A CB -0.586 18.354 19.000 -0.100 0.000 0.820 267 A HN 0.418 nan 8.150 nan 0.000 0.451 268 D N -0.387 119.941 120.400 -0.121 0.000 2.103 268 D HA -0.042 4.598 4.640 -0.000 0.000 0.199 268 D C 1.966 178.297 176.300 0.050 0.000 0.978 268 D CA 0.963 54.894 54.000 -0.116 0.000 0.829 268 D CB -0.298 40.221 40.800 -0.468 0.000 0.981 268 D HN 0.496 nan 8.370 nan 0.000 0.464 269 I N 0.791 121.349 120.570 -0.018 0.000 2.208 269 I HA -0.244 3.925 4.170 -0.000 0.000 0.245 269 I C 2.329 178.451 176.117 0.008 0.000 1.097 269 I CA 0.504 61.827 61.300 0.038 0.000 1.363 269 I CB -0.062 37.874 38.000 -0.107 0.000 1.051 269 I HN 0.049 nan 8.210 nan 0.000 0.413 270 L N 1.148 122.349 121.223 -0.037 0.000 2.017 270 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 270 L C 2.375 179.236 176.870 -0.014 0.000 1.073 270 L CA 1.919 56.738 54.840 -0.035 0.000 0.745 270 L CB -0.918 41.119 42.059 -0.038 0.000 0.894 270 L HN 0.113 nan 8.230 nan 0.000 0.432 271 K N -0.417 119.983 120.400 -0.001 0.000 1.991 271 K HA -0.120 4.200 4.320 -0.000 0.000 0.212 271 K C 1.841 178.452 176.600 0.020 0.000 1.049 271 K CA 1.637 57.928 56.287 0.005 0.000 0.932 271 K CB -0.498 32.010 32.500 0.014 0.000 0.717 271 K HN 0.429 nan 8.250 nan 0.000 0.441 272 A N 0.974 123.833 122.820 0.065 0.000 2.248 272 A HA -0.139 4.181 4.320 -0.000 0.000 0.210 272 A C 1.575 179.166 177.584 0.012 0.000 1.174 272 A CA 1.417 53.478 52.037 0.040 0.000 0.750 272 A CB -0.570 18.465 19.000 0.057 0.000 0.780 272 A HN 0.344 nan 8.150 nan 0.000 0.478 273 N N -0.353 118.350 118.700 0.005 0.000 2.513 273 N HA 0.102 4.842 4.740 -0.000 0.000 0.196 273 N C 1.424 176.922 175.510 -0.021 0.000 1.041 273 N CA 0.660 53.702 53.050 -0.012 0.000 0.916 273 N CB -0.169 38.305 38.487 -0.023 0.000 1.172 273 N HN 0.291 nan 8.380 nan 0.000 0.444 274 I N 0.857 121.409 120.570 -0.029 0.000 2.315 274 I HA -0.289 3.881 4.170 -0.000 0.000 0.251 274 I C 2.107 178.205 176.117 -0.031 0.000 1.125 274 I CA 1.461 62.737 61.300 -0.040 0.000 1.392 274 I CB -0.414 37.551 38.000 -0.059 0.000 1.065 274 I HN 0.352 nan 8.210 nan 0.000 0.424 275 S N 0.879 116.564 115.700 -0.025 0.000 2.406 275 S HA -0.164 4.306 4.470 -0.000 0.000 0.228 275 S C 1.983 176.569 174.600 -0.023 0.000 1.020 275 S CA 0.680 58.866 58.200 -0.024 0.000 0.965 275 S CB -0.563 62.624 63.200 -0.022 0.000 0.798 275 S HN 0.375 nan 8.310 nan 0.000 0.488 276 L N 2.027 123.238 121.223 -0.020 0.000 1.994 276 L HA 0.009 4.349 4.340 -0.000 0.000 0.208 276 L C 2.770 179.631 176.870 -0.016 0.000 1.071 276 L CA 2.346 57.174 54.840 -0.020 0.000 0.745 276 L CB -0.790 41.259 42.059 -0.018 0.000 0.892 276 L HN 0.477 nan 8.230 nan 0.000 0.431 277 E N -1.122 119.076 120.200 -0.003 0.000 2.085 277 E HA -0.255 4.095 4.350 -0.000 0.000 0.194 277 E C 1.632 178.255 176.600 0.040 0.000 0.994 277 E CA 1.807 58.224 56.400 0.029 0.000 0.801 277 E CB -0.138 29.582 29.700 0.033 0.000 0.743 277 E HN 0.517 nan 8.360 nan 0.000 0.453 278 T N 0.963 115.523 114.554 0.009 0.000 3.139 278 T HA -0.022 4.328 4.350 -0.000 0.000 0.267 278 T C 1.341 176.036 174.700 -0.009 0.000 1.164 278 T CA 0.472 62.575 62.100 0.004 0.000 1.075 278 T CB 0.014 68.871 68.868 -0.018 0.000 0.904 278 T HN 0.197 nan 8.240 nan 0.000 0.540 279 L N -0.349 120.859 121.223 -0.025 0.000 2.817 279 L HA 0.294 4.634 4.340 -0.000 0.000 0.248 279 L C 1.713 178.524 176.870 -0.098 0.000 1.133 279 L CA 0.385 55.190 54.840 -0.058 0.000 0.935 279 L CB 0.249 42.272 42.059 -0.060 0.000 1.266 279 L HN 0.211 nan 8.230 nan 0.000 0.535 280 E N -0.714 119.428 120.200 -0.097 0.000 2.481 280 E HA 0.094 4.444 4.350 -0.000 0.000 0.198 280 E C 0.078 176.443 176.600 -0.391 0.000 1.027 280 E CA 0.129 56.401 56.400 -0.213 0.000 0.900 280 E CB 0.597 30.179 29.700 -0.197 0.000 0.993 280 E HN 0.378 nan 8.360 nan 0.000 0.482 281 H N -0.017 119.019 119.070 -0.057 0.000 2.907 281 H HA 0.359 4.915 4.556 -0.000 0.000 0.233 281 H C -0.381 174.916 175.328 -0.052 0.000 1.285 281 H CA -0.141 55.878 56.048 -0.048 0.000 0.981 281 H CB 0.313 30.052 29.762 -0.039 0.000 2.255 281 H HN 0.027 nan 8.280 nan 0.000 0.601 282 N N -0.977 117.721 118.700 -0.003 0.000 3.387 282 N HA 0.050 4.790 4.740 -0.000 0.000 0.294 282 N C 0.137 175.606 175.510 -0.069 0.000 1.519 282 N CA -0.419 52.618 53.050 -0.022 0.000 0.875 282 N CB 0.671 39.150 38.487 -0.014 0.000 1.657 282 N HN 0.265 nan 8.380 nan 0.000 0.527 283 G N 0.562 109.325 108.800 -0.061 0.000 2.444 283 G HA2 0.268 4.228 3.960 -0.000 0.000 0.289 283 G HA3 0.268 4.228 3.960 -0.000 0.000 0.289 283 G C 0.207 175.035 174.900 -0.120 0.000 0.814 283 G CA 0.384 45.436 45.100 -0.080 0.000 1.820 283 G HN 0.570 nan 8.290 nan 0.000 0.453 284 A N 5.443 128.148 122.820 -0.192 0.000 2.805 284 A HA 0.490 4.810 4.320 -0.000 0.000 0.301 284 A C -0.936 176.433 177.584 -0.358 0.000 1.557 284 A CA -1.328 50.531 52.037 -0.297 0.000 1.254 284 A CB 0.388 19.130 19.000 -0.429 0.000 1.114 284 A HN 0.503 nan 8.150 nan 0.000 0.553 285 P HA -0.044 nan 4.420 nan 0.000 0.261 285 P C 0.709 177.934 177.300 -0.124 0.000 1.650 285 P CA 0.056 63.080 63.100 -0.127 0.000 0.846 285 P CB -0.470 31.192 31.700 -0.063 0.000 1.758 286 H N 0.774 119.720 119.070 -0.206 0.000 1.453 286 H HA -0.235 4.321 4.556 -0.000 0.000 0.090 286 H C 0.472 175.612 175.328 -0.312 0.000 1.149 286 H CA 2.392 58.222 56.048 -0.364 0.000 1.901 286 H CB -1.567 27.788 29.762 -0.677 0.000 2.257 286 H HN 0.566 nan 8.280 nan 0.000 0.961 287 H N -0.245 118.902 119.070 0.129 0.000 2.591 287 H HA 0.602 5.158 4.556 -0.000 0.000 0.302 287 H C 0.839 176.185 175.328 0.030 0.000 1.163 287 H CA 0.680 56.765 56.048 0.062 0.000 1.049 287 H CB 0.151 29.943 29.762 0.050 0.000 1.543 287 H HN 0.492 nan 8.280 nan 0.000 0.523 288 A N 0.033 122.899 122.820 0.077 0.000 2.628 288 A HA 0.273 4.593 4.320 -0.000 0.000 0.267 288 A C 1.519 179.111 177.584 0.014 0.000 1.159 288 A CA -0.163 51.896 52.037 0.036 0.000 0.972 288 A CB 0.257 19.262 19.000 0.009 0.000 1.211 288 A HN 0.293 nan 8.150 nan 0.000 0.576 289 I N 0.174 120.759 120.570 0.025 0.000 2.729 289 I HA -0.072 4.098 4.170 -0.000 0.000 0.256 289 I C 2.160 178.290 176.117 0.021 0.000 1.115 289 I CA 0.991 62.296 61.300 0.008 0.000 1.446 289 I CB 0.004 38.003 38.000 -0.003 0.000 1.176 289 I HN 0.521 nan 8.210 nan 0.000 0.446 290 E N 1.050 121.283 120.200 0.056 0.000 2.510 290 E HA -0.247 4.103 4.350 -0.000 0.000 0.202 290 E C 1.464 178.076 176.600 0.019 0.000 1.072 290 E CA 0.721 57.148 56.400 0.043 0.000 0.883 290 E CB -0.270 29.471 29.700 0.068 0.000 0.818 290 E HN 0.543 nan 8.360 nan 0.000 0.548 291 E N 0.263 120.470 120.200 0.012 0.000 2.452 291 E HA 0.107 4.457 4.350 -0.000 0.000 0.197 291 E C 1.175 177.755 176.600 -0.034 0.000 1.022 291 E CA 0.460 56.853 56.400 -0.011 0.000 0.890 291 E CB 0.339 30.035 29.700 -0.006 0.000 0.918 291 E HN 0.332 nan 8.360 nan 0.000 0.496 292 A N 0.119 122.923 122.820 -0.027 0.000 2.508 292 A HA 0.143 4.463 4.320 -0.000 0.000 0.250 292 A C 1.486 179.050 177.584 -0.033 0.000 1.208 292 A CA -0.314 51.699 52.037 -0.040 0.000 0.960 292 A CB 0.335 19.315 19.000 -0.034 0.000 1.099 292 A HN 0.169 nan 8.150 nan 0.000 0.542 293 E N 0.378 120.566 120.200 -0.019 0.000 2.244 293 E HA -0.070 4.280 4.350 -0.000 0.000 0.196 293 E C 1.881 178.475 176.600 -0.011 0.000 0.939 293 E CA 1.035 57.426 56.400 -0.015 0.000 0.884 293 E CB 0.202 29.898 29.700 -0.006 0.000 0.850 293 E HN 0.586 nan 8.360 nan 0.000 0.481 294 S N 0.807 116.503 115.700 -0.007 0.000 2.474 294 S HA -0.134 4.336 4.470 -0.000 0.000 0.235 294 S C 1.995 176.606 174.600 0.019 0.000 0.997 294 S CA 0.604 58.811 58.200 0.012 0.000 0.949 294 S CB -0.167 63.038 63.200 0.009 0.000 0.766 294 S HN 0.249 nan 8.310 nan 0.000 0.517 295 L N 0.811 122.012 121.223 -0.038 0.000 2.023 295 L HA 0.237 4.577 4.340 -0.000 0.000 0.205 295 L C 2.251 179.096 176.870 -0.042 0.000 1.073 295 L CA 1.461 56.238 54.840 -0.105 0.000 0.745 295 L CB -0.898 41.062 42.059 -0.164 0.000 0.900 295 L HN 0.352 nan 8.230 nan 0.000 0.435 296 L N -0.258 120.955 121.223 -0.017 0.000 2.046 296 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 296 L C 2.605 179.514 176.870 0.065 0.000 1.077 296 L CA 2.043 56.899 54.840 0.026 0.000 0.747 296 L CB -0.708 41.355 42.059 0.007 0.000 0.896 296 L HN 0.570 nan 8.230 nan 0.000 0.432 297 Q N -1.285 118.548 119.800 0.055 0.000 2.234 297 Q HA -0.262 4.078 4.340 -0.000 0.000 0.206 297 Q C 1.933 178.014 176.000 0.134 0.000 0.980 297 Q CA 2.036 57.878 55.803 0.065 0.000 0.869 297 Q CB -0.496 28.266 28.738 0.039 0.000 0.912 297 Q HN 0.563 nan 8.270 nan 0.000 0.436 298 F N -0.485 119.470 119.950 0.009 0.000 2.059 298 F HA -0.035 4.492 4.527 -0.000 0.000 0.289 298 F C 2.015 177.894 175.800 0.131 0.000 1.128 298 F CA 1.915 59.940 58.000 0.040 0.000 1.181 298 F CB -0.542 38.438 39.000 -0.034 0.000 1.012 298 F HN 0.195 nan 8.300 nan 0.000 0.473 299 H N -0.894 118.304 119.070 0.214 0.000 2.390 299 H HA -0.156 4.400 4.556 -0.000 0.000 0.298 299 H C 1.959 177.283 175.328 -0.006 0.000 1.106 299 H CA 1.375 57.468 56.048 0.074 0.000 1.297 299 H CB -0.120 29.730 29.762 0.147 0.000 1.375 299 H HN 0.186 nan 8.280 nan 0.000 0.509 300 V N 0.294 120.293 119.914 0.141 0.000 3.573 300 V HA -0.023 4.097 4.120 -0.000 0.000 0.270 300 V C 2.016 178.176 176.094 0.109 0.000 1.221 300 V CA 0.905 63.273 62.300 0.113 0.000 1.163 300 V CB -0.115 31.747 31.823 0.064 0.000 0.847 300 V HN 0.473 nan 8.190 nan 0.000 0.468 301 A N -0.302 122.533 122.820 0.024 0.000 1.901 301 A HA -0.029 4.291 4.320 -0.000 0.000 0.210 301 A C 2.318 179.865 177.584 -0.062 0.000 1.208 301 A CA 1.608 53.640 52.037 -0.009 0.000 0.644 301 A CB -0.675 18.294 19.000 -0.052 0.000 0.863 301 A HN 0.349 nan 8.150 nan 0.000 0.454 302 T N -1.020 113.413 114.554 -0.202 0.000 2.595 302 T HA -0.230 4.120 4.350 -0.000 0.000 0.264 302 T C 1.748 176.445 174.700 -0.005 0.000 1.058 302 T CA 2.056 64.041 62.100 -0.191 0.000 1.166 302 T CB -0.571 68.088 68.868 -0.347 0.000 0.863 302 T HN 0.544 nan 8.240 nan 0.000 0.415 303 Y N 0.995 121.248 120.300 -0.078 0.000 2.264 303 Y HA -0.277 4.273 4.550 -0.000 0.000 0.282 303 Y C 1.941 177.830 175.900 -0.018 0.000 1.204 303 Y CA 1.623 59.699 58.100 -0.039 0.000 1.228 303 Y CB -0.399 38.046 38.460 -0.026 0.000 0.971 303 Y HN 0.299 nan 8.280 nan 0.000 0.538 304 M N -1.740 117.802 119.600 -0.097 0.000 2.691 304 M HA 0.102 4.582 4.480 -0.000 0.000 0.261 304 M C -0.261 176.009 176.300 -0.050 0.000 1.227 304 M CA 0.551 55.760 55.300 -0.152 0.000 1.197 304 M CB 0.526 33.126 32.600 0.000 0.000 1.294 304 M HN -0.048 nan 8.290 nan 0.000 0.508 305 D N -0.086 120.302 120.400 -0.020 0.000 2.863 305 D HA 0.225 4.865 4.640 -0.000 0.000 0.245 305 D C -0.894 175.381 176.300 -0.041 0.000 1.211 305 D CA -0.022 53.968 54.000 -0.016 0.000 0.888 305 D CB 1.390 42.203 40.800 0.021 0.000 1.483 305 D HN -0.104 nan 8.370 nan 0.000 0.533 306 N N 2.052 120.731 118.700 -0.035 0.000 2.171 306 N HA 0.045 4.785 4.740 -0.000 0.000 0.212 306 N C -0.952 174.554 175.510 -0.007 0.000 1.184 306 N CA 0.067 53.099 53.050 -0.030 0.000 0.888 306 N CB 0.612 39.090 38.487 -0.015 0.000 1.038 306 N HN 0.312 nan 8.380 nan 0.000 0.517 307 D N 0.632 121.026 120.400 -0.009 0.000 2.970 307 D HA 0.291 4.931 4.640 -0.000 0.000 0.282 307 D C 0.301 176.603 176.300 0.004 0.000 1.291 307 D CA -0.128 53.872 54.000 -0.001 0.000 0.967 307 D CB 0.662 41.454 40.800 -0.013 0.000 1.017 307 D HN 0.252 nan 8.370 nan 0.000 0.512 308 I N -0.275 120.304 120.570 0.015 0.000 3.223 308 I HA 0.425 4.595 4.170 -0.000 0.000 0.317 308 I C 1.656 177.791 176.117 0.031 0.000 1.050 308 I CA -0.990 60.323 61.300 0.022 0.000 1.069 308 I CB 0.903 38.921 38.000 0.031 0.000 1.406 308 I HN 0.092 nan 8.210 nan 0.000 0.596 309 A N 1.688 124.528 122.820 0.033 0.000 1.874 309 A HA 0.087 4.406 4.320 -0.000 0.000 0.214 309 A C 1.692 179.304 177.584 0.046 0.000 1.189 309 A CA 1.098 53.156 52.037 0.034 0.000 0.615 309 A CB -1.120 17.898 19.000 0.029 0.000 0.830 309 A HN 0.887 nan 8.150 nan 0.000 0.443 310 G N -0.012 108.824 108.800 0.060 0.000 2.924 310 G HA2 0.310 4.270 3.960 -0.000 0.000 0.273 310 G HA3 0.310 4.270 3.960 -0.000 0.000 0.273 310 G C 0.559 175.513 174.900 0.091 0.000 0.734 310 G CA 0.232 45.377 45.100 0.074 0.000 2.065 310 G HN 0.598 nan 8.290 nan 0.000 0.580 311 Q N 0.606 120.450 119.800 0.073 0.000 2.440 311 Q HA -0.256 4.083 4.340 -0.000 0.000 0.228 311 Q C -0.998 175.066 176.000 0.107 0.000 1.100 311 Q CA 1.956 57.804 55.803 0.075 0.000 0.991 311 Q CB -1.856 26.916 28.738 0.057 0.000 1.027 311 Q HN 0.453 nan 8.270 nan 0.000 0.528 312 P HA -0.201 nan 4.420 nan 0.000 0.216 312 P C -0.178 177.254 177.300 0.221 0.000 0.986 312 P CA 1.012 64.208 63.100 0.159 0.000 0.901 312 P CB -0.035 31.771 31.700 0.177 0.000 0.876 313 Q N 2.819 122.715 119.800 0.161 0.000 2.436 313 Q HA 0.008 4.348 4.340 -0.000 0.000 0.209 313 Q C 0.962 177.080 176.000 0.198 0.000 0.965 313 Q CA 0.934 56.826 55.803 0.147 0.000 0.910 313 Q CB -0.055 28.740 28.738 0.094 0.000 0.980 313 Q HN 0.631 nan 8.270 nan 0.000 0.491 314 A N 0.933 123.929 122.820 0.294 0.000 2.237 314 A HA -0.184 4.136 4.320 -0.000 0.000 0.281 314 A C -0.255 177.450 177.584 0.202 0.000 1.414 314 A CA 0.240 52.491 52.037 0.358 0.000 0.733 314 A CB -2.107 17.180 19.000 0.478 0.000 1.168 314 A HN 0.342 nan 8.150 nan 0.000 0.347 315 L N 1.609 122.922 121.223 0.150 0.000 2.305 315 L HA 0.338 4.678 4.340 -0.000 0.000 0.281 315 L C 1.165 178.099 176.870 0.108 0.000 1.085 315 L CA -0.394 54.511 54.840 0.108 0.000 0.813 315 L CB 1.104 43.212 42.059 0.082 0.000 1.157 315 L HN 0.809 nan 8.230 nan 0.000 0.436 316 Q N 2.834 122.696 119.800 0.104 0.000 2.474 316 Q HA -0.005 4.335 4.340 -0.000 0.000 0.256 316 Q C -0.066 175.995 176.000 0.102 0.000 1.048 316 Q CA -0.204 55.673 55.803 0.122 0.000 0.922 316 Q CB 0.705 29.525 28.738 0.136 0.000 1.288 316 Q HN 0.404 nan 8.270 nan 0.000 0.484 317 K N 1.441 121.906 120.400 0.107 0.000 2.163 317 K HA -0.047 4.273 4.320 -0.000 0.000 0.267 317 K C -0.253 176.393 176.600 0.076 0.000 1.098 317 K CA 0.963 57.298 56.287 0.080 0.000 1.062 317 K CB -0.363 32.178 32.500 0.069 0.000 1.033 317 K HN 0.727 nan 8.250 nan 0.000 0.396 318 S N 0.666 116.402 115.700 0.060 0.000 4.058 318 S HA -0.001 4.469 4.470 -0.000 0.000 0.080 318 S C 0.970 175.594 174.600 0.041 0.000 0.810 318 S CA -0.046 58.183 58.200 0.048 0.000 1.288 318 S CB -0.814 62.416 63.200 0.050 0.000 0.718 318 S HN 0.794 nan 8.310 nan 0.000 0.739 319 G N 1.995 110.822 108.800 0.046 0.000 2.213 319 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.226 319 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.226 319 G C -0.071 174.853 174.900 0.041 0.000 0.992 319 G CA 0.173 45.297 45.100 0.041 0.000 0.632 319 G HN 0.815 nan 8.290 nan 0.000 0.511 320 R N 1.583 122.108 120.500 0.041 0.000 2.351 320 R HA 0.329 4.669 4.340 -0.000 0.000 0.318 320 R C -0.891 175.435 176.300 0.044 0.000 1.055 320 R CA -0.895 55.226 56.100 0.035 0.000 0.968 320 R CB 0.599 30.917 30.300 0.030 0.000 0.974 320 R HN 0.072 nan 8.270 nan 0.000 0.439 321 P HA -0.211 nan 4.420 nan 0.000 0.218 321 P C -0.536 176.792 177.300 0.046 0.000 1.154 321 P CA 1.097 64.222 63.100 0.042 0.000 0.872 321 P CB 0.134 31.851 31.700 0.027 0.000 0.790 322 V N -2.408 117.525 119.914 0.032 0.000 3.207 322 V HA -0.142 3.978 4.120 -0.000 0.000 0.455 322 V C 0.062 176.162 176.094 0.010 0.000 0.682 322 V CA -0.170 62.148 62.300 0.029 0.000 1.985 322 V CB -1.587 30.270 31.823 0.057 0.000 2.454 322 V HN 0.207 nan 8.190 nan 0.000 0.494 323 K N 3.857 124.252 120.400 -0.008 0.000 2.395 323 K HA 0.327 4.647 4.320 -0.000 0.000 0.283 323 K C 0.888 177.468 176.600 -0.033 0.000 1.068 323 K CA 0.620 56.892 56.287 -0.025 0.000 1.039 323 K CB 0.429 32.908 32.500 -0.035 0.000 0.924 323 K HN 0.889 nan 8.250 nan 0.000 0.468 324 S N 2.661 118.335 115.700 -0.043 0.000 2.600 324 S HA 0.149 4.619 4.470 -0.000 0.000 0.265 324 S C 1.537 176.070 174.600 -0.110 0.000 1.325 324 S CA -0.789 57.370 58.200 -0.070 0.000 1.002 324 S CB 0.679 63.842 63.200 -0.061 0.000 0.921 324 S HN 0.477 nan 8.310 nan 0.000 0.554 325 I N 1.309 121.771 120.570 -0.181 0.000 2.163 325 I HA -0.265 3.905 4.170 -0.000 0.000 0.243 325 I C 2.965 178.995 176.117 -0.145 0.000 1.085 325 I CA 2.084 63.270 61.300 -0.190 0.000 1.347 325 I CB -0.533 37.300 38.000 -0.277 0.000 1.044 325 I HN 0.838 nan 8.210 nan 0.000 0.408 326 R N 2.074 122.494 120.500 -0.134 0.000 2.119 326 R HA -0.232 4.108 4.340 -0.000 0.000 0.246 326 R C 2.273 178.496 176.300 -0.128 0.000 1.146 326 R CA 2.010 58.020 56.100 -0.150 0.000 0.962 326 R CB -0.741 29.486 30.300 -0.121 0.000 0.863 326 R HN 0.297 nan 8.270 nan 0.000 0.442 327 A N 1.350 124.112 122.820 -0.097 0.000 1.940 327 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 327 A C 2.254 179.792 177.584 -0.078 0.000 1.176 327 A CA 1.685 53.675 52.037 -0.078 0.000 0.631 327 A CB -0.556 18.409 19.000 -0.059 0.000 0.814 327 A HN 0.481 nan 8.150 nan 0.000 0.446 328 R N -0.659 119.791 120.500 -0.083 0.000 2.105 328 R HA -0.076 4.264 4.340 -0.000 0.000 0.239 328 R C 1.916 178.170 176.300 -0.077 0.000 1.135 328 R CA 1.535 57.591 56.100 -0.075 0.000 0.967 328 R CB -0.452 29.801 30.300 -0.078 0.000 0.861 328 R HN 0.562 nan 8.270 nan 0.000 0.442 329 L N 0.429 121.592 121.223 -0.099 0.000 2.202 329 L HA 0.050 4.390 4.340 -0.000 0.000 0.205 329 L C 1.090 177.902 176.870 -0.097 0.000 1.083 329 L CA 0.114 54.892 54.840 -0.104 0.000 0.790 329 L CB -0.359 41.613 42.059 -0.145 0.000 0.942 329 L HN 0.029 nan 8.230 nan 0.000 0.452 330 K N 1.895 122.231 120.400 -0.107 0.000 2.548 330 K HA -0.052 4.268 4.320 -0.000 0.000 0.277 330 K C 0.663 177.223 176.600 -0.067 0.000 1.001 330 K CA 0.335 56.565 56.287 -0.096 0.000 1.102 330 K CB 0.272 32.718 32.500 -0.089 0.000 0.848 330 K HN 0.181 nan 8.250 nan 0.000 0.487 331 G N 3.072 111.837 108.800 -0.059 0.000 2.852 331 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.228 331 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.228 331 G C -0.553 174.338 174.900 -0.016 0.000 1.227 331 G CA 0.302 45.386 45.100 -0.026 0.000 0.854 331 G HN 0.908 nan 8.290 nan 0.000 0.573 332 K N 0.365 120.768 120.400 0.004 0.000 6.744 332 K HA -0.223 4.096 4.320 -0.000 0.000 0.720 332 K C 0.809 177.405 176.600 -0.008 0.000 2.325 332 K CA 1.542 57.832 56.287 0.005 0.000 1.691 332 K CB -0.732 31.771 32.500 0.006 0.000 1.863 332 K HN 1.002 nan 8.250 nan 0.000 0.302 333 E N -1.173 119.024 120.200 -0.005 0.000 3.916 333 E HA -0.197 4.153 4.350 -0.000 0.000 0.331 333 E C 0.374 176.963 176.600 -0.019 0.000 0.729 333 E CA 1.781 58.174 56.400 -0.011 0.000 1.222 333 E CB -1.675 28.017 29.700 -0.013 0.000 1.633 333 E HN 0.881 nan 8.360 nan 0.000 0.437 334 G N 0.086 108.873 108.800 -0.023 0.000 2.544 334 G HA2 0.440 4.400 3.960 -0.000 0.000 0.313 334 G HA3 0.440 4.400 3.960 -0.000 0.000 0.313 334 G C 0.611 175.492 174.900 -0.032 0.000 1.316 334 G CA 0.068 45.148 45.100 -0.034 0.000 0.944 334 G HN -0.026 nan 8.290 nan 0.000 0.489 335 R N 1.368 121.847 120.500 -0.034 0.000 2.397 335 R HA -0.329 4.011 4.340 -0.000 0.000 0.194 335 R C 2.292 178.578 176.300 -0.024 0.000 0.941 335 R CA 2.308 58.389 56.100 -0.031 0.000 0.434 335 R CB -0.907 29.369 30.300 -0.040 0.000 0.737 335 R HN 0.563 nan 8.270 nan 0.000 0.272 336 I N -0.208 120.345 120.570 -0.029 0.000 2.032 336 I HA -0.291 3.879 4.170 -0.000 0.000 0.231 336 I C 2.458 178.572 176.117 -0.003 0.000 1.035 336 I CA 1.985 63.275 61.300 -0.017 0.000 1.312 336 I CB -1.185 36.800 38.000 -0.024 0.000 1.041 336 I HN 0.390 nan 8.210 nan 0.000 0.390 337 R N 0.416 120.918 120.500 0.002 0.000 2.148 337 R HA -0.097 4.243 4.340 -0.000 0.000 0.227 337 R C 2.138 178.442 176.300 0.007 0.000 1.103 337 R CA 1.407 57.516 56.100 0.015 0.000 0.983 337 R CB -0.265 30.054 30.300 0.031 0.000 0.874 337 R HN 0.521 nan 8.270 nan 0.000 0.451 338 G N -0.569 108.230 108.800 -0.002 0.000 2.545 338 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.212 338 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.212 338 G C 1.066 175.963 174.900 -0.005 0.000 1.144 338 G CA 0.040 45.138 45.100 -0.003 0.000 0.813 338 G HN 0.284 nan 8.290 nan 0.000 0.531 339 N N -0.503 118.192 118.700 -0.009 0.000 2.273 339 N HA 0.223 4.963 4.740 -0.000 0.000 0.192 339 N C 1.676 177.180 175.510 -0.010 0.000 1.132 339 N CA 0.033 53.077 53.050 -0.010 0.000 0.887 339 N CB 0.851 39.329 38.487 -0.014 0.000 1.048 339 N HN 0.227 nan 8.380 nan 0.000 0.490 340 L N 0.070 121.288 121.223 -0.009 0.000 2.433 340 L HA 0.251 4.591 4.340 -0.000 0.000 0.200 340 L C 1.769 178.634 176.870 -0.009 0.000 1.059 340 L CA 0.274 55.108 54.840 -0.009 0.000 0.835 340 L CB -0.019 42.036 42.059 -0.006 0.000 1.076 340 L HN -0.026 nan 8.230 nan 0.000 0.481 341 M N -0.062 119.535 119.600 -0.004 0.000 2.562 341 M HA 0.185 4.665 4.480 -0.000 0.000 0.257 341 M C 0.603 176.897 176.300 -0.010 0.000 1.099 341 M CA 0.399 55.696 55.300 -0.005 0.000 1.099 341 M CB -0.510 32.092 32.600 0.004 0.000 1.427 341 M HN 0.191 nan 8.290 nan 0.000 0.489 342 G N 0.694 109.490 108.800 -0.008 0.000 2.635 342 G HA2 0.480 4.440 3.960 -0.000 0.000 0.295 342 G HA3 0.480 4.440 3.960 -0.000 0.000 0.295 342 G C -1.025 173.872 174.900 -0.005 0.000 1.359 342 G CA -0.737 44.358 45.100 -0.008 0.000 1.232 342 G HN 0.152 nan 8.290 nan 0.000 0.597 343 K N 0.990 121.385 120.400 -0.008 0.000 2.346 343 K HA 0.667 4.987 4.320 -0.000 0.000 0.238 343 K C -0.067 176.538 176.600 0.009 0.000 1.039 343 K CA -1.078 55.208 56.287 -0.001 0.000 0.861 343 K CB 2.303 34.799 32.500 -0.006 0.000 1.278 343 K HN 0.384 nan 8.250 nan 0.000 0.460 344 R N 0.793 121.305 120.500 0.019 0.000 2.457 344 R HA 0.402 4.742 4.340 -0.000 0.000 0.284 344 R C -0.216 176.110 176.300 0.044 0.000 1.024 344 R CA -0.721 55.402 56.100 0.039 0.000 1.025 344 R CB 1.220 31.543 30.300 0.039 0.000 1.063 344 R HN 0.484 nan 8.270 nan 0.000 0.493 345 V N -1.405 118.551 119.914 0.070 0.000 3.126 345 V HA 0.524 4.644 4.120 -0.000 0.000 0.314 345 V C -0.702 175.483 176.094 0.151 0.000 1.138 345 V CA -0.983 61.367 62.300 0.082 0.000 1.034 345 V CB 2.345 34.189 31.823 0.034 0.000 1.075 345 V HN 0.566 nan 8.190 nan 0.000 0.442 346 D N 0.226 120.756 120.400 0.216 0.000 2.478 346 D HA 0.526 5.166 4.640 -0.000 0.000 0.263 346 D C -0.297 176.305 176.300 0.504 0.000 1.153 346 D CA 0.048 54.245 54.000 0.328 0.000 1.038 346 D CB 0.571 41.653 40.800 0.470 0.000 1.120 346 D HN 0.704 nan 8.370 nan 0.000 0.564 347 F N -0.506 119.510 119.950 0.110 0.000 2.969 347 F HA -0.228 4.299 4.527 -0.000 0.000 0.273 347 F C 0.361 176.275 175.800 0.190 0.000 0.986 347 F CA 0.153 58.234 58.000 0.135 0.000 0.926 347 F CB -2.160 36.916 39.000 0.126 0.000 0.887 347 F HN 0.159 nan 8.300 nan 0.000 0.816 348 S N -1.092 114.764 115.700 0.261 0.000 2.627 348 S HA 1.021 5.491 4.470 -0.000 0.000 0.283 348 S C -0.503 174.180 174.600 0.139 0.000 1.127 348 S CA -0.385 57.963 58.200 0.247 0.000 0.863 348 S CB 2.775 66.185 63.200 0.350 0.000 1.121 348 S HN 1.491 nan 8.310 nan 0.000 0.479 349 A N 0.720 123.610 122.820 0.116 0.000 2.605 349 A HA 0.880 5.200 4.320 -0.000 0.000 0.294 349 A C -1.044 176.689 177.584 0.248 0.000 1.062 349 A CA -0.831 51.312 52.037 0.177 0.000 0.682 349 A CB 1.637 20.793 19.000 0.260 0.000 1.278 349 A HN 1.086 nan 8.150 nan 0.000 0.410 350 R N 0.666 121.280 120.500 0.191 0.000 2.535 350 R HA 0.687 5.027 4.340 -0.000 0.000 0.274 350 R C -0.632 175.638 176.300 -0.051 0.000 1.090 350 R CA 0.476 56.688 56.100 0.185 0.000 0.930 350 R CB 1.847 32.199 30.300 0.086 0.000 1.223 350 R HN 1.374 nan 8.270 nan 0.000 0.441 351 T N -0.974 113.452 114.554 -0.214 0.000 2.584 351 T HA 0.452 4.802 4.350 -0.000 0.000 0.273 351 T C -0.924 173.666 174.700 -0.183 0.000 0.978 351 T CA -0.465 61.429 62.100 -0.343 0.000 1.159 351 T CB 0.841 69.307 68.868 -0.669 0.000 1.556 351 T HN 0.179 nan 8.240 nan 0.000 0.472 352 V N 2.633 122.439 119.914 -0.180 0.000 2.427 352 V HA 0.573 4.693 4.120 -0.000 0.000 0.286 352 V C 0.336 176.448 176.094 0.031 0.000 1.034 352 V CA -1.010 61.268 62.300 -0.037 0.000 0.893 352 V CB 0.844 32.650 31.823 -0.028 0.000 0.982 352 V HN 0.865 nan 8.190 nan 0.000 0.452 353 I N 2.272 122.933 120.570 0.153 0.000 2.440 353 I HA 0.855 5.025 4.170 -0.000 0.000 0.294 353 I C 0.003 176.181 176.117 0.101 0.000 0.995 353 I CA 0.055 61.492 61.300 0.228 0.000 1.306 353 I CB 1.732 39.945 38.000 0.354 0.000 1.407 353 I HN 0.629 nan 8.210 nan 0.000 0.501 354 S N 2.839 118.374 115.700 -0.276 0.000 2.540 354 S HA 0.707 5.177 4.470 -0.000 0.000 0.275 354 S C -0.055 173.852 174.600 -1.155 0.000 1.123 354 S CA -0.786 56.823 58.200 -0.985 0.000 0.907 354 S CB 1.352 64.273 63.200 -0.465 0.000 1.081 354 S HN 1.090 nan 8.310 nan 0.000 0.476 355 G N 0.265 107.961 108.800 -1.841 0.000 2.606 355 G HA2 0.485 4.445 3.960 -0.000 0.000 0.252 355 G HA3 0.485 4.445 3.960 -0.000 0.000 0.252 355 G C -0.965 173.780 174.900 -0.259 0.000 1.206 355 G CA -0.061 44.698 45.100 -0.567 0.000 0.861 355 G HN 0.716 nan 8.290 nan 0.000 0.561 356 D N 0.444 120.796 120.400 -0.079 0.000 2.354 356 D HA 0.170 4.810 4.640 -0.000 0.000 0.230 356 D C -2.309 173.999 176.300 0.013 0.000 1.361 356 D CA -1.157 52.813 54.000 -0.050 0.000 0.992 356 D CB 2.109 42.864 40.800 -0.075 0.000 1.409 356 D HN 0.138 nan 8.370 nan 0.000 0.573 357 P HA 0.161 nan 4.420 nan 0.000 0.271 357 P C -0.195 177.150 177.300 0.075 0.000 1.535 357 P CA -0.030 63.123 63.100 0.089 0.000 0.820 357 P CB -0.000 31.776 31.700 0.126 0.000 1.606 358 N N 0.126 118.841 118.700 0.025 0.000 2.466 358 N HA 0.249 4.989 4.740 -0.000 0.000 0.272 358 N C -0.543 174.943 175.510 -0.040 0.000 1.455 358 N CA -0.017 53.023 53.050 -0.017 0.000 0.875 358 N CB 0.930 39.397 38.487 -0.035 0.000 1.372 358 N HN 0.228 nan 8.380 nan 0.000 0.492 359 L N 0.904 122.115 121.223 -0.020 0.000 2.438 359 L HA 0.398 4.738 4.340 -0.000 0.000 0.270 359 L C 0.144 177.012 176.870 -0.004 0.000 0.972 359 L CA -0.917 53.905 54.840 -0.030 0.000 0.831 359 L CB 2.148 44.178 42.059 -0.048 0.000 1.273 359 L HN -0.141 nan 8.230 nan 0.000 0.405 360 E N 1.681 121.877 120.200 -0.006 0.000 2.458 360 E HA -0.086 4.264 4.350 -0.000 0.000 0.264 360 E C 0.871 177.487 176.600 0.027 0.000 1.097 360 E CA -0.106 56.306 56.400 0.020 0.000 0.973 360 E CB 1.120 30.827 29.700 0.012 0.000 0.963 360 E HN 0.451 nan 8.360 nan 0.000 0.451 361 L N 2.220 123.462 121.223 0.032 0.000 2.010 361 L HA -0.285 4.055 4.340 -0.000 0.000 0.219 361 L C 1.687 178.586 176.870 0.048 0.000 1.077 361 L CA 2.720 57.552 54.840 -0.013 0.000 0.773 361 L CB -0.679 41.300 42.059 -0.133 0.000 0.892 361 L HN 0.655 nan 8.230 nan 0.000 0.436 362 D N -1.630 118.797 120.400 0.046 0.000 2.378 362 D HA -0.101 4.539 4.640 -0.000 0.000 0.227 362 D C 0.843 177.244 176.300 0.169 0.000 1.012 362 D CA 0.271 54.330 54.000 0.099 0.000 0.905 362 D CB -0.318 40.482 40.800 0.000 0.000 0.895 362 D HN 0.530 nan 8.370 nan 0.000 0.532 363 Q N -0.574 119.268 119.800 0.071 0.000 2.237 363 Q HA 0.524 4.864 4.340 -0.000 0.000 0.219 363 Q C -1.003 174.899 176.000 -0.164 0.000 0.999 363 Q CA -0.788 55.002 55.803 -0.021 0.000 0.959 363 Q CB 2.352 31.059 28.738 -0.050 0.000 1.173 363 Q HN 0.051 nan 8.270 nan 0.000 0.527 364 V N -0.158 119.589 119.914 -0.279 0.000 2.789 364 V HA 0.512 4.632 4.120 -0.000 0.000 0.300 364 V C -1.044 174.840 176.094 -0.350 0.000 1.184 364 V CA -0.434 61.547 62.300 -0.532 0.000 0.930 364 V CB 1.826 33.025 31.823 -1.041 0.000 1.041 364 V HN 0.805 nan 8.190 nan 0.000 0.430 365 G N 5.318 113.964 108.800 -0.256 0.000 2.349 365 G HA2 0.532 4.492 3.960 -0.000 0.000 0.281 365 G HA3 0.532 4.492 3.960 -0.000 0.000 0.281 365 G C -0.708 174.186 174.900 -0.009 0.000 1.182 365 G CA -0.200 44.833 45.100 -0.111 0.000 0.899 365 G HN 0.952 nan 8.290 nan 0.000 0.455 366 V N 5.947 125.860 119.914 -0.002 0.000 2.417 366 V HA 0.363 4.483 4.120 -0.000 0.000 0.291 366 V C -1.860 174.257 176.094 0.038 0.000 1.024 366 V CA -1.810 60.553 62.300 0.104 0.000 0.861 366 V CB 2.100 33.958 31.823 0.059 0.000 0.985 366 V HN 0.659 nan 8.190 nan 0.000 0.436 367 P HA 0.081 nan 4.420 nan 0.000 0.271 367 P C 0.547 177.795 177.300 -0.088 0.000 1.216 367 P CA -0.213 62.862 63.100 -0.042 0.000 0.771 367 P CB 1.086 32.746 31.700 -0.067 0.000 0.864 368 K N 2.736 123.042 120.400 -0.158 0.000 2.173 368 K HA -0.240 4.080 4.320 -0.000 0.000 0.207 368 K C 1.995 178.507 176.600 -0.148 0.000 1.046 368 K CA 2.193 58.337 56.287 -0.239 0.000 0.929 368 K CB -0.463 31.886 32.500 -0.251 0.000 0.720 368 K HN 0.376 nan 8.250 nan 0.000 0.453 369 S N 0.536 116.171 115.700 -0.108 0.000 2.359 369 S HA -0.177 4.293 4.470 -0.000 0.000 0.223 369 S C 1.921 176.497 174.600 -0.041 0.000 1.039 369 S CA 1.710 59.864 58.200 -0.076 0.000 1.042 369 S CB -0.323 62.830 63.200 -0.078 0.000 0.915 369 S HN 0.437 nan 8.310 nan 0.000 0.439 370 I N 1.589 122.145 120.570 -0.023 0.000 2.353 370 I HA -0.052 4.118 4.170 -0.000 0.000 0.248 370 I C 2.886 179.041 176.117 0.063 0.000 1.119 370 I CA 0.899 62.217 61.300 0.030 0.000 1.417 370 I CB -0.577 37.469 38.000 0.078 0.000 1.078 370 I HN 0.430 nan 8.210 nan 0.000 0.421 371 A N 0.817 123.662 122.820 0.042 0.000 1.978 371 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 371 A C 2.197 179.893 177.584 0.187 0.000 1.170 371 A CA 1.538 53.638 52.037 0.106 0.000 0.636 371 A CB -0.387 18.630 19.000 0.029 0.000 0.810 371 A HN 0.344 nan 8.150 nan 0.000 0.448 372 K N -1.152 119.295 120.400 0.078 0.000 2.487 372 K HA 0.052 4.371 4.320 -0.000 0.000 0.192 372 K C 1.249 177.987 176.600 0.230 0.000 1.027 372 K CA 0.984 57.317 56.287 0.077 0.000 1.054 372 K CB 0.095 32.523 32.500 -0.120 0.000 0.824 372 K HN 0.434 nan 8.250 nan 0.000 0.510 373 T N 0.852 115.482 114.554 0.126 0.000 3.045 373 T HA 0.171 4.521 4.350 -0.000 0.000 0.239 373 T C 0.679 175.381 174.700 0.004 0.000 1.008 373 T CA 0.095 62.221 62.100 0.045 0.000 1.143 373 T CB 0.258 69.131 68.868 0.009 0.000 0.894 373 T HN -0.016 nan 8.240 nan 0.000 0.451 374 L N 1.913 123.159 121.223 0.039 0.000 2.417 374 L HA 0.476 4.816 4.340 -0.000 0.000 0.268 374 L C 0.512 177.426 176.870 0.073 0.000 1.158 374 L CA -0.244 54.598 54.840 0.003 0.000 0.819 374 L CB 0.888 42.999 42.059 0.087 0.000 1.112 374 L HN 0.164 nan 8.230 nan 0.000 0.458 375 T N 0.718 115.316 114.554 0.073 0.000 2.864 375 T HA 0.550 4.900 4.350 -0.000 0.000 0.289 375 T C -1.708 173.260 174.700 0.447 0.000 1.082 375 T CA -0.438 61.781 62.100 0.198 0.000 1.009 375 T CB 1.589 70.519 68.868 0.104 0.000 1.234 375 T HN 0.428 nan 8.240 nan 0.000 0.526 376 Y N 2.834 123.253 120.300 0.199 0.000 2.362 376 Y HA 0.530 5.080 4.550 -0.000 0.000 0.326 376 Y C -2.744 173.220 175.900 0.106 0.000 1.083 376 Y CA -2.365 55.834 58.100 0.165 0.000 1.073 376 Y CB 2.145 40.674 38.460 0.116 0.000 1.211 376 Y HN 0.404 nan 8.280 nan 0.000 0.433 377 P HA 0.106 nan 4.420 nan 0.000 0.275 377 P C -0.825 176.117 177.300 -0.597 0.000 1.276 377 P CA 0.288 63.126 63.100 -0.436 0.000 0.782 377 P CB 1.121 32.625 31.700 -0.326 0.000 0.851 378 E N 2.681 122.742 120.200 -0.233 0.000 2.214 378 E HA 0.359 4.709 4.350 -0.000 0.000 0.274 378 E C -0.851 175.724 176.600 -0.041 0.000 0.977 378 E CA -1.018 55.339 56.400 -0.071 0.000 0.827 378 E CB 1.336 31.094 29.700 0.098 0.000 1.130 378 E HN 0.127 nan 8.360 nan 0.000 0.394 379 V N 4.516 124.421 119.914 -0.014 0.000 2.333 379 V HA 0.113 4.232 4.120 -0.000 0.000 0.274 379 V C -0.129 175.961 176.094 -0.007 0.000 1.028 379 V CA -0.896 61.403 62.300 -0.003 0.000 0.851 379 V CB 1.224 33.045 31.823 -0.004 0.000 1.000 379 V HN 0.556 nan 8.190 nan 0.000 0.456 380 V N 4.808 124.719 119.914 -0.005 0.000 2.628 380 V HA -0.038 4.082 4.120 -0.000 0.000 0.282 380 V C 0.854 176.863 176.094 -0.142 0.000 0.968 380 V CA 1.113 63.361 62.300 -0.087 0.000 1.171 380 V CB -0.349 31.408 31.823 -0.111 0.000 0.899 380 V HN 1.003 nan 8.190 nan 0.000 0.462 381 T N 7.100 121.560 114.554 -0.158 0.000 2.912 381 T HA 0.487 4.837 4.350 -0.000 0.000 0.288 381 T C -1.458 173.134 174.700 -0.181 0.000 1.030 381 T CA -2.013 59.970 62.100 -0.196 0.000 1.020 381 T CB 2.072 70.708 68.868 -0.386 0.000 1.056 381 T HN 0.440 nan 8.240 nan 0.000 0.480 382 P HA -0.072 nan 4.420 nan 0.000 0.229 382 P C 0.742 178.175 177.300 0.222 0.000 1.150 382 P CA 1.133 64.373 63.100 0.233 0.000 0.765 382 P CB -0.172 31.762 31.700 0.390 0.000 0.783 383 Y N 0.852 121.198 120.300 0.076 0.000 2.516 383 Y HA -0.025 4.525 4.550 -0.000 0.000 0.291 383 Y C 1.332 177.246 175.900 0.023 0.000 1.131 383 Y CA 0.304 58.431 58.100 0.045 0.000 1.281 383 Y CB -0.390 38.096 38.460 0.043 0.000 1.013 383 Y HN 0.214 nan 8.280 nan 0.000 0.554 384 N N -2.511 116.264 118.700 0.126 0.000 2.110 384 N HA 0.002 4.742 4.740 -0.000 0.000 0.230 384 N C 0.687 176.187 175.510 -0.018 0.000 1.353 384 N CA -0.089 52.996 53.050 0.059 0.000 0.807 384 N CB -0.855 37.674 38.487 0.069 0.000 1.244 384 N HN 0.022 nan 8.380 nan 0.000 0.504 385 I N 1.516 122.038 120.570 -0.080 0.000 2.399 385 I HA -0.241 3.929 4.170 -0.000 0.000 0.254 385 I C 0.697 176.757 176.117 -0.095 0.000 1.146 385 I CA 1.490 62.685 61.300 -0.174 0.000 1.412 385 I CB -0.370 37.434 38.000 -0.328 0.000 1.076 385 I HN 0.273 nan 8.210 nan 0.000 0.432 386 D N -0.218 120.158 120.400 -0.040 0.000 2.113 386 D HA -0.183 4.457 4.640 -0.000 0.000 0.206 386 D C 2.078 178.371 176.300 -0.011 0.000 0.979 386 D CA 0.742 54.730 54.000 -0.020 0.000 0.862 386 D CB -0.432 40.369 40.800 0.002 0.000 1.013 386 D HN 0.231 nan 8.370 nan 0.000 0.455 387 R N 0.635 121.137 120.500 0.004 0.000 2.174 387 R HA -0.175 4.165 4.340 -0.000 0.000 0.253 387 R C 2.417 178.721 176.300 0.006 0.000 1.165 387 R CA 1.026 57.132 56.100 0.010 0.000 0.984 387 R CB -0.313 30.000 30.300 0.023 0.000 0.873 387 R HN 0.144 nan 8.270 nan 0.000 0.456 388 L N -0.930 120.292 121.223 -0.002 0.000 2.095 388 L HA -0.076 4.264 4.340 -0.000 0.000 0.204 388 L C 2.220 179.088 176.870 -0.003 0.000 1.080 388 L CA 1.468 56.307 54.840 -0.001 0.000 0.759 388 L CB -0.157 41.895 42.059 -0.011 0.000 0.914 388 L HN 0.174 nan 8.230 nan 0.000 0.439 389 T N -1.369 113.174 114.554 -0.018 0.000 2.929 389 T HA -0.216 4.134 4.350 -0.000 0.000 0.271 389 T C 1.683 176.383 174.700 -0.000 0.000 1.085 389 T CA 0.953 63.046 62.100 -0.011 0.000 1.125 389 T CB -0.029 68.823 68.868 -0.028 0.000 0.874 389 T HN 0.177 nan 8.240 nan 0.000 0.494 390 Q N 1.059 120.859 119.800 -0.001 0.000 2.020 390 Q HA 0.114 4.454 4.340 -0.000 0.000 0.198 390 Q C 2.095 178.099 176.000 0.007 0.000 0.974 390 Q CA 1.341 57.146 55.803 0.003 0.000 0.829 390 Q CB -0.653 28.085 28.738 0.001 0.000 0.894 390 Q HN 0.477 nan 8.270 nan 0.000 0.433 391 L N -0.597 120.631 121.223 0.008 0.000 2.042 391 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 391 L C 2.317 179.196 176.870 0.016 0.000 1.076 391 L CA 1.012 55.860 54.840 0.013 0.000 0.749 391 L CB -0.627 41.440 42.059 0.014 0.000 0.893 391 L HN 0.100 nan 8.230 nan 0.000 0.432 392 V N -0.405 119.518 119.914 0.015 0.000 2.295 392 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 392 V C 2.657 178.764 176.094 0.023 0.000 1.049 392 V CA 1.752 64.064 62.300 0.020 0.000 1.024 392 V CB -0.561 31.282 31.823 0.034 0.000 0.648 392 V HN 0.394 nan 8.190 nan 0.000 0.447 393 R N -0.050 120.463 120.500 0.021 0.000 2.092 393 R HA -0.088 4.252 4.340 -0.000 0.000 0.231 393 R C 2.134 178.446 176.300 0.021 0.000 1.119 393 R CA 1.112 57.225 56.100 0.021 0.000 0.970 393 R CB -0.439 29.870 30.300 0.016 0.000 0.864 393 R HN 0.514 nan 8.270 nan 0.000 0.440 394 N N 0.626 119.338 118.700 0.020 0.000 2.503 394 N HA -0.112 4.628 4.740 -0.000 0.000 0.189 394 N C 0.797 176.327 175.510 0.034 0.000 1.048 394 N CA 1.284 54.348 53.050 0.022 0.000 0.905 394 N CB -0.071 38.428 38.487 0.018 0.000 0.951 394 N HN 0.355 nan 8.380 nan 0.000 0.446 395 G N 0.598 109.420 108.800 0.036 0.000 2.877 395 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.279 395 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.279 395 G C -2.251 172.697 174.900 0.080 0.000 1.431 395 G CA -0.191 44.934 45.100 0.041 0.000 0.883 395 G HN 0.145 nan 8.290 nan 0.000 0.547 396 P HA 0.187 nan 4.420 nan 0.000 0.259 396 P C 0.480 177.863 177.300 0.138 0.000 1.530 396 P CA 0.125 63.316 63.100 0.151 0.000 1.022 396 P CB 0.225 31.918 31.700 -0.013 0.000 1.514 397 N N -0.264 118.479 118.700 0.072 0.000 2.564 397 N HA 0.051 4.791 4.740 -0.000 0.000 0.202 397 N C 0.612 176.112 175.510 -0.017 0.000 1.052 397 N CA 0.252 53.313 53.050 0.018 0.000 0.872 397 N CB -0.022 38.475 38.487 0.016 0.000 1.303 397 N HN 0.144 nan 8.380 nan 0.000 0.440 398 E N 0.108 120.305 120.200 -0.006 0.000 2.408 398 E HA -0.055 4.295 4.350 -0.000 0.000 0.259 398 E C 0.334 176.899 176.600 -0.058 0.000 1.110 398 E CA 0.005 56.396 56.400 -0.016 0.000 0.929 398 E CB 0.821 30.518 29.700 -0.005 0.000 0.971 398 E HN 0.308 nan 8.360 nan 0.000 0.438 399 H N 2.563 121.553 119.070 -0.133 0.000 2.480 399 H HA -0.001 4.555 4.556 -0.000 0.000 0.305 399 H C -1.615 173.616 175.328 -0.163 0.000 1.035 399 H CA 0.706 56.628 56.048 -0.209 0.000 1.221 399 H CB -1.150 28.529 29.762 -0.138 0.000 1.449 399 H HN 0.286 nan 8.280 nan 0.000 0.597 400 P HA 0.118 nan 4.420 nan 0.000 0.250 400 P C -0.472 176.739 177.300 -0.149 0.000 1.198 400 P CA 1.187 63.979 63.100 -0.514 0.000 1.118 400 P CB -0.022 31.526 31.700 -0.252 0.000 1.208 401 G N 1.302 110.149 108.800 0.077 0.000 2.871 401 G HA2 0.812 4.772 3.960 -0.000 0.000 0.282 401 G HA3 0.812 4.772 3.960 -0.000 0.000 0.282 401 G C -1.750 173.274 174.900 0.206 0.000 1.212 401 G CA -0.096 45.131 45.100 0.212 0.000 0.812 401 G HN 0.476 nan 8.290 nan 0.000 0.547 402 A N -1.244 121.553 122.820 -0.039 0.000 2.586 402 A HA 0.729 5.049 4.320 -0.000 0.000 0.290 402 A C -0.239 177.163 177.584 -0.303 0.000 1.086 402 A CA 0.300 52.133 52.037 -0.340 0.000 0.665 402 A CB 1.300 20.221 19.000 -0.132 0.000 1.279 402 A HN 1.188 nan 8.150 nan 0.000 0.423 403 K N -0.886 119.295 120.400 -0.366 0.000 2.477 403 K HA 0.442 4.762 4.320 -0.000 0.000 0.208 403 K C -0.970 175.358 176.600 -0.453 0.000 1.117 403 K CA 0.062 56.102 56.287 -0.412 0.000 1.039 403 K CB 0.687 32.848 32.500 -0.565 0.000 0.937 403 K HN 0.539 nan 8.250 nan 0.000 0.570 404 Y N 0.468 120.707 120.300 -0.101 0.000 2.442 404 Y HA 0.402 4.952 4.550 -0.000 0.000 0.330 404 Y C -1.273 174.583 175.900 -0.074 0.000 1.100 404 Y CA -1.399 56.649 58.100 -0.087 0.000 1.034 404 Y CB 2.750 41.158 38.460 -0.086 0.000 1.285 404 Y HN -0.321 nan 8.280 nan 0.000 0.440 405 V N 5.627 125.606 119.914 0.107 0.000 2.444 405 V HA 0.478 4.598 4.120 -0.000 0.000 0.294 405 V C -0.428 175.587 176.094 -0.131 0.000 1.022 405 V CA -0.670 61.636 62.300 0.010 0.000 0.850 405 V CB 1.648 33.498 31.823 0.045 0.000 0.992 405 V HN 0.532 nan 8.190 nan 0.000 0.426 406 I N 2.949 123.405 120.570 -0.190 0.000 2.389 406 I HA 0.717 4.887 4.170 -0.000 0.000 0.288 406 I C -0.105 175.695 176.117 -0.528 0.000 0.999 406 I CA -0.893 60.215 61.300 -0.320 0.000 1.129 406 I CB 1.577 39.443 38.000 -0.224 0.000 1.288 406 I HN 0.470 nan 8.210 nan 0.000 0.444 407 R N 2.638 122.617 120.500 -0.868 0.000 2.546 407 R HA 0.294 4.634 4.340 -0.000 0.000 0.266 407 R C 0.669 176.638 176.300 -0.551 0.000 1.086 407 R CA -0.470 54.801 56.100 -1.381 0.000 1.160 407 R CB 0.293 29.605 30.300 -1.646 0.000 1.138 407 R HN 0.714 nan 8.270 nan 0.000 0.567 408 D N 0.030 120.265 120.400 -0.274 0.000 2.133 408 D HA -0.211 4.429 4.640 -0.000 0.000 0.195 408 D C 0.359 176.609 176.300 -0.083 0.000 0.997 408 D CA 1.615 55.590 54.000 -0.042 0.000 0.840 408 D CB -0.469 40.402 40.800 0.117 0.000 0.947 408 D HN 0.460 nan 8.370 nan 0.000 0.452 409 S N 0.016 115.657 115.700 -0.100 0.000 3.361 409 S HA 0.287 4.756 4.470 -0.000 0.000 0.246 409 S C 1.454 175.985 174.600 -0.116 0.000 1.237 409 S CA -0.106 58.044 58.200 -0.083 0.000 1.240 409 S CB -1.174 61.989 63.200 -0.062 0.000 1.154 409 S HN 0.553 nan 8.310 nan 0.000 0.461 410 G N 1.319 110.047 108.800 -0.119 0.000 2.263 410 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.266 410 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.266 410 G C -0.335 174.486 174.900 -0.133 0.000 0.817 410 G CA 0.621 45.649 45.100 -0.119 0.000 1.111 410 G HN 0.704 nan 8.290 nan 0.000 0.445 411 D N -0.868 119.423 120.400 -0.182 0.000 2.863 411 D HA 0.427 5.067 4.640 -0.000 0.000 0.245 411 D C 0.411 176.578 176.300 -0.223 0.000 1.211 411 D CA -0.876 53.018 54.000 -0.176 0.000 0.888 411 D CB 0.873 41.583 40.800 -0.150 0.000 1.483 411 D HN 0.473 nan 8.370 nan 0.000 0.533 412 R N 3.485 123.856 120.500 -0.215 0.000 2.234 412 R HA 0.533 4.873 4.340 -0.000 0.000 0.324 412 R C -0.054 176.130 176.300 -0.193 0.000 1.054 412 R CA -0.547 55.398 56.100 -0.258 0.000 0.912 412 R CB 0.698 30.769 30.300 -0.381 0.000 1.030 412 R HN 0.341 nan 8.270 nan 0.000 0.455 413 I N 2.365 122.852 120.570 -0.137 0.000 2.342 413 I HA 0.077 4.247 4.170 -0.000 0.000 0.291 413 I C 0.116 176.288 176.117 0.091 0.000 1.010 413 I CA -0.499 60.777 61.300 -0.040 0.000 1.308 413 I CB 1.162 39.142 38.000 -0.032 0.000 1.400 413 I HN 0.586 nan 8.210 nan 0.000 0.488 414 D N 7.046 127.510 120.400 0.107 0.000 2.393 414 D HA 0.143 4.783 4.640 -0.000 0.000 0.232 414 D C 1.015 177.353 176.300 0.063 0.000 1.192 414 D CA -0.119 54.003 54.000 0.203 0.000 0.882 414 D CB 1.216 42.044 40.800 0.047 0.000 1.038 414 D HN 0.549 nan 8.370 nan 0.000 0.499 415 L N 3.812 125.050 121.223 0.025 0.000 2.189 415 L HA -0.197 4.143 4.340 -0.000 0.000 0.214 415 L C 2.308 179.185 176.870 0.011 0.000 1.097 415 L CA 1.120 55.957 54.840 -0.005 0.000 0.764 415 L CB -0.063 41.966 42.059 -0.051 0.000 0.900 415 L HN 0.420 nan 8.230 nan 0.000 0.436 416 R N -2.109 118.377 120.500 -0.023 0.000 2.310 416 R HA -0.007 4.333 4.340 -0.000 0.000 0.202 416 R C 0.970 177.573 176.300 0.504 0.000 0.933 416 R CA 0.550 56.733 56.100 0.139 0.000 1.054 416 R CB -0.052 30.304 30.300 0.094 0.000 0.985 416 R HN 0.417 nan 8.270 nan 0.000 0.489 417 Y N 0.126 120.434 120.300 0.013 0.000 2.846 417 Y HA 0.136 4.686 4.550 -0.000 0.000 0.258 417 Y C 0.886 176.798 175.900 0.020 0.000 1.077 417 Y CA -0.724 57.386 58.100 0.018 0.000 1.270 417 Y CB 0.304 38.779 38.460 0.025 0.000 1.476 417 Y HN -0.006 nan 8.280 nan 0.000 0.460 418 S N 3.145 118.968 115.700 0.205 0.000 3.545 418 S HA -0.172 4.298 4.470 -0.000 0.000 0.421 418 S C 1.015 175.668 174.600 0.088 0.000 1.160 418 S CA 0.299 58.569 58.200 0.117 0.000 1.002 418 S CB 0.126 63.376 63.200 0.083 0.000 0.703 418 S HN 0.536 nan 8.310 nan 0.000 0.505 419 K N 4.395 124.836 120.400 0.068 0.000 2.589 419 K HA -0.083 4.237 4.320 -0.000 0.000 0.195 419 K C 1.160 177.787 176.600 0.045 0.000 1.042 419 K CA 1.364 57.679 56.287 0.048 0.000 0.940 419 K CB -0.109 32.412 32.500 0.036 0.000 0.776 419 K HN 0.681 nan 8.250 nan 0.000 0.487 420 R N -0.363 120.168 120.500 0.052 0.000 2.543 420 R HA 0.274 4.614 4.340 -0.000 0.000 0.323 420 R C 1.620 177.952 176.300 0.054 0.000 1.002 420 R CA 0.358 56.488 56.100 0.050 0.000 1.106 420 R CB 0.521 30.854 30.300 0.055 0.000 1.280 420 R HN 0.226 nan 8.270 nan 0.000 0.549 421 A N 1.242 124.096 122.820 0.057 0.000 1.954 421 A HA -0.216 4.104 4.320 -0.000 0.000 0.222 421 A C 2.143 179.754 177.584 0.046 0.000 1.199 421 A CA 2.269 54.339 52.037 0.055 0.000 0.657 421 A CB -0.901 18.135 19.000 0.060 0.000 0.823 421 A HN 0.460 nan 8.150 nan 0.000 0.463 422 G N -1.627 107.197 108.800 0.040 0.000 2.623 422 G HA2 0.035 3.995 3.960 -0.000 0.000 0.214 422 G HA3 0.035 3.995 3.960 -0.000 0.000 0.214 422 G C 0.964 175.884 174.900 0.033 0.000 1.138 422 G CA 0.896 46.016 45.100 0.032 0.000 0.794 422 G HN 0.536 nan 8.290 nan 0.000 0.535 423 D N 0.285 120.708 120.400 0.039 0.000 2.063 423 D HA 0.179 4.819 4.640 -0.000 0.000 0.289 423 D C 0.813 177.143 176.300 0.051 0.000 1.111 423 D CA -0.197 53.827 54.000 0.040 0.000 1.023 423 D CB 0.117 40.943 40.800 0.043 0.000 1.152 423 D HN 0.113 nan 8.370 nan 0.000 0.465 424 I N 0.001 120.611 120.570 0.067 0.000 8.455 424 I HA -0.242 3.928 4.170 -0.000 0.000 0.126 424 I C -0.517 175.635 176.117 0.057 0.000 1.855 424 I CA -0.125 61.234 61.300 0.098 0.000 2.041 424 I CB -0.647 37.430 38.000 0.128 0.000 3.831 424 I HN 0.322 nan 8.210 nan 0.000 0.170 425 Q N 6.673 126.486 119.800 0.022 0.000 2.309 425 Q HA 0.783 5.123 4.340 -0.000 0.000 0.264 425 Q C -0.543 175.365 176.000 -0.152 0.000 1.008 425 Q CA -0.962 54.805 55.803 -0.060 0.000 0.853 425 Q CB 2.419 31.107 28.738 -0.083 0.000 1.314 425 Q HN 0.619 nan 8.270 nan 0.000 0.448 426 L N 1.087 122.184 121.223 -0.211 0.000 2.439 426 L HA 0.327 4.667 4.340 -0.000 0.000 0.259 426 L C 0.410 176.860 176.870 -0.700 0.000 1.129 426 L CA -0.616 54.004 54.840 -0.367 0.000 0.803 426 L CB 0.686 42.632 42.059 -0.187 0.000 1.161 426 L HN 0.443 nan 8.230 nan 0.000 0.462 427 Q N 1.162 120.281 119.800 -1.134 0.000 2.310 427 Q HA 0.314 4.654 4.340 -0.000 0.000 0.270 427 Q C -1.451 174.205 176.000 -0.573 0.000 1.025 427 Q CA -0.814 54.373 55.803 -1.028 0.000 0.772 427 Q CB 1.976 29.681 28.738 -1.723 0.000 1.253 427 Q HN 0.332 nan 8.270 nan 0.000 0.450 428 Y N 0.686 120.798 120.300 -0.313 0.000 2.944 428 Y HA 0.017 4.567 4.550 -0.000 0.000 0.340 428 Y C 1.657 177.500 175.900 -0.095 0.000 1.275 428 Y CA 2.186 60.184 58.100 -0.169 0.000 1.590 428 Y CB 0.071 38.444 38.460 -0.144 0.000 1.218 428 Y HN 1.014 nan 8.280 nan 0.000 0.576 429 G N 0.568 109.434 108.800 0.110 0.000 2.232 429 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.226 429 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.226 429 G C -0.127 174.931 174.900 0.263 0.000 0.996 429 G CA -0.533 44.656 45.100 0.149 0.000 0.626 429 G HN 0.497 nan 8.290 nan 0.000 0.509 430 W N 1.378 122.658 121.300 -0.033 0.000 2.161 430 W HA 0.728 5.388 4.660 -0.000 0.000 0.344 430 W C 0.721 177.205 176.519 -0.057 0.000 1.262 430 W CA -0.563 56.756 57.345 -0.045 0.000 1.270 430 W CB 0.514 29.945 29.460 -0.049 0.000 1.126 430 W HN 0.000 nan 8.180 nan 0.000 0.598 431 K N 0.860 121.332 120.400 0.119 0.000 2.270 431 K HA 0.557 4.877 4.320 -0.000 0.000 0.255 431 K C -1.357 175.259 176.600 0.027 0.000 0.936 431 K CA -0.780 55.524 56.287 0.029 0.000 0.809 431 K CB 1.984 34.458 32.500 -0.043 0.000 1.131 431 K HN 0.084 nan 8.250 nan 0.000 0.427 432 V N 3.718 123.648 119.914 0.026 0.000 2.349 432 V HA 0.130 4.250 4.120 -0.000 0.000 0.284 432 V C -0.526 175.577 176.094 0.016 0.000 1.014 432 V CA -0.796 61.525 62.300 0.035 0.000 0.826 432 V CB 1.308 33.160 31.823 0.048 0.000 1.009 432 V HN 0.732 nan 8.190 nan 0.000 0.431 433 E N 5.632 125.852 120.200 0.033 0.000 2.220 433 E HA 0.223 4.573 4.350 -0.000 0.000 0.272 433 E C 0.037 176.628 176.600 -0.016 0.000 1.099 433 E CA -0.169 56.256 56.400 0.042 0.000 0.907 433 E CB 0.715 30.495 29.700 0.133 0.000 1.022 433 E HN 0.657 nan 8.360 nan 0.000 0.428 434 R N 2.052 122.556 120.500 0.007 0.000 2.797 434 R HA 0.441 4.781 4.340 -0.000 0.000 0.251 434 R C 0.168 176.433 176.300 -0.057 0.000 1.107 434 R CA -0.901 55.161 56.100 -0.064 0.000 1.084 434 R CB 0.688 31.009 30.300 0.035 0.000 1.205 434 R HN 0.399 nan 8.270 nan 0.000 0.515 435 H N 0.440 119.542 119.070 0.053 0.000 2.690 435 H HA 0.118 4.674 4.556 -0.000 0.000 0.365 435 H C 0.408 175.801 175.328 0.109 0.000 1.142 435 H CA -0.240 55.850 56.048 0.071 0.000 1.417 435 H CB 0.660 30.439 29.762 0.029 0.000 1.446 435 H HN 0.295 nan 8.280 nan 0.000 0.599 436 I N 3.288 124.017 120.570 0.266 0.000 2.598 436 I HA -0.044 4.125 4.170 -0.000 0.000 0.284 436 I C 0.953 177.183 176.117 0.188 0.000 1.140 436 I CA 0.697 62.109 61.300 0.187 0.000 1.420 436 I CB -0.696 37.398 38.000 0.156 0.000 1.387 436 I HN 0.366 nan 8.210 nan 0.000 0.553 437 M N 3.727 123.396 119.600 0.115 0.000 2.762 437 M HA 0.355 4.835 4.480 -0.000 0.000 0.306 437 M C -0.038 176.305 176.300 0.072 0.000 1.223 437 M CA -1.024 54.343 55.300 0.113 0.000 0.896 437 M CB 1.176 33.811 32.600 0.059 0.000 1.684 437 M HN 0.361 nan 8.290 nan 0.000 0.491 438 D N 2.119 122.565 120.400 0.078 0.000 2.531 438 D HA -0.004 4.636 4.640 -0.000 0.000 0.239 438 D C -0.326 175.976 176.300 0.005 0.000 1.144 438 D CA 1.183 55.203 54.000 0.033 0.000 0.869 438 D CB 0.081 40.899 40.800 0.030 0.000 1.160 438 D HN 0.580 nan 8.370 nan 0.000 0.484 439 N N 1.741 120.433 118.700 -0.014 0.000 2.920 439 N HA -0.142 4.598 4.740 -0.000 0.000 0.247 439 N C -1.483 173.999 175.510 -0.046 0.000 1.123 439 N CA 0.412 53.446 53.050 -0.027 0.000 0.711 439 N CB -0.647 37.827 38.487 -0.022 0.000 1.065 439 N HN 0.384 nan 8.380 nan 0.000 0.554 440 D N 0.951 121.318 120.400 -0.055 0.000 2.427 440 D HA 0.219 4.859 4.640 -0.000 0.000 0.226 440 D C -2.190 174.063 176.300 -0.079 0.000 1.076 440 D CA -1.197 52.742 54.000 -0.102 0.000 0.849 440 D CB 1.080 41.811 40.800 -0.116 0.000 1.052 440 D HN 0.110 nan 8.370 nan 0.000 0.515 441 P HA -0.091 nan 4.420 nan 0.000 0.261 441 P C -0.332 176.956 177.300 -0.021 0.000 1.173 441 P CA 0.101 63.175 63.100 -0.044 0.000 0.760 441 P CB 0.699 32.372 31.700 -0.046 0.000 0.783 442 V N 1.926 121.847 119.914 0.011 0.000 3.130 442 V HA 0.487 4.607 4.120 -0.000 0.000 0.310 442 V C -0.204 175.950 176.094 0.100 0.000 1.158 442 V CA -1.266 61.065 62.300 0.052 0.000 1.029 442 V CB 2.500 34.340 31.823 0.029 0.000 1.057 442 V HN 0.403 nan 8.190 nan 0.000 0.436 443 L N 2.170 123.486 121.223 0.156 0.000 2.287 443 L HA 0.616 4.956 4.340 -0.000 0.000 0.287 443 L C -1.486 175.564 176.870 0.299 0.000 1.022 443 L CA -0.337 54.631 54.840 0.212 0.000 0.814 443 L CB 1.300 43.487 42.059 0.213 0.000 1.217 443 L HN 0.749 nan 8.230 nan 0.000 0.420 444 F N 6.179 126.227 119.950 0.164 0.000 2.492 444 F HA 0.571 5.098 4.527 -0.000 0.000 0.327 444 F C -0.096 175.855 175.800 0.252 0.000 1.079 444 F CA -0.706 57.350 58.000 0.093 0.000 0.967 444 F CB 1.586 40.667 39.000 0.135 0.000 1.169 444 F HN 0.613 nan 8.300 nan 0.000 0.472 445 N N 3.371 121.963 118.700 -0.179 0.000 3.185 445 N HA 0.282 5.022 4.740 -0.000 0.000 0.238 445 N C -2.189 173.239 175.510 -0.137 0.000 1.451 445 N CA -0.811 52.274 53.050 0.058 0.000 0.888 445 N CB 2.136 40.703 38.487 0.134 0.000 1.413 445 N HN 0.795 nan 8.380 nan 0.000 0.511 446 R N 1.491 122.032 120.500 0.069 0.000 2.500 446 R HA 0.269 4.609 4.340 -0.000 0.000 0.299 446 R C -0.971 175.343 176.300 0.023 0.000 1.038 446 R CA -0.315 55.784 56.100 -0.002 0.000 0.903 446 R CB 1.162 31.469 30.300 0.012 0.000 1.177 446 R HN 0.629 nan 8.270 nan 0.000 0.455 447 Q N 3.836 123.638 119.800 0.003 0.000 2.417 447 Q HA 0.262 4.602 4.340 -0.000 0.000 0.241 447 Q C -1.956 174.038 176.000 -0.010 0.000 1.008 447 Q CA -1.443 54.361 55.803 0.002 0.000 0.901 447 Q CB 0.547 29.290 28.738 0.008 0.000 1.259 447 Q HN 0.453 nan 8.270 nan 0.000 0.489 448 P HA 0.069 nan 4.420 nan 0.000 0.282 448 P C -1.135 176.142 177.300 -0.038 0.000 1.262 448 P CA -0.262 62.824 63.100 -0.023 0.000 0.773 448 P CB 0.993 32.676 31.700 -0.029 0.000 0.879 449 S N 3.495 119.179 115.700 -0.027 0.000 2.416 449 S HA 0.242 4.712 4.470 -0.000 0.000 0.287 449 S C 0.687 175.253 174.600 -0.056 0.000 1.139 449 S CA -0.438 57.743 58.200 -0.033 0.000 1.058 449 S CB -0.068 63.130 63.200 -0.004 0.000 0.967 449 S HN 0.345 nan 8.310 nan 0.000 0.495 450 L N 1.256 122.419 121.223 -0.100 0.000 3.358 450 L HA 0.524 4.864 4.340 -0.000 0.000 0.301 450 L C 0.028 176.852 176.870 -0.077 0.000 1.276 450 L CA -0.086 54.684 54.840 -0.116 0.000 1.028 450 L CB -0.946 41.015 42.059 -0.163 0.000 1.421 450 L HN 0.595 nan 8.230 nan 0.000 0.604 451 H N -0.948 118.063 119.070 -0.098 0.000 2.907 451 H HA 0.413 4.969 4.556 -0.000 0.000 0.361 451 H C 0.171 175.426 175.328 -0.121 0.000 1.194 451 H CA -0.862 55.114 56.048 -0.118 0.000 1.152 451 H CB 2.812 32.494 29.762 -0.133 0.000 1.867 451 H HN -0.105 nan 8.280 nan 0.000 0.561 452 K N 0.972 121.352 120.400 -0.034 0.000 2.076 452 K HA -0.062 4.258 4.320 -0.000 0.000 0.204 452 K C 1.654 178.188 176.600 -0.111 0.000 1.051 452 K CA 1.121 57.356 56.287 -0.087 0.000 0.949 452 K CB 0.130 32.556 32.500 -0.124 0.000 0.726 452 K HN 0.479 nan 8.250 nan 0.000 0.443 453 M N 0.438 119.933 119.600 -0.174 0.000 2.202 453 M HA -0.142 4.338 4.480 -0.000 0.000 0.262 453 M C 1.864 177.965 176.300 -0.332 0.000 1.063 453 M CA 1.364 56.509 55.300 -0.259 0.000 1.097 453 M CB -0.116 32.283 32.600 -0.335 0.000 1.382 453 M HN -0.088 nan 8.290 nan 0.000 0.413 454 S N -0.231 115.377 115.700 -0.153 0.000 2.528 454 S HA 0.025 4.495 4.470 -0.000 0.000 0.244 454 S C 0.643 175.176 174.600 -0.110 0.000 0.982 454 S CA 0.815 58.914 58.200 -0.168 0.000 0.953 454 S CB -0.324 62.862 63.200 -0.023 0.000 0.754 454 S HN 0.414 nan 8.310 nan 0.000 0.529 455 M N 1.327 120.865 119.600 -0.103 0.000 2.090 455 M HA 0.430 4.910 4.480 -0.000 0.000 0.277 455 M C -1.155 175.145 176.300 0.000 0.000 0.935 455 M CA 0.253 55.576 55.300 0.039 0.000 0.966 455 M CB 1.596 34.225 32.600 0.049 0.000 1.635 455 M HN 0.081 nan 8.290 nan 0.000 0.446 456 M N 1.584 121.241 119.600 0.094 0.000 2.644 456 M HA 0.746 5.226 4.480 -0.000 0.000 0.304 456 M C -0.300 175.960 176.300 -0.065 0.000 1.215 456 M CA -0.846 54.431 55.300 -0.037 0.000 0.871 456 M CB 2.548 35.062 32.600 -0.144 0.000 1.740 456 M HN 0.665 nan 8.290 nan 0.000 0.464 457 A N 1.452 124.171 122.820 -0.169 0.000 2.328 457 A HA 0.608 4.928 4.320 -0.000 0.000 0.284 457 A C -0.885 176.509 177.584 -0.317 0.000 1.160 457 A CA -0.337 51.618 52.037 -0.137 0.000 0.818 457 A CB 0.172 19.125 19.000 -0.079 0.000 1.087 457 A HN 0.836 nan 8.150 nan 0.000 0.504 458 H N 1.165 120.224 119.070 -0.018 0.000 2.797 458 H HA 0.444 5.000 4.556 -0.000 0.000 0.362 458 H C -0.522 174.750 175.328 -0.093 0.000 1.183 458 H CA -0.685 55.317 56.048 -0.075 0.000 1.197 458 H CB 1.492 31.148 29.762 -0.177 0.000 1.835 458 H HN 0.692 nan 8.280 nan 0.000 0.567 459 R N 0.670 121.198 120.500 0.047 0.000 2.265 459 R HA 0.326 4.666 4.340 -0.000 0.000 0.319 459 R C -0.437 175.835 176.300 -0.047 0.000 1.006 459 R CA -0.709 55.384 56.100 -0.013 0.000 0.880 459 R CB 1.491 31.781 30.300 -0.016 0.000 1.077 459 R HN 0.160 nan 8.270 nan 0.000 0.454 460 V N 3.919 123.801 119.914 -0.053 0.000 2.572 460 V HA 0.058 4.178 4.120 -0.000 0.000 0.291 460 V C 0.194 176.255 176.094 -0.054 0.000 1.039 460 V CA 0.464 62.722 62.300 -0.070 0.000 1.055 460 V CB 0.960 32.759 31.823 -0.039 0.000 0.969 460 V HN 0.510 nan 8.190 nan 0.000 0.482 461 K N 4.986 125.342 120.400 -0.074 0.000 2.616 461 K HA 0.322 4.642 4.320 -0.000 0.000 0.241 461 K C -0.801 175.765 176.600 -0.056 0.000 0.961 461 K CA -0.502 55.751 56.287 -0.056 0.000 0.942 461 K CB 1.560 34.019 32.500 -0.068 0.000 1.153 461 K HN 0.541 nan 8.250 nan 0.000 0.452 462 V N 3.287 123.173 119.914 -0.045 0.000 2.655 462 V HA 0.460 4.580 4.120 -0.000 0.000 0.300 462 V C 0.516 176.556 176.094 -0.090 0.000 1.044 462 V CA -0.291 61.953 62.300 -0.093 0.000 1.095 462 V CB -0.249 31.469 31.823 -0.174 0.000 0.952 462 V HN 0.594 nan 8.190 nan 0.000 0.485 463 I N 0.894 121.413 120.570 -0.086 0.000 3.004 463 I HA 0.716 4.886 4.170 -0.000 0.000 0.305 463 I C -2.811 173.289 176.117 -0.029 0.000 1.312 463 I CA -2.400 58.875 61.300 -0.042 0.000 0.992 463 I CB 2.255 40.252 38.000 -0.005 0.000 1.282 463 I HN 0.435 nan 8.210 nan 0.000 0.449 464 P HA 0.219 nan 4.420 nan 0.000 0.277 464 P C -1.329 176.047 177.300 0.127 0.000 1.276 464 P CA 0.298 63.383 63.100 -0.025 0.000 0.788 464 P CB 0.189 31.860 31.700 -0.048 0.000 1.114 465 Y N -2.920 117.336 120.300 -0.073 0.000 2.543 465 Y HA -0.189 4.361 4.550 -0.000 0.000 0.026 465 Y C 0.990 176.837 175.900 -0.089 0.000 1.737 465 Y CA 0.422 58.478 58.100 -0.074 0.000 1.393 465 Y CB -2.365 36.055 38.460 -0.067 0.000 2.040 465 Y HN 0.226 nan 8.280 nan 0.000 0.260 466 S N 1.215 116.929 115.700 0.023 0.000 3.305 466 S HA 0.250 4.720 4.470 -0.000 0.000 0.248 466 S C 0.339 174.875 174.600 -0.107 0.000 1.288 466 S CA 0.365 58.528 58.200 -0.062 0.000 1.249 466 S CB -0.812 62.341 63.200 -0.079 0.000 1.116 466 S HN 0.661 nan 8.310 nan 0.000 0.465 467 T N -1.594 112.915 114.554 -0.076 0.000 2.906 467 T HA 0.614 4.964 4.350 -0.000 0.000 0.295 467 T C -0.518 174.171 174.700 -0.018 0.000 1.075 467 T CA -0.843 61.196 62.100 -0.102 0.000 1.005 467 T CB 0.802 69.636 68.868 -0.058 0.000 1.136 467 T HN 0.192 nan 8.240 nan 0.000 0.498 468 F N 1.955 121.909 119.950 0.007 0.000 2.404 468 F HA 0.343 4.870 4.527 -0.000 0.000 0.359 468 F C 1.351 177.130 175.800 -0.036 0.000 1.134 468 F CA -1.113 56.898 58.000 0.019 0.000 1.160 468 F CB 0.744 39.884 39.000 0.233 0.000 1.186 468 F HN 0.224 nan 8.300 nan 0.000 0.526 469 R N 6.177 126.723 120.500 0.076 0.000 2.296 469 R HA 0.303 4.643 4.340 -0.000 0.000 0.327 469 R C -0.616 175.622 176.300 -0.103 0.000 1.137 469 R CA -0.565 55.507 56.100 -0.046 0.000 1.020 469 R CB 0.506 30.764 30.300 -0.070 0.000 1.110 469 R HN 0.587 nan 8.270 nan 0.000 0.499 470 L N -0.322 120.869 121.223 -0.053 0.000 2.352 470 L HA 0.530 4.870 4.340 -0.000 0.000 0.269 470 L C 0.212 177.085 176.870 0.004 0.000 1.034 470 L CA -1.035 53.758 54.840 -0.079 0.000 0.806 470 L CB 0.809 42.889 42.059 0.036 0.000 1.244 470 L HN 0.224 nan 8.230 nan 0.000 0.447 471 N N 1.064 119.768 118.700 0.007 0.000 2.525 471 N HA 0.168 4.908 4.740 -0.000 0.000 0.271 471 N C 0.654 176.241 175.510 0.128 0.000 1.194 471 N CA -0.033 53.053 53.050 0.059 0.000 0.964 471 N CB 1.217 39.732 38.487 0.046 0.000 1.126 471 N HN 0.919 nan 8.380 nan 0.000 0.452 472 L N 1.814 123.128 121.223 0.152 0.000 1.970 472 L HA -0.196 4.144 4.340 -0.000 0.000 0.212 472 L C 2.227 179.188 176.870 0.151 0.000 1.071 472 L CA 1.238 56.192 54.840 0.189 0.000 0.751 472 L CB -0.494 41.676 42.059 0.185 0.000 0.889 472 L HN 0.568 nan 8.230 nan 0.000 0.432 473 S N -1.061 114.720 115.700 0.136 0.000 2.440 473 S HA -0.181 4.289 4.470 -0.000 0.000 0.240 473 S C 1.494 176.109 174.600 0.025 0.000 1.014 473 S CA 1.147 59.410 58.200 0.106 0.000 0.980 473 S CB -0.239 63.038 63.200 0.129 0.000 0.775 473 S HN 0.306 nan 8.310 nan 0.000 0.499 474 V N 1.497 121.447 119.914 0.060 0.000 3.577 474 V HA 0.045 4.164 4.120 -0.000 0.000 0.294 474 V C 1.861 178.116 176.094 0.267 0.000 1.317 474 V CA 0.989 63.376 62.300 0.145 0.000 1.169 474 V CB -0.569 31.399 31.823 0.242 0.000 1.011 474 V HN 0.560 nan 8.190 nan 0.000 0.426 475 T N 0.430 115.089 114.554 0.176 0.000 2.590 475 T HA -0.177 4.173 4.350 -0.000 0.000 0.257 475 T C 2.282 177.070 174.700 0.146 0.000 1.080 475 T CA 2.359 64.547 62.100 0.147 0.000 1.180 475 T CB -0.407 68.493 68.868 0.054 0.000 0.865 475 T HN 0.793 nan 8.240 nan 0.000 0.403 476 S N 2.137 117.890 115.700 0.089 0.000 2.413 476 S HA -0.092 4.378 4.470 -0.000 0.000 0.237 476 S C -0.559 174.094 174.600 0.089 0.000 1.044 476 S CA 1.566 59.809 58.200 0.071 0.000 1.024 476 S CB -1.972 61.262 63.200 0.056 0.000 0.829 476 S HN 0.481 nan 8.310 nan 0.000 0.475 477 P HA -0.041 nan 4.420 nan 0.000 0.216 477 P C 0.781 178.075 177.300 -0.010 0.000 1.153 477 P CA 1.112 64.214 63.100 0.003 0.000 0.848 477 P CB -0.193 31.441 31.700 -0.110 0.000 0.787 478 Y N -2.192 118.143 120.300 0.058 0.000 2.544 478 Y HA 0.119 4.669 4.550 -0.000 0.000 0.286 478 Y C 0.861 176.754 175.900 -0.012 0.000 1.141 478 Y CA 0.189 58.303 58.100 0.024 0.000 1.299 478 Y CB -0.674 37.784 38.460 -0.003 0.000 1.030 478 Y HN -0.046 nan 8.280 nan 0.000 0.543 479 N N 0.579 119.360 118.700 0.136 0.000 2.681 479 N HA -0.172 4.568 4.740 -0.000 0.000 0.259 479 N C -0.939 174.578 175.510 0.012 0.000 1.066 479 N CA 0.728 53.804 53.050 0.044 0.000 0.717 479 N CB -0.941 37.545 38.487 -0.002 0.000 0.885 479 N HN 0.384 nan 8.380 nan 0.000 0.547 480 A N 0.864 123.678 122.820 -0.010 0.000 2.479 480 A HA 0.782 5.102 4.320 -0.000 0.000 0.296 480 A C -0.480 176.955 177.584 -0.248 0.000 1.121 480 A CA -0.073 51.908 52.037 -0.093 0.000 0.743 480 A CB 1.420 20.376 19.000 -0.073 0.000 1.323 480 A HN 0.546 nan 8.150 nan 0.000 0.415 481 D N -1.590 118.615 120.400 -0.324 0.000 2.781 481 D HA 0.572 5.212 4.640 -0.000 0.000 0.295 481 D C -0.638 175.308 176.300 -0.589 0.000 1.143 481 D CA -0.439 53.228 54.000 -0.556 0.000 1.076 481 D CB 0.438 41.079 40.800 -0.265 0.000 1.444 481 D HN 0.264 nan 8.370 nan 0.000 0.567 482 F N -0.505 119.454 119.950 0.015 0.000 2.735 482 F HA 0.171 4.698 4.527 -0.000 0.000 0.304 482 F C 0.640 176.443 175.800 0.005 0.000 1.119 482 F CA -0.792 57.214 58.000 0.010 0.000 1.280 482 F CB 0.374 39.382 39.000 0.013 0.000 0.994 482 F HN 0.208 nan 8.300 nan 0.000 0.520 483 D N 0.362 120.812 120.400 0.084 0.000 2.644 483 D HA 0.122 4.761 4.640 -0.000 0.000 0.252 483 D C 1.451 177.781 176.300 0.050 0.000 1.254 483 D CA 0.465 54.499 54.000 0.056 0.000 0.884 483 D CB -0.340 40.469 40.800 0.015 0.000 1.034 483 D HN 0.400 nan 8.370 nan 0.000 0.473 484 G N 0.072 108.919 108.800 0.078 0.000 2.141 484 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.195 484 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.195 484 G C -0.544 174.383 174.900 0.046 0.000 1.012 484 G CA -0.363 44.769 45.100 0.053 0.000 0.696 484 G HN 0.407 nan 8.290 nan 0.000 0.508 485 D N 0.739 121.180 120.400 0.068 0.000 2.304 485 D HA 0.523 5.163 4.640 -0.000 0.000 0.247 485 D C 0.702 177.037 176.300 0.058 0.000 1.089 485 D CA 0.269 54.297 54.000 0.046 0.000 0.910 485 D CB 0.970 41.786 40.800 0.026 0.000 1.199 485 D HN 0.516 nan 8.370 nan 0.000 0.426 486 E N 0.777 120.993 120.200 0.028 0.000 2.263 486 E HA 0.612 4.962 4.350 -0.000 0.000 0.264 486 E C -0.314 176.289 176.600 0.004 0.000 0.923 486 E CA -0.754 55.664 56.400 0.029 0.000 0.802 486 E CB 2.234 31.941 29.700 0.012 0.000 1.228 486 E HN 0.252 nan 8.360 nan 0.000 0.417 487 M N 1.297 120.921 119.600 0.039 0.000 2.520 487 M HA 0.356 4.836 4.480 -0.000 0.000 0.283 487 M C -1.352 174.924 176.300 -0.040 0.000 1.237 487 M CA -0.996 54.223 55.300 -0.135 0.000 0.885 487 M CB 2.330 34.623 32.600 -0.513 0.000 1.727 487 M HN 0.375 nan 8.290 nan 0.000 0.468 488 N N 1.480 120.052 118.700 -0.212 0.000 2.456 488 N HA 0.754 5.493 4.740 -0.000 0.000 0.296 488 N C -1.599 173.749 175.510 -0.270 0.000 1.102 488 N CA -0.466 52.484 53.050 -0.167 0.000 0.924 488 N CB 1.514 39.889 38.487 -0.186 0.000 1.186 488 N HN 0.427 nan 8.380 nan 0.000 0.492 489 L N 2.003 123.089 121.223 -0.228 0.000 2.409 489 L HA 0.439 4.779 4.340 -0.000 0.000 0.272 489 L C -1.449 175.275 176.870 -0.244 0.000 0.980 489 L CA -0.484 54.276 54.840 -0.134 0.000 0.826 489 L CB 1.099 43.093 42.059 -0.108 0.000 1.268 489 L HN 0.562 nan 8.230 nan 0.000 0.407 490 H N 4.117 123.273 119.070 0.143 0.000 2.538 490 H HA 0.557 5.113 4.556 -0.000 0.000 0.353 490 H C -0.981 174.434 175.328 0.146 0.000 1.109 490 H CA -0.644 55.492 56.048 0.146 0.000 1.192 490 H CB 2.339 32.172 29.762 0.119 0.000 1.555 490 H HN 0.362 nan 8.280 nan 0.000 0.518 491 V N 6.263 126.367 119.914 0.316 0.000 2.383 491 V HA 0.156 4.276 4.120 -0.000 0.000 0.275 491 V C -1.642 174.583 176.094 0.220 0.000 1.036 491 V CA -1.438 61.020 62.300 0.263 0.000 0.889 491 V CB 1.243 33.274 31.823 0.346 0.000 0.985 491 V HN 0.645 nan 8.190 nan 0.000 0.459 492 P HA 0.043 nan 4.420 nan 0.000 0.271 492 P C -0.444 176.960 177.300 0.173 0.000 1.238 492 P CA 0.100 63.270 63.100 0.117 0.000 0.794 492 P CB 1.335 33.083 31.700 0.081 0.000 0.959 493 Q N -1.102 118.764 119.800 0.110 0.000 2.171 493 Q HA 0.181 4.521 4.340 -0.000 0.000 0.250 493 Q C 0.233 176.254 176.000 0.035 0.000 0.791 493 Q CA 0.165 55.994 55.803 0.043 0.000 0.950 493 Q CB 0.473 29.076 28.738 -0.226 0.000 1.151 493 Q HN 0.472 nan 8.270 nan 0.000 0.480 494 S N -0.564 115.188 115.700 0.086 0.000 2.513 494 S HA 0.313 4.783 4.470 -0.000 0.000 0.299 494 S C 0.600 175.283 174.600 0.139 0.000 1.087 494 S CA -0.396 57.840 58.200 0.061 0.000 1.012 494 S CB 1.447 64.651 63.200 0.007 0.000 1.044 494 S HN 0.182 nan 8.310 nan 0.000 0.485 495 E N 2.670 122.958 120.200 0.146 0.000 2.136 495 E HA -0.253 4.097 4.350 -0.000 0.000 0.202 495 E C 1.571 178.225 176.600 0.089 0.000 1.019 495 E CA 2.607 59.097 56.400 0.149 0.000 0.819 495 E CB -0.141 29.630 29.700 0.118 0.000 0.739 495 E HN 0.876 nan 8.360 nan 0.000 0.458 496 E N -1.690 118.549 120.200 0.063 0.000 2.418 496 E HA -0.064 4.286 4.350 -0.000 0.000 0.197 496 E C 1.673 178.294 176.600 0.035 0.000 1.026 496 E CA 1.251 57.678 56.400 0.045 0.000 0.862 496 E CB -0.096 29.625 29.700 0.035 0.000 0.799 496 E HN 0.080 nan 8.360 nan 0.000 0.518 497 T N 1.293 115.873 114.554 0.042 0.000 2.735 497 T HA -0.051 4.299 4.350 -0.000 0.000 0.256 497 T C 1.721 176.438 174.700 0.029 0.000 1.042 497 T CA 1.174 63.292 62.100 0.030 0.000 1.147 497 T CB -0.137 68.754 68.868 0.038 0.000 0.865 497 T HN 0.210 nan 8.240 nan 0.000 0.421 498 R N 1.856 122.381 120.500 0.041 0.000 2.134 498 R HA -0.174 4.166 4.340 -0.000 0.000 0.248 498 R C 2.719 179.022 176.300 0.005 0.000 1.143 498 R CA 1.557 57.663 56.100 0.011 0.000 0.957 498 R CB -0.988 29.304 30.300 -0.013 0.000 0.867 498 R HN 0.375 nan 8.270 nan 0.000 0.441 499 A N 1.911 124.741 122.820 0.016 0.000 1.896 499 A HA -0.280 4.040 4.320 -0.000 0.000 0.220 499 A C 2.102 179.689 177.584 0.005 0.000 1.206 499 A CA 2.024 54.069 52.037 0.013 0.000 0.647 499 A CB -0.598 18.418 19.000 0.025 0.000 0.828 499 A HN 0.469 nan 8.150 nan 0.000 0.455 500 E N -0.572 119.631 120.200 0.006 0.000 2.118 500 E HA -0.169 4.181 4.350 -0.000 0.000 0.195 500 E C 2.039 178.631 176.600 -0.013 0.000 0.992 500 E CA 1.210 57.607 56.400 -0.004 0.000 0.804 500 E CB -0.302 29.393 29.700 -0.008 0.000 0.741 500 E HN 0.669 nan 8.360 nan 0.000 0.458 501 L N 0.880 122.098 121.223 -0.009 0.000 1.988 501 L HA -0.174 4.166 4.340 -0.000 0.000 0.207 501 L C 2.800 179.653 176.870 -0.028 0.000 1.071 501 L CA 1.515 56.346 54.840 -0.014 0.000 0.744 501 L CB -0.547 41.512 42.059 -0.001 0.000 0.893 501 L HN 0.155 nan 8.230 nan 0.000 0.433 502 S N -1.203 114.482 115.700 -0.025 0.000 2.419 502 S HA -0.188 4.282 4.470 -0.000 0.000 0.233 502 S C 1.833 176.415 174.600 -0.030 0.000 1.016 502 S CA 0.860 59.042 58.200 -0.031 0.000 0.974 502 S CB -0.236 62.949 63.200 -0.026 0.000 0.786 502 S HN 0.389 nan 8.310 nan 0.000 0.492 503 Q N -0.046 119.740 119.800 -0.024 0.000 2.396 503 Q HA 0.389 4.729 4.340 -0.000 0.000 0.209 503 Q C 1.148 177.127 176.000 -0.035 0.000 0.906 503 Q CA 0.481 56.270 55.803 -0.024 0.000 0.927 503 Q CB 0.150 28.881 28.738 -0.011 0.000 1.069 503 Q HN 0.553 nan 8.270 nan 0.000 0.523 504 L N -2.535 118.663 121.223 -0.041 0.000 2.815 504 L HA 0.130 4.470 4.340 -0.000 0.000 0.241 504 L C 1.777 178.610 176.870 -0.062 0.000 1.047 504 L CA 0.433 55.241 54.840 -0.053 0.000 0.939 504 L CB -0.320 41.709 42.059 -0.050 0.000 1.490 504 L HN -0.022 nan 8.230 nan 0.000 0.510 505 C N 0.690 119.956 119.300 -0.058 0.000 2.485 505 C HA 0.451 4.911 4.460 -0.000 0.000 0.278 505 C C 1.676 176.609 174.990 -0.095 0.000 1.356 505 C CA -0.516 58.461 59.018 -0.068 0.000 1.747 505 C CB -0.797 26.916 27.740 -0.046 0.000 2.001 505 C HN 0.434 nan 8.230 nan 0.000 0.501 506 A N 1.196 123.961 122.820 -0.091 0.000 2.616 506 A HA 0.157 4.477 4.320 -0.000 0.000 0.234 506 A C 1.412 178.912 177.584 -0.139 0.000 1.024 506 A CA 0.543 52.509 52.037 -0.117 0.000 0.758 506 A CB 0.238 19.190 19.000 -0.080 0.000 0.939 506 A HN 0.363 nan 8.150 nan 0.000 0.510 507 V N 3.994 123.789 119.914 -0.198 0.000 2.324 507 V HA -0.212 3.908 4.120 -0.000 0.000 0.250 507 V C -0.299 175.723 176.094 -0.119 0.000 1.060 507 V CA 2.623 64.817 62.300 -0.178 0.000 1.042 507 V CB -1.649 30.060 31.823 -0.190 0.000 0.650 507 V HN 0.830 nan 8.190 nan 0.000 0.450 508 P HA -0.112 nan 4.420 nan 0.000 0.221 508 P C 1.745 179.017 177.300 -0.045 0.000 1.145 508 P CA 1.270 64.338 63.100 -0.053 0.000 0.795 508 P CB -0.033 31.650 31.700 -0.028 0.000 0.775 509 L N -1.191 119.995 121.223 -0.062 0.000 2.162 509 L HA -0.064 4.276 4.340 -0.000 0.000 0.205 509 L C 1.913 178.741 176.870 -0.070 0.000 1.086 509 L CA 0.940 55.745 54.840 -0.058 0.000 0.778 509 L CB -0.687 41.334 42.059 -0.062 0.000 0.928 509 L HN -0.128 nan 8.230 nan 0.000 0.446 510 Q N 0.188 119.932 119.800 -0.093 0.000 2.491 510 Q HA 0.041 4.381 4.340 -0.000 0.000 0.214 510 Q C 1.943 177.885 176.000 -0.097 0.000 0.970 510 Q CA 0.610 56.347 55.803 -0.110 0.000 0.960 510 Q CB -0.102 28.550 28.738 -0.144 0.000 0.996 510 Q HN 0.593 nan 8.270 nan 0.000 0.524 511 I N -0.800 119.732 120.570 -0.063 0.000 2.286 511 I HA -0.140 4.029 4.170 -0.000 0.000 0.248 511 I C 0.774 176.892 176.117 0.002 0.000 1.115 511 I CA 0.724 62.010 61.300 -0.023 0.000 1.392 511 I CB 0.190 38.211 38.000 0.035 0.000 1.065 511 I HN -0.108 nan 8.210 nan 0.000 0.418 512 V N 1.484 121.392 119.914 -0.010 0.000 2.328 512 V HA 0.145 4.265 4.120 -0.000 0.000 0.278 512 V C 0.176 176.239 176.094 -0.052 0.000 1.021 512 V CA -0.269 62.032 62.300 0.001 0.000 0.838 512 V CB 1.370 33.212 31.823 0.032 0.000 0.999 512 V HN 0.216 nan 8.190 nan 0.000 0.447 513 S N 8.689 124.348 115.700 -0.068 0.000 2.499 513 S HA 0.365 4.835 4.470 -0.000 0.000 0.275 513 S C -0.974 173.590 174.600 -0.061 0.000 1.257 513 S CA -1.175 56.966 58.200 -0.098 0.000 1.050 513 S CB 1.299 64.411 63.200 -0.147 0.000 0.937 513 S HN 0.673 nan 8.310 nan 0.000 0.490 514 P HA -0.111 nan 4.420 nan 0.000 0.230 514 P C 0.773 178.156 177.300 0.139 0.000 1.158 514 P CA 0.669 63.800 63.100 0.052 0.000 0.769 514 P CB -0.064 31.686 31.700 0.083 0.000 0.807 515 Q N 0.386 120.205 119.800 0.031 0.000 2.435 515 Q HA 0.029 4.369 4.340 -0.000 0.000 0.207 515 Q C 1.176 177.141 176.000 -0.058 0.000 0.956 515 Q CA 1.225 57.051 55.803 0.039 0.000 0.917 515 Q CB -0.289 28.381 28.738 -0.114 0.000 0.997 515 Q HN 0.208 nan 8.270 nan 0.000 0.497 516 S N -0.360 115.262 115.700 -0.129 0.000 3.067 516 S HA 0.100 4.570 4.470 -0.000 0.000 0.253 516 S C -0.357 174.159 174.600 -0.140 0.000 0.942 516 S CA -0.250 57.771 58.200 -0.299 0.000 1.197 516 S CB -0.721 62.350 63.200 -0.216 0.000 1.143 516 S HN 0.558 nan 8.310 nan 0.000 0.638 517 N N 2.218 120.883 118.700 -0.059 0.000 2.702 517 N HA -0.287 4.453 4.740 -0.000 0.000 0.261 517 N C -0.513 174.975 175.510 -0.037 0.000 0.965 517 N CA 1.782 54.836 53.050 0.006 0.000 0.795 517 N CB -1.881 36.649 38.487 0.072 0.000 0.909 517 N HN 0.985 nan 8.380 nan 0.000 0.546 518 K N -2.714 117.622 120.400 -0.106 0.000 2.587 518 K HA 0.490 4.810 4.320 -0.000 0.000 0.276 518 K C -3.309 173.205 176.600 -0.143 0.000 0.956 518 K CA -1.829 54.295 56.287 -0.271 0.000 0.857 518 K CB 2.177 34.551 32.500 -0.209 0.000 1.431 518 K HN -0.107 nan 8.250 nan 0.000 0.420 519 P HA -0.088 nan 4.420 nan 0.000 0.269 519 P C 0.606 177.898 177.300 -0.013 0.000 1.205 519 P CA -0.140 62.963 63.100 0.006 0.000 0.780 519 P CB 0.390 32.141 31.700 0.085 0.000 0.858 520 C N -0.606 118.690 119.300 -0.007 0.000 3.491 520 C HA 0.499 4.959 4.460 -0.000 0.000 0.298 520 C C 0.562 175.558 174.990 0.009 0.000 1.424 520 C CA -0.431 58.572 59.018 -0.025 0.000 1.772 520 C CB -0.909 26.774 27.740 -0.094 0.000 2.447 520 C HN 0.371 nan 8.230 nan 0.000 0.670 521 M N 1.462 121.091 119.600 0.048 0.000 2.395 521 M HA 0.656 5.136 4.480 -0.000 0.000 0.307 521 M C 0.343 176.797 176.300 0.256 0.000 1.091 521 M CA 0.320 55.663 55.300 0.072 0.000 0.919 521 M CB 2.225 34.771 32.600 -0.091 0.000 1.662 521 M HN 0.415 nan 8.290 nan 0.000 0.440 522 G N 2.591 111.569 108.800 0.297 0.000 3.187 522 G HA2 0.781 4.741 3.960 -0.000 0.000 0.175 522 G HA3 0.781 4.741 3.960 -0.000 0.000 0.175 522 G C -1.195 173.932 174.900 0.379 0.000 1.112 522 G CA -0.552 44.755 45.100 0.344 0.000 0.821 522 G HN 0.594 nan 8.290 nan 0.000 0.636 523 I N 0.822 121.500 120.570 0.180 0.000 2.509 523 I HA 0.569 4.739 4.170 -0.000 0.000 0.293 523 I C -0.514 175.665 176.117 0.104 0.000 1.020 523 I CA -0.806 60.583 61.300 0.149 0.000 1.088 523 I CB 2.002 40.039 38.000 0.061 0.000 1.267 523 I HN 0.154 nan 8.210 nan 0.000 0.430 524 V N 3.884 123.862 119.914 0.107 0.000 3.156 524 V HA 0.502 4.622 4.120 -0.000 0.000 0.311 524 V C 0.234 176.371 176.094 0.071 0.000 1.208 524 V CA -0.598 61.749 62.300 0.079 0.000 1.063 524 V CB 1.496 33.365 31.823 0.078 0.000 1.098 524 V HN 0.922 nan 8.190 nan 0.000 0.452 525 Q N -0.131 119.704 119.800 0.059 0.000 2.174 525 Q HA -0.361 3.979 4.340 -0.000 0.000 0.427 525 Q C 1.137 177.161 176.000 0.039 0.000 0.692 525 Q CA 2.318 58.156 55.803 0.059 0.000 0.909 525 Q CB -1.476 27.311 28.738 0.083 0.000 3.026 525 Q HN 0.973 nan 8.270 nan 0.000 0.891 526 D N 0.419 120.854 120.400 0.058 0.000 2.182 526 D HA -0.124 4.516 4.640 -0.000 0.000 0.193 526 D C 2.032 178.352 176.300 0.034 0.000 0.999 526 D CA 2.650 56.676 54.000 0.043 0.000 0.850 526 D CB -0.628 40.219 40.800 0.079 0.000 0.994 526 D HN 0.595 nan 8.370 nan 0.000 0.450 527 T N 0.671 115.265 114.554 0.066 0.000 2.721 527 T HA -0.220 4.130 4.350 -0.000 0.000 0.268 527 T C 1.825 176.540 174.700 0.025 0.000 1.038 527 T CA 1.225 63.362 62.100 0.062 0.000 1.145 527 T CB -0.390 68.530 68.868 0.087 0.000 0.858 527 T HN 0.072 nan 8.240 nan 0.000 0.459 528 L N 0.696 121.930 121.223 0.018 0.000 2.007 528 L HA 0.077 4.417 4.340 -0.000 0.000 0.205 528 L C 2.688 179.535 176.870 -0.040 0.000 1.073 528 L CA 1.438 56.275 54.840 -0.006 0.000 0.744 528 L CB -1.370 40.694 42.059 0.008 0.000 0.898 528 L HN 0.347 nan 8.230 nan 0.000 0.435 529 C N 0.532 119.792 119.300 -0.067 0.000 2.398 529 C HA -0.125 4.335 4.460 -0.000 0.000 0.276 529 C C 2.823 177.725 174.990 -0.146 0.000 1.222 529 C CA 1.150 60.074 59.018 -0.156 0.000 1.746 529 C CB -1.728 25.842 27.740 -0.283 0.000 2.039 529 C HN 0.774 nan 8.230 nan 0.000 0.470 530 G N -0.586 108.171 108.800 -0.071 0.000 2.422 530 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.218 530 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.218 530 G C 1.556 176.456 174.900 -0.001 0.000 1.140 530 G CA 0.792 45.932 45.100 0.067 0.000 0.775 530 G HN 0.636 nan 8.290 nan 0.000 0.545 531 I N -0.019 120.517 120.570 -0.056 0.000 2.756 531 I HA 0.006 4.176 4.170 -0.000 0.000 0.262 531 I C 2.653 178.685 176.117 -0.141 0.000 1.225 531 I CA 0.626 61.854 61.300 -0.121 0.000 1.472 531 I CB 0.001 37.947 38.000 -0.090 0.000 1.094 531 I HN 0.176 nan 8.210 nan 0.000 0.454 532 R N 0.764 121.204 120.500 -0.100 0.000 2.080 532 R HA -0.092 4.248 4.340 -0.000 0.000 0.222 532 R C 2.193 178.442 176.300 -0.085 0.000 1.107 532 R CA 0.832 56.882 56.100 -0.084 0.000 0.980 532 R CB -0.022 30.245 30.300 -0.055 0.000 0.879 532 R HN 0.209 nan 8.270 nan 0.000 0.439 533 K N 0.684 121.055 120.400 -0.048 0.000 1.985 533 K HA -0.171 4.149 4.320 -0.000 0.000 0.210 533 K C 2.080 178.577 176.600 -0.172 0.000 1.047 533 K CA 1.400 57.707 56.287 0.034 0.000 0.932 533 K CB -0.444 32.231 32.500 0.291 0.000 0.716 533 K HN 0.121 nan 8.250 nan 0.000 0.439 534 L N 1.726 122.592 121.223 -0.595 0.000 2.263 534 L HA -0.205 4.135 4.340 -0.000 0.000 0.216 534 L C 1.999 178.558 176.870 -0.518 0.000 1.111 534 L CA 1.763 55.976 54.840 -1.045 0.000 0.773 534 L CB -0.544 40.750 42.059 -1.276 0.000 0.906 534 L HN 0.171 nan 8.230 nan 0.000 0.439 535 T N -0.375 113.990 114.554 -0.315 0.000 2.643 535 T HA -0.000 4.350 4.350 -0.000 0.000 0.256 535 T C 0.823 175.424 174.700 -0.165 0.000 1.061 535 T CA 0.359 62.329 62.100 -0.216 0.000 1.163 535 T CB -0.327 68.450 68.868 -0.152 0.000 0.865 535 T HN 0.198 nan 8.240 nan 0.000 0.407 536 L N 1.909 123.071 121.223 -0.101 0.000 3.590 536 L HA -0.241 4.098 4.340 -0.000 0.000 0.446 536 L C 1.737 178.568 176.870 -0.065 0.000 1.201 536 L CA 0.168 54.979 54.840 -0.048 0.000 0.725 536 L CB 0.141 42.202 42.059 0.004 0.000 0.957 536 L HN 0.292 nan 8.230 nan 0.000 0.798 537 R N 1.372 121.860 120.500 -0.020 0.000 2.096 537 R HA -0.186 4.154 4.340 -0.000 0.000 0.235 537 R C 1.616 177.976 176.300 0.100 0.000 1.127 537 R CA 1.544 57.636 56.100 -0.013 0.000 0.968 537 R CB -0.272 30.060 30.300 0.053 0.000 0.861 537 R HN 0.701 nan 8.270 nan 0.000 0.440 538 D N 0.592 121.086 120.400 0.157 0.000 2.190 538 D HA -0.090 4.549 4.640 -0.000 0.000 0.200 538 D C -0.081 176.443 176.300 0.374 0.000 0.992 538 D CA 0.981 55.137 54.000 0.260 0.000 0.854 538 D CB -0.042 40.849 40.800 0.152 0.000 0.936 538 D HN 0.035 nan 8.370 nan 0.000 0.462 539 T N 0.694 115.354 114.554 0.177 0.000 2.779 539 T HA 0.310 4.660 4.350 -0.000 0.000 0.296 539 T C -0.354 174.369 174.700 0.038 0.000 0.938 539 T CA -0.050 62.150 62.100 0.166 0.000 1.119 539 T CB 0.240 69.118 68.868 0.016 0.000 0.891 539 T HN -0.134 nan 8.240 nan 0.000 0.526 540 F N 2.169 122.174 119.950 0.092 0.000 2.588 540 F HA 0.686 5.213 4.527 -0.000 0.000 0.314 540 F C -0.035 175.858 175.800 0.154 0.000 1.069 540 F CA -1.408 56.651 58.000 0.098 0.000 0.931 540 F CB 1.512 40.553 39.000 0.069 0.000 1.260 540 F HN 0.326 nan 8.300 nan 0.000 0.465 541 I N 1.338 122.120 120.570 0.353 0.000 2.619 541 I HA 0.333 4.503 4.170 -0.000 0.000 0.292 541 I C -0.970 175.393 176.117 0.410 0.000 1.100 541 I CA -0.867 60.625 61.300 0.320 0.000 1.043 541 I CB 2.404 40.547 38.000 0.238 0.000 1.239 541 I HN 0.608 nan 8.210 nan 0.000 0.420 542 E N 5.371 125.765 120.200 0.324 0.000 2.242 542 E HA 0.266 4.616 4.350 -0.000 0.000 0.275 542 E C 0.727 177.518 176.600 0.319 0.000 1.002 542 E CA -0.751 55.875 56.400 0.377 0.000 0.841 542 E CB 2.245 32.086 29.700 0.234 0.000 1.109 542 E HN 0.514 nan 8.360 nan 0.000 0.394 543 L N 2.939 124.467 121.223 0.509 0.000 2.179 543 L HA -0.435 3.905 4.340 -0.000 0.000 0.246 543 L C 2.005 178.879 176.870 0.006 0.000 1.120 543 L CA 3.160 58.116 54.840 0.194 0.000 0.846 543 L CB -0.912 41.334 42.059 0.312 0.000 0.958 543 L HN 0.987 nan 8.230 nan 0.000 0.444 544 D N -1.353 119.088 120.400 0.069 0.000 2.244 544 D HA -0.347 4.293 4.640 -0.000 0.000 0.197 544 D C 1.907 178.222 176.300 0.025 0.000 1.006 544 D CA 2.415 56.440 54.000 0.043 0.000 0.888 544 D CB -0.535 40.303 40.800 0.063 0.000 0.912 544 D HN 0.816 nan 8.370 nan 0.000 0.452 545 Q N -0.247 119.567 119.800 0.024 0.000 2.324 545 Q HA 0.056 4.396 4.340 -0.000 0.000 0.207 545 Q C 2.129 178.108 176.000 -0.036 0.000 0.928 545 Q CA 0.132 55.949 55.803 0.024 0.000 0.890 545 Q CB 0.494 29.248 28.738 0.026 0.000 1.001 545 Q HN 0.142 nan 8.270 nan 0.000 0.517 546 V N 1.604 121.431 119.914 -0.146 0.000 3.383 546 V HA -0.173 3.947 4.120 -0.000 0.000 0.272 546 V C 1.874 177.723 176.094 -0.409 0.000 1.181 546 V CA 1.014 63.111 62.300 -0.340 0.000 1.171 546 V CB -0.342 31.055 31.823 -0.709 0.000 0.800 546 V HN 0.394 nan 8.190 nan 0.000 0.515 547 L N -0.704 120.355 121.223 -0.273 0.000 2.253 547 L HA 0.080 4.420 4.340 -0.000 0.000 0.205 547 L C 2.213 178.989 176.870 -0.157 0.000 1.078 547 L CA 0.672 55.361 54.840 -0.252 0.000 0.805 547 L CB -0.374 41.598 42.059 -0.146 0.000 0.963 547 L HN 0.324 nan 8.230 nan 0.000 0.459 548 N N 0.106 118.774 118.700 -0.052 0.000 2.270 548 N HA -0.073 4.667 4.740 -0.000 0.000 0.181 548 N C 1.852 177.305 175.510 -0.095 0.000 1.016 548 N CA 1.112 54.157 53.050 -0.008 0.000 0.870 548 N CB 0.056 38.588 38.487 0.075 0.000 0.979 548 N HN 0.312 nan 8.380 nan 0.000 0.431 549 M N 0.280 119.861 119.600 -0.031 0.000 2.175 549 M HA -0.043 4.437 4.480 -0.000 0.000 0.264 549 M C 1.951 178.168 176.300 -0.139 0.000 1.063 549 M CA 1.045 56.325 55.300 -0.032 0.000 1.119 549 M CB -0.177 32.425 32.600 0.004 0.000 1.377 549 M HN 0.055 nan 8.290 nan 0.000 0.415 550 L N -1.456 119.560 121.223 -0.346 0.000 2.093 550 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 550 L C 2.460 179.110 176.870 -0.367 0.000 1.085 550 L CA 1.055 55.477 54.840 -0.695 0.000 0.755 550 L CB -0.729 40.474 42.059 -1.427 0.000 0.904 550 L HN 0.262 nan 8.230 nan 0.000 0.435 551 Y N -1.097 119.054 120.300 -0.247 0.000 2.497 551 Y HA -0.207 4.343 4.550 -0.000 0.000 0.292 551 Y C 1.811 177.772 175.900 0.102 0.000 1.137 551 Y CA 0.582 58.690 58.100 0.014 0.000 1.285 551 Y CB -0.206 38.283 38.460 0.049 0.000 0.991 551 Y HN 0.120 nan 8.280 nan 0.000 0.556 552 W N -0.495 120.642 121.300 -0.272 0.000 2.658 552 W HA 0.166 4.826 4.660 -0.000 0.000 0.263 552 W C 0.318 176.717 176.519 -0.200 0.000 1.274 552 W CA 0.398 57.555 57.345 -0.314 0.000 1.343 552 W CB -0.313 28.953 29.460 -0.324 0.000 1.106 552 W HN -0.389 nan 8.180 nan 0.000 0.615 553 V N 4.942 124.885 119.914 0.049 0.000 2.370 553 V HA 0.014 4.134 4.120 -0.000 0.000 0.257 553 V C -0.738 175.379 176.094 0.039 0.000 1.064 553 V CA -0.931 61.397 62.300 0.046 0.000 0.975 553 V CB 0.598 32.460 31.823 0.065 0.000 1.067 553 V HN -0.093 nan 8.190 nan 0.000 0.485 554 P HA -0.177 nan 4.420 nan 0.000 0.218 554 P C 0.534 177.845 177.300 0.018 0.000 1.146 554 P CA 1.348 64.409 63.100 -0.066 0.000 0.820 554 P CB 0.404 32.044 31.700 -0.100 0.000 0.778 555 D N -2.203 118.234 120.400 0.062 0.000 2.388 555 D HA 0.005 4.645 4.640 -0.000 0.000 0.221 555 D C 0.214 176.594 176.300 0.133 0.000 1.133 555 D CA -0.350 53.692 54.000 0.070 0.000 0.831 555 D CB -0.268 40.561 40.800 0.049 0.000 0.962 555 D HN 0.195 nan 8.370 nan 0.000 0.502 556 W N 4.308 125.603 121.300 -0.007 0.000 2.322 556 W HA -0.025 4.635 4.660 -0.000 0.000 0.328 556 W C 1.151 177.680 176.519 0.018 0.000 1.395 556 W CA -0.785 56.566 57.345 0.010 0.000 1.267 556 W CB 0.577 30.053 29.460 0.027 0.000 1.259 556 W HN -0.026 nan 8.180 nan 0.000 0.560 557 D N 3.619 123.727 120.400 -0.487 0.000 2.392 557 D HA -0.035 4.605 4.640 -0.000 0.000 0.228 557 D C 1.509 177.275 176.300 -0.890 0.000 1.003 557 D CA 0.842 54.527 54.000 -0.524 0.000 0.917 557 D CB -0.509 40.126 40.800 -0.274 0.000 0.890 557 D HN 0.792 nan 8.370 nan 0.000 0.532 558 G N -0.193 107.397 108.800 -2.017 0.000 2.147 558 G HA2 -0.233 3.726 3.960 -0.000 0.000 0.244 558 G HA3 -0.233 3.726 3.960 -0.000 0.000 0.244 558 G C 0.006 174.267 174.900 -1.064 0.000 1.005 558 G CA 0.157 44.063 45.100 -1.990 0.000 0.713 558 G HN 0.383 nan 8.290 nan 0.000 0.515 559 V N 2.575 122.078 119.914 -0.684 0.000 2.305 559 V HA 0.362 4.482 4.120 -0.000 0.000 0.275 559 V C 0.936 177.331 176.094 0.502 0.000 1.020 559 V CA -0.873 61.452 62.300 0.042 0.000 0.811 559 V CB 1.072 32.892 31.823 -0.004 0.000 1.031 559 V HN 0.439 nan 8.190 nan 0.000 0.439 560 I N 5.172 126.068 120.570 0.543 0.000 2.691 560 I HA 0.197 4.367 4.170 -0.000 0.000 0.288 560 I C -1.437 174.840 176.117 0.266 0.000 1.143 560 I CA -1.176 60.344 61.300 0.367 0.000 1.364 560 I CB -0.240 37.905 38.000 0.241 0.000 1.435 560 I HN 0.372 nan 8.210 nan 0.000 0.551 561 P HA 0.038 nan 4.420 nan 0.000 0.266 561 P C -0.108 177.425 177.300 0.388 0.000 1.195 561 P CA -0.074 63.178 63.100 0.254 0.000 0.768 561 P CB 0.404 32.228 31.700 0.207 0.000 0.838 562 T N 3.192 117.915 114.554 0.281 0.000 2.871 562 T HA 0.137 4.487 4.350 -0.000 0.000 0.296 562 T C -2.120 172.690 174.700 0.183 0.000 0.998 562 T CA -0.973 61.269 62.100 0.235 0.000 1.162 562 T CB -0.964 67.974 68.868 0.116 0.000 0.947 562 T HN 0.341 nan 8.240 nan 0.000 0.536 563 P HA 0.126 nan 4.420 nan 0.000 0.265 563 P C 0.502 177.595 177.300 -0.344 0.000 1.187 563 P CA -0.111 62.550 63.100 -0.731 0.000 0.766 563 P CB 0.319 31.463 31.700 -0.927 0.000 0.820 564 A N 3.874 126.505 122.820 -0.315 0.000 2.066 564 A HA 0.034 4.354 4.320 -0.000 0.000 0.218 564 A C 0.892 178.420 177.584 -0.094 0.000 1.157 564 A CA 1.117 53.086 52.037 -0.115 0.000 0.670 564 A CB -0.459 18.506 19.000 -0.057 0.000 0.804 564 A HN 0.530 nan 8.150 nan 0.000 0.453 565 I N -0.119 120.346 120.570 -0.176 0.000 2.478 565 I HA 0.317 4.487 4.170 -0.000 0.000 0.287 565 I C -0.172 175.824 176.117 -0.202 0.000 1.042 565 I CA -0.262 60.964 61.300 -0.124 0.000 1.067 565 I CB 2.034 40.004 38.000 -0.051 0.000 1.233 565 I HN 0.147 nan 8.210 nan 0.000 0.431 566 I N 5.149 125.638 120.570 -0.136 0.000 4.327 566 I HA 0.052 4.222 4.170 -0.000 0.000 0.331 566 I C 1.612 177.681 176.117 -0.080 0.000 1.348 566 I CA -0.240 60.986 61.300 -0.123 0.000 1.152 566 I CB -0.124 37.822 38.000 -0.090 0.000 1.151 566 I HN 0.515 nan 8.210 nan 0.000 0.410 567 K N 3.015 123.374 120.400 -0.069 0.000 2.011 567 K HA 0.022 4.342 4.320 -0.000 0.000 0.215 567 K C -0.783 175.787 176.600 -0.049 0.000 0.978 567 K CA 0.569 56.825 56.287 -0.051 0.000 1.028 567 K CB -2.264 30.207 32.500 -0.049 0.000 0.968 567 K HN -0.059 nan 8.250 nan 0.000 0.511 568 P HA -0.173 nan 4.420 nan 0.000 0.213 568 P C -0.134 177.142 177.300 -0.040 0.000 1.170 568 P CA 1.515 64.591 63.100 -0.040 0.000 0.898 568 P CB 0.098 31.773 31.700 -0.041 0.000 0.787 569 K N 0.835 121.203 120.400 -0.054 0.000 2.358 569 K HA 0.320 4.640 4.320 -0.000 0.000 0.260 569 K C -2.577 173.965 176.600 -0.096 0.000 0.956 569 K CA -2.699 53.559 56.287 -0.048 0.000 0.834 569 K CB 1.843 34.326 32.500 -0.029 0.000 1.102 569 K HN -0.087 nan 8.250 nan 0.000 0.431 570 P HA 0.014 nan 4.420 nan 0.000 0.264 570 P C -1.056 175.963 177.300 -0.468 0.000 1.229 570 P CA -0.175 62.740 63.100 -0.308 0.000 0.780 570 P CB 0.570 32.127 31.700 -0.238 0.000 0.808 571 L N 4.608 125.515 121.223 -0.526 0.000 2.279 571 L HA 0.653 4.993 4.340 -0.000 0.000 0.262 571 L C -0.033 176.504 176.870 -0.556 0.000 1.019 571 L CA -0.497 54.166 54.840 -0.296 0.000 0.823 571 L CB 1.305 43.416 42.059 0.087 0.000 1.358 571 L HN 0.424 nan 8.230 nan 0.000 0.432 572 W N -0.374 121.001 121.300 0.126 0.000 3.031 572 W HA 0.599 5.259 4.660 -0.000 0.000 0.337 572 W C -0.466 175.984 176.519 -0.115 0.000 1.187 572 W CA -0.683 56.668 57.345 0.010 0.000 1.166 572 W CB 2.107 31.558 29.460 -0.015 0.000 1.437 572 W HN 0.520 nan 8.180 nan 0.000 0.551 573 S N -0.478 115.181 115.700 -0.068 0.000 2.681 573 S HA 0.619 5.089 4.470 -0.000 0.000 0.299 573 S C 0.805 175.275 174.600 -0.216 0.000 1.113 573 S CA 0.059 58.037 58.200 -0.370 0.000 1.013 573 S CB 1.816 64.670 63.200 -0.578 0.000 1.076 573 S HN 0.622 nan 8.310 nan 0.000 0.534 574 G N 1.404 110.028 108.800 -0.293 0.000 2.511 574 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.216 574 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.216 574 G C 1.141 175.894 174.900 -0.245 0.000 1.218 574 G CA 0.891 45.794 45.100 -0.330 0.000 0.788 574 G HN 0.824 nan 8.290 nan 0.000 0.560 575 K N 0.073 120.342 120.400 -0.218 0.000 2.207 575 K HA -0.240 4.080 4.320 -0.000 0.000 0.208 575 K C 2.552 179.084 176.600 -0.114 0.000 1.046 575 K CA 1.578 57.772 56.287 -0.156 0.000 0.929 575 K CB -0.194 32.229 32.500 -0.129 0.000 0.720 575 K HN 0.413 nan 8.250 nan 0.000 0.463 576 Q N 0.477 120.217 119.800 -0.100 0.000 2.016 576 Q HA -0.144 4.196 4.340 -0.000 0.000 0.200 576 Q C 2.309 178.294 176.000 -0.026 0.000 0.978 576 Q CA 1.766 57.553 55.803 -0.028 0.000 0.833 576 Q CB -0.035 28.729 28.738 0.042 0.000 0.895 576 Q HN 0.529 nan 8.270 nan 0.000 0.427 577 I N -2.230 118.299 120.570 -0.069 0.000 2.480 577 I HA -0.099 4.071 4.170 -0.000 0.000 0.251 577 I C 2.230 178.284 176.117 -0.105 0.000 1.124 577 I CA 0.395 61.634 61.300 -0.102 0.000 1.444 577 I CB -0.418 37.485 38.000 -0.162 0.000 1.098 577 I HN 0.066 nan 8.210 nan 0.000 0.428 578 L N 1.583 122.726 121.223 -0.133 0.000 2.137 578 L HA -0.223 4.117 4.340 -0.000 0.000 0.213 578 L C 2.407 179.227 176.870 -0.083 0.000 1.085 578 L CA 1.907 56.673 54.840 -0.124 0.000 0.760 578 L CB -0.603 41.362 42.059 -0.158 0.000 0.893 578 L HN 0.284 nan 8.230 nan 0.000 0.434 579 S N -1.383 114.275 115.700 -0.069 0.000 2.442 579 S HA -0.121 4.349 4.470 -0.000 0.000 0.236 579 S C 1.856 176.448 174.600 -0.013 0.000 1.007 579 S CA 1.178 59.353 58.200 -0.042 0.000 0.965 579 S CB -0.355 62.828 63.200 -0.029 0.000 0.773 579 S HN 0.406 nan 8.310 nan 0.000 0.504 580 V N 1.709 121.618 119.914 -0.009 0.000 2.594 580 V HA -0.161 3.959 4.120 -0.000 0.000 0.253 580 V C 2.484 178.602 176.094 0.040 0.000 1.069 580 V CA 1.504 63.824 62.300 0.034 0.000 1.082 580 V CB -1.220 30.610 31.823 0.010 0.000 0.680 580 V HN 0.540 nan 8.190 nan 0.000 0.469 581 A N 0.011 122.834 122.820 0.006 0.000 1.898 581 A HA 0.105 4.425 4.320 -0.000 0.000 0.214 581 A C 1.275 178.859 177.584 -0.000 0.000 1.183 581 A CA 0.499 52.540 52.037 0.007 0.000 0.622 581 A CB -0.354 18.638 19.000 -0.014 0.000 0.824 581 A HN 0.492 nan 8.150 nan 0.000 0.444 582 I N 3.195 123.755 120.570 -0.016 0.000 2.576 582 I HA 0.063 4.233 4.170 -0.000 0.000 0.288 582 I C -1.867 174.250 176.117 0.001 0.000 1.126 582 I CA -1.497 59.791 61.300 -0.020 0.000 1.362 582 I CB 0.242 38.221 38.000 -0.035 0.000 1.419 582 I HN 0.237 nan 8.210 nan 0.000 0.533 583 P HA -0.031 nan 4.420 nan 0.000 0.270 583 P C -0.688 176.623 177.300 0.019 0.000 1.227 583 P CA -0.142 62.969 63.100 0.019 0.000 0.788 583 P CB 0.489 32.202 31.700 0.020 0.000 0.926 584 N N -0.146 118.568 118.700 0.024 0.000 2.444 584 N HA 0.201 4.941 4.740 -0.000 0.000 0.255 584 N C 1.564 177.093 175.510 0.032 0.000 1.255 584 N CA 0.816 53.881 53.050 0.025 0.000 0.933 584 N CB 0.060 38.562 38.487 0.025 0.000 1.143 584 N HN 0.809 nan 8.380 nan 0.000 0.453 585 G N -0.169 108.655 108.800 0.039 0.000 2.299 585 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.237 585 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.237 585 G C 0.218 175.169 174.900 0.085 0.000 1.027 585 G CA -0.339 44.797 45.100 0.060 0.000 0.619 585 G HN 0.509 nan 8.290 nan 0.000 0.513 586 I N 2.231 122.836 120.570 0.058 0.000 2.752 586 I HA 0.225 4.395 4.170 -0.000 0.000 0.289 586 I C 0.435 176.604 176.117 0.086 0.000 1.197 586 I CA 0.477 61.815 61.300 0.062 0.000 1.432 586 I CB 0.386 38.398 38.000 0.021 0.000 1.359 586 I HN 0.274 nan 8.210 nan 0.000 0.571 587 H N 7.074 126.155 119.070 0.019 0.000 2.759 587 H HA 0.588 5.144 4.556 -0.000 0.000 0.354 587 H C -1.734 173.605 175.328 0.018 0.000 1.074 587 H CA -0.722 55.340 56.048 0.025 0.000 1.226 587 H CB 2.017 31.804 29.762 0.041 0.000 1.648 587 H HN 0.430 nan 8.280 nan 0.000 0.529 588 L N 3.780 125.113 121.223 0.183 0.000 2.455 588 L HA 0.396 4.736 4.340 -0.000 0.000 0.264 588 L C -1.359 175.591 176.870 0.134 0.000 0.968 588 L CA -0.282 54.644 54.840 0.144 0.000 0.827 588 L CB 2.156 44.231 42.059 0.028 0.000 1.317 588 L HN 0.644 nan 8.230 nan 0.000 0.407 589 Q N 3.851 123.746 119.800 0.159 0.000 2.323 589 Q HA 0.488 4.828 4.340 -0.000 0.000 0.271 589 Q C -0.629 175.491 176.000 0.200 0.000 1.048 589 Q CA -0.583 55.341 55.803 0.202 0.000 0.792 589 Q CB 3.309 32.210 28.738 0.271 0.000 1.280 589 Q HN 0.727 nan 8.270 nan 0.000 0.441 590 R N 1.546 122.201 120.500 0.258 0.000 1.895 590 R HA 0.385 4.725 4.340 -0.000 0.000 0.129 590 R C -0.873 175.734 176.300 0.513 0.000 2.021 590 R CA 0.107 56.353 56.100 0.243 0.000 1.709 590 R CB 0.778 31.107 30.300 0.048 0.000 1.397 590 R HN 0.572 nan 8.270 nan 0.000 0.484 591 F N 1.542 121.522 119.950 0.050 0.000 2.183 591 F HA -0.184 4.343 4.527 -0.000 0.000 0.515 591 F C 0.109 175.935 175.800 0.044 0.000 1.279 591 F CA 0.111 58.156 58.000 0.075 0.000 1.650 591 F CB -1.081 37.963 39.000 0.073 0.000 2.628 591 F HN 0.428 nan 8.300 nan 0.000 0.728 592 D N 1.769 122.251 120.400 0.138 0.000 2.130 592 D HA 0.074 4.714 4.640 -0.000 0.000 0.292 592 D C 1.545 177.900 176.300 0.092 0.000 1.146 592 D CA 0.715 54.769 54.000 0.090 0.000 0.883 592 D CB 0.204 41.033 40.800 0.047 0.000 0.936 592 D HN 0.648 nan 8.370 nan 0.000 0.298 593 E N 0.124 120.362 120.200 0.062 0.000 2.156 593 E HA 0.187 4.537 4.350 -0.000 0.000 0.225 593 E C 0.955 177.593 176.600 0.062 0.000 0.906 593 E CA -0.141 56.293 56.400 0.055 0.000 0.988 593 E CB -0.362 29.359 29.700 0.034 0.000 1.151 593 E HN 0.193 nan 8.360 nan 0.000 0.504 594 G N 1.855 110.680 108.800 0.041 0.000 2.716 594 G HA2 0.157 4.117 3.960 -0.000 0.000 0.296 594 G HA3 0.157 4.117 3.960 -0.000 0.000 0.296 594 G C -0.704 174.209 174.900 0.021 0.000 0.811 594 G CA 0.099 45.219 45.100 0.033 0.000 1.758 594 G HN -0.012 nan 8.290 nan 0.000 0.512 595 T N 0.862 115.439 114.554 0.039 0.000 2.848 595 T HA 0.581 4.931 4.350 -0.000 0.000 0.285 595 T C 0.324 175.013 174.700 -0.018 0.000 0.995 595 T CA -0.491 61.583 62.100 -0.043 0.000 0.970 595 T CB 1.746 70.549 68.868 -0.108 0.000 0.976 595 T HN 0.487 nan 8.240 nan 0.000 0.441 596 T N 0.649 115.128 114.554 -0.124 0.000 4.076 596 T HA 0.309 4.659 4.350 -0.000 0.000 0.222 596 T C 0.573 175.185 174.700 -0.146 0.000 1.008 596 T CA -0.659 61.413 62.100 -0.047 0.000 1.486 596 T CB -0.705 68.149 68.868 -0.023 0.000 0.828 596 T HN 0.386 nan 8.240 nan 0.000 0.625 597 L N -0.181 120.898 121.223 -0.241 0.000 4.552 597 L HA -0.192 4.148 4.340 -0.000 0.000 0.443 597 L C 0.850 177.436 176.870 -0.473 0.000 1.104 597 L CA 1.535 56.190 54.840 -0.308 0.000 0.959 597 L CB -1.103 40.933 42.059 -0.039 0.000 1.818 597 L HN 0.764 nan 8.230 nan 0.000 1.030 598 L N -0.724 120.219 121.223 -0.466 0.000 3.443 598 L HA 0.171 4.511 4.340 -0.000 0.000 0.358 598 L C 0.708 177.391 176.870 -0.312 0.000 1.338 598 L CA 0.183 54.797 54.840 -0.376 0.000 0.905 598 L CB 0.400 42.340 42.059 -0.200 0.000 1.317 598 L HN 0.232 nan 8.230 nan 0.000 0.602 599 S N 0.486 115.945 115.700 -0.400 0.000 3.897 599 S HA -0.045 4.425 4.470 -0.000 0.000 0.466 599 S C -1.100 173.433 174.600 -0.113 0.000 1.095 599 S CA -0.472 57.606 58.200 -0.203 0.000 1.179 599 S CB -0.216 62.919 63.200 -0.109 0.000 0.777 599 S HN 0.393 nan 8.310 nan 0.000 0.521 600 P HA -0.152 nan 4.420 nan 0.000 0.210 600 P C 0.824 178.114 177.300 -0.016 0.000 1.189 600 P CA 1.294 64.370 63.100 -0.040 0.000 0.920 600 P CB 0.016 31.700 31.700 -0.027 0.000 0.782 601 K N -0.416 119.981 120.400 -0.005 0.000 2.643 601 K HA -0.084 4.236 4.320 -0.000 0.000 0.193 601 K C 0.131 176.742 176.600 0.019 0.000 1.027 601 K CA 0.502 56.795 56.287 0.010 0.000 1.033 601 K CB -0.896 31.612 32.500 0.014 0.000 0.827 601 K HN 0.085 nan 8.250 nan 0.000 0.500 602 D N 0.876 121.288 120.400 0.020 0.000 2.689 602 D HA -0.161 4.479 4.640 -0.000 0.000 0.237 602 D C -0.357 175.981 176.300 0.064 0.000 1.148 602 D CA 0.449 54.482 54.000 0.055 0.000 0.656 602 D CB -0.964 39.861 40.800 0.042 0.000 1.050 602 D HN 0.231 nan 8.370 nan 0.000 0.426 603 N N -0.188 118.548 118.700 0.060 0.000 2.460 603 N HA 0.569 5.309 4.740 -0.000 0.000 0.296 603 N C 1.522 177.062 175.510 0.049 0.000 1.319 603 N CA 0.367 53.442 53.050 0.041 0.000 0.945 603 N CB -0.659 37.844 38.487 0.027 0.000 1.096 603 N HN 0.431 nan 8.380 nan 0.000 0.538 604 G N 0.240 109.043 108.800 0.005 0.000 2.566 604 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.308 604 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.308 604 G C -0.283 174.502 174.900 -0.192 0.000 1.317 604 G CA 1.068 46.132 45.100 -0.060 0.000 0.930 604 G HN 0.709 nan 8.290 nan 0.000 0.547 605 M N -1.838 117.513 119.600 -0.415 0.000 2.447 605 M HA 0.637 5.117 4.480 -0.000 0.000 0.292 605 M C -2.169 173.741 176.300 -0.650 0.000 1.083 605 M CA -0.601 54.358 55.300 -0.568 0.000 0.907 605 M CB 1.588 34.032 32.600 -0.259 0.000 1.829 605 M HN 1.894 nan 8.290 nan 0.000 0.518 606 L N 6.451 127.168 121.223 -0.843 0.000 2.541 606 L HA 0.803 5.143 4.340 -0.000 0.000 0.266 606 L C -2.185 174.495 176.870 -0.316 0.000 0.966 606 L CA -0.161 54.390 54.840 -0.483 0.000 0.871 606 L CB 1.571 43.381 42.059 -0.415 0.000 1.232 606 L HN 0.747 nan 8.230 nan 0.000 0.408 607 I N 6.008 126.453 120.570 -0.208 0.000 2.389 607 I HA 0.511 4.681 4.170 -0.000 0.000 0.288 607 I C -0.498 175.471 176.117 -0.247 0.000 0.999 607 I CA -0.548 60.648 61.300 -0.174 0.000 1.129 607 I CB 1.669 39.593 38.000 -0.126 0.000 1.288 607 I HN 0.486 nan 8.210 nan 0.000 0.444 608 I N 4.715 125.150 120.570 -0.224 0.000 2.530 608 I HA 0.234 4.404 4.170 -0.000 0.000 0.297 608 I C 0.441 176.478 176.117 -0.133 0.000 1.011 608 I CA -0.281 60.830 61.300 -0.315 0.000 1.107 608 I CB 1.768 39.619 38.000 -0.248 0.000 1.285 608 I HN 0.696 nan 8.210 nan 0.000 0.436 609 D N 4.121 124.470 120.400 -0.085 0.000 3.059 609 D HA -0.231 4.409 4.640 -0.000 0.000 0.222 609 D C 0.899 177.197 176.300 -0.004 0.000 1.185 609 D CA 1.877 55.875 54.000 -0.003 0.000 0.904 609 D CB -0.619 40.194 40.800 0.022 0.000 1.122 609 D HN 1.152 nan 8.370 nan 0.000 0.410 610 G N -1.641 107.142 108.800 -0.028 0.000 2.134 610 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.209 610 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.209 610 G C -0.295 174.590 174.900 -0.024 0.000 0.993 610 G CA 0.254 45.343 45.100 -0.019 0.000 0.669 610 G HN 0.440 nan 8.290 nan 0.000 0.519 611 Q N 0.051 119.830 119.800 -0.035 0.000 2.331 611 Q HA 0.525 4.865 4.340 -0.000 0.000 0.267 611 Q C 0.524 176.493 176.000 -0.051 0.000 1.006 611 Q CA -0.769 55.018 55.803 -0.027 0.000 0.818 611 Q CB 1.720 30.456 28.738 -0.005 0.000 1.276 611 Q HN 0.466 nan 8.270 nan 0.000 0.450 612 I N 3.833 124.368 120.570 -0.059 0.000 2.581 612 I HA -0.072 4.098 4.170 -0.000 0.000 0.285 612 I C 1.308 177.396 176.117 -0.048 0.000 1.129 612 I CA 0.353 61.603 61.300 -0.082 0.000 1.397 612 I CB 0.340 38.283 38.000 -0.094 0.000 1.399 612 I HN 0.600 nan 8.210 nan 0.000 0.537 613 I N 7.235 127.779 120.570 -0.044 0.000 3.035 613 I HA 0.057 4.227 4.170 -0.000 0.000 0.271 613 I C 0.147 176.391 176.117 0.210 0.000 1.190 613 I CA 0.534 61.877 61.300 0.072 0.000 1.472 613 I CB 0.148 38.224 38.000 0.127 0.000 1.116 613 I HN 0.580 nan 8.210 nan 0.000 0.443 614 F N -0.494 119.413 119.950 -0.071 0.000 2.843 614 F HA 0.600 5.127 4.527 -0.000 0.000 0.323 614 F C -0.632 175.116 175.800 -0.086 0.000 1.142 614 F CA -0.595 57.358 58.000 -0.080 0.000 0.925 614 F CB 0.060 39.011 39.000 -0.082 0.000 1.277 614 F HN -0.009 nan 8.300 nan 0.000 0.446 615 G N 0.799 109.681 108.800 0.136 0.000 2.663 615 G HA2 0.369 4.329 3.960 -0.000 0.000 0.686 615 G HA3 0.369 4.329 3.960 -0.000 0.000 0.686 615 G C -1.677 173.190 174.900 -0.056 0.000 1.246 615 G CA -0.627 44.475 45.100 0.002 0.000 0.795 615 G HN 1.565 nan 8.290 nan 0.000 0.627 616 V N 0.113 120.000 119.914 -0.045 0.000 2.607 616 V HA 0.575 4.695 4.120 -0.000 0.000 0.289 616 V C 1.011 177.059 176.094 -0.077 0.000 1.053 616 V CA -0.782 61.484 62.300 -0.058 0.000 0.996 616 V CB 1.564 33.367 31.823 -0.034 0.000 0.995 616 V HN 0.941 nan 8.190 nan 0.000 0.476 617 V N 4.712 124.573 119.914 -0.089 0.000 2.383 617 V HA 0.640 4.760 4.120 -0.000 0.000 0.275 617 V C -0.033 176.019 176.094 -0.071 0.000 1.036 617 V CA -0.105 62.142 62.300 -0.089 0.000 0.889 617 V CB 0.722 32.481 31.823 -0.107 0.000 0.985 617 V HN 1.199 nan 8.190 nan 0.000 0.459 618 E N 2.628 122.795 120.200 -0.054 0.000 2.343 618 E HA 0.340 4.690 4.350 -0.000 0.000 0.257 618 E C 0.615 177.201 176.600 -0.024 0.000 1.079 618 E CA -0.914 55.464 56.400 -0.038 0.000 0.891 618 E CB 0.453 30.136 29.700 -0.028 0.000 1.732 618 E HN 0.103 nan 8.360 nan 0.000 0.465 619 K N 0.190 120.584 120.400 -0.010 0.000 2.184 619 K HA -0.315 4.005 4.320 -0.000 0.000 0.210 619 K C 1.170 177.771 176.600 0.002 0.000 1.048 619 K CA 2.498 58.786 56.287 0.002 0.000 0.931 619 K CB -0.203 32.304 32.500 0.012 0.000 0.718 619 K HN 0.425 nan 8.250 nan 0.000 0.465 620 K N -1.397 119.001 120.400 -0.004 0.000 2.305 620 K HA 0.010 4.330 4.320 -0.000 0.000 0.199 620 K C 1.437 178.031 176.600 -0.008 0.000 1.047 620 K CA 1.337 57.623 56.287 -0.002 0.000 0.976 620 K CB 0.372 32.872 32.500 -0.001 0.000 0.765 620 K HN 0.083 nan 8.250 nan 0.000 0.474 621 T N -0.397 114.143 114.554 -0.023 0.000 3.023 621 T HA 0.120 4.470 4.350 -0.000 0.000 0.253 621 T C 1.011 175.685 174.700 -0.043 0.000 1.038 621 T CA 0.053 62.132 62.100 -0.035 0.000 0.962 621 T CB 0.762 69.595 68.868 -0.059 0.000 1.018 621 T HN -0.078 nan 8.240 nan 0.000 0.521 622 V N 0.878 120.768 119.914 -0.039 0.000 3.415 622 V HA 0.444 4.564 4.120 -0.000 0.000 0.315 622 V C 0.896 176.972 176.094 -0.031 0.000 1.516 622 V CA -0.061 62.204 62.300 -0.059 0.000 1.122 622 V CB 0.670 32.446 31.823 -0.079 0.000 0.988 622 V HN 0.476 nan 8.190 nan 0.000 0.474 623 G N 0.159 108.959 108.800 0.001 0.000 2.671 623 G HA2 0.369 4.329 3.960 -0.000 0.000 0.275 623 G HA3 0.369 4.329 3.960 -0.000 0.000 0.275 623 G C 0.720 175.650 174.900 0.049 0.000 1.368 623 G CA 0.459 45.579 45.100 0.033 0.000 1.044 623 G HN 0.435 nan 8.290 nan 0.000 0.543 624 S N -0.284 115.453 115.700 0.061 0.000 2.942 624 S HA 0.199 4.669 4.470 -0.000 0.000 0.244 624 S C 1.129 175.740 174.600 0.019 0.000 1.011 624 S CA 0.135 58.368 58.200 0.055 0.000 1.102 624 S CB -1.011 62.222 63.200 0.055 0.000 0.812 624 S HN 0.876 nan 8.310 nan 0.000 0.486 625 S N 1.153 116.862 115.700 0.015 0.000 2.626 625 S HA 0.234 4.704 4.470 -0.000 0.000 0.257 625 S C 1.101 175.677 174.600 -0.040 0.000 1.288 625 S CA -0.594 57.604 58.200 -0.002 0.000 0.980 625 S CB 0.336 63.541 63.200 0.007 0.000 0.975 625 S HN 0.333 nan 8.310 nan 0.000 0.577 626 N N 1.163 119.837 118.700 -0.044 0.000 2.054 626 N HA -0.016 4.724 4.740 -0.000 0.000 0.193 626 N C 1.639 177.135 175.510 -0.025 0.000 1.066 626 N CA 1.587 54.577 53.050 -0.099 0.000 0.853 626 N CB -1.142 37.322 38.487 -0.038 0.000 1.048 626 N HN 0.855 nan 8.380 nan 0.000 0.431 627 G N 0.425 109.270 108.800 0.076 0.000 3.279 627 G HA2 0.234 4.194 3.960 -0.000 0.000 0.230 627 G HA3 0.234 4.194 3.960 -0.000 0.000 0.230 627 G C 0.658 175.636 174.900 0.130 0.000 1.230 627 G CA 0.096 45.294 45.100 0.163 0.000 0.891 627 G HN 0.423 nan 8.290 nan 0.000 0.518 628 G N -0.574 108.291 108.800 0.108 0.000 2.771 628 G HA2 0.092 4.052 3.960 -0.000 0.000 0.242 628 G HA3 0.092 4.052 3.960 -0.000 0.000 0.242 628 G C 1.111 176.051 174.900 0.067 0.000 1.233 628 G CA -0.547 44.595 45.100 0.071 0.000 0.858 628 G HN 0.201 nan 8.290 nan 0.000 0.591 629 L N 0.299 121.530 121.223 0.013 0.000 2.046 629 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 629 L C 2.769 179.636 176.870 -0.006 0.000 1.077 629 L CA 1.468 56.300 54.840 -0.014 0.000 0.747 629 L CB -0.323 41.700 42.059 -0.061 0.000 0.896 629 L HN 0.625 nan 8.230 nan 0.000 0.432 630 I N -1.052 119.514 120.570 -0.007 0.000 2.202 630 I HA -0.339 3.831 4.170 -0.000 0.000 0.242 630 I C 2.542 178.727 176.117 0.113 0.000 1.091 630 I CA 1.309 62.621 61.300 0.019 0.000 1.368 630 I CB -0.809 37.215 38.000 0.041 0.000 1.058 630 I HN 0.335 nan 8.210 nan 0.000 0.410 631 H N 1.134 120.218 119.070 0.024 0.000 2.426 631 H HA -0.137 4.419 4.556 -0.000 0.000 0.298 631 H C 1.962 177.304 175.328 0.024 0.000 1.107 631 H CA 1.760 57.825 56.048 0.028 0.000 1.298 631 H CB -0.127 29.652 29.762 0.027 0.000 1.377 631 H HN 0.110 nan 8.280 nan 0.000 0.519 632 V N -0.945 118.973 119.914 0.006 0.000 2.446 632 V HA -0.126 3.994 4.120 -0.000 0.000 0.244 632 V C 2.606 178.683 176.094 -0.027 0.000 1.039 632 V CA 1.113 63.381 62.300 -0.053 0.000 1.045 632 V CB -0.351 31.472 31.823 0.000 0.000 0.681 632 V HN 0.268 nan 8.190 nan 0.000 0.459 633 V N 0.480 120.393 119.914 -0.002 0.000 2.343 633 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 633 V C 2.580 178.681 176.094 0.013 0.000 1.051 633 V CA 2.656 64.959 62.300 0.006 0.000 1.036 633 V CB -1.256 30.566 31.823 -0.001 0.000 0.654 633 V HN 0.614 nan 8.190 nan 0.000 0.451 634 T N -0.285 114.281 114.554 0.020 0.000 2.643 634 T HA -0.182 4.168 4.350 -0.000 0.000 0.264 634 T C 2.142 176.836 174.700 -0.010 0.000 1.045 634 T CA 1.280 63.394 62.100 0.024 0.000 1.155 634 T CB -0.291 68.604 68.868 0.046 0.000 0.863 634 T HN 0.242 nan 8.240 nan 0.000 0.420 635 R N 0.732 121.195 120.500 -0.063 0.000 2.083 635 R HA -0.071 4.269 4.340 -0.000 0.000 0.237 635 R C 2.490 178.774 176.300 -0.026 0.000 1.137 635 R CA 1.519 57.575 56.100 -0.073 0.000 0.951 635 R CB -0.529 29.669 30.300 -0.170 0.000 0.851 635 R HN 0.402 nan 8.270 nan 0.000 0.434 636 E N 0.396 120.585 120.200 -0.019 0.000 2.033 636 E HA -0.075 4.275 4.350 -0.000 0.000 0.189 636 E C 1.619 178.234 176.600 0.025 0.000 0.979 636 E CA 1.323 57.729 56.400 0.010 0.000 0.802 636 E CB 0.188 29.901 29.700 0.021 0.000 0.763 636 E HN -0.036 nan 8.360 nan 0.000 0.449 637 K N -0.945 119.470 120.400 0.024 0.000 2.308 637 K HA 0.305 4.625 4.320 -0.000 0.000 0.197 637 K C 0.679 177.296 176.600 0.028 0.000 1.049 637 K CA 0.808 57.112 56.287 0.029 0.000 0.991 637 K CB 1.173 33.691 32.500 0.030 0.000 0.836 637 K HN 0.221 nan 8.250 nan 0.000 0.500 638 G N 0.646 109.463 108.800 0.027 0.000 2.346 638 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.294 638 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.294 638 G C -2.647 172.272 174.900 0.032 0.000 1.294 638 G CA -0.323 44.794 45.100 0.028 0.000 0.962 638 G HN -0.188 nan 8.290 nan 0.000 0.508 639 P HA 0.071 nan 4.420 nan 0.000 0.220 639 P C 1.201 178.521 177.300 0.035 0.000 1.154 639 P CA 1.000 64.115 63.100 0.026 0.000 0.837 639 P CB 0.338 32.043 31.700 0.008 0.000 0.815 640 Q N 0.118 119.935 119.800 0.028 0.000 2.049 640 Q HA -0.037 4.303 4.340 -0.000 0.000 0.198 640 Q C 2.433 178.460 176.000 0.045 0.000 0.971 640 Q CA 1.148 56.968 55.803 0.029 0.000 0.833 640 Q CB -1.211 27.538 28.738 0.018 0.000 0.896 640 Q HN 0.108 nan 8.270 nan 0.000 0.434 641 V N 0.927 120.867 119.914 0.042 0.000 2.252 641 V HA -0.316 3.804 4.120 -0.000 0.000 0.249 641 V C 2.599 178.733 176.094 0.067 0.000 1.056 641 V CA 1.956 64.284 62.300 0.046 0.000 1.022 641 V CB -0.931 30.914 31.823 0.036 0.000 0.641 641 V HN 0.512 nan 8.190 nan 0.000 0.445 642 C N 0.510 119.859 119.300 0.083 0.000 2.425 642 C HA -0.064 4.396 4.460 -0.000 0.000 0.277 642 C C 3.079 178.217 174.990 0.247 0.000 1.280 642 C CA 0.685 59.779 59.018 0.126 0.000 1.744 642 C CB -1.351 26.471 27.740 0.137 0.000 1.989 642 C HN 0.591 nan 8.230 nan 0.000 0.491 643 A N -0.056 122.884 122.820 0.201 0.000 1.978 643 A HA -0.233 4.087 4.320 -0.000 0.000 0.220 643 A C 2.293 180.016 177.584 0.232 0.000 1.170 643 A CA 2.138 54.299 52.037 0.207 0.000 0.636 643 A CB -0.675 18.370 19.000 0.075 0.000 0.810 643 A HN 0.775 nan 8.150 nan 0.000 0.448 644 K N -1.003 119.489 120.400 0.153 0.000 2.243 644 K HA 0.028 4.348 4.320 -0.000 0.000 0.201 644 K C 1.789 178.463 176.600 0.123 0.000 1.051 644 K CA 0.668 57.025 56.287 0.117 0.000 0.970 644 K CB -0.174 32.364 32.500 0.063 0.000 0.755 644 K HN 0.338 nan 8.250 nan 0.000 0.465 645 L N 0.848 122.135 121.223 0.107 0.000 2.043 645 L HA -0.157 4.183 4.340 -0.000 0.000 0.212 645 L C 1.544 178.405 176.870 -0.015 0.000 1.075 645 L CA 1.777 56.623 54.840 0.008 0.000 0.752 645 L CB -0.640 41.373 42.059 -0.077 0.000 0.891 645 L HN 0.116 nan 8.230 nan 0.000 0.432 646 F N 0.064 120.031 119.950 0.029 0.000 2.120 646 F HA -0.152 4.375 4.527 -0.000 0.000 0.300 646 F C 2.450 178.274 175.800 0.041 0.000 1.095 646 F CA 1.713 59.735 58.000 0.038 0.000 1.249 646 F CB -1.330 37.696 39.000 0.044 0.000 0.995 646 F HN 0.226 nan 8.300 nan 0.000 0.480 647 G N 0.011 108.944 108.800 0.221 0.000 2.480 647 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.216 647 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.216 647 G C 1.632 176.589 174.900 0.096 0.000 1.200 647 G CA 1.092 46.270 45.100 0.130 0.000 0.782 647 G HN 0.248 nan 8.290 nan 0.000 0.554 648 N N 1.061 119.802 118.700 0.068 0.000 2.000 648 N HA -0.124 4.616 4.740 -0.000 0.000 0.198 648 N C 2.305 177.853 175.510 0.062 0.000 1.057 648 N CA 1.374 54.458 53.050 0.057 0.000 0.858 648 N CB -0.709 37.800 38.487 0.036 0.000 1.057 648 N HN 0.334 nan 8.380 nan 0.000 0.423 649 I N 1.686 122.268 120.570 0.020 0.000 2.147 649 I HA -0.377 3.793 4.170 -0.000 0.000 0.245 649 I C 2.522 178.670 176.117 0.051 0.000 1.059 649 I CA 1.552 62.852 61.300 -0.000 0.000 1.320 649 I CB -0.383 37.578 38.000 -0.066 0.000 1.021 649 I HN 0.279 nan 8.210 nan 0.000 0.415 650 Q N 0.472 120.326 119.800 0.090 0.000 2.050 650 Q HA -0.220 4.120 4.340 -0.000 0.000 0.202 650 Q C 2.286 178.401 176.000 0.191 0.000 0.980 650 Q CA 1.509 57.393 55.803 0.136 0.000 0.840 650 Q CB -0.100 28.733 28.738 0.158 0.000 0.898 650 Q HN 0.509 nan 8.270 nan 0.000 0.424 651 K N -0.005 120.530 120.400 0.225 0.000 2.032 651 K HA -0.149 4.171 4.320 -0.000 0.000 0.209 651 K C 2.134 178.994 176.600 0.433 0.000 1.048 651 K CA 1.520 58.053 56.287 0.410 0.000 0.927 651 K CB -0.210 32.488 32.500 0.330 0.000 0.712 651 K HN 0.025 nan 8.250 nan 0.000 0.441 652 V N 1.116 121.187 119.914 0.261 0.000 2.221 652 V HA -0.224 3.896 4.120 -0.000 0.000 0.242 652 V C 2.325 178.515 176.094 0.160 0.000 1.041 652 V CA 1.581 63.993 62.300 0.187 0.000 0.995 652 V CB -0.479 31.392 31.823 0.079 0.000 0.635 652 V HN 0.061 nan 8.190 nan 0.000 0.448 653 V N 1.122 121.094 119.914 0.097 0.000 2.370 653 V HA -0.320 3.800 4.120 -0.000 0.000 0.252 653 V C 2.316 178.519 176.094 0.181 0.000 1.068 653 V CA 2.326 64.686 62.300 0.100 0.000 1.061 653 V CB -1.008 30.838 31.823 0.039 0.000 0.656 653 V HN 0.578 nan 8.190 nan 0.000 0.455 654 N N -0.411 118.390 118.700 0.169 0.000 2.106 654 N HA -0.133 4.607 4.740 -0.000 0.000 0.188 654 N C 1.738 177.307 175.510 0.099 0.000 1.029 654 N CA 1.576 54.719 53.050 0.154 0.000 0.848 654 N CB -0.494 38.110 38.487 0.194 0.000 1.007 654 N HN 0.530 nan 8.380 nan 0.000 0.423 655 F N 0.606 120.475 119.950 -0.135 0.000 2.161 655 F HA -0.174 4.353 4.527 -0.000 0.000 0.300 655 F C 2.257 177.869 175.800 -0.313 0.000 1.089 655 F CA 1.189 58.929 58.000 -0.433 0.000 1.282 655 F CB -0.570 37.873 39.000 -0.927 0.000 1.010 655 F HN 0.139 nan 8.300 nan 0.000 0.485 656 W N 0.829 121.811 121.300 -0.531 0.000 2.381 656 W HA -0.152 4.508 4.660 -0.000 0.000 0.321 656 W C 2.142 178.462 176.519 -0.331 0.000 1.196 656 W CA 1.753 58.770 57.345 -0.545 0.000 1.304 656 W CB -0.885 28.404 29.460 -0.285 0.000 1.166 656 W HN 0.069 nan 8.180 nan 0.000 0.473 657 L N 1.542 122.764 121.223 -0.002 0.000 2.447 657 L HA -0.114 4.226 4.340 -0.000 0.000 0.225 657 L C 1.994 178.751 176.870 -0.189 0.000 1.148 657 L CA 1.905 56.641 54.840 -0.174 0.000 0.808 657 L CB -1.435 40.686 42.059 0.104 0.000 0.928 657 L HN 0.306 nan 8.230 nan 0.000 0.448 658 L N -0.920 120.206 121.223 -0.163 0.000 2.027 658 L HA -0.144 4.196 4.340 -0.000 0.000 0.206 658 L C 2.259 179.101 176.870 -0.046 0.000 1.074 658 L CA 1.886 56.698 54.840 -0.047 0.000 0.745 658 L CB -0.951 41.133 42.059 0.042 0.000 0.898 658 L HN 0.348 nan 8.230 nan 0.000 0.433 659 H N -0.963 117.837 119.070 -0.449 0.000 2.384 659 H HA 0.052 4.608 4.556 -0.000 0.000 0.300 659 H C 2.062 177.117 175.328 -0.455 0.000 1.057 659 H CA 1.370 57.161 56.048 -0.429 0.000 1.370 659 H CB -0.621 28.837 29.762 -0.507 0.000 1.417 659 H HN 0.429 nan 8.280 nan 0.000 0.527 660 N N 0.685 119.036 118.700 -0.581 0.000 2.519 660 N HA -0.053 4.687 4.740 -0.000 0.000 0.186 660 N C 0.483 175.797 175.510 -0.327 0.000 1.062 660 N CA 0.762 53.424 53.050 -0.647 0.000 0.910 660 N CB 0.093 37.733 38.487 -1.411 0.000 0.958 660 N HN 0.497 nan 8.380 nan 0.000 0.445 661 G N -0.606 108.062 108.800 -0.221 0.000 2.992 661 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.340 661 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.340 661 G C -0.640 174.312 174.900 0.086 0.000 1.539 661 G CA 0.184 45.244 45.100 -0.067 0.000 0.997 661 G HN 0.402 nan 8.290 nan 0.000 0.561 662 F N 0.099 120.005 119.950 -0.073 0.000 2.725 662 F HA 0.629 5.156 4.527 -0.000 0.000 0.311 662 F C -0.158 175.630 175.800 -0.019 0.000 1.121 662 F CA 0.487 58.466 58.000 -0.035 0.000 0.978 662 F CB 1.349 40.342 39.000 -0.011 0.000 1.274 662 F HN 1.559 nan 8.300 nan 0.000 0.440 663 S N 1.976 117.060 115.700 -1.027 0.000 2.694 663 S HA 0.858 5.328 4.470 -0.000 0.000 0.273 663 S C -1.800 172.389 174.600 -0.685 0.000 1.180 663 S CA -0.117 57.703 58.200 -0.633 0.000 0.864 663 S CB 1.670 64.697 63.200 -0.289 0.000 1.198 663 S HN 0.928 nan 8.310 nan 0.000 0.499 664 T N 0.256 114.615 114.554 -0.326 0.000 3.012 664 T HA 0.717 5.067 4.350 -0.000 0.000 0.330 664 T C -0.628 174.000 174.700 -0.119 0.000 1.321 664 T CA -0.059 61.915 62.100 -0.210 0.000 1.067 664 T CB 1.416 70.203 68.868 -0.134 0.000 1.235 664 T HN 1.235 nan 8.240 nan 0.000 0.479 665 G N 0.909 109.656 108.800 -0.089 0.000 2.698 665 G HA2 0.519 4.479 3.960 -0.000 0.000 0.293 665 G HA3 0.519 4.479 3.960 -0.000 0.000 0.293 665 G C 0.764 175.640 174.900 -0.040 0.000 1.437 665 G CA -0.814 44.250 45.100 -0.059 0.000 0.852 665 G HN 0.713 nan 8.290 nan 0.000 0.499 666 I N 0.134 120.687 120.570 -0.028 0.000 2.292 666 I HA -0.232 3.938 4.170 -0.000 0.000 0.255 666 I C 2.457 178.565 176.117 -0.015 0.000 1.078 666 I CA 2.018 63.308 61.300 -0.017 0.000 1.365 666 I CB -1.216 36.776 38.000 -0.013 0.000 1.049 666 I HN 0.571 nan 8.210 nan 0.000 0.439 667 G N 0.059 108.846 108.800 -0.022 0.000 2.501 667 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.220 667 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.220 667 G C 1.265 176.155 174.900 -0.016 0.000 1.114 667 G CA 0.960 46.049 45.100 -0.019 0.000 0.757 667 G HN 0.522 nan 8.290 nan 0.000 0.559 668 D N -0.156 120.233 120.400 -0.019 0.000 2.349 668 D HA -0.025 4.615 4.640 -0.000 0.000 0.215 668 D C 2.280 178.580 176.300 -0.000 0.000 1.016 668 D CA 1.236 55.230 54.000 -0.010 0.000 0.870 668 D CB 0.252 41.042 40.800 -0.017 0.000 0.917 668 D HN 0.498 nan 8.370 nan 0.000 0.524 669 T N -1.902 112.652 114.554 -0.000 0.000 3.054 669 T HA 0.249 4.599 4.350 -0.000 0.000 0.255 669 T C 0.946 175.647 174.700 0.003 0.000 1.035 669 T CA -0.273 61.830 62.100 0.006 0.000 0.941 669 T CB 0.167 69.044 68.868 0.015 0.000 1.026 669 T HN -0.054 nan 8.240 nan 0.000 0.533 670 I N 2.308 122.878 120.570 0.000 0.000 2.342 670 I HA 0.602 4.772 4.170 -0.000 0.000 0.291 670 I C 0.426 176.543 176.117 0.000 0.000 1.010 670 I CA -1.189 60.111 61.300 -0.000 0.000 1.308 670 I CB 1.194 39.193 38.000 -0.002 0.000 1.400 670 I HN 0.144 nan 8.210 nan 0.000 0.488 671 A N 4.421 127.241 122.820 -0.001 0.000 2.309 671 A HA 0.266 4.586 4.320 -0.000 0.000 0.298 671 A C -0.213 177.373 177.584 0.003 0.000 1.165 671 A CA -0.529 51.508 52.037 0.001 0.000 0.821 671 A CB 0.530 19.529 19.000 -0.003 0.000 1.102 671 A HN 0.791 nan 8.150 nan 0.000 0.500 672 D N 2.130 122.533 120.400 0.006 0.000 2.703 672 D HA 0.150 4.790 4.640 -0.000 0.000 0.225 672 D C 1.640 177.944 176.300 0.006 0.000 1.119 672 D CA 1.685 55.689 54.000 0.007 0.000 0.845 672 D CB 0.640 41.446 40.800 0.010 0.000 1.182 672 D HN 0.603 nan 8.370 nan 0.000 0.493 673 G N 4.322 113.125 108.800 0.005 0.000 2.839 673 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.221 673 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.221 673 G C -0.621 174.283 174.900 0.006 0.000 1.271 673 G CA 1.214 46.317 45.100 0.005 0.000 0.789 673 G HN 0.682 nan 8.290 nan 0.000 0.659 674 P HA -0.074 nan 4.420 nan 0.000 0.216 674 P C 1.782 179.088 177.300 0.010 0.000 1.150 674 P CA 2.029 65.135 63.100 0.009 0.000 0.837 674 P CB -0.442 31.264 31.700 0.009 0.000 0.786 675 T N 0.081 114.641 114.554 0.011 0.000 2.737 675 T HA -0.151 4.199 4.350 -0.000 0.000 0.269 675 T C 1.988 176.694 174.700 0.010 0.000 1.040 675 T CA 1.316 63.423 62.100 0.012 0.000 1.142 675 T CB -0.526 68.350 68.868 0.012 0.000 0.861 675 T HN 0.016 nan 8.240 nan 0.000 0.456 676 M N 0.820 120.424 119.600 0.007 0.000 2.126 676 M HA -0.111 4.369 4.480 -0.000 0.000 0.259 676 M C 2.523 178.828 176.300 0.009 0.000 1.073 676 M CA 1.684 56.987 55.300 0.005 0.000 1.103 676 M CB -0.967 31.636 32.600 0.004 0.000 1.284 676 M HN 0.169 nan 8.290 nan 0.000 0.420 677 R N 0.549 121.055 120.500 0.009 0.000 2.119 677 R HA -0.234 4.106 4.340 -0.000 0.000 0.246 677 R C 1.940 178.247 176.300 0.013 0.000 1.146 677 R CA 2.223 58.330 56.100 0.011 0.000 0.962 677 R CB -0.411 29.895 30.300 0.010 0.000 0.863 677 R HN 0.498 nan 8.270 nan 0.000 0.442 678 E N 0.028 120.236 120.200 0.013 0.000 2.265 678 E HA -0.170 4.180 4.350 -0.000 0.000 0.196 678 E C 1.736 178.346 176.600 0.017 0.000 0.996 678 E CA 1.100 57.509 56.400 0.014 0.000 0.832 678 E CB 0.022 29.731 29.700 0.015 0.000 0.756 678 E HN 0.515 nan 8.360 nan 0.000 0.491 679 I N -0.225 120.355 120.570 0.017 0.000 2.731 679 I HA -0.107 4.063 4.170 -0.000 0.000 0.260 679 I C 2.008 178.141 176.117 0.027 0.000 1.138 679 I CA 0.679 61.992 61.300 0.022 0.000 1.461 679 I CB -0.073 37.937 38.000 0.016 0.000 1.128 679 I HN 0.036 nan 8.210 nan 0.000 0.438 680 T N 1.214 115.782 114.554 0.023 0.000 2.929 680 T HA -0.169 4.181 4.350 -0.000 0.000 0.271 680 T C 1.508 176.225 174.700 0.029 0.000 1.085 680 T CA 1.434 63.551 62.100 0.029 0.000 1.125 680 T CB -0.320 68.562 68.868 0.023 0.000 0.874 680 T HN 0.600 nan 8.240 nan 0.000 0.494 681 E N 0.249 120.462 120.200 0.021 0.000 2.452 681 E HA 0.056 4.406 4.350 -0.000 0.000 0.197 681 E C 1.481 178.087 176.600 0.011 0.000 1.022 681 E CA 0.395 56.804 56.400 0.015 0.000 0.890 681 E CB -0.217 29.489 29.700 0.010 0.000 0.918 681 E HN 0.212 nan 8.360 nan 0.000 0.496 682 T N 1.061 115.626 114.554 0.018 0.000 3.067 682 T HA 0.152 4.502 4.350 -0.000 0.000 0.261 682 T C 1.721 176.434 174.700 0.021 0.000 1.110 682 T CA 0.378 62.487 62.100 0.015 0.000 1.113 682 T CB 0.013 68.897 68.868 0.026 0.000 0.917 682 T HN 0.169 nan 8.240 nan 0.000 0.499 683 I N 1.061 121.655 120.570 0.041 0.000 2.270 683 I HA 0.027 4.197 4.170 -0.000 0.000 0.239 683 I C 2.952 179.085 176.117 0.026 0.000 1.080 683 I CA 0.716 62.057 61.300 0.067 0.000 1.383 683 I CB -0.588 37.481 38.000 0.115 0.000 1.097 683 I HN 0.130 nan 8.210 nan 0.000 0.420 684 A N 1.842 124.677 122.820 0.026 0.000 1.884 684 A HA -0.311 4.009 4.320 -0.000 0.000 0.219 684 A C 2.203 179.778 177.584 -0.016 0.000 1.197 684 A CA 2.568 54.611 52.037 0.011 0.000 0.637 684 A CB -1.097 17.912 19.000 0.015 0.000 0.827 684 A HN 0.666 nan 8.150 nan 0.000 0.450 685 E N -0.070 120.115 120.200 -0.023 0.000 2.118 685 E HA -0.070 4.280 4.350 -0.000 0.000 0.195 685 E C 1.882 178.428 176.600 -0.090 0.000 0.992 685 E CA 1.470 57.841 56.400 -0.048 0.000 0.804 685 E CB -0.475 29.199 29.700 -0.043 0.000 0.741 685 E HN 0.505 nan 8.360 nan 0.000 0.458 686 A N 1.231 123.996 122.820 -0.091 0.000 2.014 686 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 686 A C 2.052 179.548 177.584 -0.146 0.000 1.163 686 A CA 1.294 53.241 52.037 -0.149 0.000 0.652 686 A CB -0.278 18.657 19.000 -0.108 0.000 0.808 686 A HN 0.160 nan 8.150 nan 0.000 0.449 687 K N -0.074 120.270 120.400 -0.093 0.000 2.026 687 K HA -0.117 4.203 4.320 -0.000 0.000 0.208 687 K C 2.029 178.602 176.600 -0.045 0.000 1.048 687 K CA 1.588 57.833 56.287 -0.070 0.000 0.929 687 K CB -0.175 32.309 32.500 -0.027 0.000 0.713 687 K HN 0.356 nan 8.250 nan 0.000 0.439 688 K N 1.087 121.460 120.400 -0.045 0.000 2.147 688 K HA -0.144 4.176 4.320 -0.000 0.000 0.205 688 K C 1.972 178.544 176.600 -0.046 0.000 1.049 688 K CA 1.024 57.293 56.287 -0.030 0.000 0.936 688 K CB 0.010 32.492 32.500 -0.030 0.000 0.722 688 K HN 0.022 nan 8.250 nan 0.000 0.446 689 K N 0.642 120.967 120.400 -0.125 0.000 2.442 689 K HA -0.101 4.219 4.320 -0.000 0.000 0.198 689 K C 1.485 178.058 176.600 -0.044 0.000 1.044 689 K CA 0.622 56.779 56.287 -0.218 0.000 0.948 689 K CB 0.292 32.450 32.500 -0.570 0.000 0.762 689 K HN -0.041 nan 8.250 nan 0.000 0.472 690 V N 0.250 120.187 119.914 0.038 0.000 2.581 690 V HA -0.122 3.998 4.120 -0.000 0.000 0.240 690 V C 1.790 177.980 176.094 0.161 0.000 1.054 690 V CA 0.624 63.030 62.300 0.176 0.000 1.076 690 V CB -0.017 31.872 31.823 0.111 0.000 0.748 690 V HN 0.282 nan 8.190 nan 0.000 0.474 691 L N 0.831 122.107 121.223 0.088 0.000 2.079 691 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 691 L C 1.776 178.688 176.870 0.071 0.000 1.081 691 L CA 2.263 57.148 54.840 0.075 0.000 0.752 691 L CB -0.779 41.304 42.059 0.041 0.000 0.896 691 L HN 0.340 nan 8.230 nan 0.000 0.433 692 D N -0.700 119.740 120.400 0.067 0.000 2.077 692 D HA -0.163 4.476 4.640 -0.000 0.000 0.193 692 D C 2.097 178.446 176.300 0.082 0.000 0.989 692 D CA 1.947 55.983 54.000 0.059 0.000 0.831 692 D CB -0.264 40.565 40.800 0.049 0.000 0.979 692 D HN 0.230 nan 8.370 nan 0.000 0.449 693 V N 0.475 120.481 119.914 0.154 0.000 3.241 693 V HA -0.126 3.994 4.120 -0.000 0.000 0.269 693 V C 1.972 178.151 176.094 0.142 0.000 1.151 693 V CA 1.436 63.848 62.300 0.186 0.000 1.158 693 V CB -0.662 31.353 31.823 0.320 0.000 0.764 693 V HN 0.233 nan 8.190 nan 0.000 0.508 694 T N -0.659 113.971 114.554 0.127 0.000 2.939 694 T HA -0.039 4.311 4.350 -0.000 0.000 0.254 694 T C 1.946 176.569 174.700 -0.128 0.000 1.041 694 T CA 0.847 62.950 62.100 0.006 0.000 1.142 694 T CB 0.006 68.958 68.868 0.140 0.000 0.874 694 T HN 0.427 nan 8.240 nan 0.000 0.452 695 K N 0.965 121.335 120.400 -0.050 0.000 2.167 695 K HA 0.039 4.359 4.320 -0.000 0.000 0.203 695 K C 2.280 178.834 176.600 -0.077 0.000 1.052 695 K CA 0.679 56.928 56.287 -0.063 0.000 0.956 695 K CB -0.003 32.482 32.500 -0.026 0.000 0.735 695 K HN 0.352 nan 8.250 nan 0.000 0.451 696 E N 0.498 120.666 120.200 -0.053 0.000 2.333 696 E HA -0.149 4.201 4.350 -0.000 0.000 0.198 696 E C 1.296 177.841 176.600 -0.092 0.000 1.007 696 E CA 0.815 57.188 56.400 -0.045 0.000 0.845 696 E CB 0.135 29.835 29.700 -0.001 0.000 0.766 696 E HN 0.298 nan 8.360 nan 0.000 0.507 697 A N -0.094 122.619 122.820 -0.179 0.000 2.252 697 A HA 0.091 4.411 4.320 -0.000 0.000 0.213 697 A C 1.562 178.988 177.584 -0.264 0.000 1.188 697 A CA -0.129 51.749 52.037 -0.264 0.000 0.863 697 A CB 0.255 18.947 19.000 -0.514 0.000 0.893 697 A HN 0.174 nan 8.150 nan 0.000 0.495 698 Q N -0.713 118.952 119.800 -0.226 0.000 2.320 698 Q HA 0.315 4.655 4.340 -0.000 0.000 0.201 698 Q C 1.361 177.292 176.000 -0.116 0.000 0.910 698 Q CA 0.443 56.137 55.803 -0.183 0.000 0.946 698 Q CB 0.262 28.902 28.738 -0.162 0.000 1.062 698 Q HN 0.628 nan 8.270 nan 0.000 0.503 699 A N 0.380 123.139 122.820 -0.101 0.000 2.192 699 A HA 0.121 4.441 4.320 -0.000 0.000 0.208 699 A C 0.787 178.335 177.584 -0.060 0.000 1.220 699 A CA 0.413 52.411 52.037 -0.066 0.000 0.900 699 A CB 0.369 19.339 19.000 -0.051 0.000 0.937 699 A HN 0.389 nan 8.150 nan 0.000 0.487 700 N N -1.951 116.704 118.700 -0.074 0.000 2.999 700 N HA -0.117 4.623 4.740 -0.000 0.000 0.242 700 N C -0.198 175.287 175.510 -0.043 0.000 1.016 700 N CA 0.791 53.805 53.050 -0.060 0.000 0.894 700 N CB -2.007 36.453 38.487 -0.046 0.000 1.113 700 N HN 0.338 nan 8.380 nan 0.000 0.555 701 L N 0.391 121.588 121.223 -0.043 0.000 2.968 701 L HA 0.345 4.685 4.340 -0.000 0.000 0.235 701 L C 0.055 176.914 176.870 -0.018 0.000 1.323 701 L CA 0.226 55.050 54.840 -0.025 0.000 1.159 701 L CB -0.211 41.836 42.059 -0.021 0.000 1.523 701 L HN 0.141 nan 8.230 nan 0.000 0.468 702 L N -0.490 120.721 121.223 -0.020 0.000 2.408 702 L HA 0.407 4.747 4.340 -0.000 0.000 0.268 702 L C 0.015 176.886 176.870 0.002 0.000 0.986 702 L CA -0.432 54.405 54.840 -0.006 0.000 0.820 702 L CB 2.716 44.770 42.059 -0.009 0.000 1.303 702 L HN -0.052 nan 8.230 nan 0.000 0.411 703 T N 2.512 117.074 114.554 0.012 0.000 2.738 703 T HA 0.253 4.603 4.350 -0.000 0.000 0.293 703 T C 0.449 175.164 174.700 0.024 0.000 0.913 703 T CA -0.358 61.751 62.100 0.016 0.000 1.103 703 T CB 0.731 69.610 68.868 0.019 0.000 0.880 703 T HN 0.599 nan 8.240 nan 0.000 0.526 704 A N 5.188 128.022 122.820 0.024 0.000 2.489 704 A HA 0.151 4.471 4.320 -0.000 0.000 0.289 704 A C 0.646 178.258 177.584 0.047 0.000 1.216 704 A CA -0.286 51.770 52.037 0.031 0.000 0.883 704 A CB -0.289 18.727 19.000 0.027 0.000 1.110 704 A HN 0.781 nan 8.150 nan 0.000 0.523 705 K N 3.141 123.569 120.400 0.046 0.000 2.395 705 K HA -0.012 4.308 4.320 -0.000 0.000 0.283 705 K C 0.059 176.712 176.600 0.088 0.000 1.068 705 K CA -0.082 56.242 56.287 0.063 0.000 1.039 705 K CB 0.003 32.530 32.500 0.045 0.000 0.924 705 K HN 0.811 nan 8.250 nan 0.000 0.468 706 H N 1.748 120.818 119.070 0.000 0.000 3.184 706 H HA -0.178 4.378 4.556 -0.000 0.000 0.283 706 H C 1.343 176.670 175.328 -0.000 0.000 0.894 706 H CA 2.080 58.126 56.048 -0.003 0.000 1.391 706 H CB -0.068 29.689 29.762 -0.008 0.000 1.269 706 H HN 0.899 nan 8.280 nan 0.000 0.555 707 G N 3.531 112.107 108.800 -0.373 0.000 2.143 707 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.249 707 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.249 707 G C -0.006 174.823 174.900 -0.118 0.000 0.981 707 G CA 0.266 45.195 45.100 -0.285 0.000 0.665 707 G HN 0.684 nan 8.290 nan 0.000 0.528 708 M N 0.674 120.233 119.600 -0.068 0.000 2.378 708 M HA 0.359 4.839 4.480 -0.000 0.000 0.289 708 M C 0.275 176.569 176.300 -0.010 0.000 1.136 708 M CA -0.657 54.625 55.300 -0.029 0.000 0.917 708 M CB 2.142 34.735 32.600 -0.012 0.000 1.669 708 M HN 0.029 nan 8.290 nan 0.000 0.461 709 T N 2.142 116.694 114.554 -0.003 0.000 2.908 709 T HA 0.034 4.384 4.350 -0.000 0.000 0.325 709 T C 1.389 176.105 174.700 0.025 0.000 1.092 709 T CA -0.087 62.020 62.100 0.011 0.000 1.125 709 T CB 0.394 69.274 68.868 0.019 0.000 1.016 709 T HN 0.437 nan 8.240 nan 0.000 0.550 710 L N 1.938 123.175 121.223 0.023 0.000 2.127 710 L HA -0.063 4.277 4.340 -0.000 0.000 0.211 710 L C 2.629 179.535 176.870 0.059 0.000 1.089 710 L CA 1.734 56.590 54.840 0.026 0.000 0.757 710 L CB -0.732 41.328 42.059 0.002 0.000 0.899 710 L HN 0.532 nan 8.230 nan 0.000 0.434 711 R N -0.416 120.126 120.500 0.070 0.000 2.055 711 R HA -0.096 4.244 4.340 -0.000 0.000 0.228 711 R C 2.265 178.657 176.300 0.153 0.000 1.143 711 R CA 1.243 57.425 56.100 0.138 0.000 0.945 711 R CB -0.298 30.071 30.300 0.114 0.000 0.841 711 R HN 0.402 nan 8.270 nan 0.000 0.429 712 E N 0.179 120.424 120.200 0.075 0.000 2.114 712 E HA -0.223 4.127 4.350 -0.000 0.000 0.199 712 E C 1.982 178.599 176.600 0.029 0.000 1.008 712 E CA 1.660 58.080 56.400 0.033 0.000 0.810 712 E CB -0.132 29.573 29.700 0.008 0.000 0.739 712 E HN 0.213 nan 8.360 nan 0.000 0.456 713 S N 0.387 116.117 115.700 0.051 0.000 2.419 713 S HA -0.132 4.338 4.470 -0.000 0.000 0.233 713 S C 1.447 176.099 174.600 0.086 0.000 1.016 713 S CA 0.711 58.938 58.200 0.044 0.000 0.974 713 S CB -0.238 62.990 63.200 0.047 0.000 0.786 713 S HN 0.283 nan 8.310 nan 0.000 0.492 714 F N 2.862 122.792 119.950 -0.034 0.000 2.074 714 F HA -0.017 4.510 4.527 -0.000 0.000 0.293 714 F C 2.198 177.972 175.800 -0.042 0.000 1.116 714 F CA 1.298 59.279 58.000 -0.032 0.000 1.212 714 F CB -0.736 38.259 39.000 -0.009 0.000 0.998 714 F HN 0.064 nan 8.300 nan 0.000 0.471 715 E N 0.205 120.204 120.200 -0.336 0.000 2.058 715 E HA -0.289 4.061 4.350 -0.000 0.000 0.194 715 E C 2.049 178.461 176.600 -0.314 0.000 0.997 715 E CA 1.522 57.655 56.400 -0.446 0.000 0.801 715 E CB -0.942 28.618 29.700 -0.233 0.000 0.746 715 E HN 0.519 nan 8.360 nan 0.000 0.450 716 D N 0.742 121.027 120.400 -0.191 0.000 2.203 716 D HA -0.185 4.455 4.640 -0.000 0.000 0.199 716 D C 1.359 177.511 176.300 -0.246 0.000 0.997 716 D CA 0.925 54.826 54.000 -0.165 0.000 0.863 716 D CB 0.053 40.791 40.800 -0.103 0.000 0.928 716 D HN 0.136 nan 8.370 nan 0.000 0.458 717 N N -0.315 118.194 118.700 -0.317 0.000 2.336 717 N HA -0.071 4.669 4.740 -0.000 0.000 0.177 717 N C 2.158 177.270 175.510 -0.663 0.000 1.018 717 N CA 0.412 53.132 53.050 -0.550 0.000 0.878 717 N CB -0.154 38.067 38.487 -0.444 0.000 0.997 717 N HN 0.121 nan 8.380 nan 0.000 0.433 718 V N 1.709 121.361 119.914 -0.436 0.000 2.233 718 V HA -0.208 3.912 4.120 -0.000 0.000 0.247 718 V C 2.581 178.572 176.094 -0.172 0.000 1.050 718 V CA 1.444 63.580 62.300 -0.274 0.000 1.010 718 V CB -0.796 30.766 31.823 -0.435 0.000 0.637 718 V HN 0.000 nan 8.190 nan 0.000 0.444 719 V N -0.216 119.577 119.914 -0.202 0.000 2.214 719 V HA -0.329 3.791 4.120 -0.000 0.000 0.247 719 V C 2.519 178.578 176.094 -0.057 0.000 1.051 719 V CA 2.511 64.746 62.300 -0.108 0.000 1.003 719 V CB -0.810 30.949 31.823 -0.107 0.000 0.635 719 V HN 0.423 nan 8.190 nan 0.000 0.447 720 R N -1.340 119.092 120.500 -0.113 0.000 2.332 720 R HA -0.168 4.172 4.340 -0.000 0.000 0.239 720 R C 2.108 178.461 176.300 0.089 0.000 1.160 720 R CA 1.482 57.548 56.100 -0.056 0.000 1.020 720 R CB -0.256 29.962 30.300 -0.137 0.000 0.859 720 R HN 0.589 nan 8.270 nan 0.000 0.478 721 F N -0.690 119.231 119.950 -0.049 0.000 2.164 721 F HA -0.104 4.423 4.527 -0.000 0.000 0.287 721 F C 2.007 177.763 175.800 -0.072 0.000 1.086 721 F CA 0.017 57.985 58.000 -0.054 0.000 1.249 721 F CB -0.084 38.873 39.000 -0.072 0.000 1.059 721 F HN -0.064 nan 8.300 nan 0.000 0.490 722 L N 0.478 121.749 121.223 0.080 0.000 1.971 722 L HA -0.323 4.017 4.340 -0.000 0.000 0.215 722 L C 2.079 179.012 176.870 0.104 0.000 1.072 722 L CA 1.484 56.264 54.840 -0.099 0.000 0.758 722 L CB -1.130 40.734 42.059 -0.325 0.000 0.889 722 L HN 0.119 nan 8.230 nan 0.000 0.433 723 N N -0.055 118.730 118.700 0.142 0.000 2.007 723 N HA -0.280 4.460 4.740 -0.000 0.000 0.197 723 N C 1.852 177.449 175.510 0.146 0.000 1.050 723 N CA 1.741 54.888 53.050 0.161 0.000 0.856 723 N CB -0.536 38.023 38.487 0.120 0.000 1.050 723 N HN 0.407 nan 8.380 nan 0.000 0.423 724 E N 0.433 120.713 120.200 0.134 0.000 2.197 724 E HA -0.250 4.100 4.350 -0.000 0.000 0.205 724 E C 1.689 178.356 176.600 0.112 0.000 1.029 724 E CA 1.522 57.998 56.400 0.127 0.000 0.828 724 E CB -0.020 29.776 29.700 0.159 0.000 0.737 724 E HN 0.430 nan 8.360 nan 0.000 0.464 725 A N 0.876 123.759 122.820 0.105 0.000 1.843 725 A HA -0.114 4.206 4.320 -0.000 0.000 0.213 725 A C 2.116 179.775 177.584 0.124 0.000 1.202 725 A CA 1.219 53.307 52.037 0.086 0.000 0.607 725 A CB -0.557 18.474 19.000 0.051 0.000 0.847 725 A HN 0.207 nan 8.150 nan 0.000 0.445 726 R N -0.004 120.603 120.500 0.177 0.000 2.140 726 R HA -0.265 4.075 4.340 -0.000 0.000 0.250 726 R C 1.524 177.894 176.300 0.118 0.000 1.150 726 R CA 2.452 58.653 56.100 0.167 0.000 0.966 726 R CB -0.612 29.809 30.300 0.201 0.000 0.869 726 R HN 0.527 nan 8.270 nan 0.000 0.445 727 D N -0.003 120.489 120.400 0.155 0.000 2.077 727 D HA -0.201 4.439 4.640 -0.000 0.000 0.193 727 D C 1.856 178.296 176.300 0.232 0.000 0.989 727 D CA 2.200 56.334 54.000 0.224 0.000 0.831 727 D CB -0.136 40.801 40.800 0.228 0.000 0.979 727 D HN 0.433 nan 8.370 nan 0.000 0.449 728 K N 0.687 121.187 120.400 0.167 0.000 2.281 728 K HA -0.035 4.285 4.320 -0.000 0.000 0.203 728 K C 1.944 178.612 176.600 0.113 0.000 1.046 728 K CA 1.365 57.737 56.287 0.141 0.000 0.938 728 K CB -0.109 32.447 32.500 0.093 0.000 0.737 728 K HN 0.087 nan 8.250 nan 0.000 0.458 729 A N 1.680 124.555 122.820 0.091 0.000 1.877 729 A HA -0.024 4.296 4.320 -0.000 0.000 0.216 729 A C 2.519 180.117 177.584 0.024 0.000 1.186 729 A CA 1.704 53.774 52.037 0.055 0.000 0.620 729 A CB -1.321 17.712 19.000 0.055 0.000 0.822 729 A HN 0.545 nan 8.150 nan 0.000 0.443 730 G N -1.018 107.781 108.800 -0.002 0.000 2.404 730 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.215 730 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.215 730 G C 1.647 176.527 174.900 -0.033 0.000 1.174 730 G CA 0.799 45.823 45.100 -0.126 0.000 0.780 730 G HN 0.503 nan 8.290 nan 0.000 0.537 731 R N -0.086 120.527 120.500 0.188 0.000 2.332 731 R HA -0.019 4.321 4.340 -0.000 0.000 0.239 731 R C 2.293 178.688 176.300 0.158 0.000 1.160 731 R CA 0.648 56.944 56.100 0.327 0.000 1.020 731 R CB -0.235 30.260 30.300 0.324 0.000 0.859 731 R HN 0.404 nan 8.270 nan 0.000 0.478 732 L N -1.318 119.959 121.223 0.090 0.000 2.068 732 L HA -0.008 4.332 4.340 -0.000 0.000 0.204 732 L C 2.539 179.434 176.870 0.043 0.000 1.076 732 L CA 1.065 55.940 54.840 0.059 0.000 0.753 732 L CB -0.561 41.523 42.059 0.041 0.000 0.910 732 L HN 0.199 nan 8.230 nan 0.000 0.439 733 A N 0.105 122.938 122.820 0.021 0.000 1.968 733 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 733 A C 2.215 179.813 177.584 0.024 0.000 1.169 733 A CA 1.467 53.510 52.037 0.009 0.000 0.638 733 A CB -0.466 18.522 19.000 -0.020 0.000 0.812 733 A HN 0.482 nan 8.150 nan 0.000 0.446 734 E N 0.012 120.238 120.200 0.042 0.000 2.118 734 E HA -0.151 4.199 4.350 -0.000 0.000 0.195 734 E C 0.872 177.525 176.600 0.089 0.000 0.992 734 E CA 1.702 58.154 56.400 0.087 0.000 0.804 734 E CB -0.049 29.774 29.700 0.205 0.000 0.741 734 E HN 0.351 nan 8.360 nan 0.000 0.458 735 V N 1.510 121.472 119.914 0.080 0.000 3.444 735 V HA 0.080 4.200 4.120 -0.000 0.000 0.308 735 V C 1.397 177.520 176.094 0.048 0.000 1.371 735 V CA 0.341 62.680 62.300 0.065 0.000 1.141 735 V CB 0.042 31.904 31.823 0.064 0.000 1.037 735 V HN 0.304 nan 8.190 nan 0.000 0.433 736 N N 0.470 119.195 118.700 0.043 0.000 2.294 736 N HA 0.158 4.898 4.740 -0.000 0.000 0.186 736 N C 0.489 176.018 175.510 0.030 0.000 1.107 736 N CA 0.026 53.096 53.050 0.032 0.000 0.884 736 N CB 0.574 39.076 38.487 0.026 0.000 1.030 736 N HN 0.393 nan 8.380 nan 0.000 0.482 737 L N 3.706 124.949 121.223 0.035 0.000 2.334 737 L HA 0.198 4.538 4.340 -0.000 0.000 0.286 737 L C 0.302 177.197 176.870 0.041 0.000 1.108 737 L CA -0.405 54.455 54.840 0.034 0.000 0.875 737 L CB 0.549 42.629 42.059 0.035 0.000 1.246 737 L HN -0.040 nan 8.230 nan 0.000 0.439 738 K N 1.372 121.794 120.400 0.037 0.000 2.505 738 K HA -0.111 4.208 4.320 -0.000 0.000 0.272 738 K C 0.021 176.650 176.600 0.049 0.000 0.963 738 K CA -0.125 56.186 56.287 0.039 0.000 0.932 738 K CB 0.485 33.005 32.500 0.033 0.000 0.924 738 K HN 0.357 nan 8.250 nan 0.000 0.520 739 D N 0.578 121.008 120.400 0.051 0.000 2.370 739 D HA 0.001 4.641 4.640 -0.000 0.000 0.256 739 D C 0.725 177.067 176.300 0.070 0.000 1.197 739 D CA 0.479 54.515 54.000 0.060 0.000 0.922 739 D CB -0.272 40.561 40.800 0.056 0.000 0.911 739 D HN 0.453 nan 8.370 nan 0.000 0.517 740 L N -3.524 117.739 121.223 0.065 0.000 2.948 740 L HA 0.335 4.675 4.340 -0.000 0.000 0.259 740 L C 0.402 177.313 176.870 0.068 0.000 1.136 740 L CA -0.492 54.390 54.840 0.070 0.000 0.959 740 L CB -0.332 41.757 42.059 0.050 0.000 1.370 740 L HN -0.263 nan 8.230 nan 0.000 0.552 741 N N 1.354 120.090 118.700 0.060 0.000 2.454 741 N HA 0.015 4.755 4.740 -0.000 0.000 0.260 741 N C 0.784 176.345 175.510 0.084 0.000 1.218 741 N CA 0.106 53.187 53.050 0.050 0.000 0.904 741 N CB 0.512 39.025 38.487 0.044 0.000 1.065 741 N HN 0.241 nan 8.380 nan 0.000 0.462 742 N N 2.641 121.375 118.700 0.055 0.000 2.039 742 N HA -0.156 4.584 4.740 -0.000 0.000 0.193 742 N C 1.489 177.106 175.510 0.178 0.000 1.044 742 N CA 1.022 54.136 53.050 0.108 0.000 0.847 742 N CB -0.461 37.925 38.487 -0.168 0.000 1.030 742 N HN 0.313 nan 8.380 nan 0.000 0.422 743 V N 2.008 121.977 119.914 0.092 0.000 2.439 743 V HA -0.262 3.858 4.120 -0.000 0.000 0.253 743 V C 2.510 178.668 176.094 0.107 0.000 1.074 743 V CA 1.675 64.033 62.300 0.097 0.000 1.076 743 V CB -0.492 31.363 31.823 0.053 0.000 0.664 743 V HN 0.387 nan 8.190 nan 0.000 0.461 744 K N -0.593 119.867 120.400 0.100 0.000 2.062 744 K HA -0.167 4.153 4.320 -0.000 0.000 0.205 744 K C 2.225 178.889 176.600 0.108 0.000 1.051 744 K CA 1.279 57.622 56.287 0.094 0.000 0.941 744 K CB -0.132 32.416 32.500 0.081 0.000 0.719 744 K HN 0.501 nan 8.250 nan 0.000 0.440 745 Q N -0.017 119.868 119.800 0.142 0.000 2.135 745 Q HA -0.160 4.180 4.340 -0.000 0.000 0.204 745 Q C 2.036 178.097 176.000 0.102 0.000 0.981 745 Q CA 1.858 57.744 55.803 0.138 0.000 0.856 745 Q CB -0.072 28.800 28.738 0.224 0.000 0.902 745 Q HN 0.436 nan 8.270 nan 0.000 0.425 746 M N -0.379 119.311 119.600 0.150 0.000 2.476 746 M HA -0.094 4.386 4.480 -0.000 0.000 0.262 746 M C 1.842 178.189 176.300 0.077 0.000 1.079 746 M CA 0.738 56.101 55.300 0.106 0.000 1.104 746 M CB 0.239 32.938 32.600 0.164 0.000 1.409 746 M HN 0.058 nan 8.290 nan 0.000 0.467 747 V N -0.299 119.665 119.914 0.084 0.000 2.725 747 V HA -0.089 4.031 4.120 -0.000 0.000 0.247 747 V C 2.157 178.289 176.094 0.063 0.000 1.058 747 V CA 1.029 63.374 62.300 0.076 0.000 1.080 747 V CB -0.313 31.563 31.823 0.089 0.000 0.713 747 V HN 0.471 nan 8.190 nan 0.000 0.465 748 M N 0.086 119.721 119.600 0.059 0.000 2.288 748 M HA -0.003 4.477 4.480 -0.000 0.000 0.266 748 M C 2.249 178.564 176.300 0.025 0.000 1.072 748 M CA 1.724 57.050 55.300 0.044 0.000 1.132 748 M CB -0.337 32.290 32.600 0.046 0.000 1.386 748 M HN 0.389 nan 8.290 nan 0.000 0.432 749 A N -0.321 122.509 122.820 0.016 0.000 1.975 749 A HA 0.288 4.608 4.320 -0.000 0.000 0.215 749 A C 1.817 179.405 177.584 0.007 0.000 1.170 749 A CA 1.252 53.287 52.037 -0.004 0.000 0.656 749 A CB -0.577 18.404 19.000 -0.032 0.000 0.821 749 A HN 0.599 nan 8.150 nan 0.000 0.449 750 G N -0.772 108.041 108.800 0.023 0.000 2.157 750 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.239 750 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.239 750 G C 1.062 175.980 174.900 0.031 0.000 0.982 750 G CA 1.160 46.278 45.100 0.030 0.000 0.650 750 G HN 1.433 nan 8.290 nan 0.000 0.527 751 S N -1.222 114.494 115.700 0.027 0.000 2.515 751 S HA 0.444 4.914 4.470 -0.000 0.000 0.231 751 S C 0.800 175.427 174.600 0.045 0.000 0.987 751 S CA 1.416 59.635 58.200 0.031 0.000 0.936 751 S CB 0.488 63.697 63.200 0.015 0.000 0.766 751 S HN 0.492 nan 8.310 nan 0.000 0.528 752 K N -0.289 120.142 120.400 0.053 0.000 2.801 752 K HA 0.437 4.757 4.320 -0.000 0.000 0.287 752 K C -0.202 176.436 176.600 0.064 0.000 1.084 752 K CA 0.384 56.705 56.287 0.058 0.000 0.901 752 K CB 0.828 33.368 32.500 0.066 0.000 1.405 752 K HN 0.603 nan 8.250 nan 0.000 0.378 753 G N 1.419 110.255 108.800 0.060 0.000 2.880 753 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.686 753 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.686 753 G C -0.344 174.601 174.900 0.075 0.000 1.505 753 G CA 0.137 45.275 45.100 0.064 0.000 1.057 753 G HN 1.135 nan 8.290 nan 0.000 0.599 754 S N 1.332 117.083 115.700 0.086 0.000 2.806 754 S HA 0.766 5.236 4.470 -0.000 0.000 0.306 754 S C 0.884 175.577 174.600 0.156 0.000 1.167 754 S CA 0.220 58.492 58.200 0.121 0.000 0.847 754 S CB 1.390 64.665 63.200 0.125 0.000 1.216 754 S HN 1.748 nan 8.310 nan 0.000 0.532 755 F N 1.608 121.580 119.950 0.036 0.000 2.117 755 F HA -0.277 4.250 4.527 -0.000 0.000 0.297 755 F C 2.076 177.899 175.800 0.038 0.000 1.185 755 F CA 2.313 60.334 58.000 0.035 0.000 1.242 755 F CB -0.675 38.343 39.000 0.031 0.000 0.931 755 F HN 0.504 nan 8.300 nan 0.000 0.540 756 I N 0.785 121.373 120.570 0.029 0.000 2.161 756 I HA -0.468 3.702 4.170 -0.000 0.000 0.246 756 I C 2.324 178.380 176.117 -0.102 0.000 1.048 756 I CA 2.057 63.304 61.300 -0.088 0.000 1.314 756 I CB -1.747 36.307 38.000 0.090 0.000 1.014 756 I HN 0.433 nan 8.210 nan 0.000 0.418 757 N N 0.929 119.620 118.700 -0.014 0.000 2.021 757 N HA -0.219 4.521 4.740 -0.000 0.000 0.198 757 N C 1.897 177.393 175.510 -0.022 0.000 1.041 757 N CA 1.987 55.045 53.050 0.013 0.000 0.862 757 N CB -0.377 38.133 38.487 0.039 0.000 1.048 757 N HN 0.379 nan 8.380 nan 0.000 0.427 758 I N 1.503 122.034 120.570 -0.064 0.000 2.163 758 I HA -0.276 3.894 4.170 -0.000 0.000 0.243 758 I C 2.502 178.544 176.117 -0.125 0.000 1.085 758 I CA 1.352 62.607 61.300 -0.075 0.000 1.347 758 I CB -0.540 37.408 38.000 -0.085 0.000 1.044 758 I HN 0.070 nan 8.210 nan 0.000 0.408 759 A N 0.446 123.116 122.820 -0.251 0.000 1.859 759 A HA -0.330 3.990 4.320 -0.000 0.000 0.218 759 A C 2.300 179.782 177.584 -0.170 0.000 1.209 759 A CA 2.181 54.054 52.037 -0.272 0.000 0.639 759 A CB -0.993 17.753 19.000 -0.425 0.000 0.835 759 A HN 0.544 nan 8.150 nan 0.000 0.450 760 Q N -1.355 118.362 119.800 -0.139 0.000 2.439 760 Q HA -0.066 4.274 4.340 -0.000 0.000 0.211 760 Q C 1.946 177.873 176.000 -0.122 0.000 0.978 760 Q CA 1.273 56.977 55.803 -0.166 0.000 0.897 760 Q CB -0.187 28.502 28.738 -0.083 0.000 0.956 760 Q HN 0.772 nan 8.270 nan 0.000 0.483 761 M N -1.840 117.771 119.600 0.018 0.000 2.718 761 M HA 0.014 4.494 4.480 -0.000 0.000 0.259 761 M C 1.896 178.208 176.300 0.020 0.000 1.240 761 M CA 0.741 56.108 55.300 0.111 0.000 1.210 761 M CB 0.500 33.177 32.600 0.129 0.000 1.281 761 M HN -0.032 nan 8.290 nan 0.000 0.515 762 S N 0.514 116.202 115.700 -0.020 0.000 2.441 762 S HA 0.244 4.714 4.470 -0.000 0.000 0.224 762 S C 1.617 176.189 174.600 -0.047 0.000 1.043 762 S CA 0.635 58.819 58.200 -0.027 0.000 0.948 762 S CB 0.040 63.225 63.200 -0.024 0.000 0.810 762 S HN 0.417 nan 8.310 nan 0.000 0.504 763 A N 0.494 123.269 122.820 -0.075 0.000 3.272 763 A HA 0.503 4.823 4.320 -0.000 0.000 0.201 763 A C 0.769 178.292 177.584 -0.101 0.000 2.039 763 A CA 0.328 52.319 52.037 -0.077 0.000 0.955 763 A CB -0.720 18.229 19.000 -0.085 0.000 1.292 763 A HN 0.533 nan 8.150 nan 0.000 0.453 764 C N -1.055 118.169 119.300 -0.127 0.000 2.482 764 C HA 0.599 5.059 4.460 -0.000 0.000 0.317 764 C C 1.644 176.482 174.990 -0.254 0.000 1.197 764 C CA -0.349 58.564 59.018 -0.175 0.000 1.432 764 C CB 0.418 28.096 27.740 -0.105 0.000 2.062 764 C HN 0.611 nan 8.230 nan 0.000 0.471 765 V N 5.116 124.801 119.914 -0.383 0.000 2.246 765 V HA 0.283 4.403 4.120 -0.000 0.000 0.237 765 V C 1.595 177.489 176.094 -0.332 0.000 1.025 765 V CA 2.433 64.457 62.300 -0.460 0.000 0.993 765 V CB -1.165 30.294 31.823 -0.607 0.000 0.642 765 V HN 1.525 nan 8.190 nan 0.000 0.466 766 G N -1.349 107.199 108.800 -0.420 0.000 2.352 766 G HA2 0.325 4.285 3.960 -0.000 0.000 0.302 766 G HA3 0.325 4.285 3.960 -0.000 0.000 0.302 766 G C -1.477 173.274 174.900 -0.248 0.000 1.370 766 G CA -0.205 44.735 45.100 -0.266 0.000 0.918 766 G HN 0.444 nan 8.290 nan 0.000 0.610 767 Q N 0.290 120.146 119.800 0.093 0.000 2.323 767 Q HA 0.554 4.894 4.340 -0.000 0.000 0.257 767 Q C 0.272 176.348 176.000 0.125 0.000 1.022 767 Q CA -0.074 55.880 55.803 0.252 0.000 0.919 767 Q CB 0.905 29.880 28.738 0.394 0.000 1.220 767 Q HN 0.479 nan 8.270 nan 0.000 0.427 768 Q N 1.827 121.695 119.800 0.115 0.000 2.337 768 Q HA 0.380 4.720 4.340 -0.000 0.000 0.270 768 Q C -0.866 175.169 176.000 0.058 0.000 1.002 768 Q CA 0.334 56.202 55.803 0.110 0.000 0.888 768 Q CB 0.978 29.817 28.738 0.168 0.000 1.222 768 Q HN 0.781 nan 8.270 nan 0.000 0.400 769 S N 0.575 116.296 115.700 0.035 0.000 2.595 769 S HA 0.863 5.333 4.470 -0.000 0.000 0.281 769 S C -1.312 173.277 174.600 -0.018 0.000 1.117 769 S CA -0.831 57.367 58.200 -0.003 0.000 0.873 769 S CB 1.493 64.692 63.200 -0.002 0.000 1.108 769 S HN 0.243 nan 8.310 nan 0.000 0.477 770 V N 2.030 121.922 119.914 -0.037 0.000 2.524 770 V HA 0.538 4.658 4.120 -0.000 0.000 0.297 770 V C -0.269 175.800 176.094 -0.042 0.000 1.035 770 V CA -0.630 61.645 62.300 -0.040 0.000 0.867 770 V CB 0.618 32.412 31.823 -0.049 0.000 1.004 770 V HN 1.155 nan 8.190 nan 0.000 0.426 771 E N 3.362 123.542 120.200 -0.033 0.000 2.791 771 E HA -0.297 4.053 4.350 -0.000 0.000 0.271 771 E C 1.298 177.878 176.600 -0.033 0.000 1.044 771 E CA 0.801 57.182 56.400 -0.031 0.000 0.814 771 E CB -1.313 28.367 29.700 -0.033 0.000 1.400 771 E HN 1.567 nan 8.360 nan 0.000 0.423 772 G N -0.021 108.760 108.800 -0.031 0.000 2.579 772 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.222 772 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.222 772 G C 0.268 175.140 174.900 -0.047 0.000 1.201 772 G CA 0.456 45.537 45.100 -0.032 0.000 0.710 772 G HN 0.236 nan 8.290 nan 0.000 0.516 773 K N 2.415 122.778 120.400 -0.062 0.000 2.350 773 K HA 0.458 4.778 4.320 -0.000 0.000 0.279 773 K C 0.969 177.510 176.600 -0.100 0.000 1.027 773 K CA -0.461 55.772 56.287 -0.090 0.000 0.969 773 K CB 0.642 33.082 32.500 -0.100 0.000 0.954 773 K HN 0.489 nan 8.250 nan 0.000 0.474 774 R N 1.823 122.251 120.500 -0.120 0.000 2.861 774 R HA 0.032 4.372 4.340 -0.000 0.000 0.268 774 R C 0.625 176.828 176.300 -0.162 0.000 1.027 774 R CA -0.566 55.462 56.100 -0.120 0.000 1.163 774 R CB -0.030 30.192 30.300 -0.130 0.000 1.060 774 R HN 0.474 nan 8.270 nan 0.000 0.483 775 I N 1.079 121.543 120.570 -0.178 0.000 3.087 775 I HA -0.210 3.960 4.170 -0.000 0.000 0.318 775 I C 1.114 177.104 176.117 -0.213 0.000 1.209 775 I CA 0.828 61.998 61.300 -0.218 0.000 1.460 775 I CB -0.750 36.995 38.000 -0.426 0.000 1.306 775 I HN 0.762 nan 8.210 nan 0.000 0.560 776 A N 7.225 129.955 122.820 -0.149 0.000 2.580 776 A HA 0.615 4.935 4.320 -0.000 0.000 0.275 776 A C -0.121 177.515 177.584 0.088 0.000 1.321 776 A CA -0.544 51.401 52.037 -0.153 0.000 0.924 776 A CB 0.492 19.419 19.000 -0.121 0.000 1.512 776 A HN 0.594 nan 8.150 nan 0.000 0.492 777 F N 0.747 120.662 119.950 -0.058 0.000 2.509 777 F HA 0.261 4.788 4.527 -0.000 0.000 0.344 777 F C 1.662 177.479 175.800 0.030 0.000 1.197 777 F CA -0.303 57.700 58.000 0.004 0.000 1.294 777 F CB 0.441 39.452 39.000 0.019 0.000 1.643 777 F HN 0.743 nan 8.300 nan 0.000 0.596 778 G N 1.021 109.916 108.800 0.159 0.000 2.534 778 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.217 778 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.217 778 G C 0.388 175.364 174.900 0.126 0.000 1.128 778 G CA 0.075 45.207 45.100 0.053 0.000 0.784 778 G HN 0.426 nan 8.290 nan 0.000 0.542 779 F N 1.662 121.648 119.950 0.060 0.000 2.293 779 F HA 0.279 4.806 4.527 -0.000 0.000 0.370 779 F C 0.416 176.196 175.800 -0.035 0.000 1.090 779 F CA -1.209 56.793 58.000 0.004 0.000 1.133 779 F CB 1.646 40.631 39.000 -0.024 0.000 1.360 779 F HN -0.286 nan 8.300 nan 0.000 0.489 780 V N 5.503 125.527 119.914 0.184 0.000 3.417 780 V HA -0.313 3.807 4.120 -0.000 0.000 0.269 780 V C 0.247 176.316 176.094 -0.042 0.000 1.071 780 V CA 1.087 63.432 62.300 0.074 0.000 1.170 780 V CB -1.283 30.565 31.823 0.041 0.000 0.707 780 V HN 0.873 nan 8.190 nan 0.000 0.388 781 D N 2.927 123.264 120.400 -0.105 0.000 2.718 781 D HA -0.171 4.469 4.640 -0.000 0.000 0.242 781 D C 0.409 176.065 176.300 -1.072 0.000 1.123 781 D CA 1.561 55.266 54.000 -0.492 0.000 0.690 781 D CB -0.263 40.446 40.800 -0.151 0.000 1.059 781 D HN 1.072 nan 8.370 nan 0.000 0.429 782 R N -4.054 115.626 120.500 -1.367 0.000 3.110 782 R HA 0.273 4.613 4.340 -0.000 0.000 0.287 782 R C 0.189 176.493 176.300 0.006 0.000 0.969 782 R CA -0.765 54.890 56.100 -0.742 0.000 0.828 782 R CB -0.072 30.119 30.300 -0.180 0.000 1.354 782 R HN -0.175 nan 8.270 nan 0.000 0.524 783 T N 0.619 115.360 114.554 0.311 0.000 2.824 783 T HA 0.244 4.594 4.350 -0.000 0.000 0.238 783 T C 0.860 175.729 174.700 0.282 0.000 1.067 783 T CA 0.669 62.973 62.100 0.339 0.000 1.286 783 T CB -0.151 68.992 68.868 0.458 0.000 0.980 783 T HN 0.277 nan 8.240 nan 0.000 0.414 784 L N 1.365 122.717 121.223 0.215 0.000 2.335 784 L HA 0.357 4.697 4.340 -0.000 0.000 0.268 784 L C -1.497 175.436 176.870 0.105 0.000 1.016 784 L CA -2.314 52.563 54.840 0.062 0.000 0.805 784 L CB 0.898 42.656 42.059 -0.501 0.000 1.311 784 L HN 0.047 nan 8.230 nan 0.000 0.456 785 P HA -0.109 nan 4.420 nan 0.000 0.233 785 P C 0.672 178.016 177.300 0.075 0.000 1.167 785 P CA 1.189 64.231 63.100 -0.097 0.000 0.770 785 P CB -0.079 31.515 31.700 -0.176 0.000 0.837 786 H N -1.424 117.528 119.070 -0.196 0.000 2.572 786 H HA 0.217 4.773 4.556 -0.000 0.000 0.278 786 H C 0.266 175.547 175.328 -0.078 0.000 1.050 786 H CA -0.386 55.533 56.048 -0.214 0.000 1.168 786 H CB -0.560 28.987 29.762 -0.358 0.000 1.316 786 H HN 0.204 nan 8.280 nan 0.000 0.610 787 F N -0.018 120.016 119.950 0.140 0.000 2.576 787 F HA 0.273 4.800 4.527 -0.000 0.000 0.313 787 F C 0.099 175.919 175.800 0.033 0.000 1.078 787 F CA -1.442 56.615 58.000 0.095 0.000 0.921 787 F CB 2.063 41.128 39.000 0.108 0.000 1.232 787 F HN -0.123 nan 8.300 nan 0.000 0.459 788 S N 2.388 118.228 115.700 0.234 0.000 2.505 788 S HA 0.161 4.631 4.470 -0.000 0.000 0.276 788 S C -0.106 174.524 174.600 0.051 0.000 1.274 788 S CA -0.777 57.484 58.200 0.102 0.000 1.053 788 S CB 0.601 63.847 63.200 0.077 0.000 0.919 788 S HN 0.417 nan 8.310 nan 0.000 0.490 789 K N 1.874 122.273 120.400 -0.002 0.000 2.505 789 K HA -0.105 4.215 4.320 -0.000 0.000 0.272 789 K C -0.081 176.506 176.600 -0.021 0.000 0.963 789 K CA 0.570 56.812 56.287 -0.075 0.000 0.932 789 K CB -0.058 32.406 32.500 -0.061 0.000 0.924 789 K HN 0.618 nan 8.250 nan 0.000 0.520 790 D N 0.611 120.989 120.400 -0.037 0.000 2.692 790 D HA -0.184 4.456 4.640 -0.000 0.000 0.233 790 D C -0.757 175.768 176.300 0.375 0.000 1.172 790 D CA 0.984 55.148 54.000 0.273 0.000 0.636 790 D CB -0.714 40.204 40.800 0.196 0.000 1.028 790 D HN 0.398 nan 8.370 nan 0.000 0.419 791 D N -0.111 120.473 120.400 0.307 0.000 2.454 791 D HA 0.104 4.744 4.640 -0.000 0.000 0.225 791 D C 0.018 176.549 176.300 0.386 0.000 1.081 791 D CA -0.522 53.630 54.000 0.254 0.000 0.864 791 D CB 0.314 41.120 40.800 0.010 0.000 1.040 791 D HN 0.136 nan 8.370 nan 0.000 0.517 792 Y N 1.202 121.617 120.300 0.191 0.000 2.466 792 Y HA 0.016 4.566 4.550 -0.000 0.000 0.272 792 Y C 1.588 177.558 175.900 0.116 0.000 1.169 792 Y CA -0.313 57.907 58.100 0.200 0.000 1.285 792 Y CB -0.246 38.389 38.460 0.292 0.000 1.078 792 Y HN 0.266 nan 8.280 nan 0.000 0.523 793 S N 1.821 117.637 115.700 0.193 0.000 2.566 793 S HA -0.017 4.453 4.470 -0.000 0.000 0.280 793 S C -1.229 173.402 174.600 0.051 0.000 1.343 793 S CA -0.947 57.314 58.200 0.100 0.000 1.036 793 S CB 0.973 64.198 63.200 0.042 0.000 0.866 793 S HN 0.107 nan 8.310 nan 0.000 0.526 794 P HA -0.165 nan 4.420 nan 0.000 0.216 794 P C 0.616 178.018 177.300 0.170 0.000 1.150 794 P CA 1.505 64.627 63.100 0.037 0.000 0.843 794 P CB -0.132 31.503 31.700 -0.108 0.000 0.787 795 E N -0.521 119.771 120.200 0.154 0.000 2.533 795 E HA -0.027 4.323 4.350 -0.000 0.000 0.201 795 E C 1.940 178.684 176.600 0.241 0.000 1.097 795 E CA 0.605 57.143 56.400 0.231 0.000 0.887 795 E CB -0.484 29.317 29.700 0.167 0.000 0.855 795 E HN 0.270 nan 8.360 nan 0.000 0.540 796 S N -0.597 115.164 115.700 0.101 0.000 2.741 796 S HA 0.074 4.544 4.470 -0.000 0.000 0.245 796 S C 1.368 176.044 174.600 0.126 0.000 1.083 796 S CA -0.238 57.995 58.200 0.054 0.000 0.873 796 S CB 0.272 63.246 63.200 -0.376 0.000 0.814 796 S HN -0.089 nan 8.310 nan 0.000 0.476 797 K N 1.675 122.089 120.400 0.024 0.000 2.505 797 K HA 0.248 4.568 4.320 -0.000 0.000 0.192 797 K C 0.727 177.242 176.600 -0.142 0.000 1.025 797 K CA 0.673 56.897 56.287 -0.106 0.000 1.086 797 K CB -0.101 32.328 32.500 -0.119 0.000 0.840 797 K HN 0.589 nan 8.250 nan 0.000 0.514 798 G N 1.935 110.728 108.800 -0.012 0.000 2.683 798 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.234 798 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.234 798 G C -0.814 174.290 174.900 0.340 0.000 1.135 798 G CA -0.605 44.604 45.100 0.182 0.000 0.975 798 G HN 0.247 nan 8.290 nan 0.000 0.511 799 F N 2.012 122.098 119.950 0.226 0.000 2.359 799 F HA 0.570 5.097 4.527 -0.000 0.000 0.369 799 F C 0.337 176.214 175.800 0.129 0.000 1.084 799 F CA -1.135 56.945 58.000 0.133 0.000 1.096 799 F CB 1.450 40.503 39.000 0.087 0.000 1.335 799 F HN 0.124 nan 8.300 nan 0.000 0.457 800 V N 6.985 126.690 119.914 -0.348 0.000 2.403 800 V HA -0.023 4.097 4.120 -0.000 0.000 0.265 800 V C 1.295 176.995 176.094 -0.657 0.000 1.034 800 V CA 0.451 62.541 62.300 -0.350 0.000 1.036 800 V CB 0.719 32.361 31.823 -0.301 0.000 1.032 800 V HN 0.878 nan 8.190 nan 0.000 0.478 801 E N 4.513 124.485 120.200 -0.380 0.000 2.158 801 E HA -0.065 4.285 4.350 -0.000 0.000 0.191 801 E C 0.999 177.496 176.600 -0.171 0.000 0.982 801 E CA 0.225 56.482 56.400 -0.238 0.000 0.823 801 E CB 0.322 30.076 29.700 0.090 0.000 0.766 801 E HN 0.775 nan 8.360 nan 0.000 0.468 802 N N 0.777 119.384 118.700 -0.156 0.000 2.294 802 N HA 0.018 4.758 4.740 -0.000 0.000 0.248 802 N C -0.200 175.184 175.510 -0.210 0.000 1.300 802 N CA 0.519 53.490 53.050 -0.131 0.000 0.925 802 N CB 1.043 39.478 38.487 -0.087 0.000 1.188 802 N HN 0.061 nan 8.380 nan 0.000 0.512 803 S N -1.316 114.285 115.700 -0.165 0.000 2.568 803 S HA 0.333 4.803 4.470 -0.000 0.000 0.302 803 S C 0.735 175.250 174.600 -0.142 0.000 1.082 803 S CA -0.782 57.296 58.200 -0.204 0.000 1.009 803 S CB 0.698 63.832 63.200 -0.110 0.000 1.069 803 S HN 0.543 nan 8.310 nan 0.000 0.500 804 Y N 0.162 120.426 120.300 -0.060 0.000 2.365 804 Y HA -0.141 4.409 4.550 -0.000 0.000 0.287 804 Y C 2.099 177.983 175.900 -0.027 0.000 1.162 804 Y CA 0.636 58.713 58.100 -0.039 0.000 1.260 804 Y CB -0.120 38.321 38.460 -0.031 0.000 0.976 804 Y HN 0.607 nan 8.280 nan 0.000 0.548 805 L N 0.282 121.565 121.223 0.101 0.000 2.056 805 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 805 L C 2.151 179.041 176.870 0.033 0.000 1.078 805 L CA 1.621 56.493 54.840 0.054 0.000 0.749 805 L CB -0.391 41.683 42.059 0.025 0.000 0.901 805 L HN 0.016 nan 8.230 nan 0.000 0.433 806 R N -0.467 120.043 120.500 0.016 0.000 2.052 806 R HA 0.365 4.705 4.340 -0.000 0.000 0.224 806 R C 0.370 176.678 176.300 0.013 0.000 1.149 806 R CA 0.696 56.799 56.100 0.005 0.000 0.962 806 R CB -0.385 29.907 30.300 -0.013 0.000 0.856 806 R HN 0.446 nan 8.270 nan 0.000 0.433 807 G N 0.541 109.353 108.800 0.020 0.000 2.885 807 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.685 807 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.685 807 G C -1.151 173.761 174.900 0.019 0.000 1.216 807 G CA -1.105 44.018 45.100 0.038 0.000 0.790 807 G HN -0.023 nan 8.290 nan 0.000 0.631 808 L N 1.452 122.707 121.223 0.053 0.000 2.473 808 L HA 0.636 4.976 4.340 -0.000 0.000 0.268 808 L C 1.835 178.729 176.870 0.041 0.000 1.215 808 L CA 0.629 55.505 54.840 0.060 0.000 0.823 808 L CB 0.714 42.878 42.059 0.175 0.000 1.099 808 L HN 1.015 nan 8.230 nan 0.000 0.483 809 T N -1.722 112.858 114.554 0.043 0.000 2.927 809 T HA 0.396 4.746 4.350 -0.000 0.000 0.281 809 T C -1.957 172.773 174.700 0.049 0.000 0.998 809 T CA -1.828 60.288 62.100 0.027 0.000 1.019 809 T CB 1.218 70.104 68.868 0.031 0.000 1.061 809 T HN 0.389 nan 8.240 nan 0.000 0.518 810 P HA -0.152 nan 4.420 nan 0.000 0.217 810 P C 1.357 178.667 177.300 0.016 0.000 1.151 810 P CA 1.340 64.480 63.100 0.067 0.000 0.849 810 P CB 0.058 31.787 31.700 0.049 0.000 0.787 811 Q N -0.713 118.999 119.800 -0.146 0.000 2.036 811 Q HA -0.080 4.260 4.340 -0.000 0.000 0.195 811 Q C 2.170 177.733 176.000 -0.728 0.000 0.971 811 Q CA 1.118 56.584 55.803 -0.560 0.000 0.826 811 Q CB -0.790 27.674 28.738 -0.456 0.000 0.896 811 Q HN 0.300 nan 8.270 nan 0.000 0.449 812 E N 0.216 120.244 120.200 -0.286 0.000 2.086 812 E HA -0.247 4.103 4.350 -0.000 0.000 0.200 812 E C 1.725 178.345 176.600 0.034 0.000 1.012 812 E CA 1.290 57.638 56.400 -0.087 0.000 0.812 812 E CB -0.276 29.432 29.700 0.013 0.000 0.743 812 E HN 0.226 nan 8.360 nan 0.000 0.453 813 F N 0.660 120.579 119.950 -0.052 0.000 2.069 813 F HA -0.223 4.303 4.527 -0.000 0.000 0.298 813 F C 2.082 177.944 175.800 0.103 0.000 1.113 813 F CA 1.510 59.543 58.000 0.056 0.000 1.214 813 F CB -0.483 38.547 39.000 0.049 0.000 0.978 813 F HN -0.036 nan 8.300 nan 0.000 0.474 814 F N -0.278 119.591 119.950 -0.136 0.000 2.234 814 F HA -0.164 4.363 4.527 -0.000 0.000 0.299 814 F C 1.986 177.809 175.800 0.038 0.000 1.087 814 F CA 1.406 59.316 58.000 -0.149 0.000 1.340 814 F CB -0.484 38.475 39.000 -0.068 0.000 1.031 814 F HN 0.012 nan 8.300 nan 0.000 0.500 815 F N -1.410 118.660 119.950 0.199 0.000 2.098 815 F HA -0.208 4.319 4.527 -0.000 0.000 0.294 815 F C 2.578 178.390 175.800 0.020 0.000 1.107 815 F CA 0.876 58.956 58.000 0.133 0.000 1.234 815 F CB -0.853 38.248 39.000 0.169 0.000 1.002 815 F HN 0.008 nan 8.300 nan 0.000 0.472 816 H N 0.869 119.996 119.070 0.094 0.000 2.390 816 H HA -0.167 4.389 4.556 -0.000 0.000 0.298 816 H C 2.001 177.243 175.328 -0.143 0.000 1.106 816 H CA 1.300 57.336 56.048 -0.020 0.000 1.297 816 H CB -0.400 29.348 29.762 -0.025 0.000 1.375 816 H HN 0.199 nan 8.280 nan 0.000 0.509 817 A N 0.581 123.202 122.820 -0.331 0.000 1.841 817 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 817 A C 2.598 179.948 177.584 -0.390 0.000 1.199 817 A CA 2.105 53.838 52.037 -0.507 0.000 0.621 817 A CB -0.880 17.687 19.000 -0.722 0.000 0.835 817 A HN 0.517 nan 8.150 nan 0.000 0.445 818 M N -0.523 118.863 119.600 -0.358 0.000 2.108 818 M HA -0.173 4.307 4.480 -0.000 0.000 0.257 818 M C 2.178 178.390 176.300 -0.147 0.000 1.071 818 M CA 1.669 56.828 55.300 -0.234 0.000 1.093 818 M CB -0.670 31.867 32.600 -0.105 0.000 1.345 818 M HN 0.525 nan 8.290 nan 0.000 0.403 819 G N -0.675 108.062 108.800 -0.105 0.000 2.464 819 G HA2 0.027 3.987 3.960 -0.000 0.000 0.217 819 G HA3 0.027 3.987 3.960 -0.000 0.000 0.217 819 G C 1.486 176.315 174.900 -0.119 0.000 1.138 819 G CA 0.730 45.788 45.100 -0.069 0.000 0.793 819 G HN 0.563 nan 8.290 nan 0.000 0.539 820 G N 1.020 109.680 108.800 -0.234 0.000 2.395 820 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.214 820 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.214 820 G C 1.793 176.582 174.900 -0.184 0.000 1.177 820 G CA 1.003 45.945 45.100 -0.263 0.000 0.794 820 G HN 0.465 nan 8.290 nan 0.000 0.532 821 R N 1.028 121.408 120.500 -0.199 0.000 2.140 821 R HA -0.171 4.169 4.340 -0.000 0.000 0.250 821 R C 2.153 178.387 176.300 -0.109 0.000 1.150 821 R CA 2.341 58.348 56.100 -0.156 0.000 0.966 821 R CB -0.818 29.377 30.300 -0.174 0.000 0.869 821 R HN 0.498 nan 8.270 nan 0.000 0.445 822 E N -0.918 119.223 120.200 -0.098 0.000 2.038 822 E HA -0.151 4.199 4.350 -0.000 0.000 0.195 822 E C 1.891 178.457 176.600 -0.057 0.000 1.000 822 E CA 1.438 57.797 56.400 -0.068 0.000 0.803 822 E CB -0.563 29.104 29.700 -0.056 0.000 0.750 822 E HN 0.586 nan 8.360 nan 0.000 0.448 823 G N 1.587 110.351 108.800 -0.060 0.000 2.529 823 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.219 823 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.219 823 G C 1.578 176.450 174.900 -0.047 0.000 1.177 823 G CA 1.052 46.124 45.100 -0.046 0.000 0.773 823 G HN 0.251 nan 8.290 nan 0.000 0.573 824 L N -0.021 121.166 121.223 -0.060 0.000 2.456 824 L HA 0.065 4.405 4.340 -0.000 0.000 0.224 824 L C 2.627 179.470 176.870 -0.046 0.000 1.148 824 L CA 0.118 54.925 54.840 -0.054 0.000 0.825 824 L CB -0.257 41.762 42.059 -0.066 0.000 0.937 824 L HN 0.270 nan 8.230 nan 0.000 0.450 825 I N 0.363 120.905 120.570 -0.047 0.000 2.272 825 I HA -0.218 3.952 4.170 -0.000 0.000 0.235 825 I C 2.194 178.293 176.117 -0.029 0.000 1.071 825 I CA 1.304 62.581 61.300 -0.038 0.000 1.374 825 I CB -0.265 37.710 38.000 -0.040 0.000 1.121 825 I HN 0.315 nan 8.210 nan 0.000 0.420 826 D N -0.282 120.102 120.400 -0.027 0.000 2.221 826 D HA -0.216 4.424 4.640 -0.000 0.000 0.204 826 D C 1.827 178.116 176.300 -0.018 0.000 0.982 826 D CA 1.487 55.475 54.000 -0.020 0.000 0.857 826 D CB -0.921 39.868 40.800 -0.017 0.000 0.934 826 D HN 0.114 nan 8.370 nan 0.000 0.475 827 T N -0.903 113.637 114.554 -0.022 0.000 2.849 827 T HA -0.059 4.291 4.350 -0.000 0.000 0.270 827 T C 1.796 176.484 174.700 -0.019 0.000 1.066 827 T CA 1.561 63.648 62.100 -0.021 0.000 1.130 827 T CB -0.335 68.518 68.868 -0.025 0.000 0.864 827 T HN 0.454 nan 8.240 nan 0.000 0.481 828 A N -0.254 122.554 122.820 -0.020 0.000 2.195 828 A HA 0.290 4.610 4.320 -0.000 0.000 0.210 828 A C 2.121 179.698 177.584 -0.012 0.000 1.165 828 A CA 0.266 52.293 52.037 -0.017 0.000 0.806 828 A CB 0.206 19.194 19.000 -0.020 0.000 0.847 828 A HN 0.391 nan 8.150 nan 0.000 0.482 829 V N -1.011 118.897 119.914 -0.011 0.000 3.263 829 V HA 0.072 4.192 4.120 -0.000 0.000 0.248 829 V C 1.842 177.937 176.094 0.002 0.000 1.145 829 V CA 1.328 63.625 62.300 -0.005 0.000 1.107 829 V CB -0.077 31.743 31.823 -0.006 0.000 0.797 829 V HN 0.345 nan 8.190 nan 0.000 0.467 830 K N -0.094 120.305 120.400 -0.003 0.000 2.505 830 K HA 0.067 4.387 4.320 -0.000 0.000 0.192 830 K C 1.686 178.284 176.600 -0.003 0.000 1.025 830 K CA 0.683 56.969 56.287 -0.001 0.000 1.086 830 K CB 0.032 32.528 32.500 -0.007 0.000 0.840 830 K HN 0.357 nan 8.250 nan 0.000 0.514 831 T N -2.165 112.388 114.554 -0.003 0.000 2.964 831 T HA 0.289 4.639 4.350 -0.000 0.000 0.249 831 T C 1.277 175.979 174.700 0.004 0.000 1.000 831 T CA 0.522 62.619 62.100 -0.006 0.000 0.992 831 T CB 0.275 69.135 68.868 -0.012 0.000 1.087 831 T HN 0.141 nan 8.240 nan 0.000 0.489 832 A N 0.428 123.254 122.820 0.010 0.000 2.063 832 A HA 0.326 4.646 4.320 -0.000 0.000 0.211 832 A C 1.896 179.508 177.584 0.047 0.000 1.177 832 A CA 0.901 52.951 52.037 0.020 0.000 0.759 832 A CB -0.226 18.779 19.000 0.008 0.000 0.857 832 A HN 0.535 nan 8.150 nan 0.000 0.468 833 E N -0.881 119.348 120.200 0.048 0.000 2.230 833 E HA -0.072 4.278 4.350 -0.000 0.000 0.192 833 E C 1.777 178.434 176.600 0.096 0.000 0.987 833 E CA 1.036 57.487 56.400 0.085 0.000 0.841 833 E CB 0.020 29.760 29.700 0.065 0.000 0.783 833 E HN 0.423 nan 8.360 nan 0.000 0.481 834 T N -0.598 113.986 114.554 0.049 0.000 2.788 834 T HA -0.105 4.245 4.350 -0.000 0.000 0.268 834 T C 1.580 176.298 174.700 0.029 0.000 1.044 834 T CA 1.300 63.415 62.100 0.025 0.000 1.139 834 T CB -0.409 68.459 68.868 -0.001 0.000 0.867 834 T HN 0.400 nan 8.240 nan 0.000 0.454 835 G N -0.641 108.187 108.800 0.046 0.000 2.422 835 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.218 835 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.218 835 G C 1.353 176.313 174.900 0.100 0.000 1.146 835 G CA 0.806 45.936 45.100 0.050 0.000 0.769 835 G HN 0.541 nan 8.290 nan 0.000 0.547 836 Y N 1.260 121.566 120.300 0.009 0.000 2.133 836 Y HA 0.040 4.590 4.550 -0.000 0.000 0.287 836 Y C 2.600 178.519 175.900 0.032 0.000 1.134 836 Y CA 0.817 58.937 58.100 0.034 0.000 1.133 836 Y CB -0.411 38.079 38.460 0.050 0.000 0.987 836 Y HN 0.155 nan 8.280 nan 0.000 0.502 837 I N 0.314 120.841 120.570 -0.073 0.000 2.315 837 I HA -0.371 3.799 4.170 -0.000 0.000 0.251 837 I C 2.631 178.652 176.117 -0.159 0.000 1.125 837 I CA 1.570 62.775 61.300 -0.158 0.000 1.392 837 I CB -0.449 37.526 38.000 -0.041 0.000 1.065 837 I HN 0.401 nan 8.210 nan 0.000 0.424 838 Q N 1.320 121.058 119.800 -0.103 0.000 1.942 838 Q HA -0.260 4.080 4.340 -0.000 0.000 0.203 838 Q C 2.345 178.257 176.000 -0.147 0.000 0.987 838 Q CA 1.784 57.524 55.803 -0.105 0.000 0.844 838 Q CB -0.359 28.337 28.738 -0.071 0.000 0.911 838 Q HN 0.392 nan 8.270 nan 0.000 0.423 839 R N 0.102 120.523 120.500 -0.131 0.000 2.133 839 R HA -0.229 4.111 4.340 -0.000 0.000 0.245 839 R C 2.457 178.580 176.300 -0.294 0.000 1.137 839 R CA 2.194 58.196 56.100 -0.163 0.000 0.947 839 R CB -0.177 30.081 30.300 -0.070 0.000 0.865 839 R HN 0.231 nan 8.270 nan 0.000 0.437 840 R N 0.286 120.562 120.500 -0.374 0.000 2.122 840 R HA -0.191 4.149 4.340 -0.000 0.000 0.236 840 R C 2.498 178.586 176.300 -0.353 0.000 1.129 840 R CA 2.265 58.117 56.100 -0.413 0.000 0.925 840 R CB -0.841 29.261 30.300 -0.330 0.000 0.850 840 R HN 0.274 nan 8.270 nan 0.000 0.431 841 L N 0.456 121.523 121.223 -0.261 0.000 2.123 841 L HA -0.296 4.044 4.340 -0.000 0.000 0.217 841 L C 2.375 179.084 176.870 -0.269 0.000 1.081 841 L CA 1.295 55.995 54.840 -0.233 0.000 0.772 841 L CB -0.543 41.418 42.059 -0.164 0.000 0.890 841 L HN 0.153 nan 8.230 nan 0.000 0.437 842 V N -0.915 118.841 119.914 -0.263 0.000 2.283 842 V HA -0.194 3.925 4.120 -0.000 0.000 0.243 842 V C 2.423 178.340 176.094 -0.296 0.000 1.039 842 V CA 1.408 63.563 62.300 -0.241 0.000 1.016 842 V CB -0.400 31.307 31.823 -0.193 0.000 0.650 842 V HN 0.335 nan 8.190 nan 0.000 0.449 843 K N 0.415 120.587 120.400 -0.380 0.000 2.280 843 K HA -0.007 4.313 4.320 -0.000 0.000 0.202 843 K C 2.081 178.369 176.600 -0.521 0.000 1.047 843 K CA 1.319 57.369 56.287 -0.395 0.000 0.942 843 K CB -0.525 31.617 32.500 -0.595 0.000 0.739 843 K HN 0.487 nan 8.250 nan 0.000 0.457 844 A N 0.527 122.898 122.820 -0.748 0.000 1.970 844 A HA 0.014 4.334 4.320 -0.000 0.000 0.216 844 A C 1.726 178.970 177.584 -0.566 0.000 1.170 844 A CA 0.754 52.130 52.037 -1.102 0.000 0.645 844 A CB -0.043 18.376 19.000 -0.969 0.000 0.816 844 A HN 0.221 nan 8.150 nan 0.000 0.447 845 L N -1.092 119.913 121.223 -0.363 0.000 2.959 845 L HA 0.196 4.536 4.340 -0.000 0.000 0.259 845 L C 1.201 177.961 176.870 -0.183 0.000 1.185 845 L CA -0.164 54.537 54.840 -0.232 0.000 0.998 845 L CB -0.280 41.669 42.059 -0.183 0.000 1.337 845 L HN 0.326 nan 8.230 nan 0.000 0.555 846 E N 2.009 122.097 120.200 -0.187 0.000 2.041 846 E HA -0.316 4.034 4.350 -0.000 0.000 0.227 846 E C 1.332 177.860 176.600 -0.119 0.000 1.039 846 E CA 2.291 58.607 56.400 -0.140 0.000 0.904 846 E CB -0.287 29.345 29.700 -0.115 0.000 0.808 846 E HN 0.615 nan 8.360 nan 0.000 0.510 847 D N 1.028 121.370 120.400 -0.096 0.000 2.332 847 D HA -0.184 4.456 4.640 -0.000 0.000 0.209 847 D C 0.629 176.874 176.300 -0.091 0.000 0.988 847 D CA 0.856 54.811 54.000 -0.074 0.000 0.912 847 D CB -0.684 40.092 40.800 -0.039 0.000 0.899 847 D HN 0.190 nan 8.370 nan 0.000 0.477 848 I N 0.833 121.334 120.570 -0.115 0.000 2.598 848 I HA 0.123 4.293 4.170 -0.000 0.000 0.284 848 I C 0.560 176.557 176.117 -0.200 0.000 1.140 848 I CA 0.019 61.236 61.300 -0.138 0.000 1.420 848 I CB 0.145 38.070 38.000 -0.126 0.000 1.387 848 I HN 0.153 nan 8.210 nan 0.000 0.553 849 M N 5.165 124.595 119.600 -0.283 0.000 2.534 849 M HA 0.470 4.950 4.480 -0.000 0.000 0.280 849 M C -1.786 174.209 176.300 -0.509 0.000 1.217 849 M CA -0.882 54.192 55.300 -0.377 0.000 0.893 849 M CB 1.947 34.335 32.600 -0.354 0.000 1.730 849 M HN 0.045 nan 8.290 nan 0.000 0.483 850 V N 3.759 123.423 119.914 -0.417 0.000 2.470 850 V HA 0.240 4.360 4.120 -0.000 0.000 0.276 850 V C 0.177 176.060 176.094 -0.353 0.000 1.040 850 V CA -0.026 62.083 62.300 -0.317 0.000 1.008 850 V CB -0.178 31.516 31.823 -0.216 0.000 0.990 850 V HN 0.719 nan 8.190 nan 0.000 0.477 851 H N 3.622 122.650 119.070 -0.071 0.000 2.508 851 H HA 0.203 4.759 4.556 -0.000 0.000 0.358 851 H C 0.704 176.032 175.328 -0.000 0.000 1.212 851 H CA -0.403 55.604 56.048 -0.070 0.000 1.356 851 H CB 0.751 30.508 29.762 -0.009 0.000 1.525 851 H HN 0.627 nan 8.280 nan 0.000 0.578 852 Y N 0.433 120.847 120.300 0.190 0.000 2.538 852 Y HA -0.244 4.306 4.550 -0.000 0.000 0.287 852 Y C 1.706 177.657 175.900 0.086 0.000 1.157 852 Y CA 0.957 59.125 58.100 0.113 0.000 1.338 852 Y CB 0.162 38.684 38.460 0.104 0.000 0.970 852 Y HN 0.649 nan 8.280 nan 0.000 0.564 853 D N -2.241 118.311 120.400 0.252 0.000 2.346 853 D HA -0.091 4.549 4.640 -0.000 0.000 0.206 853 D C 0.400 176.788 176.300 0.147 0.000 1.001 853 D CA 0.506 54.608 54.000 0.170 0.000 0.871 853 D CB -0.131 40.757 40.800 0.147 0.000 0.943 853 D HN 0.113 nan 8.370 nan 0.000 0.518 854 N N -1.108 117.682 118.700 0.150 0.000 3.049 854 N HA -0.146 4.594 4.740 -0.000 0.000 0.243 854 N C -0.954 174.632 175.510 0.128 0.000 1.053 854 N CA 0.849 53.971 53.050 0.120 0.000 0.869 854 N CB -1.546 37.004 38.487 0.105 0.000 1.114 854 N HN 0.390 nan 8.380 nan 0.000 0.547 855 T N 0.242 114.877 114.554 0.135 0.000 2.895 855 T HA 0.478 4.828 4.350 -0.000 0.000 0.283 855 T C -0.147 174.589 174.700 0.060 0.000 1.014 855 T CA 0.100 62.275 62.100 0.124 0.000 1.037 855 T CB 1.224 70.184 68.868 0.155 0.000 1.006 855 T HN 0.058 nan 8.240 nan 0.000 0.468 856 T N 5.922 120.483 114.554 0.012 0.000 2.738 856 T HA 0.538 4.888 4.350 -0.000 0.000 0.298 856 T C 0.050 174.721 174.700 -0.049 0.000 0.962 856 T CA -0.583 61.487 62.100 -0.050 0.000 0.972 856 T CB 0.326 69.184 68.868 -0.016 0.000 0.928 856 T HN 0.520 nan 8.240 nan 0.000 0.474 857 R N 2.194 122.677 120.500 -0.028 0.000 2.922 857 R HA 0.556 4.896 4.340 -0.000 0.000 0.256 857 R C 0.390 176.711 176.300 0.035 0.000 1.138 857 R CA -1.101 55.032 56.100 0.056 0.000 0.995 857 R CB 1.515 31.954 30.300 0.231 0.000 1.226 857 R HN 0.728 nan 8.270 nan 0.000 0.481 858 N N -1.395 117.345 118.700 0.066 0.000 3.223 858 N HA 0.121 4.861 4.740 -0.000 0.000 0.350 858 N C 0.466 176.022 175.510 0.077 0.000 1.425 858 N CA -0.496 52.577 53.050 0.037 0.000 0.668 858 N CB 0.470 38.959 38.487 0.003 0.000 1.435 858 N HN 0.427 nan 8.380 nan 0.000 0.569 859 S N -0.483 115.240 115.700 0.038 0.000 2.496 859 S HA 0.097 4.567 4.470 -0.000 0.000 0.224 859 S C 1.832 176.446 174.600 0.024 0.000 0.996 859 S CA 0.149 58.368 58.200 0.032 0.000 0.927 859 S CB -0.480 62.732 63.200 0.020 0.000 0.774 859 S HN 0.427 nan 8.310 nan 0.000 0.524 860 L N 0.620 121.858 121.223 0.026 0.000 2.249 860 L HA 0.324 4.663 4.340 -0.000 0.000 0.207 860 L C 1.881 178.756 176.870 0.008 0.000 1.090 860 L CA 0.691 55.542 54.840 0.018 0.000 0.802 860 L CB -0.548 41.526 42.059 0.024 0.000 0.947 860 L HN 0.585 nan 8.230 nan 0.000 0.453 861 G N 0.041 108.852 108.800 0.019 0.000 2.143 861 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.175 861 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.175 861 G C -0.307 174.603 174.900 0.016 0.000 1.004 861 G CA -0.511 44.591 45.100 0.004 0.000 0.671 861 G HN 0.275 nan 8.290 nan 0.000 0.512 862 N N 0.603 119.313 118.700 0.018 0.000 2.475 862 N HA 0.372 5.112 4.740 -0.000 0.000 0.267 862 N C 0.623 176.115 175.510 -0.030 0.000 1.169 862 N CA -0.061 52.991 53.050 0.002 0.000 0.947 862 N CB 1.564 40.054 38.487 0.005 0.000 1.061 862 N HN 0.160 nan 8.380 nan 0.000 0.466 863 V N 3.870 123.740 119.914 -0.074 0.000 2.485 863 V HA 0.023 4.143 4.120 -0.000 0.000 0.287 863 V C 1.607 177.541 176.094 -0.267 0.000 1.022 863 V CA 0.263 62.438 62.300 -0.209 0.000 1.067 863 V CB -0.131 31.454 31.823 -0.396 0.000 0.967 863 V HN 0.619 nan 8.190 nan 0.000 0.479 864 I N 2.796 123.233 120.570 -0.221 0.000 3.339 864 I HA 0.178 4.348 4.170 -0.000 0.000 0.285 864 I C 0.701 176.694 176.117 -0.207 0.000 1.201 864 I CA 0.523 61.722 61.300 -0.168 0.000 1.434 864 I CB 0.250 38.196 38.000 -0.090 0.000 1.152 864 I HN 0.597 nan 8.210 nan 0.000 0.443 865 Q N -0.521 119.130 119.800 -0.248 0.000 2.295 865 Q HA 0.304 4.643 4.340 -0.000 0.000 0.268 865 Q C -0.523 175.358 176.000 -0.198 0.000 1.010 865 Q CA -0.445 55.252 55.803 -0.177 0.000 0.856 865 Q CB 2.326 31.062 28.738 -0.004 0.000 1.349 865 Q HN 0.018 nan 8.270 nan 0.000 0.412 866 F N 0.797 120.781 119.950 0.056 0.000 2.325 866 F HA 0.054 4.581 4.527 -0.000 0.000 0.299 866 F C 0.686 176.523 175.800 0.062 0.000 1.090 866 F CA 0.754 58.788 58.000 0.055 0.000 1.392 866 F CB 0.517 39.542 39.000 0.041 0.000 1.053 866 F HN 0.356 nan 8.300 nan 0.000 0.521 867 I N -1.132 119.566 120.570 0.213 0.000 2.531 867 I HA 0.079 4.249 4.170 -0.000 0.000 0.283 867 I C -0.890 175.309 176.117 0.136 0.000 1.083 867 I CA -1.162 60.230 61.300 0.154 0.000 1.071 867 I CB 0.634 38.704 38.000 0.117 0.000 1.210 867 I HN -0.130 nan 8.210 nan 0.000 0.450 868 Y N 7.193 127.505 120.300 0.021 0.000 2.831 868 Y HA 0.218 4.768 4.550 -0.000 0.000 0.378 868 Y C 1.373 177.279 175.900 0.011 0.000 1.332 868 Y CA 1.151 59.251 58.100 -0.000 0.000 1.693 868 Y CB -0.357 38.092 38.460 -0.017 0.000 1.191 868 Y HN 0.919 nan 8.280 nan 0.000 0.516 869 G N 4.308 112.926 108.800 -0.302 0.000 2.136 869 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.242 869 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.242 869 G C 0.247 175.084 174.900 -0.105 0.000 0.989 869 G CA 0.129 45.020 45.100 -0.349 0.000 0.682 869 G HN 0.880 nan 8.290 nan 0.000 0.522 870 E N -0.985 119.200 120.200 -0.024 0.000 2.586 870 E HA -0.272 4.078 4.350 -0.000 0.000 0.259 870 E C 0.917 177.501 176.600 -0.027 0.000 1.107 870 E CA 1.293 57.697 56.400 0.007 0.000 0.754 870 E CB -0.723 28.987 29.700 0.016 0.000 1.335 870 E HN 0.978 nan 8.360 nan 0.000 0.411 871 D N -2.937 117.436 120.400 -0.045 0.000 2.301 871 D HA 0.014 4.654 4.640 -0.000 0.000 0.532 871 D C 1.040 177.312 176.300 -0.047 0.000 0.978 871 D CA 0.634 54.609 54.000 -0.042 0.000 1.078 871 D CB -0.684 40.075 40.800 -0.067 0.000 1.478 871 D HN 0.417 nan 8.370 nan 0.000 0.425 872 G N 1.219 109.991 108.800 -0.046 0.000 2.168 872 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.257 872 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.257 872 G C -0.034 174.842 174.900 -0.040 0.000 0.997 872 G CA 0.893 45.995 45.100 0.004 0.000 0.708 872 G HN 0.391 nan 8.290 nan 0.000 0.520 873 M N 0.833 120.371 119.600 -0.104 0.000 2.264 873 M HA 0.473 4.953 4.480 -0.000 0.000 0.352 873 M C 0.011 176.320 176.300 0.015 0.000 1.173 873 M CA -1.530 53.700 55.300 -0.117 0.000 1.075 873 M CB 1.395 33.894 32.600 -0.168 0.000 1.621 873 M HN 0.167 nan 8.290 nan 0.000 0.457 874 D N 2.620 123.075 120.400 0.091 0.000 2.339 874 D HA 0.343 4.983 4.640 -0.000 0.000 0.256 874 D C 0.992 177.415 176.300 0.205 0.000 1.214 874 D CA 0.371 54.511 54.000 0.232 0.000 0.877 874 D CB 0.993 41.976 40.800 0.304 0.000 1.111 874 D HN 0.710 nan 8.370 nan 0.000 0.478 875 A N 4.649 127.567 122.820 0.164 0.000 1.969 875 A HA -0.303 4.017 4.320 -0.000 0.000 0.223 875 A C 2.193 179.817 177.584 0.068 0.000 1.218 875 A CA 2.719 54.811 52.037 0.091 0.000 0.667 875 A CB -1.167 17.897 19.000 0.107 0.000 0.826 875 A HN 0.783 nan 8.150 nan 0.000 0.472 876 A N -1.501 121.339 122.820 0.033 0.000 2.032 876 A HA -0.169 4.151 4.320 -0.000 0.000 0.221 876 A C 1.319 178.753 177.584 -0.249 0.000 1.165 876 A CA 1.361 53.317 52.037 -0.135 0.000 0.645 876 A CB -0.722 18.117 19.000 -0.268 0.000 0.807 876 A HN 0.745 nan 8.150 nan 0.000 0.453 877 H N -0.626 118.466 119.070 0.037 0.000 2.423 877 H HA 0.528 5.084 4.556 -0.000 0.000 0.227 877 H C -0.935 174.403 175.328 0.016 0.000 1.596 877 H CA -0.093 55.962 56.048 0.011 0.000 1.207 877 H CB -0.412 29.323 29.762 -0.046 0.000 1.595 877 H HN 0.361 nan 8.280 nan 0.000 0.534 878 I N 0.875 121.527 120.570 0.137 0.000 2.692 878 I HA 0.266 4.436 4.170 -0.000 0.000 0.293 878 I C -0.724 175.509 176.117 0.193 0.000 1.200 878 I CA -0.739 60.645 61.300 0.139 0.000 1.036 878 I CB 2.881 40.951 38.000 0.116 0.000 1.258 878 I HN 0.149 nan 8.210 nan 0.000 0.421 879 E N 3.916 124.226 120.200 0.183 0.000 2.314 879 E HA 0.380 4.730 4.350 -0.000 0.000 0.272 879 E C -1.380 175.303 176.600 0.137 0.000 0.884 879 E CA -1.188 55.333 56.400 0.202 0.000 0.753 879 E CB 2.801 32.632 29.700 0.218 0.000 1.213 879 E HN 0.373 nan 8.360 nan 0.000 0.432 880 K N 2.780 123.237 120.400 0.095 0.000 2.351 880 K HA 0.023 4.343 4.320 -0.000 0.000 0.287 880 K C -0.128 176.493 176.600 0.036 0.000 1.068 880 K CA 0.342 56.650 56.287 0.034 0.000 0.998 880 K CB 0.272 32.741 32.500 -0.052 0.000 0.968 880 K HN 0.342 nan 8.250 nan 0.000 0.464 881 Q N 0.755 120.593 119.800 0.063 0.000 2.194 881 Q HA 0.312 4.652 4.340 -0.000 0.000 0.245 881 Q C -0.288 175.733 176.000 0.035 0.000 0.993 881 Q CA -0.826 55.014 55.803 0.061 0.000 0.930 881 Q CB 1.788 30.587 28.738 0.101 0.000 1.238 881 Q HN 0.585 nan 8.270 nan 0.000 0.486 882 S N 0.040 115.759 115.700 0.032 0.000 2.473 882 S HA 0.490 4.960 4.470 -0.000 0.000 0.307 882 S C -0.381 174.251 174.600 0.053 0.000 1.094 882 S CA -0.860 57.351 58.200 0.018 0.000 1.070 882 S CB 0.514 63.707 63.200 -0.012 0.000 1.019 882 S HN 0.478 nan 8.310 nan 0.000 0.480 883 L N 3.648 124.914 121.223 0.072 0.000 2.356 883 L HA 0.255 4.595 4.340 -0.000 0.000 0.282 883 L C 0.613 177.523 176.870 0.067 0.000 1.132 883 L CA -0.533 54.359 54.840 0.086 0.000 0.923 883 L CB -0.011 42.126 42.059 0.129 0.000 1.278 883 L HN 0.769 nan 8.230 nan 0.000 0.436 884 D N 0.857 121.309 120.400 0.085 0.000 2.182 884 D HA -0.147 4.493 4.640 -0.000 0.000 0.201 884 D C 1.733 178.094 176.300 0.102 0.000 0.986 884 D CA 1.395 55.462 54.000 0.111 0.000 0.847 884 D CB 0.159 41.075 40.800 0.192 0.000 0.942 884 D HN 0.521 nan 8.370 nan 0.000 0.467 885 T N 1.197 115.787 114.554 0.060 0.000 2.849 885 T HA -0.116 4.234 4.350 -0.000 0.000 0.270 885 T C 2.103 176.777 174.700 -0.043 0.000 1.066 885 T CA 0.504 62.602 62.100 -0.004 0.000 1.130 885 T CB 0.111 68.957 68.868 -0.037 0.000 0.864 885 T HN 0.220 nan 8.240 nan 0.000 0.481 886 I N 0.267 120.825 120.570 -0.020 0.000 2.260 886 I HA 0.127 4.297 4.170 -0.000 0.000 0.237 886 I C 1.933 177.982 176.117 -0.114 0.000 1.075 886 I CA 0.239 61.498 61.300 -0.068 0.000 1.376 886 I CB -0.785 37.196 38.000 -0.031 0.000 1.107 886 I HN 0.264 nan 8.210 nan 0.000 0.420 887 G N 0.196 108.936 108.800 -0.101 0.000 2.794 887 G HA2 0.339 4.299 3.960 -0.000 0.000 0.249 887 G HA3 0.339 4.299 3.960 -0.000 0.000 0.249 887 G C 0.175 175.066 174.900 -0.015 0.000 1.236 887 G CA 0.408 45.445 45.100 -0.105 0.000 0.880 887 G HN 0.740 nan 8.290 nan 0.000 0.586 888 G N -1.403 107.404 108.800 0.011 0.000 2.758 888 G HA2 0.270 4.230 3.960 -0.000 0.000 0.686 888 G HA3 0.270 4.230 3.960 -0.000 0.000 0.686 888 G C 0.199 175.152 174.900 0.087 0.000 1.389 888 G CA 0.286 45.426 45.100 0.067 0.000 0.845 888 G HN 2.036 nan 8.290 nan 0.000 0.572 889 S N -0.132 115.628 115.700 0.100 0.000 2.614 889 S HA 0.446 4.916 4.470 -0.000 0.000 0.265 889 S C 1.007 175.679 174.600 0.120 0.000 1.303 889 S CA 0.382 58.642 58.200 0.099 0.000 1.000 889 S CB 1.773 65.026 63.200 0.088 0.000 0.935 889 S HN 0.626 nan 8.310 nan 0.000 0.551 890 D N 1.102 121.559 120.400 0.095 0.000 2.178 890 D HA -0.077 4.563 4.640 -0.000 0.000 0.201 890 D C 2.075 178.488 176.300 0.189 0.000 0.980 890 D CA 1.458 55.524 54.000 0.110 0.000 0.842 890 D CB -0.337 40.505 40.800 0.069 0.000 0.948 890 D HN 0.705 nan 8.370 nan 0.000 0.472 891 A N 1.192 124.100 122.820 0.146 0.000 1.855 891 A HA -0.027 4.293 4.320 -0.000 0.000 0.215 891 A C 2.355 180.033 177.584 0.157 0.000 1.191 891 A CA 1.986 54.107 52.037 0.141 0.000 0.613 891 A CB -0.723 18.336 19.000 0.098 0.000 0.829 891 A HN 0.224 nan 8.150 nan 0.000 0.442 892 A N -1.460 121.448 122.820 0.147 0.000 2.019 892 A HA -0.048 4.272 4.320 -0.000 0.000 0.219 892 A C 1.990 179.689 177.584 0.191 0.000 1.164 892 A CA 1.587 53.705 52.037 0.135 0.000 0.644 892 A CB -0.700 18.369 19.000 0.115 0.000 0.805 892 A HN 0.646 nan 8.150 nan 0.000 0.449 893 F N 0.604 120.611 119.950 0.094 0.000 2.075 893 F HA -0.144 4.382 4.527 -0.000 0.000 0.297 893 F C 2.199 178.115 175.800 0.193 0.000 1.113 893 F CA 2.179 60.247 58.000 0.113 0.000 1.218 893 F CB -0.368 38.645 39.000 0.021 0.000 0.984 893 F HN 0.401 nan 8.300 nan 0.000 0.472 894 E N 0.356 120.719 120.200 0.272 0.000 2.058 894 E HA -0.331 4.019 4.350 -0.000 0.000 0.194 894 E C 2.283 178.935 176.600 0.087 0.000 0.997 894 E CA 1.655 58.195 56.400 0.234 0.000 0.801 894 E CB -0.301 29.557 29.700 0.263 0.000 0.746 894 E HN 0.399 nan 8.360 nan 0.000 0.450 895 K N 0.354 120.783 120.400 0.049 0.000 2.280 895 K HA -0.190 4.130 4.320 -0.000 0.000 0.202 895 K C 2.173 178.725 176.600 -0.080 0.000 1.047 895 K CA 1.153 57.418 56.287 -0.037 0.000 0.942 895 K CB 0.029 32.517 32.500 -0.020 0.000 0.739 895 K HN -0.026 nan 8.250 nan 0.000 0.457 896 R N -1.188 119.274 120.500 -0.064 0.000 2.123 896 R HA -0.002 4.338 4.340 -0.000 0.000 0.209 896 R C 1.064 177.150 176.300 -0.357 0.000 1.078 896 R CA 0.734 56.721 56.100 -0.187 0.000 1.028 896 R CB 0.173 30.401 30.300 -0.119 0.000 0.939 896 R HN 0.188 nan 8.270 nan 0.000 0.463 897 Y N -0.451 119.639 120.300 -0.350 0.000 2.442 897 Y HA 0.292 4.842 4.550 -0.000 0.000 0.250 897 Y C 0.307 176.176 175.900 -0.050 0.000 1.113 897 Y CA -0.424 57.487 58.100 -0.315 0.000 1.273 897 Y CB 0.238 38.313 38.460 -0.643 0.000 1.138 897 Y HN -0.159 nan 8.280 nan 0.000 0.522 898 R N 1.428 122.061 120.500 0.222 0.000 2.347 898 R HA 0.441 4.780 4.340 -0.000 0.000 0.304 898 R C -1.453 174.891 176.300 0.073 0.000 1.072 898 R CA -0.124 56.145 56.100 0.281 0.000 0.980 898 R CB 0.170 30.583 30.300 0.188 0.000 0.986 898 R HN -0.076 nan 8.270 nan 0.000 0.448 899 V N 4.973 124.929 119.914 0.070 0.000 2.483 899 V HA 0.306 4.425 4.120 -0.000 0.000 0.297 899 V C -0.999 175.101 176.094 0.011 0.000 1.027 899 V CA -0.794 61.518 62.300 0.020 0.000 0.855 899 V CB 1.852 33.685 31.823 0.015 0.000 0.995 899 V HN 0.747 nan 8.190 nan 0.000 0.424 900 D N 4.134 124.548 120.400 0.023 0.000 2.469 900 D HA 0.377 5.017 4.640 -0.000 0.000 0.251 900 D C 0.586 176.896 176.300 0.016 0.000 1.173 900 D CA -0.329 53.681 54.000 0.018 0.000 0.882 900 D CB 1.885 42.715 40.800 0.050 0.000 1.129 900 D HN 0.407 nan 8.370 nan 0.000 0.549 901 L N 2.940 124.164 121.223 0.001 0.000 2.552 901 L HA 0.088 4.428 4.340 -0.000 0.000 0.227 901 L C 1.359 178.226 176.870 -0.005 0.000 1.146 901 L CA 0.542 55.380 54.840 -0.002 0.000 0.858 901 L CB 0.133 42.188 42.059 -0.007 0.000 0.969 901 L HN 0.373 nan 8.230 nan 0.000 0.451 902 L N -0.483 120.735 121.223 -0.008 0.000 2.912 902 L HA 0.249 4.589 4.340 -0.000 0.000 0.240 902 L C -0.031 176.829 176.870 -0.017 0.000 1.262 902 L CA 0.061 54.892 54.840 -0.015 0.000 1.058 902 L CB -0.530 41.516 42.059 -0.022 0.000 1.383 902 L HN 0.231 nan 8.230 nan 0.000 0.512 903 N N -1.428 117.270 118.700 -0.003 0.000 2.371 903 N HA 0.153 4.893 4.740 -0.000 0.000 0.280 903 N C 0.483 176.005 175.510 0.020 0.000 1.084 903 N CA -0.255 52.792 53.050 -0.004 0.000 0.892 903 N CB 1.924 40.403 38.487 -0.013 0.000 1.653 903 N HN -0.168 nan 8.380 nan 0.000 0.480 904 T N 0.496 115.057 114.554 0.011 0.000 2.746 904 T HA -0.098 4.252 4.350 -0.000 0.000 0.267 904 T C 0.404 175.131 174.700 0.045 0.000 1.039 904 T CA 1.240 63.352 62.100 0.020 0.000 1.142 904 T CB -0.091 68.782 68.868 0.009 0.000 0.866 904 T HN 0.570 nan 8.240 nan 0.000 0.444 905 D N -0.408 120.045 120.400 0.088 0.000 2.379 905 D HA 0.049 4.689 4.640 -0.000 0.000 0.208 905 D C 0.496 176.951 176.300 0.258 0.000 1.065 905 D CA 0.400 54.492 54.000 0.153 0.000 0.848 905 D CB 0.165 41.071 40.800 0.175 0.000 0.949 905 D HN 0.391 nan 8.370 nan 0.000 0.509 906 H N -0.260 118.797 119.070 -0.023 0.000 2.475 906 H HA 0.259 4.815 4.556 -0.000 0.000 0.276 906 H C -0.057 175.253 175.328 -0.030 0.000 1.126 906 H CA -0.180 55.852 56.048 -0.027 0.000 1.023 906 H CB 0.564 30.307 29.762 -0.032 0.000 1.669 906 H HN -0.131 nan 8.280 nan 0.000 0.573 907 T N 0.066 114.654 114.554 0.058 0.000 2.937 907 T HA 0.507 4.857 4.350 -0.000 0.000 0.283 907 T C -0.096 174.597 174.700 -0.012 0.000 1.012 907 T CA -0.803 61.307 62.100 0.017 0.000 0.997 907 T CB 0.691 69.566 68.868 0.012 0.000 1.136 907 T HN 0.135 nan 8.240 nan 0.000 0.551 908 L N 2.570 123.780 121.223 -0.022 0.000 2.380 908 L HA 0.329 4.669 4.340 -0.000 0.000 0.273 908 L C 0.762 177.615 176.870 -0.027 0.000 1.138 908 L CA -0.571 54.248 54.840 -0.035 0.000 0.832 908 L CB 0.331 42.367 42.059 -0.039 0.000 1.124 908 L HN 0.623 nan 8.230 nan 0.000 0.454 909 D N 5.584 125.966 120.400 -0.030 0.000 2.343 909 D HA 0.067 4.707 4.640 -0.000 0.000 0.255 909 D C -1.455 174.833 176.300 -0.020 0.000 1.187 909 D CA -1.480 52.508 54.000 -0.021 0.000 0.875 909 D CB 1.704 42.491 40.800 -0.022 0.000 1.136 909 D HN 0.339 nan 8.370 nan 0.000 0.469 910 P HA -0.167 nan 4.420 nan 0.000 0.229 910 P C 1.015 178.308 177.300 -0.012 0.000 1.147 910 P CA 0.703 63.794 63.100 -0.014 0.000 0.766 910 P CB 0.072 31.765 31.700 -0.011 0.000 0.775 911 S N -1.840 113.854 115.700 -0.011 0.000 2.496 911 S HA 0.028 4.498 4.470 -0.000 0.000 0.224 911 S C 1.851 176.446 174.600 -0.008 0.000 0.996 911 S CA 0.143 58.339 58.200 -0.007 0.000 0.927 911 S CB -1.013 62.184 63.200 -0.005 0.000 0.774 911 S HN 0.120 nan 8.310 nan 0.000 0.524 912 L N -0.190 121.024 121.223 -0.016 0.000 2.116 912 L HA 0.391 4.731 4.340 -0.000 0.000 0.200 912 L C 0.798 177.654 176.870 -0.023 0.000 1.084 912 L CA 0.184 55.012 54.840 -0.020 0.000 0.766 912 L CB -0.252 41.789 42.059 -0.031 0.000 0.930 912 L HN 0.313 nan 8.230 nan 0.000 0.453 913 L N -0.219 120.987 121.223 -0.028 0.000 2.325 913 L HA 0.157 4.497 4.340 -0.000 0.000 0.279 913 L C 1.025 177.880 176.870 -0.024 0.000 1.054 913 L CA 0.282 55.103 54.840 -0.032 0.000 0.804 913 L CB 1.191 43.226 42.059 -0.040 0.000 1.200 913 L HN 0.123 nan 8.230 nan 0.000 0.436 914 E N 1.022 121.208 120.200 -0.024 0.000 2.017 914 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 914 E C 0.822 177.412 176.600 -0.018 0.000 0.997 914 E CA 1.460 57.849 56.400 -0.018 0.000 0.804 914 E CB 0.078 29.767 29.700 -0.018 0.000 0.757 914 E HN 0.808 nan 8.360 nan 0.000 0.448 915 S N -0.289 115.398 115.700 -0.023 0.000 3.122 915 S HA 0.209 4.679 4.470 -0.000 0.000 0.249 915 S C 1.040 175.627 174.600 -0.022 0.000 1.334 915 S CA -0.175 58.012 58.200 -0.021 0.000 1.251 915 S CB 0.440 63.625 63.200 -0.024 0.000 1.034 915 S HN 0.360 nan 8.310 nan 0.000 0.478 916 G N 3.084 111.872 108.800 -0.020 0.000 2.605 916 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.215 916 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.215 916 G C 1.701 176.591 174.900 -0.016 0.000 1.279 916 G CA 0.832 45.920 45.100 -0.019 0.000 0.831 916 G HN 0.765 nan 8.290 nan 0.000 0.560 917 S N 1.757 117.449 115.700 -0.012 0.000 2.368 917 S HA -0.278 4.192 4.470 -0.000 0.000 0.226 917 S C 2.086 176.679 174.600 -0.010 0.000 1.044 917 S CA 2.192 60.386 58.200 -0.010 0.000 1.062 917 S CB -0.823 62.372 63.200 -0.008 0.000 0.931 917 S HN 0.749 nan 8.310 nan 0.000 0.440 918 E N 0.849 121.042 120.200 -0.011 0.000 2.510 918 E HA 0.034 4.384 4.350 -0.000 0.000 0.202 918 E C 1.614 178.207 176.600 -0.012 0.000 1.072 918 E CA 0.791 57.184 56.400 -0.011 0.000 0.883 918 E CB -0.389 29.305 29.700 -0.011 0.000 0.818 918 E HN 0.713 nan 8.360 nan 0.000 0.548 919 I N 0.279 120.840 120.570 -0.014 0.000 3.790 919 I HA 0.086 4.256 4.170 -0.000 0.000 0.305 919 I C 1.024 177.133 176.117 -0.013 0.000 1.253 919 I CA -0.413 60.878 61.300 -0.015 0.000 1.355 919 I CB 0.453 38.442 38.000 -0.019 0.000 1.137 919 I HN 0.200 nan 8.210 nan 0.000 0.435 920 L N 1.782 122.998 121.223 -0.011 0.000 2.615 920 L HA -0.026 4.314 4.340 -0.000 0.000 0.284 920 L C 1.320 178.185 176.870 -0.009 0.000 1.237 920 L CA 1.302 56.137 54.840 -0.009 0.000 0.905 920 L CB 0.333 42.388 42.059 -0.007 0.000 1.149 920 L HN 0.525 nan 8.230 nan 0.000 0.499 921 G N 2.493 111.288 108.800 -0.009 0.000 2.363 921 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.238 921 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.238 921 G C 0.375 175.269 174.900 -0.010 0.000 1.062 921 G CA 0.205 45.299 45.100 -0.010 0.000 0.629 921 G HN 0.778 nan 8.290 nan 0.000 0.514 922 D N 0.953 121.347 120.400 -0.010 0.000 2.923 922 D HA 0.019 4.659 4.640 -0.000 0.000 0.220 922 D C 1.701 177.995 176.300 -0.010 0.000 1.099 922 D CA 0.604 54.598 54.000 -0.010 0.000 0.807 922 D CB 0.217 41.011 40.800 -0.011 0.000 1.155 922 D HN 0.309 nan 8.370 nan 0.000 0.524 923 L N 4.130 125.347 121.223 -0.009 0.000 2.209 923 L HA -0.064 4.276 4.340 -0.000 0.000 0.207 923 L C 2.418 179.283 176.870 -0.007 0.000 1.094 923 L CA 0.526 55.361 54.840 -0.009 0.000 0.790 923 L CB -0.012 42.042 42.059 -0.008 0.000 0.932 923 L HN 0.361 nan 8.230 nan 0.000 0.447 924 K N -0.069 120.327 120.400 -0.007 0.000 2.288 924 K HA -0.060 4.260 4.320 -0.000 0.000 0.201 924 K C 1.942 178.539 176.600 -0.006 0.000 1.048 924 K CA 0.831 57.114 56.287 -0.006 0.000 0.956 924 K CB 0.149 32.645 32.500 -0.006 0.000 0.746 924 K HN 0.317 nan 8.250 nan 0.000 0.461 925 L N 0.422 121.641 121.223 -0.007 0.000 2.162 925 L HA -0.077 4.263 4.340 -0.000 0.000 0.205 925 L C 2.161 179.029 176.870 -0.003 0.000 1.086 925 L CA 0.632 55.468 54.840 -0.008 0.000 0.778 925 L CB -0.263 41.789 42.059 -0.012 0.000 0.928 925 L HN 0.119 nan 8.230 nan 0.000 0.446 926 Q N -0.001 119.797 119.800 -0.004 0.000 2.541 926 Q HA -0.068 4.272 4.340 -0.000 0.000 0.215 926 Q C 2.055 178.056 176.000 0.002 0.000 0.977 926 Q CA 0.753 56.555 55.803 -0.003 0.000 0.934 926 Q CB 0.081 28.813 28.738 -0.009 0.000 0.988 926 Q HN 0.391 nan 8.270 nan 0.000 0.521 927 V N -0.237 119.679 119.914 0.003 0.000 2.426 927 V HA -0.141 3.979 4.120 -0.000 0.000 0.242 927 V C 2.187 178.290 176.094 0.015 0.000 1.036 927 V CA 0.903 63.207 62.300 0.007 0.000 1.044 927 V CB -0.328 31.498 31.823 0.004 0.000 0.688 927 V HN 0.261 nan 8.190 nan 0.000 0.462 928 L N -0.533 120.697 121.223 0.012 0.000 2.156 928 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 928 L C 2.429 179.317 176.870 0.029 0.000 1.095 928 L CA 0.810 55.660 54.840 0.016 0.000 0.770 928 L CB -0.402 41.661 42.059 0.007 0.000 0.914 928 L HN 0.306 nan 8.230 nan 0.000 0.439 929 L N -0.118 121.121 121.223 0.026 0.000 2.093 929 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 929 L C 2.047 178.960 176.870 0.072 0.000 1.085 929 L CA 1.834 56.698 54.840 0.040 0.000 0.755 929 L CB -0.730 41.342 42.059 0.021 0.000 0.904 929 L HN 0.326 nan 8.230 nan 0.000 0.435 930 D N -0.815 119.617 120.400 0.054 0.000 2.183 930 D HA -0.155 4.485 4.640 -0.000 0.000 0.205 930 D C 1.887 178.249 176.300 0.104 0.000 0.962 930 D CA 0.525 54.567 54.000 0.071 0.000 0.849 930 D CB 0.371 41.186 40.800 0.025 0.000 0.978 930 D HN 0.383 nan 8.370 nan 0.000 0.488 931 E N 1.008 121.249 120.200 0.069 0.000 2.160 931 E HA -0.208 4.142 4.350 -0.000 0.000 0.195 931 E C 1.874 178.519 176.600 0.075 0.000 0.991 931 E CA 0.875 57.311 56.400 0.060 0.000 0.810 931 E CB 0.182 29.904 29.700 0.036 0.000 0.742 931 E HN 0.318 nan 8.360 nan 0.000 0.466 932 E N -0.432 119.822 120.200 0.089 0.000 2.015 932 E HA -0.236 4.114 4.350 -0.000 0.000 0.191 932 E C 1.985 178.660 176.600 0.125 0.000 0.991 932 E CA 0.981 57.434 56.400 0.089 0.000 0.802 932 E CB -0.411 29.342 29.700 0.088 0.000 0.759 932 E HN 0.348 nan 8.360 nan 0.000 0.447 933 Y N 1.443 121.772 120.300 0.050 0.000 2.151 933 Y HA -0.263 4.287 4.550 -0.000 0.000 0.284 933 Y C 2.215 178.164 175.900 0.081 0.000 1.166 933 Y CA 2.267 60.412 58.100 0.074 0.000 1.163 933 Y CB 0.058 38.559 38.460 0.070 0.000 0.974 933 Y HN 0.004 nan 8.280 nan 0.000 0.511 934 K N -0.614 119.947 120.400 0.268 0.000 2.152 934 K HA -0.291 4.029 4.320 -0.000 0.000 0.206 934 K C 2.104 178.749 176.600 0.074 0.000 1.048 934 K CA 1.665 58.055 56.287 0.171 0.000 0.933 934 K CB -0.175 32.394 32.500 0.114 0.000 0.721 934 K HN 0.306 nan 8.250 nan 0.000 0.447 935 Q N 1.131 120.958 119.800 0.046 0.000 2.020 935 Q HA -0.035 4.305 4.340 -0.000 0.000 0.198 935 Q C 1.836 177.818 176.000 -0.030 0.000 0.974 935 Q CA 1.325 57.128 55.803 0.000 0.000 0.829 935 Q CB -0.165 28.570 28.738 -0.004 0.000 0.894 935 Q HN 0.239 nan 8.270 nan 0.000 0.433 936 L N -0.228 120.966 121.223 -0.047 0.000 2.187 936 L HA -0.157 4.183 4.340 -0.000 0.000 0.213 936 L C 2.073 178.905 176.870 -0.063 0.000 1.100 936 L CA 0.815 55.612 54.840 -0.072 0.000 0.765 936 L CB -0.473 41.504 42.059 -0.137 0.000 0.904 936 L HN 0.153 nan 8.230 nan 0.000 0.437 937 V N -0.396 119.470 119.914 -0.080 0.000 2.725 937 V HA -0.163 3.957 4.120 -0.000 0.000 0.247 937 V C 2.470 178.517 176.094 -0.078 0.000 1.058 937 V CA 1.132 63.366 62.300 -0.111 0.000 1.080 937 V CB -0.241 31.570 31.823 -0.019 0.000 0.713 937 V HN 0.405 nan 8.190 nan 0.000 0.465 938 K N 0.342 120.723 120.400 -0.031 0.000 2.147 938 K HA -0.227 4.093 4.320 -0.000 0.000 0.205 938 K C 1.612 178.213 176.600 0.001 0.000 1.049 938 K CA 1.895 58.176 56.287 -0.009 0.000 0.936 938 K CB -0.108 32.389 32.500 -0.006 0.000 0.722 938 K HN 0.447 nan 8.250 nan 0.000 0.446 939 D N 0.294 120.674 120.400 -0.033 0.000 2.077 939 D HA -0.160 4.480 4.640 -0.000 0.000 0.193 939 D C 1.941 178.243 176.300 0.003 0.000 0.989 939 D CA 1.307 55.296 54.000 -0.019 0.000 0.831 939 D CB -0.067 40.700 40.800 -0.056 0.000 0.979 939 D HN 0.135 nan 8.370 nan 0.000 0.449 940 R N 0.401 120.838 120.500 -0.104 0.000 2.133 940 R HA -0.181 4.159 4.340 -0.000 0.000 0.247 940 R C 1.708 177.956 176.300 -0.088 0.000 1.151 940 R CA 1.444 57.443 56.100 -0.170 0.000 0.971 940 R CB 0.148 30.192 30.300 -0.427 0.000 0.866 940 R HN 0.020 nan 8.270 nan 0.000 0.447 941 K N -0.592 119.773 120.400 -0.058 0.000 2.103 941 K HA -0.121 4.199 4.320 -0.000 0.000 0.204 941 K C 1.864 178.453 176.600 -0.019 0.000 1.052 941 K CA 1.130 57.395 56.287 -0.037 0.000 0.945 941 K CB -0.533 31.950 32.500 -0.028 0.000 0.722 941 K HN 0.226 nan 8.250 nan 0.000 0.443 942 F N 2.186 122.076 119.950 -0.100 0.000 2.134 942 F HA -0.121 4.406 4.527 -0.000 0.000 0.299 942 F C 1.869 177.582 175.800 -0.146 0.000 1.097 942 F CA 1.207 59.137 58.000 -0.117 0.000 1.264 942 F CB -0.103 38.828 39.000 -0.114 0.000 1.001 942 F HN -0.152 nan 8.300 nan 0.000 0.479 943 L N -0.040 121.235 121.223 0.087 0.000 2.141 943 L HA -0.129 4.211 4.340 -0.000 0.000 0.209 943 L C 2.092 178.918 176.870 -0.073 0.000 1.094 943 L CA 1.067 55.916 54.840 0.015 0.000 0.763 943 L CB -0.784 41.363 42.059 0.147 0.000 0.908 943 L HN 0.074 nan 8.230 nan 0.000 0.437 944 R N 0.148 120.616 120.500 -0.054 0.000 2.328 944 R HA -0.036 4.304 4.340 -0.000 0.000 0.200 944 R C 1.196 177.439 176.300 -0.095 0.000 0.983 944 R CA 0.344 56.444 56.100 -0.001 0.000 1.062 944 R CB 0.103 30.432 30.300 0.048 0.000 0.956 944 R HN 0.492 nan 8.270 nan 0.000 0.479 945 E N -0.821 119.219 120.200 -0.265 0.000 2.453 945 E HA 0.023 4.373 4.350 -0.000 0.000 0.211 945 E C 1.337 177.665 176.600 -0.454 0.000 0.897 945 E CA 0.083 56.279 56.400 -0.340 0.000 1.063 945 E CB 0.821 30.268 29.700 -0.421 0.000 1.080 945 E HN 0.008 nan 8.360 nan 0.000 0.512 946 V N 0.209 119.736 119.914 -0.645 0.000 2.685 946 V HA 0.048 4.168 4.120 -0.000 0.000 0.244 946 V C 0.459 176.090 176.094 -0.772 0.000 1.054 946 V CA 0.965 62.757 62.300 -0.847 0.000 1.076 946 V CB 0.094 31.177 31.823 -1.233 0.000 0.725 946 V HN 0.116 nan 8.190 nan 0.000 0.467 947 F N -0.373 119.442 119.950 -0.226 0.000 2.371 947 F HA 0.365 4.892 4.527 -0.000 0.000 0.343 947 F C 1.016 176.819 175.800 0.005 0.000 1.150 947 F CA -0.410 57.526 58.000 -0.107 0.000 1.220 947 F CB 0.938 39.907 39.000 -0.051 0.000 1.475 947 F HN -0.198 nan 8.300 nan 0.000 0.521 948 V N 0.131 120.123 119.914 0.130 0.000 2.867 948 V HA -0.241 3.879 4.120 -0.000 0.000 0.260 948 V C 1.755 177.993 176.094 0.240 0.000 1.099 948 V CA 1.568 63.947 62.300 0.132 0.000 1.122 948 V CB -0.395 31.445 31.823 0.028 0.000 0.708 948 V HN 0.623 nan 8.190 nan 0.000 0.490 949 D N 0.721 121.271 120.400 0.249 0.000 2.097 949 D HA -0.042 4.598 4.640 -0.000 0.000 0.195 949 D C 1.994 178.471 176.300 0.296 0.000 0.989 949 D CA 1.999 56.142 54.000 0.238 0.000 0.827 949 D CB -0.005 40.907 40.800 0.186 0.000 0.966 949 D HN 0.563 nan 8.370 nan 0.000 0.456 950 G N 0.692 109.583 108.800 0.152 0.000 2.192 950 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.193 950 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.193 950 G C 0.153 174.954 174.900 -0.164 0.000 0.999 950 G CA 0.170 45.090 45.100 -0.300 0.000 0.659 950 G HN 0.271 nan 8.290 nan 0.000 0.503 951 E N 1.091 121.287 120.200 -0.006 0.000 2.406 951 E HA 0.585 4.935 4.350 -0.000 0.000 0.258 951 E C 1.196 177.759 176.600 -0.063 0.000 1.043 951 E CA 0.888 57.211 56.400 -0.128 0.000 0.929 951 E CB 0.706 30.255 29.700 -0.252 0.000 0.969 951 E HN 0.736 nan 8.360 nan 0.000 0.462 952 A N 5.137 127.861 122.820 -0.160 0.000 2.348 952 A HA 0.107 4.427 4.320 -0.000 0.000 0.224 952 A C 0.072 177.576 177.584 -0.134 0.000 1.227 952 A CA -0.266 51.739 52.037 -0.055 0.000 0.885 952 A CB 0.062 19.030 19.000 -0.052 0.000 0.933 952 A HN 0.527 nan 8.150 nan 0.000 0.506 953 N N 0.280 118.704 118.700 -0.461 0.000 2.439 953 N HA 0.404 5.144 4.740 -0.000 0.000 0.249 953 N C -1.594 173.402 175.510 -0.855 0.000 1.003 953 N CA 0.182 52.955 53.050 -0.463 0.000 0.942 953 N CB 0.633 38.890 38.487 -0.384 0.000 1.115 953 N HN 0.442 nan 8.380 nan 0.000 0.505 954 W N 1.754 122.938 121.300 -0.193 0.000 3.031 954 W HA 0.404 5.064 4.660 -0.000 0.000 0.337 954 W C -2.134 174.353 176.519 -0.054 0.000 1.187 954 W CA -1.687 55.553 57.345 -0.175 0.000 1.166 954 W CB 0.852 30.148 29.460 -0.273 0.000 1.437 954 W HN 0.258 nan 8.180 nan 0.000 0.551 955 P HA 0.249 nan 4.420 nan 0.000 0.271 955 P C -0.922 176.495 177.300 0.194 0.000 1.220 955 P CA 0.539 63.758 63.100 0.198 0.000 0.768 955 P CB 1.177 33.013 31.700 0.226 0.000 0.848 956 L N 4.959 126.288 121.223 0.175 0.000 2.472 956 L HA 0.431 4.771 4.340 -0.000 0.000 0.260 956 L C -2.392 174.569 176.870 0.153 0.000 0.963 956 L CA -2.574 52.379 54.840 0.189 0.000 0.829 956 L CB 3.299 45.520 42.059 0.269 0.000 1.348 956 L HN 0.187 nan 8.230 nan 0.000 0.408 957 P HA 0.073 nan 4.420 nan 0.000 0.270 957 P C -0.431 176.900 177.300 0.052 0.000 1.223 957 P CA 0.141 63.215 63.100 -0.044 0.000 0.785 957 P CB 1.156 32.668 31.700 -0.313 0.000 0.923 958 V N -0.297 119.638 119.914 0.036 0.000 3.814 958 V HA -0.232 3.888 4.120 -0.000 0.000 0.480 958 V C 0.593 176.786 176.094 0.164 0.000 0.682 958 V CA 0.385 62.750 62.300 0.110 0.000 1.959 958 V CB -1.687 30.247 31.823 0.186 0.000 2.372 958 V HN 0.889 nan 8.190 nan 0.000 0.501 959 N N 4.901 123.654 118.700 0.088 0.000 2.399 959 N HA 0.272 5.012 4.740 -0.000 0.000 0.259 959 N C 0.765 176.299 175.510 0.040 0.000 1.160 959 N CA 0.082 53.173 53.050 0.068 0.000 0.946 959 N CB 0.793 39.298 38.487 0.029 0.000 1.156 959 N HN 0.664 nan 8.380 nan 0.000 0.489 960 I N 2.913 123.509 120.570 0.044 0.000 2.480 960 I HA -0.095 4.075 4.170 -0.000 0.000 0.251 960 I C 2.400 178.479 176.117 -0.063 0.000 1.124 960 I CA 0.251 61.541 61.300 -0.017 0.000 1.444 960 I CB -0.079 37.907 38.000 -0.024 0.000 1.098 960 I HN 0.565 nan 8.210 nan 0.000 0.428 961 R N 1.301 121.781 120.500 -0.034 0.000 2.112 961 R HA -0.226 4.114 4.340 -0.000 0.000 0.242 961 R C 2.430 178.681 176.300 -0.081 0.000 1.137 961 R CA 1.881 57.950 56.100 -0.051 0.000 0.944 961 R CB -0.136 30.158 30.300 -0.011 0.000 0.857 961 R HN 0.256 nan 8.270 nan 0.000 0.435 962 R N 0.149 120.617 120.500 -0.053 0.000 2.061 962 R HA -0.072 4.268 4.340 -0.000 0.000 0.230 962 R C 2.495 178.761 176.300 -0.057 0.000 1.140 962 R CA 1.539 57.603 56.100 -0.060 0.000 0.940 962 R CB -0.597 29.690 30.300 -0.021 0.000 0.839 962 R HN 0.312 nan 8.270 nan 0.000 0.429 963 I N 1.044 121.585 120.570 -0.049 0.000 2.285 963 I HA -0.370 3.800 4.170 -0.000 0.000 0.253 963 I C 1.947 178.050 176.117 -0.023 0.000 1.104 963 I CA 1.471 62.738 61.300 -0.055 0.000 1.372 963 I CB 0.046 37.981 38.000 -0.108 0.000 1.057 963 I HN 0.255 nan 8.210 nan 0.000 0.431 964 I N -0.439 120.067 120.570 -0.107 0.000 2.429 964 I HA -0.240 3.930 4.170 -0.000 0.000 0.247 964 I C 2.392 178.451 176.117 -0.096 0.000 1.099 964 I CA 0.764 61.969 61.300 -0.158 0.000 1.422 964 I CB -0.321 37.422 38.000 -0.429 0.000 1.112 964 I HN 0.230 nan 8.210 nan 0.000 0.430 965 Q N 0.750 120.461 119.800 -0.148 0.000 2.133 965 Q HA -0.248 4.092 4.340 -0.000 0.000 0.208 965 Q C 1.838 177.772 176.000 -0.111 0.000 0.991 965 Q CA 1.611 57.285 55.803 -0.215 0.000 0.867 965 Q CB -0.250 28.213 28.738 -0.459 0.000 0.911 965 Q HN 0.512 nan 8.270 nan 0.000 0.417 966 N N 0.072 118.779 118.700 0.012 0.000 2.270 966 N HA -0.078 4.662 4.740 -0.000 0.000 0.181 966 N C 1.587 177.196 175.510 0.166 0.000 1.016 966 N CA 1.098 54.232 53.050 0.141 0.000 0.870 966 N CB -0.152 38.491 38.487 0.260 0.000 0.979 966 N HN 0.227 nan 8.380 nan 0.000 0.431 967 A N 1.672 124.651 122.820 0.266 0.000 1.930 967 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 967 A C 2.069 179.656 177.584 0.005 0.000 1.175 967 A CA 0.927 53.054 52.037 0.150 0.000 0.627 967 A CB -0.255 18.886 19.000 0.236 0.000 0.815 967 A HN 0.181 nan 8.150 nan 0.000 0.443 968 Q N 0.169 119.972 119.800 0.005 0.000 1.554 968 Q HA -0.272 4.068 4.340 -0.000 0.000 0.504 968 Q C 1.978 177.985 176.000 0.012 0.000 0.993 968 Q CA 1.959 57.764 55.803 0.003 0.000 0.887 968 Q CB -1.040 27.714 28.738 0.026 0.000 0.943 968 Q HN 0.943 nan 8.270 nan 0.000 0.379 969 Q N 0.131 119.943 119.800 0.021 0.000 2.656 969 Q HA -0.060 4.280 4.340 -0.000 0.000 0.221 969 Q C 1.116 176.953 176.000 -0.272 0.000 0.974 969 Q CA 1.403 57.176 55.803 -0.051 0.000 0.959 969 Q CB -0.313 28.468 28.738 0.072 0.000 0.989 969 Q HN 0.194 nan 8.270 nan 0.000 0.579 970 T N -0.684 113.751 114.554 -0.198 0.000 3.051 970 T HA 0.142 4.492 4.350 -0.000 0.000 0.255 970 T C -0.160 174.183 174.700 -0.595 0.000 1.085 970 T CA 0.310 62.172 62.100 -0.397 0.000 1.109 970 T CB 0.111 68.711 68.868 -0.446 0.000 0.921 970 T HN 0.369 nan 8.240 nan 0.000 0.488 971 F N 0.707 120.405 119.950 -0.420 0.000 2.735 971 F HA 0.347 4.874 4.527 -0.000 0.000 0.308 971 F C 0.256 175.968 175.800 -0.146 0.000 1.112 971 F CA -1.229 56.607 58.000 -0.275 0.000 1.235 971 F CB -0.311 38.558 39.000 -0.218 0.000 1.027 971 F HN 0.104 nan 8.300 nan 0.000 0.528 972 H N 1.140 120.243 119.070 0.054 0.000 2.262 972 H HA -0.172 4.384 4.556 -0.000 0.000 0.319 972 H C 0.323 175.661 175.328 0.016 0.000 0.947 972 H CA 0.478 56.540 56.048 0.023 0.000 1.060 972 H CB -1.064 28.698 29.762 0.000 0.000 1.605 972 H HN 0.300 nan 8.280 nan 0.000 0.346 973 I N 3.392 124.000 120.570 0.064 0.000 2.337 973 I HA -0.008 4.161 4.170 -0.000 0.000 0.291 973 I C 0.773 176.814 176.117 -0.126 0.000 1.046 973 I CA -0.330 60.956 61.300 -0.023 0.000 1.324 973 I CB 0.839 38.799 38.000 -0.066 0.000 1.409 973 I HN 0.276 nan 8.210 nan 0.000 0.494 974 D N 6.231 126.584 120.400 -0.079 0.000 2.277 974 D HA 0.029 4.669 4.640 -0.000 0.000 0.249 974 D C 0.693 176.933 176.300 -0.100 0.000 1.134 974 D CA -0.324 53.631 54.000 -0.075 0.000 0.863 974 D CB 0.840 41.644 40.800 0.007 0.000 1.143 974 D HN 0.491 nan 8.370 nan 0.000 0.458 975 H N 1.493 120.591 119.070 0.047 0.000 2.570 975 H HA -0.060 4.496 4.556 -0.000 0.000 0.280 975 H C 1.448 176.790 175.328 0.023 0.000 1.038 975 H CA 1.126 57.195 56.048 0.036 0.000 1.186 975 H CB -0.124 29.660 29.762 0.037 0.000 1.339 975 H HN 0.669 nan 8.280 nan 0.000 0.615 976 T N -2.125 112.485 114.554 0.092 0.000 3.246 976 T HA 0.044 4.394 4.350 -0.000 0.000 0.231 976 T C 1.062 175.782 174.700 0.034 0.000 0.986 976 T CA -0.415 61.721 62.100 0.060 0.000 1.340 976 T CB 0.481 69.379 68.868 0.049 0.000 1.063 976 T HN 0.025 nan 8.240 nan 0.000 0.427 977 K N 2.976 123.390 120.400 0.023 0.000 2.457 977 K HA 0.172 4.492 4.320 -0.000 0.000 0.269 977 K C -2.249 174.356 176.600 0.008 0.000 0.969 977 K CA -0.890 55.405 56.287 0.013 0.000 0.921 977 K CB -0.145 32.361 32.500 0.011 0.000 0.940 977 K HN 0.417 nan 8.250 nan 0.000 0.517 978 P HA 0.027 nan 4.420 nan 0.000 0.281 978 P C -0.372 176.923 177.300 -0.008 0.000 1.249 978 P CA -0.378 62.720 63.100 -0.004 0.000 0.810 978 P CB 1.610 33.306 31.700 -0.006 0.000 1.008 979 S N 0.815 116.506 115.700 -0.015 0.000 2.632 979 S HA 0.079 4.549 4.470 -0.000 0.000 0.254 979 S C 0.457 175.041 174.600 -0.026 0.000 1.291 979 S CA 0.402 58.589 58.200 -0.022 0.000 0.974 979 S CB -0.275 62.904 63.200 -0.035 0.000 1.016 979 S HN 0.684 nan 8.310 nan 0.000 0.579 980 D N 0.153 120.531 120.400 -0.035 0.000 2.881 980 D HA 0.161 4.801 4.640 -0.000 0.000 0.325 980 D C -0.665 175.601 176.300 -0.055 0.000 1.621 980 D CA -0.199 53.781 54.000 -0.035 0.000 0.785 980 D CB -1.072 39.718 40.800 -0.018 0.000 1.233 980 D HN 0.347 nan 8.370 nan 0.000 0.447 981 L N 1.047 122.218 121.223 -0.086 0.000 2.307 981 L HA 0.434 4.774 4.340 -0.000 0.000 0.282 981 L C 0.586 177.384 176.870 -0.120 0.000 1.051 981 L CA -0.410 54.346 54.840 -0.140 0.000 0.804 981 L CB 1.732 43.651 42.059 -0.234 0.000 1.197 981 L HN -0.177 nan 8.230 nan 0.000 0.431 982 T N 1.960 116.447 114.554 -0.111 0.000 2.816 982 T HA 0.279 4.629 4.350 -0.000 0.000 0.282 982 T C 1.594 176.230 174.700 -0.107 0.000 0.993 982 T CA -0.450 61.599 62.100 -0.085 0.000 0.994 982 T CB 1.376 70.206 68.868 -0.063 0.000 1.025 982 T HN 0.414 nan 8.240 nan 0.000 0.529 983 I N 0.284 120.806 120.570 -0.080 0.000 2.394 983 I HA -0.095 4.075 4.170 -0.000 0.000 0.251 983 I C 2.613 178.684 176.117 -0.077 0.000 1.136 983 I CA 1.153 62.405 61.300 -0.079 0.000 1.425 983 I CB -0.264 37.706 38.000 -0.050 0.000 1.079 983 I HN 0.643 nan 8.210 nan 0.000 0.425 984 K N 0.761 121.124 120.400 -0.063 0.000 2.097 984 K HA -0.191 4.129 4.320 -0.000 0.000 0.205 984 K C 1.580 178.140 176.600 -0.067 0.000 1.050 984 K CA 1.460 57.717 56.287 -0.049 0.000 0.938 984 K CB 0.008 32.487 32.500 -0.035 0.000 0.718 984 K HN 0.175 nan 8.250 nan 0.000 0.442 985 D N 0.827 121.166 120.400 -0.101 0.000 2.108 985 D HA -0.184 4.456 4.640 -0.000 0.000 0.190 985 D C 1.756 177.929 176.300 -0.210 0.000 0.995 985 D CA 1.251 55.167 54.000 -0.141 0.000 0.834 985 D CB -0.143 40.544 40.800 -0.189 0.000 0.967 985 D HN 0.115 nan 8.370 nan 0.000 0.446 986 I N 0.190 120.564 120.570 -0.326 0.000 2.034 986 I HA -0.280 3.890 4.170 -0.000 0.000 0.228 986 I C 2.455 178.530 176.117 -0.071 0.000 1.041 986 I CA 0.800 61.870 61.300 -0.384 0.000 1.321 986 I CB -0.717 37.087 38.000 -0.328 0.000 1.062 986 I HN -0.082 nan 8.210 nan 0.000 0.389 987 V N 1.147 121.039 119.914 -0.037 0.000 2.428 987 V HA -0.313 3.807 4.120 -0.000 0.000 0.255 987 V C 2.356 178.465 176.094 0.024 0.000 1.080 987 V CA 1.831 64.140 62.300 0.015 0.000 1.083 987 V CB -0.724 31.103 31.823 0.007 0.000 0.665 987 V HN 0.385 nan 8.190 nan 0.000 0.461 988 L N 0.051 121.279 121.223 0.009 0.000 2.072 988 L HA -0.021 4.318 4.340 -0.000 0.000 0.205 988 L C 2.584 179.479 176.870 0.043 0.000 1.079 988 L CA 1.619 56.469 54.840 0.017 0.000 0.752 988 L CB -0.904 41.157 42.059 0.003 0.000 0.906 988 L HN 0.474 nan 8.230 nan 0.000 0.436 989 G N -1.030 107.819 108.800 0.081 0.000 2.443 989 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.219 989 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.219 989 G C 1.532 176.516 174.900 0.139 0.000 1.131 989 G CA 0.635 45.819 45.100 0.141 0.000 0.775 989 G HN 0.193 nan 8.290 nan 0.000 0.547 990 V N 0.519 120.521 119.914 0.148 0.000 2.323 990 V HA -0.074 4.046 4.120 -0.000 0.000 0.244 990 V C 2.603 178.711 176.094 0.024 0.000 1.041 990 V CA 2.052 64.407 62.300 0.092 0.000 1.025 990 V CB -0.331 31.558 31.823 0.109 0.000 0.656 990 V HN 0.369 nan 8.190 nan 0.000 0.451 991 K N -0.467 119.946 120.400 0.022 0.000 2.280 991 K HA -0.215 4.105 4.320 -0.000 0.000 0.202 991 K C 1.877 178.472 176.600 -0.010 0.000 1.047 991 K CA 1.333 57.618 56.287 -0.002 0.000 0.942 991 K CB -0.141 32.359 32.500 0.001 0.000 0.739 991 K HN 0.435 nan 8.250 nan 0.000 0.457 992 D N 0.341 120.743 120.400 0.004 0.000 2.194 992 D HA -0.114 4.525 4.640 -0.000 0.000 0.204 992 D C 1.866 178.154 176.300 -0.021 0.000 0.964 992 D CA 0.449 54.447 54.000 -0.003 0.000 0.846 992 D CB 0.255 41.064 40.800 0.016 0.000 0.962 992 D HN 0.133 nan 8.370 nan 0.000 0.490 993 L N 1.514 122.721 121.223 -0.026 0.000 1.994 993 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 993 L C 2.219 179.039 176.870 -0.083 0.000 1.071 993 L CA 1.705 56.511 54.840 -0.057 0.000 0.745 993 L CB -0.708 41.310 42.059 -0.068 0.000 0.892 993 L HN -0.020 nan 8.230 nan 0.000 0.431 994 Q N -0.612 119.141 119.800 -0.078 0.000 2.376 994 Q HA -0.220 4.120 4.340 -0.000 0.000 0.211 994 Q C 1.687 177.630 176.000 -0.094 0.000 0.986 994 Q CA 1.267 57.014 55.803 -0.093 0.000 0.886 994 Q CB -0.233 28.460 28.738 -0.075 0.000 0.927 994 Q HN 0.579 nan 8.270 nan 0.000 0.457 995 E N 0.228 120.384 120.200 -0.073 0.000 2.285 995 E HA -0.031 4.319 4.350 -0.000 0.000 0.194 995 E C 1.137 177.695 176.600 -0.070 0.000 0.997 995 E CA 0.498 56.861 56.400 -0.061 0.000 0.845 995 E CB 0.097 29.772 29.700 -0.041 0.000 0.782 995 E HN 0.407 nan 8.360 nan 0.000 0.491 996 N N 0.256 118.902 118.700 -0.090 0.000 2.282 996 N HA 0.064 4.804 4.740 -0.000 0.000 0.185 996 N C 0.625 176.051 175.510 -0.139 0.000 1.099 996 N CA 0.019 53.016 53.050 -0.088 0.000 0.878 996 N CB 0.668 39.114 38.487 -0.068 0.000 0.993 996 N HN 0.140 nan 8.380 nan 0.000 0.481 997 L N 2.132 123.195 121.223 -0.266 0.000 2.679 997 L HA 0.112 4.452 4.340 -0.000 0.000 0.241 997 L C -0.238 176.467 176.870 -0.274 0.000 1.441 997 L CA -0.056 54.427 54.840 -0.596 0.000 1.181 997 L CB -1.080 40.398 42.059 -0.969 0.000 1.451 997 L HN -0.118 nan 8.230 nan 0.000 0.446 998 L N 0.600 121.801 121.223 -0.037 0.000 2.361 998 L HA 0.074 4.414 4.340 -0.000 0.000 0.278 998 L C 1.092 178.060 176.870 0.163 0.000 1.113 998 L CA 0.315 55.186 54.840 0.052 0.000 0.849 998 L CB 1.511 43.582 42.059 0.021 0.000 1.155 998 L HN 0.110 nan 8.230 nan 0.000 0.452 999 V N 3.855 123.857 119.914 0.146 0.000 2.521 999 V HA 0.141 4.261 4.120 -0.000 0.000 0.239 999 V C 0.607 176.738 176.094 0.061 0.000 1.053 999 V CA 0.473 62.844 62.300 0.119 0.000 1.073 999 V CB 0.141 32.035 31.823 0.118 0.000 0.746 999 V HN 0.444 nan 8.190 nan 0.000 0.476 1000 L N -0.578 120.677 121.223 0.053 0.000 2.331 1000 L HA 0.449 4.789 4.340 -0.000 0.000 0.275 1000 L C 1.076 177.963 176.870 0.028 0.000 1.022 1000 L CA -0.237 54.629 54.840 0.042 0.000 0.812 1000 L CB 2.202 44.287 42.059 0.043 0.000 1.257 1000 L HN -0.019 nan 8.230 nan 0.000 0.435 1001 R N 1.166 121.680 120.500 0.023 0.000 2.123 1001 R HA 0.197 4.537 4.340 -0.000 0.000 0.209 1001 R C 0.577 176.881 176.300 0.006 0.000 1.078 1001 R CA 0.440 56.546 56.100 0.011 0.000 1.028 1001 R CB 0.032 30.335 30.300 0.004 0.000 0.939 1001 R HN 0.864 nan 8.270 nan 0.000 0.463 1002 G N 1.818 110.624 108.800 0.011 0.000 2.969 1002 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.303 1002 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.303 1002 G C -0.250 174.650 174.900 0.000 0.000 0.230 1002 G CA 0.367 45.471 45.100 0.007 0.000 1.225 1002 G HN 0.172 nan 8.290 nan 0.000 0.295 1003 K N 1.284 121.683 120.400 -0.001 0.000 3.101 1003 K HA 0.293 4.613 4.320 -0.000 0.000 0.229 1003 K C 0.624 177.221 176.600 -0.005 0.000 1.232 1003 K CA 0.057 56.341 56.287 -0.004 0.000 1.210 1003 K CB -0.320 32.177 32.500 -0.004 0.000 1.284 1003 K HN 0.929 nan 8.250 nan 0.000 0.448 1004 N N -3.218 115.478 118.700 -0.006 0.000 3.378 1004 N HA 0.084 4.824 4.740 -0.000 0.000 0.294 1004 N C 0.262 175.766 175.510 -0.011 0.000 1.544 1004 N CA -0.695 52.350 53.050 -0.008 0.000 0.872 1004 N CB 0.543 39.026 38.487 -0.007 0.000 1.670 1004 N HN -0.142 nan 8.380 nan 0.000 0.551 1005 E N 0.186 120.378 120.200 -0.014 0.000 2.021 1005 E HA 0.241 4.590 4.350 -0.000 0.000 0.189 1005 E C 1.453 178.039 176.600 -0.023 0.000 0.980 1005 E CA 1.303 57.692 56.400 -0.018 0.000 0.803 1005 E CB -0.326 29.364 29.700 -0.018 0.000 0.766 1005 E HN 0.574 nan 8.360 nan 0.000 0.449 1006 I N 0.971 121.526 120.570 -0.026 0.000 2.091 1006 I HA -0.341 3.829 4.170 -0.000 0.000 0.240 1006 I C 2.148 178.243 176.117 -0.036 0.000 1.046 1006 I CA 1.161 62.439 61.300 -0.037 0.000 1.306 1006 I CB -0.430 37.546 38.000 -0.040 0.000 1.018 1006 I HN 0.271 nan 8.210 nan 0.000 0.404 1007 I N 0.076 120.633 120.570 -0.022 0.000 2.090 1007 I HA -0.266 3.904 4.170 -0.000 0.000 0.236 1007 I C 2.516 178.627 176.117 -0.010 0.000 1.064 1007 I CA 1.533 62.826 61.300 -0.011 0.000 1.324 1007 I CB -1.423 36.578 38.000 0.002 0.000 1.044 1007 I HN 0.382 nan 8.210 nan 0.000 0.399 1008 Q N 0.573 120.366 119.800 -0.011 0.000 2.376 1008 Q HA -0.196 4.144 4.340 -0.000 0.000 0.211 1008 Q C 1.824 177.813 176.000 -0.018 0.000 0.986 1008 Q CA 0.914 56.709 55.803 -0.012 0.000 0.886 1008 Q CB -0.468 28.261 28.738 -0.014 0.000 0.927 1008 Q HN 0.504 nan 8.270 nan 0.000 0.457 1009 N N -0.077 118.609 118.700 -0.023 0.000 2.290 1009 N HA -0.018 4.722 4.740 -0.000 0.000 0.179 1009 N C 1.494 176.987 175.510 -0.029 0.000 1.016 1009 N CA 0.946 53.978 53.050 -0.029 0.000 0.871 1009 N CB 0.152 38.618 38.487 -0.035 0.000 0.987 1009 N HN 0.183 nan 8.380 nan 0.000 0.431 1010 A N 0.873 123.677 122.820 -0.027 0.000 1.933 1010 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 1010 A C 2.125 179.706 177.584 -0.004 0.000 1.175 1010 A CA 1.563 53.589 52.037 -0.019 0.000 0.628 1010 A CB -0.636 18.356 19.000 -0.013 0.000 0.814 1010 A HN 0.336 nan 8.150 nan 0.000 0.444 1011 Q N 0.432 120.230 119.800 -0.002 0.000 1.998 1011 Q HA -0.249 4.091 4.340 -0.000 0.000 0.209 1011 Q C 2.108 178.105 176.000 -0.005 0.000 1.002 1011 Q CA 2.570 58.376 55.803 0.004 0.000 0.858 1011 Q CB -0.439 28.297 28.738 -0.003 0.000 0.932 1011 Q HN 0.663 nan 8.270 nan 0.000 0.416 1012 R N 0.239 120.726 120.500 -0.022 0.000 2.117 1012 R HA -0.173 4.167 4.340 -0.000 0.000 0.243 1012 R C 2.037 178.312 176.300 -0.041 0.000 1.143 1012 R CA 1.476 57.553 56.100 -0.039 0.000 0.968 1012 R CB -0.479 29.791 30.300 -0.050 0.000 0.863 1012 R HN 0.515 nan 8.270 nan 0.000 0.444 1013 D N 0.653 121.036 120.400 -0.030 0.000 2.077 1013 D HA -0.140 4.500 4.640 -0.000 0.000 0.193 1013 D C 1.909 178.204 176.300 -0.009 0.000 0.989 1013 D CA 1.621 55.606 54.000 -0.025 0.000 0.831 1013 D CB -0.297 40.493 40.800 -0.016 0.000 0.979 1013 D HN 0.246 nan 8.370 nan 0.000 0.449 1014 A N 0.820 123.647 122.820 0.012 0.000 2.024 1014 A HA -0.116 4.204 4.320 -0.000 0.000 0.220 1014 A C 2.491 180.109 177.584 0.058 0.000 1.164 1014 A CA 1.220 53.276 52.037 0.030 0.000 0.643 1014 A CB -0.453 18.573 19.000 0.043 0.000 0.806 1014 A HN 0.167 nan 8.150 nan 0.000 0.451 1015 V N -1.044 118.905 119.914 0.058 0.000 2.500 1015 V HA -0.143 3.977 4.120 -0.000 0.000 0.243 1015 V C 2.426 178.569 176.094 0.081 0.000 1.039 1015 V CA 1.783 64.145 62.300 0.103 0.000 1.053 1015 V CB -1.416 30.440 31.823 0.055 0.000 0.695 1015 V HN 0.560 nan 8.190 nan 0.000 0.463 1016 T N 1.615 116.158 114.554 -0.020 0.000 2.502 1016 T HA -0.403 3.947 4.350 -0.000 0.000 0.238 1016 T C 1.829 176.471 174.700 -0.097 0.000 1.324 1016 T CA 2.648 64.675 62.100 -0.120 0.000 1.111 1016 T CB -0.829 67.906 68.868 -0.222 0.000 0.835 1016 T HN 0.297 nan 8.240 nan 0.000 0.449 1017 L N 0.498 121.702 121.223 -0.032 0.000 2.021 1017 L HA -0.058 4.282 4.340 -0.000 0.000 0.215 1017 L C 2.073 179.008 176.870 0.109 0.000 1.074 1017 L CA 1.801 56.662 54.840 0.036 0.000 0.760 1017 L CB -1.358 40.745 42.059 0.073 0.000 0.889 1017 L HN 0.350 nan 8.230 nan 0.000 0.433 1018 F N 0.060 120.021 119.950 0.018 0.000 2.026 1018 F HA -0.304 4.223 4.527 -0.000 0.000 0.296 1018 F C 2.684 178.486 175.800 0.003 0.000 1.133 1018 F CA 1.961 59.990 58.000 0.049 0.000 1.188 1018 F CB -1.145 37.923 39.000 0.113 0.000 0.968 1018 F HN 0.249 nan 8.300 nan 0.000 0.476 1019 C N 0.585 119.832 119.300 -0.088 0.000 2.366 1019 C HA -0.377 4.083 4.460 -0.000 0.000 0.271 1019 C C 3.066 177.914 174.990 -0.237 0.000 1.152 1019 C CA 1.218 60.099 59.018 -0.228 0.000 1.809 1019 C CB -2.067 25.604 27.740 -0.115 0.000 2.107 1019 C HN 0.768 nan 8.230 nan 0.000 0.455 1020 C N 0.200 119.405 119.300 -0.159 0.000 2.398 1020 C HA -0.169 4.291 4.460 -0.000 0.000 0.276 1020 C C 2.512 177.440 174.990 -0.103 0.000 1.222 1020 C CA 1.357 60.307 59.018 -0.113 0.000 1.746 1020 C CB -1.763 25.935 27.740 -0.069 0.000 2.039 1020 C HN 0.695 nan 8.230 nan 0.000 0.470 1021 L N 0.649 121.793 121.223 -0.132 0.000 2.083 1021 L HA -0.058 4.282 4.340 -0.000 0.000 0.209 1021 L C 2.256 179.005 176.870 -0.201 0.000 1.083 1021 L CA 1.645 56.413 54.840 -0.119 0.000 0.752 1021 L CB -0.818 41.176 42.059 -0.109 0.000 0.899 1021 L HN 0.259 nan 8.230 nan 0.000 0.433 1022 L N -0.121 120.865 121.223 -0.395 0.000 2.046 1022 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 1022 L C 2.632 179.407 176.870 -0.158 0.000 1.077 1022 L CA 1.754 56.368 54.840 -0.376 0.000 0.747 1022 L CB -0.652 41.074 42.059 -0.556 0.000 0.896 1022 L HN 0.296 nan 8.230 nan 0.000 0.432 1023 R N -1.515 118.918 120.500 -0.111 0.000 2.153 1023 R HA -0.019 4.321 4.340 -0.000 0.000 0.218 1023 R C 2.406 178.743 176.300 0.062 0.000 1.072 1023 R CA 0.984 57.072 56.100 -0.020 0.000 0.990 1023 R CB -0.488 29.794 30.300 -0.031 0.000 0.889 1023 R HN 0.395 nan 8.270 nan 0.000 0.452 1024 S N 0.630 116.361 115.700 0.053 0.000 2.423 1024 S HA -0.058 4.412 4.470 -0.000 0.000 0.231 1024 S C 1.558 176.292 174.600 0.222 0.000 1.014 1024 S CA 0.917 59.218 58.200 0.168 0.000 0.965 1024 S CB 0.146 63.402 63.200 0.092 0.000 0.785 1024 S HN 0.193 nan 8.310 nan 0.000 0.495 1025 R N 0.070 120.641 120.500 0.119 0.000 2.404 1025 R HA 0.383 4.723 4.340 -0.000 0.000 0.237 1025 R C 0.299 176.712 176.300 0.187 0.000 0.907 1025 R CA 0.103 56.298 56.100 0.159 0.000 1.063 1025 R CB -0.053 30.303 30.300 0.093 0.000 1.134 1025 R HN 0.395 nan 8.270 nan 0.000 0.529 1026 L N 0.950 122.247 121.223 0.123 0.000 3.255 1026 L HA 0.454 4.794 4.340 -0.000 0.000 0.293 1026 L C 0.039 176.993 176.870 0.140 0.000 1.302 1026 L CA -0.497 54.437 54.840 0.156 0.000 0.977 1026 L CB 0.982 43.098 42.059 0.095 0.000 1.390 1026 L HN -0.095 nan 8.230 nan 0.000 0.588 1027 A N -0.435 122.443 122.820 0.096 0.000 2.340 1027 A HA 0.456 4.776 4.320 -0.000 0.000 0.268 1027 A C 1.363 178.949 177.584 0.004 0.000 1.100 1027 A CA -0.096 51.979 52.037 0.064 0.000 0.803 1027 A CB 0.619 19.679 19.000 0.100 0.000 1.043 1027 A HN 0.316 nan 8.150 nan 0.000 0.488 1028 T N 1.623 116.177 114.554 0.001 0.000 2.570 1028 T HA -0.201 4.149 4.350 -0.000 0.000 0.266 1028 T C 2.117 176.764 174.700 -0.088 0.000 1.071 1028 T CA 1.702 63.782 62.100 -0.034 0.000 1.172 1028 T CB -0.272 68.579 68.868 -0.028 0.000 0.864 1028 T HN 0.617 nan 8.240 nan 0.000 0.421 1029 R N 0.730 121.155 120.500 -0.124 0.000 2.113 1029 R HA -0.077 4.263 4.340 -0.000 0.000 0.244 1029 R C 2.641 178.785 176.300 -0.260 0.000 1.142 1029 R CA 1.673 57.662 56.100 -0.185 0.000 0.953 1029 R CB -0.540 29.625 30.300 -0.225 0.000 0.860 1029 R HN 0.390 nan 8.270 nan 0.000 0.438 1030 R N -0.306 119.986 120.500 -0.347 0.000 2.088 1030 R HA -0.118 4.222 4.340 -0.000 0.000 0.232 1030 R C 2.366 178.382 176.300 -0.474 0.000 1.136 1030 R CA 1.849 57.657 56.100 -0.487 0.000 0.926 1030 R CB -0.490 29.533 30.300 -0.461 0.000 0.837 1030 R HN 0.031 nan 8.270 nan 0.000 0.429 1031 V N 1.174 121.006 119.914 -0.136 0.000 2.278 1031 V HA -0.301 3.819 4.120 -0.000 0.000 0.251 1031 V C 2.170 178.296 176.094 0.053 0.000 1.062 1031 V CA 1.976 64.359 62.300 0.138 0.000 1.038 1031 V CB -0.455 31.512 31.823 0.240 0.000 0.646 1031 V HN 0.316 nan 8.190 nan 0.000 0.447 1032 L N -1.450 119.743 121.223 -0.051 0.000 2.307 1032 L HA 0.012 4.352 4.340 -0.000 0.000 0.211 1032 L C 2.413 179.243 176.870 -0.067 0.000 1.099 1032 L CA 1.179 55.991 54.840 -0.048 0.000 0.816 1032 L CB -0.334 41.687 42.059 -0.063 0.000 0.952 1032 L HN 0.286 nan 8.230 nan 0.000 0.455 1033 Q N -0.341 119.381 119.800 -0.130 0.000 2.387 1033 Q HA -0.048 4.292 4.340 -0.000 0.000 0.212 1033 Q C 1.843 177.759 176.000 -0.140 0.000 0.925 1033 Q CA 0.456 56.187 55.803 -0.120 0.000 0.901 1033 Q CB 0.496 29.149 28.738 -0.142 0.000 1.020 1033 Q HN 0.475 nan 8.270 nan 0.000 0.545 1034 E N -0.184 119.843 120.200 -0.288 0.000 2.028 1034 E HA -0.120 4.230 4.350 -0.000 0.000 0.190 1034 E C -0.278 176.228 176.600 -0.157 0.000 0.984 1034 E CA 0.914 57.112 56.400 -0.337 0.000 0.800 1034 E CB 0.200 29.513 29.700 -0.645 0.000 0.758 1034 E HN 0.329 nan 8.360 nan 0.000 0.448 1035 Y N -0.060 120.255 120.300 0.025 0.000 2.837 1035 Y HA 0.401 4.951 4.550 -0.000 0.000 0.356 1035 Y C -0.616 175.302 175.900 0.031 0.000 1.035 1035 Y CA -1.166 56.965 58.100 0.052 0.000 1.165 1035 Y CB 0.068 38.547 38.460 0.032 0.000 1.147 1035 Y HN -0.307 nan 8.280 nan 0.000 0.628 1036 R N 3.066 123.656 120.500 0.151 0.000 3.908 1036 R HA -0.037 4.303 4.340 -0.000 0.000 0.299 1036 R C -0.290 176.043 176.300 0.055 0.000 0.624 1036 R CA 0.482 56.625 56.100 0.071 0.000 0.997 1036 R CB -0.472 29.843 30.300 0.026 0.000 0.917 1036 R HN 0.730 nan 8.270 nan 0.000 0.339 1037 L N 1.350 122.625 121.223 0.088 0.000 2.387 1037 L HA 0.322 4.662 4.340 -0.000 0.000 0.266 1037 L C 1.530 178.408 176.870 0.014 0.000 1.059 1037 L CA -0.529 54.345 54.840 0.056 0.000 0.801 1037 L CB 1.411 43.571 42.059 0.168 0.000 1.223 1037 L HN 0.530 nan 8.230 nan 0.000 0.456 1038 T N -2.030 112.507 114.554 -0.028 0.000 2.893 1038 T HA 0.207 4.557 4.350 -0.000 0.000 0.281 1038 T C 0.778 175.476 174.700 -0.003 0.000 1.027 1038 T CA -0.466 61.621 62.100 -0.023 0.000 0.953 1038 T CB 1.404 70.258 68.868 -0.023 0.000 1.434 1038 T HN 0.503 nan 8.240 nan 0.000 0.597 1039 K N -0.136 120.264 120.400 0.000 0.000 2.076 1039 K HA 0.036 4.356 4.320 -0.000 0.000 0.204 1039 K C 2.423 179.063 176.600 0.068 0.000 1.051 1039 K CA 1.710 58.009 56.287 0.019 0.000 0.949 1039 K CB -0.738 31.768 32.500 0.010 0.000 0.726 1039 K HN 0.716 nan 8.250 nan 0.000 0.443 1040 Q N -0.246 119.578 119.800 0.040 0.000 2.020 1040 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 1040 Q C 1.933 177.858 176.000 -0.126 0.000 0.982 1040 Q CA 1.795 57.632 55.803 0.056 0.000 0.838 1040 Q CB -0.367 28.463 28.738 0.153 0.000 0.899 1040 Q HN 0.382 nan 8.270 nan 0.000 0.423 1041 A N 0.527 123.095 122.820 -0.420 0.000 1.884 1041 A HA -0.253 4.067 4.320 -0.000 0.000 0.219 1041 A C 1.886 179.365 177.584 -0.175 0.000 1.197 1041 A CA 1.702 53.307 52.037 -0.719 0.000 0.637 1041 A CB -1.228 17.472 19.000 -0.499 0.000 0.827 1041 A HN 0.601 nan 8.150 nan 0.000 0.450 1042 F N 1.020 120.884 119.950 -0.142 0.000 2.026 1042 F HA -0.221 4.306 4.527 -0.000 0.000 0.296 1042 F C 2.034 177.836 175.800 0.003 0.000 1.133 1042 F CA 2.404 60.376 58.000 -0.047 0.000 1.188 1042 F CB -0.353 38.628 39.000 -0.033 0.000 0.968 1042 F HN 0.264 nan 8.300 nan 0.000 0.476 1043 D N -1.066 119.484 120.400 0.251 0.000 2.280 1043 D HA -0.267 4.373 4.640 -0.000 0.000 0.206 1043 D C 1.732 178.104 176.300 0.121 0.000 0.988 1043 D CA 1.361 55.460 54.000 0.166 0.000 0.886 1043 D CB -0.528 40.378 40.800 0.177 0.000 0.914 1043 D HN 0.519 nan 8.370 nan 0.000 0.473 1044 W N 0.920 122.174 121.300 -0.077 0.000 2.488 1044 W HA -0.101 4.559 4.660 -0.000 0.000 0.304 1044 W C 2.222 178.675 176.519 -0.111 0.000 1.175 1044 W CA 0.603 57.922 57.345 -0.043 0.000 1.365 1044 W CB -0.454 29.012 29.460 0.009 0.000 1.131 1044 W HN -0.273 nan 8.180 nan 0.000 0.520 1045 V N 1.745 121.636 119.914 -0.038 0.000 2.324 1045 V HA -0.367 3.753 4.120 -0.000 0.000 0.250 1045 V C 2.325 178.204 176.094 -0.359 0.000 1.060 1045 V CA 2.032 64.172 62.300 -0.267 0.000 1.042 1045 V CB -1.327 30.340 31.823 -0.261 0.000 0.650 1045 V HN 0.250 nan 8.190 nan 0.000 0.450 1046 L N 0.223 121.228 121.223 -0.363 0.000 1.955 1046 L HA -0.217 4.123 4.340 -0.000 0.000 0.213 1046 L C 2.822 179.563 176.870 -0.216 0.000 1.072 1046 L CA 2.137 56.801 54.840 -0.294 0.000 0.755 1046 L CB -0.950 40.962 42.059 -0.245 0.000 0.888 1046 L HN 0.474 nan 8.230 nan 0.000 0.432 1047 S N 0.054 115.638 115.700 -0.192 0.000 2.389 1047 S HA -0.254 4.216 4.470 -0.000 0.000 0.231 1047 S C 1.821 176.283 174.600 -0.231 0.000 1.052 1047 S CA 1.997 60.093 58.200 -0.173 0.000 1.053 1047 S CB -0.328 62.786 63.200 -0.142 0.000 0.886 1047 S HN 0.419 nan 8.310 nan 0.000 0.456 1048 N N 1.051 119.523 118.700 -0.380 0.000 2.092 1048 N HA 0.030 4.770 4.740 -0.000 0.000 0.189 1048 N C 1.936 177.323 175.510 -0.204 0.000 1.040 1048 N CA 1.561 54.387 53.050 -0.374 0.000 0.845 1048 N CB -0.597 37.516 38.487 -0.624 0.000 1.017 1048 N HN 0.439 nan 8.380 nan 0.000 0.426 1049 I N 1.740 122.203 120.570 -0.179 0.000 2.113 1049 I HA -0.367 3.803 4.170 -0.000 0.000 0.242 1049 I C 2.589 178.715 176.117 0.014 0.000 1.057 1049 I CA 1.588 62.864 61.300 -0.041 0.000 1.314 1049 I CB -0.366 37.613 38.000 -0.035 0.000 1.022 1049 I HN 0.333 nan 8.210 nan 0.000 0.408 1050 E N 1.266 121.439 120.200 -0.045 0.000 2.021 1050 E HA -0.291 4.059 4.350 -0.000 0.000 0.200 1050 E C 2.187 178.797 176.600 0.016 0.000 1.015 1050 E CA 1.927 58.312 56.400 -0.027 0.000 0.824 1050 E CB -0.266 29.397 29.700 -0.061 0.000 0.762 1050 E HN 0.443 nan 8.360 nan 0.000 0.454 1051 A N 0.371 123.169 122.820 -0.036 0.000 1.892 1051 A HA -0.312 4.008 4.320 -0.000 0.000 0.218 1051 A C 2.249 179.818 177.584 -0.025 0.000 1.188 1051 A CA 2.082 54.098 52.037 -0.035 0.000 0.631 1051 A CB -0.932 18.026 19.000 -0.070 0.000 0.822 1051 A HN 0.498 nan 8.150 nan 0.000 0.447 1052 Q N -1.998 117.783 119.800 -0.032 0.000 2.181 1052 Q HA -0.160 4.180 4.340 -0.000 0.000 0.205 1052 Q C 1.735 177.710 176.000 -0.041 0.000 0.980 1052 Q CA 1.809 57.591 55.803 -0.034 0.000 0.862 1052 Q CB -0.278 28.443 28.738 -0.028 0.000 0.905 1052 Q HN 0.733 nan 8.270 nan 0.000 0.429 1053 F N 0.190 120.051 119.950 -0.147 0.000 2.039 1053 F HA -0.174 4.353 4.527 -0.000 0.000 0.294 1053 F C 1.551 177.227 175.800 -0.206 0.000 1.130 1053 F CA 1.358 59.228 58.000 -0.216 0.000 1.189 1053 F CB -0.192 38.673 39.000 -0.224 0.000 0.983 1053 F HN 0.004 nan 8.300 nan 0.000 0.471 1054 L N 0.319 121.601 121.223 0.098 0.000 2.351 1054 L HA -0.234 4.106 4.340 -0.000 0.000 0.220 1054 L C 2.365 179.128 176.870 -0.178 0.000 1.127 1054 L CA 1.048 55.876 54.840 -0.021 0.000 0.786 1054 L CB -0.615 41.462 42.059 0.030 0.000 0.914 1054 L HN 0.195 nan 8.230 nan 0.000 0.443 1055 R N -1.166 119.209 120.500 -0.209 0.000 2.173 1055 R HA 0.053 4.393 4.340 -0.000 0.000 0.208 1055 R C 1.840 177.824 176.300 -0.527 0.000 1.035 1055 R CA 0.655 56.601 56.100 -0.258 0.000 1.004 1055 R CB -0.079 30.117 30.300 -0.173 0.000 0.917 1055 R HN 0.187 nan 8.270 nan 0.000 0.462 1056 S N 0.947 116.295 115.700 -0.586 0.000 2.710 1056 S HA 0.102 4.572 4.470 -0.000 0.000 0.224 1056 S C 0.536 174.821 174.600 -0.525 0.000 0.948 1056 S CA -0.112 57.677 58.200 -0.684 0.000 0.949 1056 S CB 0.132 63.045 63.200 -0.479 0.000 0.778 1056 S HN -0.054 nan 8.310 nan 0.000 0.498 1057 V N 1.602 121.237 119.914 -0.465 0.000 2.904 1057 V HA 0.260 4.380 4.120 -0.000 0.000 0.305 1057 V C 0.640 176.620 176.094 -0.190 0.000 1.067 1057 V CA -0.724 61.375 62.300 -0.334 0.000 1.044 1057 V CB 1.388 33.037 31.823 -0.290 0.000 1.050 1057 V HN 0.053 nan 8.190 nan 0.000 0.475 1058 V N 2.694 122.570 119.914 -0.063 0.000 2.686 1058 V HA 0.147 4.267 4.120 -0.000 0.000 0.295 1058 V C 0.287 176.378 176.094 -0.005 0.000 1.055 1058 V CA -0.401 61.937 62.300 0.063 0.000 1.050 1058 V CB 0.493 32.427 31.823 0.185 0.000 0.984 1058 V HN 0.754 nan 8.190 nan 0.000 0.482 1059 H N 4.391 123.465 119.070 0.006 0.000 2.604 1059 H HA 0.238 4.794 4.556 -0.000 0.000 0.306 1059 H C -2.311 173.004 175.328 -0.020 0.000 1.075 1059 H CA -1.784 54.271 56.048 0.012 0.000 1.357 1059 H CB 1.496 31.269 29.762 0.019 0.000 1.426 1059 H HN 0.426 nan 8.280 nan 0.000 0.470 1060 P HA 0.044 nan 4.420 nan 0.000 0.264 1060 P C 0.784 177.964 177.300 -0.200 0.000 1.229 1060 P CA 0.786 63.829 63.100 -0.095 0.000 0.780 1060 P CB 0.616 32.292 31.700 -0.040 0.000 0.808 1061 G N 2.440 111.118 108.800 -0.203 0.000 3.110 1061 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.205 1061 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.205 1061 G C -0.027 174.781 174.900 -0.153 0.000 1.019 1061 G CA -0.485 44.512 45.100 -0.172 0.000 0.826 1061 G HN 0.418 nan 8.290 nan 0.000 0.481 1062 E N 2.008 122.127 120.200 -0.136 0.000 2.498 1062 E HA 0.102 4.452 4.350 -0.000 0.000 0.252 1062 E C 0.672 177.138 176.600 -0.223 0.000 1.025 1062 E CA 0.222 56.528 56.400 -0.157 0.000 0.938 1062 E CB 0.348 29.953 29.700 -0.159 0.000 0.947 1062 E HN 0.189 nan 8.360 nan 0.000 0.478 1063 M N 4.402 123.890 119.600 -0.187 0.000 3.759 1063 M HA -0.030 4.450 4.480 -0.000 0.000 0.190 1063 M C 1.282 177.459 176.300 -0.204 0.000 1.478 1063 M CA -0.069 55.116 55.300 -0.192 0.000 1.691 1063 M CB -1.104 31.407 32.600 -0.149 0.000 1.113 1063 M HN 0.254 nan 8.290 nan 0.000 0.542 1064 V N 0.690 120.432 119.914 -0.285 0.000 2.277 1064 V HA -0.339 3.781 4.120 -0.000 0.000 0.255 1064 V C 2.427 178.425 176.094 -0.160 0.000 1.074 1064 V CA 2.507 64.624 62.300 -0.305 0.000 1.058 1064 V CB -1.666 29.804 31.823 -0.588 0.000 0.656 1064 V HN 0.726 nan 8.190 nan 0.000 0.449 1065 G N -0.092 108.613 108.800 -0.159 0.000 2.586 1065 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.218 1065 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.218 1065 G C 1.626 176.453 174.900 -0.122 0.000 1.216 1065 G CA 1.671 46.697 45.100 -0.123 0.000 0.786 1065 G HN 0.416 nan 8.290 nan 0.000 0.583 1066 V N 1.058 120.891 119.914 -0.134 0.000 2.324 1066 V HA -0.170 3.950 4.120 -0.000 0.000 0.250 1066 V C 2.698 178.712 176.094 -0.133 0.000 1.060 1066 V CA 1.589 63.810 62.300 -0.132 0.000 1.042 1066 V CB -0.659 31.091 31.823 -0.123 0.000 0.650 1066 V HN 0.323 nan 8.190 nan 0.000 0.450 1067 L N 0.900 122.046 121.223 -0.129 0.000 1.955 1067 L HA -0.151 4.189 4.340 -0.000 0.000 0.213 1067 L C 2.628 179.354 176.870 -0.240 0.000 1.072 1067 L CA 2.848 57.600 54.840 -0.146 0.000 0.755 1067 L CB -1.642 40.367 42.059 -0.083 0.000 0.888 1067 L HN 0.323 nan 8.230 nan 0.000 0.432 1068 A N -0.326 122.415 122.820 -0.132 0.000 1.948 1068 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 1068 A C 2.433 179.916 177.584 -0.168 0.000 1.177 1068 A CA 2.362 54.332 52.037 -0.111 0.000 0.636 1068 A CB -0.979 18.147 19.000 0.210 0.000 0.815 1068 A HN 0.648 nan 8.150 nan 0.000 0.449 1069 A N -0.598 122.140 122.820 -0.137 0.000 1.829 1069 A HA -0.269 4.051 4.320 -0.000 0.000 0.216 1069 A C 2.108 179.605 177.584 -0.146 0.000 1.207 1069 A CA 1.854 53.808 52.037 -0.138 0.000 0.622 1069 A CB -0.952 17.958 19.000 -0.150 0.000 0.846 1069 A HN 0.639 nan 8.150 nan 0.000 0.447 1070 Q N -0.334 119.379 119.800 -0.146 0.000 2.029 1070 Q HA -0.196 4.144 4.340 -0.000 0.000 0.209 1070 Q C 2.386 178.312 176.000 -0.122 0.000 0.999 1070 Q CA 1.988 57.721 55.803 -0.117 0.000 0.857 1070 Q CB -0.488 28.198 28.738 -0.086 0.000 0.926 1070 Q HN 0.639 nan 8.270 nan 0.000 0.415 1071 S N 0.456 116.029 115.700 -0.212 0.000 2.444 1071 S HA -0.177 4.293 4.470 -0.000 0.000 0.244 1071 S C 1.789 176.305 174.600 -0.140 0.000 1.025 1071 S CA 1.124 59.176 58.200 -0.246 0.000 0.995 1071 S CB -0.181 62.625 63.200 -0.657 0.000 0.781 1071 S HN 0.304 nan 8.310 nan 0.000 0.496 1072 I N -0.114 120.385 120.570 -0.118 0.000 2.927 1072 I HA 0.071 4.240 4.170 -0.000 0.000 0.268 1072 I C 2.447 178.525 176.117 -0.065 0.000 1.153 1072 I CA 0.653 61.915 61.300 -0.063 0.000 1.459 1072 I CB -0.421 37.554 38.000 -0.043 0.000 1.149 1072 I HN 0.343 nan 8.210 nan 0.000 0.443 1073 G N 0.239 108.990 108.800 -0.081 0.000 2.744 1073 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.211 1073 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.211 1073 G C 1.454 176.305 174.900 -0.083 0.000 1.143 1073 G CA 0.188 45.240 45.100 -0.080 0.000 0.788 1073 G HN 0.226 nan 8.290 nan 0.000 0.534 1074 E N 1.292 121.441 120.200 -0.085 0.000 2.057 1074 E HA 0.000 4.350 4.350 -0.000 0.000 0.190 1074 E C -0.376 176.174 176.600 -0.084 0.000 0.969 1074 E CA 0.326 56.656 56.400 -0.117 0.000 0.812 1074 E CB -0.426 29.194 29.700 -0.134 0.000 0.777 1074 E HN 0.308 nan 8.360 nan 0.000 0.455 1075 P HA -0.024 nan 4.420 nan 0.000 0.242 1075 P C 0.437 177.713 177.300 -0.039 0.000 1.198 1075 P CA 0.863 63.944 63.100 -0.032 0.000 0.756 1075 P CB 0.030 31.719 31.700 -0.019 0.000 0.911 1076 A N -0.581 122.210 122.820 -0.049 0.000 2.115 1076 A HA 0.082 4.402 4.320 -0.000 0.000 0.211 1076 A C 1.973 179.532 177.584 -0.041 0.000 1.169 1076 A CA 0.932 52.944 52.037 -0.043 0.000 0.787 1076 A CB -0.839 18.134 19.000 -0.044 0.000 0.858 1076 A HN 0.127 nan 8.150 nan 0.000 0.474 1077 T N 0.069 114.590 114.554 -0.054 0.000 3.081 1077 T HA 0.023 4.373 4.350 -0.000 0.000 0.250 1077 T C 1.259 175.932 174.700 -0.046 0.000 1.100 1077 T CA 0.496 62.565 62.100 -0.052 0.000 1.038 1077 T CB 0.060 68.886 68.868 -0.071 0.000 0.962 1077 T HN 0.331 nan 8.240 nan 0.000 0.516 1078 Q N 0.601 120.375 119.800 -0.044 0.000 2.280 1078 Q HA 0.298 4.638 4.340 -0.000 0.000 0.202 1078 Q C 0.162 176.148 176.000 -0.022 0.000 0.903 1078 Q CA 0.119 55.903 55.803 -0.031 0.000 0.948 1078 Q CB -0.044 28.678 28.738 -0.026 0.000 1.058 1078 Q HN 0.543 nan 8.270 nan 0.000 0.493 1079 M N 1.533 121.119 119.600 -0.024 0.000 2.435 1079 M HA 0.143 4.623 4.480 -0.000 0.000 0.344 1079 M C -0.407 175.883 176.300 -0.015 0.000 1.329 1079 M CA 0.160 55.449 55.300 -0.020 0.000 1.320 1079 M CB 0.363 32.950 32.600 -0.022 0.000 1.309 1079 M HN -0.240 nan 8.290 nan 0.000 0.451 1080 T N 5.067 119.615 114.554 -0.011 0.000 2.891 1080 T HA 0.636 4.986 4.350 -0.000 0.000 0.315 1080 T C -0.059 174.638 174.700 -0.005 0.000 1.054 1080 T CA -0.118 61.977 62.100 -0.008 0.000 0.958 1080 T CB 0.447 69.312 68.868 -0.005 0.000 1.008 1080 T HN 0.525 nan 8.240 nan 0.000 0.521 1093 K N 2.582 122.992 120.400 0.017 0.000 2.184 1093 K HA 0.279 4.599 4.320 -0.000 0.000 0.259 1093 K C -0.133 176.473 176.600 0.009 0.000 1.119 1093 K CA -0.167 56.125 56.287 0.008 0.000 0.991 1093 K CB 0.954 33.454 32.500 0.001 0.000 1.522 1093 K HN -0.095 nan 8.250 nan 0.000 0.405 1094 V N 0.006 119.926 119.914 0.010 0.000 5.546 1094 V HA 0.209 4.329 4.120 -0.000 0.000 0.279 1094 V C 0.821 176.919 176.094 0.007 0.000 1.521 1094 V CA -0.675 61.632 62.300 0.011 0.000 0.732 1094 V CB 1.366 33.199 31.823 0.016 0.000 1.397 1094 V HN 0.438 nan 8.190 nan 0.000 0.420 1095 T N 0.250 114.808 114.554 0.007 0.000 3.260 1095 T HA 0.331 4.681 4.350 -0.000 0.000 0.254 1095 T C 0.654 175.355 174.700 0.001 0.000 0.951 1095 T CA 0.565 62.669 62.100 0.006 0.000 0.918 1095 T CB -0.129 68.746 68.868 0.012 0.000 1.098 1095 T HN 0.595 nan 8.240 nan 0.000 0.563 1096 S N 0.942 116.641 115.700 -0.002 0.000 3.917 1096 S HA -0.231 4.239 4.470 -0.000 0.000 0.601 1096 S C 1.623 176.214 174.600 -0.015 0.000 2.206 1096 S CA 1.423 59.618 58.200 -0.008 0.000 4.167 1096 S CB -1.239 61.957 63.200 -0.007 0.000 0.372 1096 S HN 0.764 nan 8.310 nan 0.000 0.766 1097 G N -0.883 107.907 108.800 -0.016 0.000 2.446 1097 G HA2 0.378 4.338 3.960 -0.000 0.000 0.202 1097 G HA3 0.378 4.338 3.960 -0.000 0.000 0.202 1097 G C 1.129 176.020 174.900 -0.015 0.000 1.842 1097 G CA 0.542 45.628 45.100 -0.023 0.000 0.703 1097 G HN 0.704 nan 8.290 nan 0.000 0.731 1098 V N 3.382 123.289 119.914 -0.011 0.000 2.250 1098 V HA -0.161 3.959 4.120 -0.000 0.000 0.253 1098 V C 0.432 176.532 176.094 0.009 0.000 1.065 1098 V CA 2.781 65.079 62.300 -0.002 0.000 1.039 1098 V CB -1.384 30.439 31.823 -0.000 0.000 0.647 1098 V HN 0.431 nan 8.190 nan 0.000 0.446 1099 P HA -0.169 nan 4.420 nan 0.000 0.219 1099 P C 1.539 178.854 177.300 0.025 0.000 1.150 1099 P CA 1.440 64.552 63.100 0.021 0.000 0.814 1099 P CB -0.020 31.689 31.700 0.016 0.000 0.787 1100 R N 0.808 121.316 120.500 0.014 0.000 2.062 1100 R HA -0.091 4.249 4.340 -0.000 0.000 0.231 1100 R C 2.319 178.626 176.300 0.012 0.000 1.136 1100 R CA 1.196 57.304 56.100 0.012 0.000 0.948 1100 R CB -1.946 28.351 30.300 -0.005 0.000 0.845 1100 R HN 0.088 nan 8.270 nan 0.000 0.430 1101 L N 1.261 122.483 121.223 -0.001 0.000 2.043 1101 L HA -0.139 4.201 4.340 -0.000 0.000 0.212 1101 L C 2.189 179.073 176.870 0.024 0.000 1.075 1101 L CA 2.176 57.014 54.840 -0.004 0.000 0.752 1101 L CB -0.742 41.308 42.059 -0.015 0.000 0.891 1101 L HN 0.338 nan 8.230 nan 0.000 0.432 1102 K N -0.430 119.993 120.400 0.038 0.000 2.002 1102 K HA -0.274 4.046 4.320 -0.000 0.000 0.209 1102 K C 2.164 178.812 176.600 0.081 0.000 1.048 1102 K CA 1.898 58.224 56.287 0.064 0.000 0.930 1102 K CB -0.263 32.280 32.500 0.071 0.000 0.714 1102 K HN 0.527 nan 8.250 nan 0.000 0.438 1103 E N 0.514 120.759 120.200 0.075 0.000 2.086 1103 E HA -0.231 4.119 4.350 -0.000 0.000 0.200 1103 E C 1.994 178.680 176.600 0.143 0.000 1.012 1103 E CA 1.964 58.421 56.400 0.096 0.000 0.812 1103 E CB -0.092 29.656 29.700 0.080 0.000 0.743 1103 E HN 0.365 nan 8.360 nan 0.000 0.453 1104 I N 0.400 121.045 120.570 0.125 0.000 2.163 1104 I HA -0.289 3.881 4.170 -0.000 0.000 0.240 1104 I C 2.401 178.645 176.117 0.211 0.000 1.081 1104 I CA 0.958 62.364 61.300 0.176 0.000 1.353 1104 I CB -0.346 37.650 38.000 -0.007 0.000 1.054 1104 I HN 0.183 nan 8.210 nan 0.000 0.407 1105 L N 0.798 122.097 121.223 0.126 0.000 2.261 1105 L HA -0.193 4.147 4.340 -0.000 0.000 0.216 1105 L C 2.010 178.972 176.870 0.153 0.000 1.114 1105 L CA 1.016 55.931 54.840 0.124 0.000 0.777 1105 L CB -0.687 41.415 42.059 0.071 0.000 0.910 1105 L HN 0.361 nan 8.230 nan 0.000 0.440 1106 N N -0.490 118.300 118.700 0.151 0.000 2.446 1106 N HA -0.013 4.727 4.740 -0.000 0.000 0.179 1106 N C 0.635 176.223 175.510 0.129 0.000 1.054 1106 N CA 0.440 53.577 53.050 0.146 0.000 0.905 1106 N CB 0.544 39.110 38.487 0.132 0.000 0.973 1106 N HN 0.011 nan 8.380 nan 0.000 0.448 1107 V N 0.554 120.562 119.914 0.157 0.000 5.961 1107 V HA -0.256 3.864 4.120 -0.000 0.000 0.311 1107 V C 0.369 176.476 176.094 0.022 0.000 0.552 1107 V CA 0.333 62.685 62.300 0.086 0.000 0.641 1107 V CB -2.644 29.201 31.823 0.038 0.000 0.286 1107 V HN 0.416 nan 8.190 nan 0.000 0.939 1108 A N 0.810 123.669 122.820 0.065 0.000 2.409 1108 A HA 0.591 4.911 4.320 -0.000 0.000 0.267 1108 A C 1.068 178.653 177.584 0.002 0.000 1.127 1108 A CA 0.464 52.524 52.037 0.037 0.000 0.795 1108 A CB 0.855 19.894 19.000 0.065 0.000 1.061 1108 A HN 0.578 nan 8.150 nan 0.000 0.502 1109 K N 2.270 122.657 120.400 -0.021 0.000 2.057 1109 K HA -0.097 4.223 4.320 -0.000 0.000 0.206 1109 K C 0.551 177.142 176.600 -0.015 0.000 1.050 1109 K CA 1.894 58.159 56.287 -0.036 0.000 0.935 1109 K CB -0.005 32.471 32.500 -0.041 0.000 0.715 1109 K HN 0.834 nan 8.250 nan 0.000 0.439 1110 N N 2.488 121.187 118.700 -0.001 0.000 3.105 1110 N HA 0.066 4.806 4.740 -0.000 0.000 0.256 1110 N C -0.506 175.016 175.510 0.019 0.000 1.174 1110 N CA -0.155 52.898 53.050 0.005 0.000 1.030 1110 N CB -0.007 38.480 38.487 0.001 0.000 1.305 1110 N HN 0.189 nan 8.380 nan 0.000 0.509 1111 M N -0.569 119.050 119.600 0.031 0.000 2.238 1111 M HA 0.215 4.695 4.480 -0.000 0.000 0.347 1111 M C 0.969 177.286 176.300 0.029 0.000 1.173 1111 M CA -0.299 55.028 55.300 0.045 0.000 1.147 1111 M CB 1.164 33.808 32.600 0.074 0.000 1.547 1111 M HN 0.040 nan 8.290 nan 0.000 0.455 1112 K N 1.104 121.520 120.400 0.027 0.000 2.015 1112 K HA -0.087 4.233 4.320 -0.000 0.000 0.216 1112 K C 0.338 176.946 176.600 0.013 0.000 1.052 1112 K CA 1.700 57.997 56.287 0.017 0.000 0.937 1112 K CB -0.315 32.194 32.500 0.016 0.000 0.719 1112 K HN 0.741 nan 8.250 nan 0.000 0.446 1113 T N 2.355 116.918 114.554 0.016 0.000 2.743 1113 T HA 0.132 4.482 4.350 -0.000 0.000 0.292 1113 T C -1.905 172.802 174.700 0.012 0.000 0.972 1113 T CA -1.397 60.709 62.100 0.010 0.000 0.967 1113 T CB 1.785 70.659 68.868 0.010 0.000 0.926 1113 T HN 0.127 nan 8.240 nan 0.000 0.459 1114 P HA 0.076 nan 4.420 nan 0.000 0.221 1114 P C 0.802 178.095 177.300 -0.012 0.000 1.152 1114 P CA 0.231 63.332 63.100 0.002 0.000 0.851 1114 P CB 0.279 31.977 31.700 -0.003 0.000 0.833 1115 S N -0.061 115.632 115.700 -0.012 0.000 2.687 1115 S HA -0.123 4.347 4.470 -0.000 0.000 0.635 1115 S C -0.330 174.250 174.600 -0.034 0.000 3.241 1115 S CA 1.139 59.329 58.200 -0.017 0.000 3.447 1115 S CB -0.948 62.246 63.200 -0.010 0.000 0.333 1115 S HN 0.537 nan 8.310 nan 0.000 1.796 1116 L N -0.364 120.839 121.223 -0.032 0.000 4.884 1116 L HA 0.437 4.777 4.340 -0.000 0.000 0.253 1116 L C -0.641 176.227 176.870 -0.004 0.000 1.102 1116 L CA 0.202 55.019 54.840 -0.038 0.000 1.169 1116 L CB 0.266 42.311 42.059 -0.024 0.000 1.896 1116 L HN 0.553 nan 8.230 nan 0.000 0.559 1117 T N 4.362 118.932 114.554 0.026 0.000 2.728 1117 T HA 0.673 5.023 4.350 -0.000 0.000 0.296 1117 T C 0.070 174.790 174.700 0.033 0.000 0.940 1117 T CA 0.095 62.206 62.100 0.018 0.000 1.013 1117 T CB 1.072 69.990 68.868 0.084 0.000 0.912 1117 T HN 1.075 nan 8.240 nan 0.000 0.484 1118 V N 2.131 122.016 119.914 -0.047 0.000 2.384 1118 V HA 0.642 4.762 4.120 -0.000 0.000 0.287 1118 V C -1.103 174.961 176.094 -0.049 0.000 1.020 1118 V CA -1.178 61.145 62.300 0.039 0.000 0.850 1118 V CB 0.231 32.086 31.823 0.053 0.000 0.987 1118 V HN 0.669 nan 8.190 nan 0.000 0.436 1119 Y N 3.979 124.346 120.300 0.111 0.000 2.335 1119 Y HA 0.635 5.185 4.550 -0.000 0.000 0.323 1119 Y C 0.753 176.711 175.900 0.098 0.000 1.224 1119 Y CA -0.732 57.435 58.100 0.111 0.000 1.241 1119 Y CB 0.865 39.395 38.460 0.117 0.000 1.235 1119 Y HN 0.524 nan 8.280 nan 0.000 0.492 1120 L N 0.577 121.946 121.223 0.243 0.000 2.360 1120 L HA 0.013 4.353 4.340 -0.000 0.000 0.161 1120 L C 0.492 177.477 176.870 0.191 0.000 0.874 1120 L CA 0.237 55.192 54.840 0.192 0.000 1.257 1120 L CB -0.378 41.801 42.059 0.201 0.000 1.645 1120 L HN 0.643 nan 8.230 nan 0.000 0.442 1121 E N -1.297 119.026 120.200 0.205 0.000 2.227 1121 E HA 0.249 4.599 4.350 -0.000 0.000 0.268 1121 E C -1.848 174.802 176.600 0.084 0.000 0.907 1121 E CA -1.750 54.754 56.400 0.173 0.000 0.786 1121 E CB 1.704 31.567 29.700 0.272 0.000 1.191 1121 E HN 0.169 nan 8.360 nan 0.000 0.411 1122 P HA -0.325 nan 4.420 nan 0.000 0.223 1122 P C 0.875 178.125 177.300 -0.083 0.000 1.073 1122 P CA 2.380 65.463 63.100 -0.028 0.000 1.008 1122 P CB 0.067 31.743 31.700 -0.039 0.000 0.760 1123 G N -1.087 107.579 108.800 -0.223 0.000 2.547 1123 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.214 1123 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.214 1123 G C 0.189 174.955 174.900 -0.224 0.000 1.254 1123 G CA 0.276 45.201 45.100 -0.293 0.000 0.817 1123 G HN 0.382 nan 8.290 nan 0.000 0.551 1124 H N 1.701 120.800 119.070 0.048 0.000 3.392 1124 H HA 0.215 4.771 4.556 -0.000 0.000 0.212 1124 H C 1.039 176.421 175.328 0.091 0.000 0.853 1124 H CA 0.428 56.512 56.048 0.059 0.000 1.357 1124 H CB -0.350 29.440 29.762 0.048 0.000 1.549 1124 H HN 0.335 nan 8.280 nan 0.000 0.521 1125 A N 3.266 126.185 122.820 0.165 0.000 2.182 1125 A HA 0.398 4.718 4.320 -0.000 0.000 0.222 1125 A C 2.056 179.795 177.584 0.257 0.000 1.904 1125 A CA 0.419 52.562 52.037 0.176 0.000 0.808 1125 A CB -0.572 18.494 19.000 0.110 0.000 1.404 1125 A HN 0.562 nan 8.150 nan 0.000 0.587 1126 A N 0.073 123.031 122.820 0.230 0.000 2.255 1126 A HA 0.104 4.424 4.320 -0.000 0.000 0.206 1126 A C 0.221 178.008 177.584 0.338 0.000 1.193 1126 A CA 0.270 52.505 52.037 0.329 0.000 0.794 1126 A CB -0.638 18.483 19.000 0.202 0.000 0.794 1126 A HN 0.411 nan 8.150 nan 0.000 0.481 1127 D N 0.792 121.323 120.400 0.220 0.000 2.422 1127 D HA 0.020 4.660 4.640 -0.000 0.000 0.263 1127 D C 1.448 177.670 176.300 -0.129 0.000 1.334 1127 D CA 0.292 54.335 54.000 0.073 0.000 1.105 1127 D CB 0.529 41.378 40.800 0.082 0.000 1.107 1127 D HN 0.540 nan 8.370 nan 0.000 0.522 1128 Q N 2.792 122.456 119.800 -0.226 0.000 2.012 1128 Q HA -0.278 4.062 4.340 -0.000 0.000 0.211 1128 Q C 1.664 177.360 176.000 -0.506 0.000 1.009 1128 Q CA 2.134 57.581 55.803 -0.593 0.000 0.866 1128 Q CB -0.100 28.449 28.738 -0.315 0.000 0.945 1128 Q HN 0.577 nan 8.270 nan 0.000 0.414 1129 E N -1.081 118.952 120.200 -0.278 0.000 2.072 1129 E HA -0.246 4.104 4.350 -0.000 0.000 0.191 1129 E C 1.983 178.469 176.600 -0.190 0.000 0.985 1129 E CA 1.015 57.283 56.400 -0.220 0.000 0.801 1129 E CB -0.196 29.417 29.700 -0.145 0.000 0.750 1129 E HN 0.463 nan 8.360 nan 0.000 0.452 1130 Q N 0.712 120.422 119.800 -0.150 0.000 2.325 1130 Q HA -0.207 4.133 4.340 -0.000 0.000 0.211 1130 Q C 1.528 177.455 176.000 -0.122 0.000 0.988 1130 Q CA 1.797 57.523 55.803 -0.128 0.000 0.887 1130 Q CB -0.367 28.314 28.738 -0.094 0.000 0.915 1130 Q HN 0.347 nan 8.270 nan 0.000 0.440 1131 A N 0.407 123.128 122.820 -0.165 0.000 1.854 1131 A HA -0.155 4.165 4.320 -0.000 0.000 0.214 1131 A C 1.923 179.424 177.584 -0.139 0.000 1.192 1131 A CA 1.495 53.448 52.037 -0.140 0.000 0.611 1131 A CB -0.399 18.463 19.000 -0.231 0.000 0.832 1131 A HN 0.451 nan 8.150 nan 0.000 0.442 1132 K N 0.093 120.379 120.400 -0.190 0.000 2.020 1132 K HA -0.144 4.176 4.320 -0.000 0.000 0.212 1132 K C 1.746 178.275 176.600 -0.119 0.000 1.050 1132 K CA 1.680 57.868 56.287 -0.164 0.000 0.929 1132 K CB -0.668 31.721 32.500 -0.185 0.000 0.714 1132 K HN 0.433 nan 8.250 nan 0.000 0.443 1133 L N 0.939 122.093 121.223 -0.114 0.000 2.197 1133 L HA -0.228 4.112 4.340 -0.000 0.000 0.215 1133 L C 2.261 179.088 176.870 -0.071 0.000 1.095 1133 L CA 1.151 55.937 54.840 -0.091 0.000 0.764 1133 L CB -0.587 41.414 42.059 -0.097 0.000 0.897 1133 L HN 0.243 nan 8.230 nan 0.000 0.436 1134 I N -1.458 119.072 120.570 -0.066 0.000 2.429 1134 I HA -0.140 4.030 4.170 -0.000 0.000 0.247 1134 I C 2.755 178.854 176.117 -0.030 0.000 1.099 1134 I CA 0.389 61.665 61.300 -0.040 0.000 1.422 1134 I CB -0.439 37.546 38.000 -0.026 0.000 1.112 1134 I HN 0.187 nan 8.210 nan 0.000 0.430 1135 R N 1.990 122.466 120.500 -0.039 0.000 2.112 1135 R HA -0.231 4.109 4.340 -0.000 0.000 0.242 1135 R C 2.280 178.570 176.300 -0.016 0.000 1.137 1135 R CA 2.583 58.669 56.100 -0.023 0.000 0.944 1135 R CB -0.506 29.768 30.300 -0.043 0.000 0.857 1135 R HN 0.468 nan 8.270 nan 0.000 0.435 1136 S N -0.592 115.084 115.700 -0.040 0.000 2.537 1136 S HA 0.015 4.485 4.470 -0.000 0.000 0.240 1136 S C 1.581 176.166 174.600 -0.024 0.000 0.981 1136 S CA 0.785 58.964 58.200 -0.036 0.000 0.948 1136 S CB 0.192 63.357 63.200 -0.058 0.000 0.759 1136 S HN 0.493 nan 8.310 nan 0.000 0.531 1137 A N 0.376 123.184 122.820 -0.018 0.000 2.348 1137 A HA 0.585 4.904 4.320 -0.000 0.000 0.224 1137 A C 1.518 179.105 177.584 0.006 0.000 1.227 1137 A CA -0.085 51.946 52.037 -0.011 0.000 0.885 1137 A CB -0.209 18.782 19.000 -0.016 0.000 0.933 1137 A HN 0.604 nan 8.150 nan 0.000 0.506 1138 I N -1.892 118.687 120.570 0.014 0.000 3.739 1138 I HA 0.164 4.334 4.170 -0.000 0.000 0.272 1138 I C 0.884 177.031 176.117 0.050 0.000 1.167 1138 I CA -0.204 61.114 61.300 0.029 0.000 1.386 1138 I CB -0.430 37.584 38.000 0.024 0.000 1.490 1138 I HN 0.214 nan 8.210 nan 0.000 0.452 1139 E N 3.269 123.498 120.200 0.050 0.000 2.694 1139 E HA -0.198 4.152 4.350 -0.000 0.000 0.250 1139 E C -0.155 176.500 176.600 0.092 0.000 0.963 1139 E CA 0.134 56.578 56.400 0.072 0.000 0.949 1139 E CB 0.174 29.919 29.700 0.075 0.000 0.911 1139 E HN 0.258 nan 8.360 nan 0.000 0.500 1140 H N 3.599 122.670 119.070 0.000 0.000 3.017 1140 H HA 0.137 4.693 4.556 -0.000 0.000 0.276 1140 H C -1.085 174.240 175.328 -0.006 0.000 1.062 1140 H CA 0.339 56.383 56.048 -0.006 0.000 1.486 1140 H CB 0.427 30.183 29.762 -0.009 0.000 1.507 1140 H HN 0.304 nan 8.280 nan 0.000 0.508 1141 T N 5.246 119.630 114.554 -0.284 0.000 2.809 1141 T HA 0.318 4.668 4.350 -0.000 0.000 0.284 1141 T C -0.332 174.165 174.700 -0.339 0.000 0.992 1141 T CA -0.783 61.173 62.100 -0.239 0.000 0.957 1141 T CB 0.773 69.571 68.868 -0.116 0.000 0.942 1141 T HN 0.722 nan 8.240 nan 0.000 0.439 1142 T N 1.027 115.407 114.554 -0.290 0.000 2.918 1142 T HA 0.452 4.802 4.350 -0.000 0.000 0.286 1142 T C 1.297 175.928 174.700 -0.116 0.000 1.026 1142 T CA -0.964 61.006 62.100 -0.216 0.000 1.031 1142 T CB 1.200 69.966 68.868 -0.170 0.000 1.046 1142 T HN 0.218 nan 8.240 nan 0.000 0.479 1143 L N 1.266 122.436 121.223 -0.088 0.000 2.103 1143 L HA -0.103 4.237 4.340 -0.000 0.000 0.215 1143 L C 2.451 179.295 176.870 -0.042 0.000 1.080 1143 L CA 1.999 56.804 54.840 -0.058 0.000 0.764 1143 L CB -0.912 41.126 42.059 -0.035 0.000 0.890 1143 L HN 0.938 nan 8.230 nan 0.000 0.435 1144 K N -0.943 119.436 120.400 -0.035 0.000 2.280 1144 K HA -0.138 4.182 4.320 -0.000 0.000 0.202 1144 K C 1.957 178.543 176.600 -0.023 0.000 1.047 1144 K CA 1.295 57.569 56.287 -0.020 0.000 0.942 1144 K CB -0.099 32.395 32.500 -0.011 0.000 0.739 1144 K HN 0.647 nan 8.250 nan 0.000 0.457 1145 S N -0.449 115.230 115.700 -0.036 0.000 2.489 1145 S HA -0.050 4.420 4.470 -0.000 0.000 0.228 1145 S C 1.630 176.214 174.600 -0.026 0.000 0.995 1145 S CA 0.706 58.889 58.200 -0.029 0.000 0.934 1145 S CB 0.189 63.366 63.200 -0.039 0.000 0.771 1145 S HN 0.214 nan 8.310 nan 0.000 0.522 1146 V N -1.957 117.938 119.914 -0.032 0.000 3.645 1146 V HA 0.285 4.405 4.120 -0.000 0.000 0.275 1146 V C 0.442 176.522 176.094 -0.023 0.000 1.356 1146 V CA -0.128 62.154 62.300 -0.030 0.000 1.051 1146 V CB -0.789 31.009 31.823 -0.043 0.000 0.828 1146 V HN 0.274 nan 8.190 nan 0.000 0.441 1147 T N 2.232 116.775 114.554 -0.019 0.000 2.779 1147 T HA 0.500 4.850 4.350 -0.000 0.000 0.296 1147 T C 1.231 175.929 174.700 -0.003 0.000 0.938 1147 T CA 0.136 62.230 62.100 -0.010 0.000 1.119 1147 T CB 1.506 70.371 68.868 -0.006 0.000 0.891 1147 T HN 0.213 nan 8.240 nan 0.000 0.526 1148 I N 1.513 122.083 120.570 0.000 0.000 2.400 1148 I HA 0.227 4.397 4.170 -0.000 0.000 0.248 1148 I C 1.317 177.440 176.117 0.011 0.000 1.109 1148 I CA 0.423 61.726 61.300 0.005 0.000 1.425 1148 I CB -0.007 37.997 38.000 0.007 0.000 1.094 1148 I HN 0.633 nan 8.210 nan 0.000 0.425 1149 A N 0.017 122.847 122.820 0.015 0.000 2.610 1149 A HA 0.651 4.971 4.320 -0.000 0.000 0.291 1149 A C -0.950 176.651 177.584 0.029 0.000 1.086 1149 A CA -0.339 51.713 52.037 0.024 0.000 0.677 1149 A CB 1.354 20.374 19.000 0.034 0.000 1.278 1149 A HN 0.102 nan 8.150 nan 0.000 0.414 1150 S N 0.211 115.933 115.700 0.037 0.000 2.571 1150 S HA 0.813 5.283 4.470 -0.000 0.000 0.284 1150 S C -1.033 173.610 174.600 0.072 0.000 1.128 1150 S CA -0.530 57.696 58.200 0.044 0.000 0.970 1150 S CB 1.524 64.742 63.200 0.030 0.000 1.039 1150 S HN 0.709 nan 8.310 nan 0.000 0.485 1151 E N 1.754 122.022 120.200 0.113 0.000 2.367 1151 E HA 0.617 4.967 4.350 -0.000 0.000 0.273 1151 E C -1.006 175.739 176.600 0.241 0.000 0.903 1151 E CA -0.985 55.535 56.400 0.201 0.000 0.764 1151 E CB 2.272 32.212 29.700 0.400 0.000 1.252 1151 E HN 0.759 nan 8.360 nan 0.000 0.446 1152 I N 0.592 121.310 120.570 0.247 0.000 2.410 1152 I HA 0.456 4.626 4.170 -0.000 0.000 0.286 1152 I C -1.076 175.275 176.117 0.391 0.000 1.009 1152 I CA -0.942 60.510 61.300 0.254 0.000 1.111 1152 I CB 0.332 38.370 38.000 0.063 0.000 1.262 1152 I HN 0.368 nan 8.210 nan 0.000 0.443 1153 Y N 4.154 124.571 120.300 0.195 0.000 2.596 1153 Y HA 0.435 4.985 4.550 -0.000 0.000 0.326 1153 Y C -0.631 175.544 175.900 0.458 0.000 1.167 1153 Y CA -1.283 56.975 58.100 0.263 0.000 1.246 1153 Y CB 1.097 39.650 38.460 0.154 0.000 1.347 1153 Y HN 0.471 nan 8.280 nan 0.000 0.515 1154 Y N 1.781 122.330 120.300 0.415 0.000 2.478 1154 Y HA 0.370 4.920 4.550 -0.000 0.000 0.329 1154 Y C -1.125 174.797 175.900 0.036 0.000 0.967 1154 Y CA -0.876 57.313 58.100 0.148 0.000 1.255 1154 Y CB 0.444 38.898 38.460 -0.009 0.000 1.103 1154 Y HN 0.492 nan 8.280 nan 0.000 0.497 1155 D N 8.636 128.713 120.400 -0.538 0.000 2.421 1155 D HA 0.254 4.894 4.640 -0.000 0.000 0.254 1155 D C -2.291 173.659 176.300 -0.583 0.000 1.238 1155 D CA -1.663 52.081 54.000 -0.428 0.000 0.919 1155 D CB 2.487 43.203 40.800 -0.141 0.000 1.152 1155 D HN 0.308 nan 8.370 nan 0.000 0.552 1156 P HA 0.054 nan 4.420 nan 0.000 0.240 1156 P C 0.067 177.228 177.300 -0.232 0.000 1.190 1156 P CA 0.119 62.934 63.100 -0.474 0.000 0.781 1156 P CB 0.703 32.164 31.700 -0.399 0.000 0.931 1157 D N 2.323 122.617 120.400 -0.178 0.000 2.456 1157 D HA 0.128 4.768 4.640 -0.000 0.000 0.219 1157 D C -1.582 174.672 176.300 -0.076 0.000 1.126 1157 D CA -2.463 51.479 54.000 -0.096 0.000 0.890 1157 D CB 0.571 41.337 40.800 -0.058 0.000 1.025 1157 D HN 0.072 nan 8.370 nan 0.000 0.511 1158 P HA 0.019 nan 4.420 nan 0.000 0.285 1158 P C -0.236 177.041 177.300 -0.039 0.000 1.521 1158 P CA 0.206 63.258 63.100 -0.080 0.000 0.792 1158 P CB 0.081 31.702 31.700 -0.131 0.000 1.613 1159 R N -0.650 119.865 120.500 0.026 0.000 2.534 1159 R HA 0.227 4.567 4.340 -0.000 0.000 0.438 1159 R C -0.149 176.241 176.300 0.149 0.000 0.913 1159 R CA -0.000 56.188 56.100 0.148 0.000 1.130 1159 R CB 0.681 31.092 30.300 0.186 0.000 1.611 1159 R HN 0.266 nan 8.270 nan 0.000 0.571 1160 S N -1.116 114.628 115.700 0.073 0.000 2.683 1160 S HA 0.301 4.771 4.470 -0.000 0.000 0.278 1160 S C -1.017 173.591 174.600 0.013 0.000 1.059 1160 S CA -0.738 57.488 58.200 0.043 0.000 0.847 1160 S CB 2.106 65.320 63.200 0.024 0.000 1.078 1160 S HN -0.093 nan 8.310 nan 0.000 0.456 1161 T N 1.645 116.204 114.554 0.009 0.000 2.887 1161 T HA 0.502 4.852 4.350 -0.000 0.000 0.288 1161 T C 0.947 175.657 174.700 0.015 0.000 1.021 1161 T CA -0.582 61.518 62.100 -0.000 0.000 1.000 1161 T CB 1.674 70.534 68.868 -0.014 0.000 1.034 1161 T HN 0.754 nan 8.240 nan 0.000 0.467 1162 V N 2.248 122.183 119.914 0.036 0.000 3.444 1162 V HA 0.094 4.214 4.120 -0.000 0.000 0.271 1162 V C 0.630 176.773 176.094 0.082 0.000 1.188 1162 V CA 1.014 63.354 62.300 0.066 0.000 1.168 1162 V CB -1.039 30.847 31.823 0.106 0.000 0.810 1162 V HN 0.645 nan 8.190 nan 0.000 0.500 1163 I N 1.969 122.572 120.570 0.054 0.000 2.359 1163 I HA 0.256 4.426 4.170 -0.000 0.000 0.294 1163 I C -0.892 175.237 176.117 0.020 0.000 0.987 1163 I CA -1.979 59.348 61.300 0.044 0.000 1.225 1163 I CB 1.977 39.967 38.000 -0.018 0.000 1.366 1163 I HN -0.025 nan 8.210 nan 0.000 0.466 1164 P HA -0.144 nan 4.420 nan 0.000 0.212 1164 P C 0.979 178.282 177.300 0.006 0.000 1.180 1164 P CA 1.495 64.604 63.100 0.015 0.000 0.902 1164 P CB 0.235 31.947 31.700 0.020 0.000 0.778 1165 E N 0.262 120.466 120.200 0.006 0.000 2.136 1165 E HA -0.229 4.121 4.350 -0.000 0.000 0.202 1165 E C 1.421 178.017 176.600 -0.007 0.000 1.019 1165 E CA 1.852 58.252 56.400 0.000 0.000 0.819 1165 E CB -0.759 28.941 29.700 -0.000 0.000 0.739 1165 E HN 0.347 nan 8.360 nan 0.000 0.458 1166 D N -0.007 120.383 120.400 -0.017 0.000 2.363 1166 D HA -0.030 4.610 4.640 -0.000 0.000 0.226 1166 D C 1.329 177.625 176.300 -0.007 0.000 1.020 1166 D CA 0.275 54.262 54.000 -0.022 0.000 0.892 1166 D CB 0.090 40.860 40.800 -0.051 0.000 0.900 1166 D HN 0.237 nan 8.370 nan 0.000 0.531 1167 E N 0.686 120.884 120.200 -0.002 0.000 2.017 1167 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 1167 E C 1.750 178.354 176.600 0.006 0.000 0.997 1167 E CA 0.758 57.159 56.400 0.003 0.000 0.804 1167 E CB -0.094 29.603 29.700 -0.005 0.000 0.757 1167 E HN 0.363 nan 8.360 nan 0.000 0.448 1168 E N 0.710 120.910 120.200 0.000 0.000 2.339 1168 E HA -0.213 4.137 4.350 -0.000 0.000 0.201 1168 E C 1.817 178.429 176.600 0.020 0.000 1.015 1168 E CA 0.759 57.160 56.400 0.002 0.000 0.841 1168 E CB -0.110 29.590 29.700 0.000 0.000 0.754 1168 E HN 0.286 nan 8.360 nan 0.000 0.508 1169 I N 0.227 120.811 120.570 0.023 0.000 3.251 1169 I HA -0.133 4.037 4.170 -0.000 0.000 0.277 1169 I C 1.750 177.902 176.117 0.059 0.000 1.268 1169 I CA 0.347 61.661 61.300 0.024 0.000 1.449 1169 I CB -0.006 37.993 38.000 -0.001 0.000 1.083 1169 I HN 0.167 nan 8.210 nan 0.000 0.464 1170 I N -0.104 120.531 120.570 0.108 0.000 2.731 1170 I HA -0.117 4.053 4.170 -0.000 0.000 0.260 1170 I C 2.308 178.683 176.117 0.429 0.000 1.138 1170 I CA 0.599 62.044 61.300 0.240 0.000 1.461 1170 I CB -0.444 37.719 38.000 0.272 0.000 1.128 1170 I HN 0.144 nan 8.210 nan 0.000 0.438 1171 Q N 1.324 121.246 119.800 0.204 0.000 2.124 1171 Q HA -0.106 4.234 4.340 -0.000 0.000 0.202 1171 Q C 2.197 178.292 176.000 0.159 0.000 0.977 1171 Q CA 1.318 57.155 55.803 0.056 0.000 0.850 1171 Q CB -0.139 28.539 28.738 -0.100 0.000 0.901 1171 Q HN 0.545 nan 8.270 nan 0.000 0.429 1172 L N -0.552 120.753 121.223 0.138 0.000 2.552 1172 L HA -0.055 4.285 4.340 -0.000 0.000 0.227 1172 L C 1.589 178.544 176.870 0.141 0.000 1.146 1172 L CA 0.473 55.375 54.840 0.102 0.000 0.858 1172 L CB -0.163 41.931 42.059 0.058 0.000 0.969 1172 L HN 0.241 nan 8.230 nan 0.000 0.451 1173 H N -1.225 117.916 119.070 0.117 0.000 2.551 1173 H HA 0.088 4.644 4.556 -0.000 0.000 0.271 1173 H C 1.508 176.879 175.328 0.070 0.000 0.984 1173 H CA 0.294 56.369 56.048 0.045 0.000 1.164 1173 H CB 0.269 30.031 29.762 0.001 0.000 1.437 1173 H HN 0.100 nan 8.280 nan 0.000 0.550 1174 F N -0.224 119.713 119.950 -0.022 0.000 2.664 1174 F HA -0.029 4.498 4.527 -0.000 0.000 0.296 1174 F C 2.443 178.198 175.800 -0.075 0.000 1.125 1174 F CA 0.752 58.726 58.000 -0.044 0.000 1.444 1174 F CB -0.041 38.950 39.000 -0.015 0.000 1.114 1174 F HN 0.162 nan 8.300 nan 0.000 0.576 1175 S N 0.226 115.969 115.700 0.072 0.000 2.402 1175 S HA -0.247 4.223 4.470 -0.000 0.000 0.233 1175 S C 1.695 176.266 174.600 -0.049 0.000 1.030 1175 S CA 1.133 59.337 58.200 0.007 0.000 1.003 1175 S CB -0.801 62.389 63.200 -0.017 0.000 0.813 1175 S HN 0.393 nan 8.310 nan 0.000 0.477 1176 L N 0.038 121.181 121.223 -0.134 0.000 4.368 1176 L HA -0.347 3.993 4.340 -0.000 0.000 0.053 1176 L C 1.392 178.171 176.870 -0.151 0.000 3.514 1176 L CA 1.607 56.320 54.840 -0.211 0.000 1.392 1176 L CB -2.032 39.909 42.059 -0.197 0.000 3.062 1176 L HN 0.362 nan 8.230 nan 0.000 0.818 1188 Q N 0.683 120.431 119.800 -0.086 0.000 3.018 1188 Q HA 0.715 5.054 4.340 -0.000 0.000 0.209 1188 Q C -0.901 175.081 176.000 -0.031 0.000 1.036 1188 Q CA -0.641 55.123 55.803 -0.065 0.000 0.886 1188 Q CB 1.765 30.435 28.738 -0.113 0.000 2.058 1188 Q HN 0.062 nan 8.270 nan 0.000 0.452 1189 S N 0.086 115.782 115.700 -0.006 0.000 2.566 1189 S HA 0.450 4.920 4.470 -0.000 0.000 0.298 1189 S C -2.283 172.293 174.600 -0.041 0.000 1.083 1189 S CA -1.896 56.314 58.200 0.017 0.000 0.978 1189 S CB 1.150 64.418 63.200 0.114 0.000 1.073 1189 S HN 0.396 nan 8.310 nan 0.000 0.491 1190 P HA 0.168 nan 4.420 nan 0.000 0.257 1190 P C -0.787 176.265 177.300 -0.414 0.000 1.325 1190 P CA -0.014 62.861 63.100 -0.375 0.000 0.850 1190 P CB -0.233 31.158 31.700 -0.516 0.000 1.324 1191 W N 0.915 122.206 121.300 -0.015 0.000 2.283 1191 W HA 0.405 5.065 4.660 -0.000 0.000 0.317 1191 W C 0.015 176.552 176.519 0.030 0.000 1.042 1191 W CA -1.072 56.303 57.345 0.050 0.000 1.348 1191 W CB 1.005 30.519 29.460 0.090 0.000 1.216 1191 W HN -0.121 nan 8.180 nan 0.000 0.404 1192 L N 5.243 126.695 121.223 0.381 0.000 2.357 1192 L HA 0.591 4.931 4.340 -0.000 0.000 0.273 1192 L C -0.879 176.107 176.870 0.193 0.000 1.080 1192 L CA -0.671 54.296 54.840 0.213 0.000 0.803 1192 L CB 0.875 43.019 42.059 0.143 0.000 1.174 1192 L HN 0.310 nan 8.230 nan 0.000 0.443 1193 L N 5.017 126.298 121.223 0.097 0.000 2.406 1193 L HA 0.563 4.903 4.340 -0.000 0.000 0.270 1193 L C -1.034 175.849 176.870 0.022 0.000 0.982 1193 L CA -0.334 54.545 54.840 0.065 0.000 0.843 1193 L CB 1.179 43.254 42.059 0.025 0.000 1.225 1193 L HN 0.744 nan 8.230 nan 0.000 0.412 1194 R N 5.305 125.813 120.500 0.012 0.000 2.437 1194 R HA 0.795 5.135 4.340 -0.000 0.000 0.310 1194 R C -1.696 174.598 176.300 -0.009 0.000 0.955 1194 R CA -0.618 55.458 56.100 -0.040 0.000 0.851 1194 R CB 1.135 31.335 30.300 -0.167 0.000 1.161 1194 R HN 0.769 nan 8.270 nan 0.000 0.446 1195 L N 2.903 124.121 121.223 -0.008 0.000 2.329 1195 L HA 0.507 4.847 4.340 -0.000 0.000 0.279 1195 L C -0.215 176.653 176.870 -0.003 0.000 1.014 1195 L CA -0.733 54.108 54.840 0.002 0.000 0.814 1195 L CB 1.915 43.975 42.059 0.003 0.000 1.257 1195 L HN 0.610 nan 8.230 nan 0.000 0.424 1196 E N 3.556 123.757 120.200 0.003 0.000 2.133 1196 E HA 0.507 4.857 4.350 -0.000 0.000 0.274 1196 E C -1.297 175.302 176.600 -0.001 0.000 0.930 1196 E CA -0.599 55.802 56.400 0.001 0.000 0.770 1196 E CB 1.385 31.090 29.700 0.008 0.000 1.104 1196 E HN 0.497 nan 8.360 nan 0.000 0.403 1197 L N 2.726 123.945 121.223 -0.007 0.000 2.375 1197 L HA 0.343 4.683 4.340 -0.000 0.000 0.268 1197 L C 0.498 177.362 176.870 -0.011 0.000 1.058 1197 L CA -0.841 53.991 54.840 -0.014 0.000 0.803 1197 L CB 0.975 43.018 42.059 -0.026 0.000 1.212 1197 L HN 0.516 nan 8.230 nan 0.000 0.451 1198 D N 0.488 120.880 120.400 -0.013 0.000 2.302 1198 D HA 0.111 4.751 4.640 -0.000 0.000 0.248 1198 D C 0.675 176.968 176.300 -0.013 0.000 1.094 1198 D CA -0.011 53.983 54.000 -0.010 0.000 0.897 1198 D CB 1.599 42.394 40.800 -0.009 0.000 1.200 1198 D HN 0.401 nan 8.370 nan 0.000 0.429 1199 R N 2.206 122.700 120.500 -0.009 0.000 2.080 1199 R HA 0.011 4.351 4.340 -0.000 0.000 0.222 1199 R C 1.811 178.103 176.300 -0.012 0.000 1.107 1199 R CA 1.051 57.145 56.100 -0.010 0.000 0.980 1199 R CB 0.006 30.302 30.300 -0.006 0.000 0.879 1199 R HN 0.494 nan 8.270 nan 0.000 0.439 1200 A N 0.208 123.022 122.820 -0.009 0.000 2.067 1200 A HA 0.053 4.373 4.320 -0.000 0.000 0.217 1200 A C 2.039 179.618 177.584 -0.008 0.000 1.156 1200 A CA 1.227 53.259 52.037 -0.008 0.000 0.683 1200 A CB -0.215 18.782 19.000 -0.005 0.000 0.808 1200 A HN 0.419 nan 8.150 nan 0.000 0.455 1201 A N -1.255 121.559 122.820 -0.010 0.000 2.119 1201 A HA 0.120 4.440 4.320 -0.000 0.000 0.216 1201 A C 1.844 179.417 177.584 -0.018 0.000 1.152 1201 A CA 1.095 53.127 52.037 -0.010 0.000 0.708 1201 A CB -0.296 18.697 19.000 -0.012 0.000 0.805 1201 A HN 0.383 nan 8.150 nan 0.000 0.460 1202 M N -0.066 119.519 119.600 -0.024 0.000 2.541 1202 M HA 0.087 4.567 4.480 -0.000 0.000 0.252 1202 M C 0.889 177.169 176.300 -0.034 0.000 1.125 1202 M CA 0.530 55.810 55.300 -0.033 0.000 1.091 1202 M CB -0.846 31.733 32.600 -0.036 0.000 1.420 1202 M HN 0.390 nan 8.290 nan 0.000 0.486 1203 N N 0.186 118.869 118.700 -0.027 0.000 2.436 1203 N HA -0.087 4.653 4.740 -0.000 0.000 0.178 1203 N C 1.384 176.872 175.510 -0.037 0.000 1.026 1203 N CA 0.657 53.688 53.050 -0.032 0.000 0.880 1203 N CB -0.035 38.436 38.487 -0.026 0.000 1.061 1203 N HN 0.348 nan 8.380 nan 0.000 0.434 1204 D N 1.456 121.844 120.400 -0.021 0.000 2.106 1204 D HA -0.123 4.517 4.640 -0.000 0.000 0.191 1204 D C -0.143 176.137 176.300 -0.032 0.000 0.997 1204 D CA 1.158 55.151 54.000 -0.011 0.000 0.834 1204 D CB 0.245 41.068 40.800 0.038 0.000 0.956 1204 D HN 0.174 nan 8.370 nan 0.000 0.448 1205 K N 1.818 122.206 120.400 -0.019 0.000 2.419 1205 K HA 0.125 4.445 4.320 -0.000 0.000 0.244 1205 K C -0.752 175.820 176.600 -0.046 0.000 1.045 1205 K CA -0.631 55.639 56.287 -0.029 0.000 1.004 1205 K CB 1.470 33.965 32.500 -0.009 0.000 1.376 1205 K HN 0.010 nan 8.250 nan 0.000 0.460 1206 D N 2.870 123.235 120.400 -0.059 0.000 3.046 1206 D HA -0.116 4.524 4.640 -0.000 0.000 0.213 1206 D C -0.360 175.905 176.300 -0.058 0.000 1.074 1206 D CA 1.329 55.294 54.000 -0.059 0.000 0.785 1206 D CB 0.492 41.254 40.800 -0.064 0.000 1.160 1206 D HN 0.378 nan 8.370 nan 0.000 0.524 1207 L N 1.804 122.992 121.223 -0.058 0.000 2.622 1207 L HA 0.328 4.668 4.340 -0.000 0.000 0.258 1207 L C -0.454 176.375 176.870 -0.070 0.000 0.996 1207 L CA -0.698 54.101 54.840 -0.068 0.000 0.858 1207 L CB 2.615 44.630 42.059 -0.074 0.000 1.449 1207 L HN 0.191 nan 8.230 nan 0.000 0.411 1208 T N 1.241 115.741 114.554 -0.090 0.000 2.921 1208 T HA 0.298 4.648 4.350 -0.000 0.000 0.297 1208 T C 0.892 175.494 174.700 -0.163 0.000 1.013 1208 T CA -0.655 61.389 62.100 -0.094 0.000 0.990 1208 T CB 1.927 70.751 68.868 -0.072 0.000 1.023 1208 T HN 0.423 nan 8.240 nan 0.000 0.447 1209 M N 1.656 121.154 119.600 -0.169 0.000 2.143 1209 M HA -0.089 4.391 4.480 -0.000 0.000 0.258 1209 M C 2.402 178.337 176.300 -0.608 0.000 1.071 1209 M CA 1.802 56.906 55.300 -0.327 0.000 1.088 1209 M CB -1.643 30.843 32.600 -0.189 0.000 1.360 1209 M HN 0.866 nan 8.290 nan 0.000 0.404 1210 G N 0.247 108.845 108.800 -0.337 0.000 2.587 1210 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.217 1210 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.217 1210 G C 1.394 176.068 174.900 -0.376 0.000 1.240 1210 G CA 1.039 45.975 45.100 -0.274 0.000 0.794 1210 G HN 0.539 nan 8.290 nan 0.000 0.580 1211 Q N -0.141 119.521 119.800 -0.230 0.000 1.998 1211 Q HA -0.171 4.169 4.340 -0.000 0.000 0.209 1211 Q C 2.810 178.650 176.000 -0.267 0.000 1.002 1211 Q CA 2.030 57.717 55.803 -0.193 0.000 0.858 1211 Q CB -0.801 27.856 28.738 -0.135 0.000 0.932 1211 Q HN 0.328 nan 8.270 nan 0.000 0.416 1212 V N 0.960 120.698 119.914 -0.293 0.000 2.238 1212 V HA -0.371 3.749 4.120 -0.000 0.000 0.253 1212 V C 2.255 178.139 176.094 -0.351 0.000 1.050 1212 V CA 2.308 64.436 62.300 -0.288 0.000 1.045 1212 V CB -1.637 30.011 31.823 -0.291 0.000 0.670 1212 V HN 0.700 nan 8.190 nan 0.000 0.469 1213 G N -1.161 107.266 108.800 -0.622 0.000 2.440 1213 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.218 1213 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.218 1213 G C 1.424 176.075 174.900 -0.415 0.000 1.154 1213 G CA 0.932 45.651 45.100 -0.635 0.000 0.767 1213 G HN 0.537 nan 8.290 nan 0.000 0.552 1214 E N 0.308 120.221 120.200 -0.478 0.000 2.113 1214 E HA -0.239 4.111 4.350 -0.000 0.000 0.210 1214 E C 2.575 179.133 176.600 -0.069 0.000 1.040 1214 E CA 1.440 57.748 56.400 -0.152 0.000 0.847 1214 E CB -0.196 29.430 29.700 -0.123 0.000 0.755 1214 E HN 0.297 nan 8.360 nan 0.000 0.459 1215 R N 0.649 121.086 120.500 -0.104 0.000 2.066 1215 R HA -0.013 4.327 4.340 -0.000 0.000 0.232 1215 R C 2.480 178.770 176.300 -0.018 0.000 1.131 1215 R CA 1.104 57.168 56.100 -0.059 0.000 0.955 1215 R CB -0.708 29.545 30.300 -0.079 0.000 0.851 1215 R HN 0.205 nan 8.270 nan 0.000 0.432 1216 I N 0.560 121.124 120.570 -0.009 0.000 2.194 1216 I HA -0.345 3.824 4.170 -0.000 0.000 0.246 1216 I C 2.381 178.618 176.117 0.200 0.000 1.093 1216 I CA 1.732 63.097 61.300 0.109 0.000 1.355 1216 I CB -0.457 37.607 38.000 0.107 0.000 1.046 1216 I HN 0.204 nan 8.210 nan 0.000 0.413 1217 K N 1.420 121.900 120.400 0.135 0.000 2.032 1217 K HA -0.242 4.078 4.320 -0.000 0.000 0.209 1217 K C 2.160 178.847 176.600 0.144 0.000 1.048 1217 K CA 1.895 58.278 56.287 0.161 0.000 0.927 1217 K CB -0.110 32.490 32.500 0.167 0.000 0.712 1217 K HN 0.534 nan 8.250 nan 0.000 0.441 1218 Q N -0.976 118.875 119.800 0.086 0.000 2.482 1218 Q HA 0.004 4.344 4.340 -0.000 0.000 0.209 1218 Q C 1.029 177.041 176.000 0.019 0.000 0.961 1218 Q CA 1.082 56.917 55.803 0.054 0.000 0.945 1218 Q CB 0.343 29.097 28.738 0.028 0.000 1.012 1218 Q HN 0.138 nan 8.270 nan 0.000 0.515 1219 T N 0.249 114.807 114.554 0.007 0.000 2.852 1219 T HA 0.034 4.384 4.350 -0.000 0.000 0.256 1219 T C 0.911 175.469 174.700 -0.237 0.000 1.038 1219 T CA 0.971 62.974 62.100 -0.162 0.000 1.141 1219 T CB -0.127 68.565 68.868 -0.293 0.000 0.869 1219 T HN 0.308 nan 8.240 nan 0.000 0.439 1220 F N 0.897 120.860 119.950 0.021 0.000 2.446 1220 F HA 0.349 4.876 4.527 -0.000 0.000 0.292 1220 F C 1.347 177.167 175.800 0.034 0.000 1.096 1220 F CA -0.149 57.868 58.000 0.028 0.000 1.438 1220 F CB -0.125 38.895 39.000 0.034 0.000 1.107 1220 F HN 0.018 nan 8.300 nan 0.000 0.546 1221 K N -0.478 120.060 120.400 0.231 0.000 6.203 1221 K HA -0.281 4.039 4.320 -0.000 0.000 0.219 1221 K C -0.578 176.108 176.600 0.143 0.000 1.545 1221 K CA 1.027 57.402 56.287 0.147 0.000 0.759 1221 K CB -1.304 31.255 32.500 0.099 0.000 0.651 1221 K HN 0.033 nan 8.250 nan 0.000 0.535 1222 N N 2.764 121.531 118.700 0.113 0.000 2.719 1222 N HA 0.167 4.907 4.740 -0.000 0.000 0.243 1222 N C -1.141 174.428 175.510 0.098 0.000 1.104 1222 N CA 0.684 53.795 53.050 0.101 0.000 0.981 1222 N CB 0.339 38.873 38.487 0.078 0.000 1.290 1222 N HN 0.548 nan 8.380 nan 0.000 0.513 1223 D N 0.978 121.442 120.400 0.107 0.000 4.428 1223 D HA -0.051 4.589 4.640 -0.000 0.000 0.114 1223 D C -0.903 175.440 176.300 0.071 0.000 0.522 1223 D CA -0.396 53.657 54.000 0.088 0.000 0.610 1223 D CB -1.141 39.712 40.800 0.089 0.000 1.645 1223 D HN 0.231 nan 8.370 nan 0.000 0.249 1224 L N 0.916 122.187 121.223 0.080 0.000 2.929 1224 L HA 0.490 4.830 4.340 -0.000 0.000 0.246 1224 L C -2.073 174.851 176.870 0.091 0.000 0.960 1224 L CA -0.742 54.114 54.840 0.025 0.000 1.056 1224 L CB 0.851 42.828 42.059 -0.137 0.000 1.437 1224 L HN 0.034 nan 8.230 nan 0.000 0.514 1225 F N 5.326 125.262 119.950 -0.024 0.000 2.443 1225 F HA 0.730 5.257 4.527 -0.000 0.000 0.353 1225 F C -0.440 175.345 175.800 -0.026 0.000 1.101 1225 F CA 0.213 58.202 58.000 -0.018 0.000 1.226 1225 F CB 0.888 39.867 39.000 -0.035 0.000 1.140 1225 F HN 0.255 nan 8.300 nan 0.000 0.557 1226 V N 7.049 126.530 119.914 -0.722 0.000 2.971 1226 V HA 0.532 4.652 4.120 -0.000 0.000 0.309 1226 V C -0.194 175.495 176.094 -0.676 0.000 1.130 1226 V CA -0.863 61.148 62.300 -0.483 0.000 0.964 1226 V CB 1.884 33.660 31.823 -0.078 0.000 1.029 1226 V HN 0.732 nan 8.190 nan 0.000 0.427 1227 I N 1.494 121.800 120.570 -0.439 0.000 3.457 1227 I HA 0.821 4.990 4.170 -0.000 0.000 0.307 1227 I C -1.324 174.769 176.117 -0.040 0.000 1.138 1227 I CA -0.726 60.230 61.300 -0.574 0.000 0.974 1227 I CB 2.512 40.130 38.000 -0.637 0.000 1.324 1227 I HN 0.903 nan 8.210 nan 0.000 0.485 1228 W N -0.081 121.118 121.300 -0.168 0.000 3.173 1228 W HA 0.586 5.246 4.660 -0.000 0.000 0.313 1228 W C -0.801 175.686 176.519 -0.053 0.000 1.228 1228 W CA -0.730 56.557 57.345 -0.096 0.000 1.185 1228 W CB -0.332 29.080 29.460 -0.079 0.000 1.390 1228 W HN 0.609 nan 8.180 nan 0.000 0.568 1229 S N 0.341 116.191 115.700 0.250 0.000 2.393 1229 S HA 0.685 5.154 4.470 -0.000 0.000 0.255 1229 S C -0.470 174.269 174.600 0.231 0.000 1.210 1229 S CA -0.359 57.934 58.200 0.155 0.000 1.013 1229 S CB 0.604 63.858 63.200 0.092 0.000 1.055 1229 S HN 0.615 nan 8.310 nan 0.000 0.483 1230 E N -0.278 120.005 120.200 0.139 0.000 2.340 1230 E HA 0.281 4.631 4.350 -0.000 0.000 0.273 1230 E C -0.443 176.201 176.600 0.073 0.000 0.891 1230 E CA -0.674 55.802 56.400 0.128 0.000 0.757 1230 E CB 1.586 31.347 29.700 0.101 0.000 1.231 1230 E HN 0.521 nan 8.360 nan 0.000 0.439 1231 D N 1.155 121.588 120.400 0.056 0.000 2.322 1231 D HA -0.210 4.430 4.640 -0.000 0.000 0.210 1231 D C 1.020 177.333 176.300 0.021 0.000 0.983 1231 D CA 0.982 54.997 54.000 0.025 0.000 0.902 1231 D CB 0.223 41.031 40.800 0.013 0.000 0.905 1231 D HN 0.341 nan 8.370 nan 0.000 0.483 1232 N N 0.951 119.669 118.700 0.029 0.000 2.148 1232 N HA -0.087 4.653 4.740 -0.000 0.000 0.186 1232 N C 0.357 175.879 175.510 0.020 0.000 1.031 1232 N CA 0.543 53.606 53.050 0.022 0.000 0.848 1232 N CB 0.195 38.697 38.487 0.025 0.000 1.005 1232 N HN 0.110 nan 8.380 nan 0.000 0.427 1233 D N 0.684 121.100 120.400 0.026 0.000 2.341 1233 D HA -0.132 4.508 4.640 -0.000 0.000 0.233 1233 D C 1.079 177.389 176.300 0.016 0.000 1.270 1233 D CA 0.519 54.532 54.000 0.022 0.000 0.883 1233 D CB 0.410 41.228 40.800 0.029 0.000 1.207 1233 D HN 0.511 nan 8.370 nan 0.000 0.471 1234 E N -0.573 119.635 120.200 0.013 0.000 2.474 1234 E HA 0.055 4.405 4.350 -0.000 0.000 0.195 1234 E C -0.144 176.461 176.600 0.009 0.000 1.039 1234 E CA 0.210 56.615 56.400 0.009 0.000 0.881 1234 E CB 0.383 30.087 29.700 0.008 0.000 0.970 1234 E HN 0.137 nan 8.360 nan 0.000 0.486 1235 K N 1.659 122.066 120.400 0.012 0.000 2.668 1235 K HA 0.322 4.642 4.320 -0.000 0.000 0.246 1235 K C -1.032 175.577 176.600 0.015 0.000 0.976 1235 K CA -0.464 55.829 56.287 0.010 0.000 0.902 1235 K CB 2.003 34.508 32.500 0.008 0.000 1.172 1235 K HN 0.077 nan 8.250 nan 0.000 0.452 1236 L N 4.940 126.170 121.223 0.012 0.000 2.410 1236 L HA 0.431 4.771 4.340 -0.000 0.000 0.273 1236 L C 0.065 176.944 176.870 0.015 0.000 1.144 1236 L CA 0.065 54.915 54.840 0.016 0.000 0.863 1236 L CB 0.112 42.171 42.059 0.001 0.000 1.140 1236 L HN 0.448 nan 8.230 nan 0.000 0.463 1237 I N 4.185 124.774 120.570 0.032 0.000 2.841 1237 I HA 0.415 4.585 4.170 -0.000 0.000 0.298 1237 I C -0.854 175.298 176.117 0.058 0.000 1.304 1237 I CA -0.426 60.888 61.300 0.024 0.000 1.019 1237 I CB 2.912 40.913 38.000 0.003 0.000 1.282 1237 I HN 0.424 nan 8.210 nan 0.000 0.432 1238 I N 4.656 125.248 120.570 0.037 0.000 2.468 1238 I HA 0.448 4.618 4.170 -0.000 0.000 0.284 1238 I C -0.360 175.768 176.117 0.018 0.000 1.038 1238 I CA -0.467 60.871 61.300 0.064 0.000 1.083 1238 I CB 1.519 39.543 38.000 0.040 0.000 1.223 1238 I HN 0.459 nan 8.210 nan 0.000 0.443 1239 R N 4.561 125.061 120.500 -0.000 0.000 2.674 1239 R HA 0.898 5.238 4.340 -0.000 0.000 0.266 1239 R C -0.960 175.315 176.300 -0.042 0.000 1.016 1239 R CA -0.506 55.575 56.100 -0.032 0.000 1.062 1239 R CB 1.932 32.203 30.300 -0.048 0.000 1.142 1239 R HN 0.813 nan 8.270 nan 0.000 0.517 1240 C N -0.953 118.335 119.300 -0.019 0.000 3.224 1240 C HA 0.533 4.993 4.460 -0.000 0.000 0.348 1240 C C -1.183 173.830 174.990 0.039 0.000 1.242 1240 C CA -1.369 57.641 59.018 -0.014 0.000 1.180 1240 C CB 1.340 29.044 27.740 -0.060 0.000 1.458 1240 C HN 0.918 nan 8.230 nan 0.000 0.485 1241 R N 0.755 121.304 120.500 0.081 0.000 2.799 1241 R HA 0.828 5.168 4.340 -0.000 0.000 0.270 1241 R C -0.745 175.594 176.300 0.064 0.000 1.010 1241 R CA -0.698 55.455 56.100 0.088 0.000 0.916 1241 R CB 1.875 32.241 30.300 0.110 0.000 1.228 1241 R HN 0.636 nan 8.270 nan 0.000 0.469 1242 V N 0.904 120.854 119.914 0.061 0.000 3.385 1242 V HA 0.380 4.500 4.120 -0.000 0.000 0.301 1242 V C -0.026 176.102 176.094 0.056 0.000 1.082 1242 V CA -0.333 61.992 62.300 0.042 0.000 1.085 1242 V CB 1.351 33.209 31.823 0.058 0.000 1.152 1242 V HN 0.433 nan 8.190 nan 0.000 0.465 1243 V N 1.959 121.902 119.914 0.049 0.000 2.817 1243 V HA 0.596 4.716 4.120 -0.000 0.000 0.303 1243 V C -0.379 175.737 176.094 0.038 0.000 1.151 1243 V CA -0.737 61.587 62.300 0.040 0.000 0.929 1243 V CB 1.981 33.832 31.823 0.045 0.000 1.030 1243 V HN 0.901 nan 8.190 nan 0.000 0.427 1244 R N 1.965 122.482 120.500 0.028 0.000 2.831 1244 R HA 0.671 5.011 4.340 -0.000 0.000 0.266 1244 R C -2.440 173.869 176.300 0.016 0.000 1.051 1244 R CA -1.618 54.498 56.100 0.028 0.000 0.943 1244 R CB 1.280 31.600 30.300 0.034 0.000 1.228 1244 R HN 0.574 nan 8.270 nan 0.000 0.467 1255 E N -0.049 120.198 120.200 0.079 0.000 3.336 1255 E HA -0.122 4.228 4.350 -0.000 0.000 0.208 1255 E C 0.266 176.910 176.600 0.073 0.000 1.250 1255 E CA 0.688 57.130 56.400 0.069 0.000 0.850 1255 E CB -1.140 28.567 29.700 0.012 0.000 1.115 1255 E HN 0.797 nan 8.360 nan 0.000 0.421 1256 E N 0.370 120.625 120.200 0.092 0.000 2.170 1256 E HA -0.105 4.245 4.350 -0.000 0.000 0.191 1256 E C 1.091 177.613 176.600 -0.131 0.000 0.981 1256 E CA 0.452 56.881 56.400 0.048 0.000 0.830 1256 E CB 0.166 29.998 29.700 0.220 0.000 0.775 1256 E HN 0.359 nan 8.360 nan 0.000 0.470 1257 D N 0.610 120.823 120.400 -0.312 0.000 2.144 1257 D HA -0.177 4.463 4.640 -0.000 0.000 0.199 1257 D C 1.833 178.025 176.300 -0.179 0.000 0.984 1257 D CA 1.034 54.778 54.000 -0.425 0.000 0.834 1257 D CB -0.194 40.304 40.800 -0.502 0.000 0.955 1257 D HN 0.229 nan 8.370 nan 0.000 0.465 1258 H N -0.056 118.929 119.070 -0.142 0.000 2.495 1258 H HA 0.086 4.642 4.556 -0.000 0.000 0.287 1258 H C 1.780 177.074 175.328 -0.057 0.000 1.033 1258 H CA 0.653 56.653 56.048 -0.081 0.000 1.307 1258 H CB 0.238 29.971 29.762 -0.048 0.000 1.401 1258 H HN 0.150 nan 8.280 nan 0.000 0.555 1259 M N -0.339 119.311 119.600 0.082 0.000 2.615 1259 M HA -0.007 4.473 4.480 -0.000 0.000 0.262 1259 M C 0.912 177.216 176.300 0.006 0.000 1.198 1259 M CA 0.078 55.416 55.300 0.064 0.000 1.165 1259 M CB 0.428 33.069 32.600 0.068 0.000 1.310 1259 M HN 0.103 nan 8.290 nan 0.000 0.494 1260 L N 1.051 122.249 121.223 -0.041 0.000 2.801 1260 L HA 0.109 4.449 4.340 -0.000 0.000 0.250 1260 L C 0.820 177.647 176.870 -0.072 0.000 1.222 1260 L CA 1.183 55.989 54.840 -0.057 0.000 1.054 1260 L CB -1.008 41.006 42.059 -0.075 0.000 1.330 1260 L HN 0.205 nan 8.230 nan 0.000 0.426 1261 K N -1.584 118.779 120.400 -0.062 0.000 2.567 1261 K HA 0.172 4.492 4.320 -0.000 0.000 0.218 1261 K C 1.475 178.055 176.600 -0.033 0.000 1.440 1261 K CA -0.005 56.242 56.287 -0.067 0.000 0.995 1261 K CB 0.500 32.926 32.500 -0.122 0.000 1.186 1261 K HN 0.207 nan 8.250 nan 0.000 0.593 1262 K N 0.419 120.815 120.400 -0.007 0.000 2.361 1262 K HA 0.180 4.500 4.320 -0.000 0.000 0.196 1262 K C 1.300 177.941 176.600 0.067 0.000 1.039 1262 K CA 0.606 56.911 56.287 0.029 0.000 1.001 1262 K CB 0.435 32.967 32.500 0.052 0.000 0.795 1262 K HN 0.145 nan 8.250 nan 0.000 0.495 1263 I N 0.457 121.061 120.570 0.058 0.000 3.860 1263 I HA -0.070 4.100 4.170 -0.000 0.000 0.319 1263 I C 2.068 178.232 176.117 0.079 0.000 1.279 1263 I CA 0.294 61.654 61.300 0.099 0.000 1.220 1263 I CB 0.229 38.216 38.000 -0.021 0.000 1.027 1263 I HN 0.097 nan 8.210 nan 0.000 0.428 1264 E N 1.806 122.028 120.200 0.036 0.000 2.107 1264 E HA -0.178 4.172 4.350 -0.000 0.000 0.191 1264 E C 1.734 178.361 176.600 0.045 0.000 0.982 1264 E CA 1.567 57.983 56.400 0.027 0.000 0.809 1264 E CB 0.005 29.704 29.700 -0.001 0.000 0.756 1264 E HN 0.317 nan 8.360 nan 0.000 0.459 1265 N N -0.216 118.513 118.700 0.047 0.000 2.197 1265 N HA -0.049 4.691 4.740 -0.000 0.000 0.184 1265 N C 1.613 177.162 175.510 0.065 0.000 1.030 1265 N CA 1.795 54.871 53.050 0.044 0.000 0.851 1265 N CB -0.652 37.853 38.487 0.030 0.000 1.003 1265 N HN 0.207 nan 8.380 nan 0.000 0.430 1266 T N 1.615 116.226 114.554 0.095 0.000 2.896 1266 T HA -0.092 4.257 4.350 -0.000 0.000 0.270 1266 T C 1.805 176.569 174.700 0.107 0.000 1.104 1266 T CA 1.011 63.170 62.100 0.099 0.000 1.115 1266 T CB -0.042 68.925 68.868 0.165 0.000 0.843 1266 T HN 0.258 nan 8.240 nan 0.000 0.523 1267 M N -0.538 119.151 119.600 0.148 0.000 2.545 1267 M HA 0.255 4.735 4.480 -0.000 0.000 0.264 1267 M C 1.877 178.211 176.300 0.058 0.000 1.155 1267 M CA 0.746 56.127 55.300 0.135 0.000 1.162 1267 M CB -0.001 32.699 32.600 0.167 0.000 1.330 1267 M HN 0.190 nan 8.290 nan 0.000 0.479 1268 L N -0.235 121.015 121.223 0.045 0.000 2.341 1268 L HA -0.048 4.292 4.340 -0.000 0.000 0.214 1268 L C 0.863 177.741 176.870 0.014 0.000 1.115 1268 L CA 1.030 55.883 54.840 0.022 0.000 0.820 1268 L CB 0.065 42.136 42.059 0.020 0.000 0.944 1268 L HN 0.326 nan 8.230 nan 0.000 0.452 1269 E N -1.517 118.695 120.200 0.019 0.000 2.801 1269 E HA 0.132 4.482 4.350 -0.000 0.000 0.212 1269 E C -0.100 176.511 176.600 0.018 0.000 0.963 1269 E CA -0.076 56.336 56.400 0.019 0.000 1.247 1269 E CB 0.622 30.335 29.700 0.021 0.000 1.076 1269 E HN 0.179 nan 8.360 nan 0.000 0.504 1270 N N 0.978 119.681 118.700 0.004 0.000 2.377 1270 N HA 0.312 5.052 4.740 -0.000 0.000 0.259 1270 N C -1.005 174.478 175.510 -0.045 0.000 1.332 1270 N CA 0.211 53.252 53.050 -0.016 0.000 0.877 1270 N CB 1.564 40.034 38.487 -0.029 0.000 1.299 1270 N HN 0.118 nan 8.380 nan 0.000 0.501 1271 I N 0.439 120.991 120.570 -0.032 0.000 2.644 1271 I HA 0.234 4.404 4.170 -0.000 0.000 0.291 1271 I C -0.912 175.170 176.117 -0.059 0.000 1.180 1271 I CA -0.173 61.095 61.300 -0.054 0.000 1.040 1271 I CB 2.209 40.176 38.000 -0.055 0.000 1.255 1271 I HN -0.189 nan 8.210 nan 0.000 0.422 1272 T N 6.355 120.872 114.554 -0.062 0.000 2.932 1272 T HA 0.511 4.861 4.350 -0.000 0.000 0.289 1272 T C 0.264 174.905 174.700 -0.098 0.000 1.039 1272 T CA -0.472 61.563 62.100 -0.109 0.000 1.024 1272 T CB 2.312 71.157 68.868 -0.038 0.000 1.090 1272 T HN 0.288 nan 8.240 nan 0.000 0.496 1273 L N 0.309 121.457 121.223 -0.125 0.000 2.590 1273 L HA 0.477 4.817 4.340 -0.000 0.000 0.181 1273 L C 0.908 177.733 176.870 -0.075 0.000 1.134 1273 L CA 0.842 55.623 54.840 -0.098 0.000 0.850 1273 L CB -0.242 41.752 42.059 -0.108 0.000 1.172 1273 L HN 0.403 nan 8.230 nan 0.000 0.498 1274 R N -1.000 119.453 120.500 -0.080 0.000 2.854 1274 R HA 0.634 4.974 4.340 -0.000 0.000 0.271 1274 R C -0.514 175.778 176.300 -0.014 0.000 0.994 1274 R CA -0.300 55.774 56.100 -0.044 0.000 0.945 1274 R CB 1.755 32.029 30.300 -0.044 0.000 1.194 1274 R HN 0.251 nan 8.270 nan 0.000 0.476 1275 G N 0.058 108.871 108.800 0.023 0.000 2.756 1275 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.678 1275 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.678 1275 G C -1.161 173.810 174.900 0.118 0.000 1.349 1275 G CA -0.833 44.311 45.100 0.073 0.000 0.847 1275 G HN 0.404 nan 8.290 nan 0.000 0.548 1276 V N 0.994 120.969 119.914 0.102 0.000 2.667 1276 V HA 0.587 4.707 4.120 -0.000 0.000 0.308 1276 V C 0.935 177.020 176.094 -0.014 0.000 1.048 1276 V CA -0.044 62.290 62.300 0.057 0.000 0.928 1276 V CB 1.599 33.432 31.823 0.018 0.000 1.004 1276 V HN 1.231 nan 8.190 nan 0.000 0.444 1277 E N 3.895 124.021 120.200 -0.124 0.000 2.458 1277 E HA -0.045 4.305 4.350 -0.000 0.000 0.264 1277 E C 0.441 176.881 176.600 -0.267 0.000 1.097 1277 E CA 0.350 56.523 56.400 -0.378 0.000 0.973 1277 E CB 0.032 29.580 29.700 -0.253 0.000 0.963 1277 E HN 0.666 nan 8.360 nan 0.000 0.451 1278 N N -0.418 118.091 118.700 -0.319 0.000 2.887 1278 N HA -0.239 4.501 4.740 -0.000 0.000 0.219 1278 N C -0.142 175.307 175.510 -0.102 0.000 0.855 1278 N CA 1.828 54.780 53.050 -0.164 0.000 1.164 1278 N CB -1.265 37.160 38.487 -0.103 0.000 0.969 1278 N HN 0.588 nan 8.380 nan 0.000 0.610 1279 I N 2.716 123.234 120.570 -0.086 0.000 2.329 1279 I HA 0.036 4.206 4.170 -0.000 0.000 0.295 1279 I C 1.316 177.449 176.117 0.027 0.000 1.109 1279 I CA 0.389 61.678 61.300 -0.019 0.000 1.297 1279 I CB 0.397 38.397 38.000 0.000 0.000 1.433 1279 I HN 0.125 nan 8.210 nan 0.000 0.509 1280 E N 6.002 126.214 120.200 0.021 0.000 3.310 1280 E HA 0.319 4.669 4.350 -0.000 0.000 0.423 1280 E C 0.177 176.791 176.600 0.022 0.000 0.353 1280 E CA -0.871 55.554 56.400 0.041 0.000 2.521 1280 E CB 0.341 30.056 29.700 0.025 0.000 2.229 1280 E HN 0.454 nan 8.360 nan 0.000 0.443 1281 R N 0.422 120.913 120.500 -0.014 0.000 2.545 1281 R HA -0.015 4.325 4.340 -0.000 0.000 0.269 1281 R C -0.800 175.494 176.300 -0.009 0.000 0.970 1281 R CA 0.262 56.328 56.100 -0.057 0.000 1.096 1281 R CB -0.028 30.213 30.300 -0.098 0.000 0.889 1281 R HN 0.102 nan 8.270 nan 0.000 0.422 1282 V N 3.305 123.236 119.914 0.028 0.000 2.577 1282 V HA 0.215 4.335 4.120 -0.000 0.000 0.294 1282 V C -0.215 175.954 176.094 0.126 0.000 1.052 1282 V CA -0.798 61.542 62.300 0.068 0.000 0.891 1282 V CB 1.793 33.663 31.823 0.078 0.000 1.017 1282 V HN 0.490 nan 8.190 nan 0.000 0.436 1283 V N 4.892 124.851 119.914 0.075 0.000 3.096 1283 V HA 0.594 4.713 4.120 -0.000 0.000 0.319 1283 V C 0.152 176.278 176.094 0.053 0.000 1.082 1283 V CA -0.732 61.625 62.300 0.096 0.000 1.022 1283 V CB 2.056 33.913 31.823 0.056 0.000 1.103 1283 V HN 0.795 nan 8.190 nan 0.000 0.455 1284 M N 2.699 122.345 119.600 0.077 0.000 2.644 1284 M HA 0.676 5.156 4.480 -0.000 0.000 0.316 1284 M C -0.918 175.446 176.300 0.107 0.000 1.200 1284 M CA -0.425 54.942 55.300 0.111 0.000 0.944 1284 M CB 1.878 34.575 32.600 0.161 0.000 1.691 1284 M HN 0.375 nan 8.290 nan 0.000 0.471 1285 M N 1.563 121.195 119.600 0.053 0.000 2.365 1285 M HA 0.293 4.773 4.480 -0.000 0.000 0.287 1285 M C -1.327 174.714 176.300 -0.433 0.000 1.154 1285 M CA -0.505 54.665 55.300 -0.218 0.000 0.941 1285 M CB 2.445 34.719 32.600 -0.542 0.000 1.704 1285 M HN 0.592 nan 8.290 nan 0.000 0.479 1286 K N 2.961 123.025 120.400 -0.560 0.000 2.206 1286 K HA 0.369 4.689 4.320 -0.000 0.000 0.268 1286 K C -1.230 175.238 176.600 -0.221 0.000 1.111 1286 K CA -0.008 55.837 56.287 -0.737 0.000 0.955 1286 K CB 0.371 32.332 32.500 -0.900 0.000 1.406 1286 K HN 0.575 nan 8.250 nan 0.000 0.427 1287 Y N 1.425 121.591 120.300 -0.223 0.000 2.301 1287 Y HA 0.041 4.591 4.550 -0.000 0.000 0.328 1287 Y C 0.649 176.505 175.900 -0.074 0.000 1.242 1287 Y CA -1.069 56.973 58.100 -0.096 0.000 1.323 1287 Y CB 0.991 39.443 38.460 -0.014 0.000 1.266 1287 Y HN 0.406 nan 8.280 nan 0.000 0.527 1288 D N 3.720 124.175 120.400 0.092 0.000 2.339 1288 D HA 0.132 4.772 4.640 -0.000 0.000 0.241 1288 D C -0.416 175.903 176.300 0.030 0.000 1.183 1288 D CA 0.075 54.091 54.000 0.026 0.000 0.859 1288 D CB 0.857 41.654 40.800 -0.006 0.000 1.067 1288 D HN 0.361 nan 8.370 nan 0.000 0.484 1289 R N 2.762 123.289 120.500 0.045 0.000 2.476 1289 R HA 0.235 4.575 4.340 -0.000 0.000 0.305 1289 R C -0.452 175.865 176.300 0.027 0.000 0.965 1289 R CA -0.728 55.400 56.100 0.046 0.000 0.867 1289 R CB 1.302 31.646 30.300 0.073 0.000 1.176 1289 R HN 0.175 nan 8.270 nan 0.000 0.447 1290 K N 2.526 122.951 120.400 0.041 0.000 2.185 1290 K HA 0.487 4.807 4.320 -0.000 0.000 0.271 1290 K C -0.835 175.737 176.600 -0.048 0.000 1.013 1290 K CA -0.621 55.701 56.287 0.057 0.000 0.943 1290 K CB 1.860 34.465 32.500 0.174 0.000 0.998 1290 K HN 0.234 nan 8.250 nan 0.000 0.468 1291 V N 2.783 122.575 119.914 -0.203 0.000 3.236 1291 V HA 0.146 4.266 4.120 -0.000 0.000 0.287 1291 V C -2.677 173.062 176.094 -0.592 0.000 1.491 1291 V CA -1.817 60.214 62.300 -0.450 0.000 1.037 1291 V CB 2.498 34.189 31.823 -0.219 0.000 1.160 1291 V HN 0.607 nan 8.190 nan 0.000 0.453 1292 P HA 0.128 nan 4.420 nan 0.000 0.264 1292 P C -0.372 176.819 177.300 -0.181 0.000 1.229 1292 P CA 0.656 63.504 63.100 -0.420 0.000 0.780 1292 P CB 0.422 31.936 31.700 -0.311 0.000 0.808 1293 S N 5.627 121.269 115.700 -0.097 0.000 2.584 1293 S HA 0.166 4.636 4.470 -0.000 0.000 0.270 1293 S C -0.809 173.774 174.600 -0.030 0.000 1.346 1293 S CA -1.384 56.790 58.200 -0.043 0.000 1.018 1293 S CB -0.076 63.122 63.200 -0.004 0.000 0.899 1293 S HN 0.317 nan 8.310 nan 0.000 0.542 1294 P HA -0.110 nan 4.420 nan 0.000 0.218 1294 P C 1.405 178.707 177.300 0.002 0.000 1.148 1294 P CA 1.510 64.603 63.100 -0.012 0.000 0.822 1294 P CB -0.458 31.238 31.700 -0.007 0.000 0.784 1295 T N -2.971 111.590 114.554 0.012 0.000 3.072 1295 T HA 0.156 4.506 4.350 -0.000 0.000 0.266 1295 T C 1.498 176.221 174.700 0.037 0.000 1.127 1295 T CA 1.813 63.929 62.100 0.027 0.000 1.107 1295 T CB -0.706 68.180 68.868 0.031 0.000 0.910 1295 T HN 0.311 nan 8.240 nan 0.000 0.513 1296 G N 0.424 109.244 108.800 0.034 0.000 2.352 1296 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.204 1296 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.204 1296 G C -0.174 174.783 174.900 0.095 0.000 1.004 1296 G CA -0.077 45.053 45.100 0.050 0.000 0.648 1296 G HN 0.671 nan 8.290 nan 0.000 0.491 1297 E N 0.087 120.344 120.200 0.095 0.000 2.374 1297 E HA 0.567 4.917 4.350 -0.000 0.000 0.260 1297 E C -0.693 176.022 176.600 0.192 0.000 1.101 1297 E CA -0.600 55.883 56.400 0.139 0.000 0.907 1297 E CB 0.812 30.569 29.700 0.095 0.000 1.014 1297 E HN 0.243 nan 8.360 nan 0.000 0.427 1298 Y N 0.658 120.960 120.300 0.005 0.000 2.313 1298 Y HA 0.359 4.909 4.550 -0.000 0.000 0.332 1298 Y C -0.196 175.706 175.900 0.005 0.000 1.071 1298 Y CA -0.534 57.568 58.100 0.003 0.000 1.169 1298 Y CB 0.911 39.373 38.460 0.004 0.000 1.192 1298 Y HN 0.198 nan 8.280 nan 0.000 0.487 1299 V N 3.413 123.362 119.914 0.059 0.000 3.078 1299 V HA 0.325 4.445 4.120 -0.000 0.000 0.311 1299 V C -0.756 175.350 176.094 0.020 0.000 1.138 1299 V CA -1.983 60.343 62.300 0.044 0.000 1.007 1299 V CB 2.308 34.146 31.823 0.024 0.000 1.045 1299 V HN 0.505 nan 8.190 nan 0.000 0.432 1300 K N 2.424 122.839 120.400 0.026 0.000 2.315 1300 K HA 0.108 4.428 4.320 -0.000 0.000 0.281 1300 K C 0.017 176.621 176.600 0.006 0.000 1.086 1300 K CA 0.447 56.744 56.287 0.017 0.000 1.042 1300 K CB 0.246 32.755 32.500 0.015 0.000 0.949 1300 K HN 0.624 nan 8.250 nan 0.000 0.450 1301 E N 5.343 125.544 120.200 0.001 0.000 3.167 1301 E HA 0.136 4.486 4.350 -0.000 0.000 0.212 1301 E C -2.233 174.372 176.600 0.008 0.000 1.143 1301 E CA -2.208 54.193 56.400 0.000 0.000 1.002 1301 E CB 0.546 30.240 29.700 -0.011 0.000 1.315 1301 E HN 0.341 nan 8.360 nan 0.000 0.422 1302 P HA -0.125 nan 4.420 nan 0.000 0.269 1302 P C -0.805 176.485 177.300 -0.018 0.000 1.200 1302 P CA 0.623 63.708 63.100 -0.025 0.000 0.779 1302 P CB 0.483 32.131 31.700 -0.087 0.000 0.841 1303 E N -0.135 120.051 120.200 -0.023 0.000 2.321 1303 E HA 0.358 4.708 4.350 -0.000 0.000 0.281 1303 E C -1.500 175.082 176.600 -0.030 0.000 0.910 1303 E CA -0.941 55.480 56.400 0.035 0.000 0.770 1303 E CB 0.490 30.276 29.700 0.142 0.000 1.225 1303 E HN 0.249 nan 8.360 nan 0.000 0.417 1304 W N 2.314 123.632 121.300 0.030 0.000 2.190 1304 W HA 0.455 5.115 4.660 -0.000 0.000 0.330 1304 W C -0.323 176.155 176.519 -0.069 0.000 1.299 1304 W CA 0.062 57.384 57.345 -0.037 0.000 1.215 1304 W CB 1.122 30.565 29.460 -0.028 0.000 1.147 1304 W HN 0.325 nan 8.180 nan 0.000 0.563 1305 V N 3.817 123.747 119.914 0.026 0.000 3.147 1305 V HA 0.423 4.543 4.120 -0.000 0.000 0.306 1305 V C -0.450 175.547 176.094 -0.160 0.000 1.209 1305 V CA -1.364 60.861 62.300 -0.124 0.000 1.023 1305 V CB 1.960 33.573 31.823 -0.351 0.000 1.059 1305 V HN 0.280 nan 8.190 nan 0.000 0.435 1306 L N 1.947 123.084 121.223 -0.144 0.000 2.325 1306 L HA 0.649 4.989 4.340 -0.000 0.000 0.278 1306 L C -0.242 176.563 176.870 -0.110 0.000 1.023 1306 L CA -0.440 54.343 54.840 -0.095 0.000 0.811 1306 L CB 1.732 43.770 42.059 -0.036 0.000 1.249 1306 L HN 0.662 nan 8.230 nan 0.000 0.431 1307 E N 1.078 121.237 120.200 -0.069 0.000 2.222 1307 E HA 0.357 4.707 4.350 -0.000 0.000 0.267 1307 E C -0.797 175.796 176.600 -0.012 0.000 0.884 1307 E CA -0.437 55.940 56.400 -0.038 0.000 0.764 1307 E CB 2.932 32.616 29.700 -0.026 0.000 1.169 1307 E HN 0.483 nan 8.360 nan 0.000 0.413 1308 T N 0.074 114.624 114.554 -0.006 0.000 2.902 1308 T HA 0.166 4.516 4.350 -0.000 0.000 0.287 1308 T C -0.174 174.523 174.700 -0.004 0.000 1.048 1308 T CA -0.180 61.920 62.100 -0.001 0.000 0.941 1308 T CB 0.698 69.566 68.868 -0.001 0.000 1.432 1308 T HN 0.429 nan 8.240 nan 0.000 0.586 1309 D N -0.942 119.455 120.400 -0.005 0.000 2.615 1309 D HA 0.297 4.937 4.640 -0.000 0.000 0.274 1309 D C -0.039 176.255 176.300 -0.011 0.000 1.512 1309 D CA -0.009 53.986 54.000 -0.009 0.000 0.803 1309 D CB 0.552 41.344 40.800 -0.013 0.000 1.182 1309 D HN 0.705 nan 8.370 nan 0.000 0.473 1310 G N -0.445 108.348 108.800 -0.013 0.000 2.645 1310 G HA2 0.523 4.483 3.960 -0.000 0.000 0.292 1310 G HA3 0.523 4.483 3.960 -0.000 0.000 0.292 1310 G C -1.621 173.268 174.900 -0.019 0.000 1.415 1310 G CA -0.378 44.711 45.100 -0.019 0.000 0.785 1310 G HN -0.077 nan 8.290 nan 0.000 0.483 1311 V N 1.429 121.329 119.914 -0.024 0.000 2.509 1311 V HA 0.502 4.622 4.120 -0.000 0.000 0.289 1311 V C -0.764 175.318 176.094 -0.021 0.000 1.026 1311 V CA -0.968 61.321 62.300 -0.020 0.000 0.872 1311 V CB 1.566 33.379 31.823 -0.018 0.000 1.017 1311 V HN 0.726 nan 8.190 nan 0.000 0.436 1312 N N 4.022 122.713 118.700 -0.015 0.000 2.752 1312 N HA 0.175 4.915 4.740 -0.000 0.000 0.260 1312 N C 0.510 176.020 175.510 0.000 0.000 1.562 1312 N CA -0.370 52.672 53.050 -0.014 0.000 0.788 1312 N CB 1.504 39.975 38.487 -0.026 0.000 1.192 1312 N HN 0.557 nan 8.380 nan 0.000 0.503 1313 L N 2.651 123.879 121.223 0.007 0.000 1.933 1313 L HA -0.169 4.171 4.340 -0.000 0.000 0.220 1313 L C 2.165 179.050 176.870 0.024 0.000 1.078 1313 L CA 2.406 57.259 54.840 0.022 0.000 0.773 1313 L CB -1.267 40.809 42.059 0.029 0.000 0.890 1313 L HN 0.564 nan 8.230 nan 0.000 0.434 1314 S N -1.780 113.931 115.700 0.019 0.000 2.535 1314 S HA -0.226 4.244 4.470 -0.000 0.000 0.259 1314 S C 1.346 175.956 174.600 0.017 0.000 0.977 1314 S CA 1.702 59.913 58.200 0.018 0.000 0.962 1314 S CB -0.584 62.623 63.200 0.012 0.000 0.742 1314 S HN 0.760 nan 8.310 nan 0.000 0.530 1315 E N -0.407 119.803 120.200 0.016 0.000 2.717 1315 E HA 0.133 4.483 4.350 -0.000 0.000 0.204 1315 E C 1.514 178.126 176.600 0.021 0.000 0.911 1315 E CA 0.425 56.834 56.400 0.015 0.000 1.370 1315 E CB 0.135 29.839 29.700 0.008 0.000 1.315 1315 E HN 0.292 nan 8.360 nan 0.000 0.643 1316 V N 2.252 122.179 119.914 0.022 0.000 2.828 1316 V HA -0.238 3.882 4.120 -0.000 0.000 0.260 1316 V C 2.199 178.317 176.094 0.039 0.000 1.101 1316 V CA 1.543 63.859 62.300 0.028 0.000 1.123 1316 V CB -0.484 31.355 31.823 0.027 0.000 0.704 1316 V HN 0.324 nan 8.190 nan 0.000 0.493 1317 M N 1.068 120.693 119.600 0.042 0.000 2.334 1317 M HA -0.072 4.408 4.480 -0.000 0.000 0.266 1317 M C 1.996 178.323 176.300 0.045 0.000 1.082 1317 M CA 1.762 57.093 55.300 0.052 0.000 1.141 1317 M CB -0.014 32.618 32.600 0.054 0.000 1.380 1317 M HN 0.545 nan 8.290 nan 0.000 0.440 1318 T N -1.231 113.344 114.554 0.035 0.000 3.272 1318 T HA 0.230 4.580 4.350 -0.000 0.000 0.250 1318 T C 0.227 174.944 174.700 0.027 0.000 1.082 1318 T CA -0.381 61.737 62.100 0.030 0.000 0.968 1318 T CB -0.781 68.101 68.868 0.023 0.000 1.015 1318 T HN 0.072 nan 8.240 nan 0.000 0.563 1319 V N 4.045 123.977 119.914 0.030 0.000 2.686 1319 V HA 0.368 4.488 4.120 -0.000 0.000 0.295 1319 V C -1.856 174.254 176.094 0.028 0.000 1.057 1319 V CA -2.099 60.216 62.300 0.025 0.000 1.012 1319 V CB 1.178 33.015 31.823 0.023 0.000 1.006 1319 V HN 0.377 nan 8.190 nan 0.000 0.477 1320 P HA 0.308 nan 4.420 nan 0.000 0.275 1320 P C 0.498 177.807 177.300 0.015 0.000 1.276 1320 P CA 0.524 63.635 63.100 0.019 0.000 0.782 1320 P CB 0.922 32.627 31.700 0.008 0.000 0.851 1321 G N 3.197 112.019 108.800 0.037 0.000 2.425 1321 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.177 1321 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.177 1321 G C -0.010 174.941 174.900 0.084 0.000 0.999 1321 G CA -0.040 45.084 45.100 0.041 0.000 0.723 1321 G HN 0.604 nan 8.290 nan 0.000 0.491 1322 I N -2.039 118.583 120.570 0.086 0.000 2.982 1322 I HA 0.744 4.914 4.170 -0.000 0.000 0.312 1322 I C -0.946 175.240 176.117 0.114 0.000 1.041 1322 I CA -1.217 60.148 61.300 0.110 0.000 1.053 1322 I CB 1.947 40.007 38.000 0.100 0.000 1.248 1322 I HN -0.109 nan 8.210 nan 0.000 0.471 1323 D N 4.623 125.104 120.400 0.136 0.000 2.500 1323 D HA 0.240 4.880 4.640 -0.000 0.000 0.219 1323 D C -1.800 174.561 176.300 0.101 0.000 1.137 1323 D CA -1.870 52.195 54.000 0.109 0.000 0.946 1323 D CB 0.995 41.861 40.800 0.111 0.000 1.022 1323 D HN 0.375 nan 8.370 nan 0.000 0.518 1324 P HA -0.023 nan 4.420 nan 0.000 0.274 1324 P C 0.652 177.990 177.300 0.064 0.000 1.370 1324 P CA 0.376 63.521 63.100 0.075 0.000 0.760 1324 P CB 0.264 31.999 31.700 0.058 0.000 1.308 1325 T N -0.981 113.606 114.554 0.055 0.000 2.975 1325 T HA 0.206 4.556 4.350 -0.000 0.000 0.257 1325 T C 1.357 176.066 174.700 0.016 0.000 1.003 1325 T CA 0.122 62.239 62.100 0.028 0.000 0.932 1325 T CB 0.307 69.178 68.868 0.004 0.000 1.087 1325 T HN 0.191 nan 8.240 nan 0.000 0.512 1326 R N 0.328 120.850 120.500 0.037 0.000 2.549 1326 R HA 0.431 4.771 4.340 -0.000 0.000 0.344 1326 R C 0.261 176.676 176.300 0.191 0.000 0.979 1326 R CA -0.198 55.892 56.100 -0.017 0.000 1.140 1326 R CB 0.832 30.985 30.300 -0.246 0.000 1.377 1326 R HN 0.315 nan 8.270 nan 0.000 0.541 1327 I N 1.182 121.901 120.570 0.247 0.000 2.648 1327 I HA 0.019 4.189 4.170 -0.000 0.000 0.284 1327 I C -1.103 175.228 176.117 0.357 0.000 1.153 1327 I CA 0.115 61.604 61.300 0.315 0.000 1.426 1327 I CB 0.387 38.507 38.000 0.201 0.000 1.381 1327 I HN 0.027 nan 8.210 nan 0.000 0.571 1328 Y N 5.856 126.287 120.300 0.218 0.000 2.433 1328 Y HA 0.417 4.967 4.550 -0.000 0.000 0.337 1328 Y C -1.102 174.886 175.900 0.147 0.000 1.026 1328 Y CA -0.706 57.501 58.100 0.178 0.000 1.037 1328 Y CB 1.822 40.407 38.460 0.210 0.000 1.245 1328 Y HN 0.523 nan 8.280 nan 0.000 0.443 1329 T N 5.696 119.987 114.554 -0.438 0.000 2.807 1329 T HA 0.168 4.518 4.350 -0.000 0.000 0.279 1329 T C 0.744 175.039 174.700 -0.675 0.000 0.993 1329 T CA -0.554 61.290 62.100 -0.427 0.000 0.970 1329 T CB 0.673 69.461 68.868 -0.133 0.000 0.950 1329 T HN 0.776 nan 8.240 nan 0.000 0.441 1330 N N 1.807 120.200 118.700 -0.511 0.000 2.430 1330 N HA -0.087 4.653 4.740 -0.000 0.000 0.186 1330 N C 0.921 176.433 175.510 0.002 0.000 1.032 1330 N CA 0.426 53.298 53.050 -0.297 0.000 0.893 1330 N CB 0.055 38.472 38.487 -0.117 0.000 0.957 1330 N HN 0.332 nan 8.380 nan 0.000 0.442 1331 S N 0.261 115.982 115.700 0.035 0.000 3.065 1331 S HA 0.123 4.593 4.470 -0.000 0.000 0.311 1331 S C 0.767 175.519 174.600 0.252 0.000 1.204 1331 S CA -0.942 57.374 58.200 0.193 0.000 1.040 1331 S CB -1.211 62.025 63.200 0.060 0.000 1.436 1331 S HN 0.403 nan 8.310 nan 0.000 0.532 1332 F N 2.874 122.834 119.950 0.018 0.000 2.202 1332 F HA -0.073 4.454 4.527 -0.000 0.000 0.301 1332 F C 1.821 177.653 175.800 0.054 0.000 1.082 1332 F CA 0.231 58.272 58.000 0.068 0.000 1.313 1332 F CB -0.470 38.590 39.000 0.100 0.000 1.024 1332 F HN 0.408 nan 8.300 nan 0.000 0.495 1333 I N 2.064 122.328 120.570 -0.509 0.000 2.143 1333 I HA -0.317 3.853 4.170 -0.000 0.000 0.245 1333 I C 2.041 178.072 176.117 -0.144 0.000 1.068 1333 I CA 1.909 62.953 61.300 -0.426 0.000 1.326 1333 I CB -0.922 36.840 38.000 -0.397 0.000 1.028 1333 I HN 0.324 nan 8.210 nan 0.000 0.412 1334 D N 0.330 120.693 120.400 -0.063 0.000 2.085 1334 D HA -0.081 4.559 4.640 -0.000 0.000 0.199 1334 D C 2.255 178.574 176.300 0.031 0.000 0.981 1334 D CA 0.874 54.867 54.000 -0.012 0.000 0.834 1334 D CB -0.228 40.572 40.800 -0.000 0.000 0.992 1334 D HN 0.304 nan 8.370 nan 0.000 0.457 1335 I N 1.294 121.911 120.570 0.078 0.000 2.462 1335 I HA -0.271 3.899 4.170 -0.000 0.000 0.259 1335 I C 2.405 178.587 176.117 0.108 0.000 1.156 1335 I CA 0.809 62.183 61.300 0.124 0.000 1.417 1335 I CB -0.174 37.953 38.000 0.212 0.000 1.088 1335 I HN 0.084 nan 8.210 nan 0.000 0.442 1336 M N 0.347 119.995 119.600 0.079 0.000 2.394 1336 M HA -0.091 4.389 4.480 -0.000 0.000 0.266 1336 M C 1.781 178.104 176.300 0.037 0.000 1.098 1336 M CA 1.634 56.972 55.300 0.064 0.000 1.149 1336 M CB -0.119 32.508 32.600 0.045 0.000 1.369 1336 M HN 0.185 nan 8.290 nan 0.000 0.450 1337 E N -0.510 119.701 120.200 0.019 0.000 2.358 1337 E HA -0.056 4.294 4.350 -0.000 0.000 0.195 1337 E C 1.805 178.418 176.600 0.021 0.000 1.010 1337 E CA 0.561 56.968 56.400 0.012 0.000 0.856 1337 E CB 0.378 30.076 29.700 -0.004 0.000 0.795 1337 E HN 0.351 nan 8.360 nan 0.000 0.504 1338 V N 0.453 120.387 119.914 0.033 0.000 2.635 1338 V HA -0.060 4.060 4.120 -0.000 0.000 0.233 1338 V C 1.975 178.096 176.094 0.045 0.000 1.097 1338 V CA 0.523 62.846 62.300 0.037 0.000 1.134 1338 V CB -0.272 31.577 31.823 0.044 0.000 0.841 1338 V HN 0.161 nan 8.190 nan 0.000 0.496 1339 L N 0.473 121.732 121.223 0.060 0.000 2.313 1339 L HA 0.372 4.712 4.340 -0.000 0.000 0.214 1339 L C 1.045 177.950 176.870 0.057 0.000 1.119 1339 L CA 1.001 55.879 54.840 0.063 0.000 0.809 1339 L CB -0.549 41.560 42.059 0.083 0.000 0.933 1339 L HN 0.641 nan 8.230 nan 0.000 0.449 1340 G N -0.482 108.353 108.800 0.057 0.000 2.697 1340 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.686 1340 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.686 1340 G C 0.272 175.211 174.900 0.066 0.000 1.179 1340 G CA -0.235 44.897 45.100 0.053 0.000 0.765 1340 G HN 0.024 nan 8.290 nan 0.000 0.649 1341 I N 0.377 120.983 120.570 0.061 0.000 2.103 1341 I HA -0.280 3.890 4.170 -0.000 0.000 0.241 1341 I C 2.647 178.813 176.117 0.083 0.000 1.036 1341 I CA 2.611 63.954 61.300 0.072 0.000 1.300 1341 I CB 0.013 38.050 38.000 0.062 0.000 1.010 1341 I HN 0.765 nan 8.210 nan 0.000 0.406 1342 E N 0.657 120.899 120.200 0.070 0.000 2.086 1342 E HA -0.276 4.074 4.350 -0.000 0.000 0.200 1342 E C 2.056 178.702 176.600 0.077 0.000 1.012 1342 E CA 1.762 58.202 56.400 0.068 0.000 0.812 1342 E CB -0.453 29.278 29.700 0.052 0.000 0.743 1342 E HN 0.692 nan 8.360 nan 0.000 0.453 1343 A N 0.279 123.147 122.820 0.079 0.000 2.167 1343 A HA 0.085 4.405 4.320 -0.000 0.000 0.214 1343 A C 2.261 179.928 177.584 0.138 0.000 1.151 1343 A CA 1.323 53.416 52.037 0.092 0.000 0.735 1343 A CB -0.414 18.637 19.000 0.085 0.000 0.802 1343 A HN 0.301 nan 8.150 nan 0.000 0.467 1344 G N -0.525 108.361 108.800 0.142 0.000 2.404 1344 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.213 1344 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.213 1344 G C 1.690 176.720 174.900 0.217 0.000 1.189 1344 G CA 0.663 45.879 45.100 0.193 0.000 0.796 1344 G HN 0.455 nan 8.290 nan 0.000 0.532 1345 R N 0.542 121.142 120.500 0.168 0.000 2.103 1345 R HA -0.136 4.204 4.340 -0.000 0.000 0.242 1345 R C 2.864 179.273 176.300 0.182 0.000 1.142 1345 R CA 1.561 57.759 56.100 0.164 0.000 0.960 1345 R CB -0.427 29.941 30.300 0.113 0.000 0.858 1345 R HN 0.306 nan 8.270 nan 0.000 0.439 1346 A N 0.432 123.345 122.820 0.155 0.000 1.917 1346 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 1346 A C 2.294 179.991 177.584 0.188 0.000 1.182 1346 A CA 1.984 54.113 52.037 0.153 0.000 0.633 1346 A CB -0.647 18.407 19.000 0.090 0.000 0.819 1346 A HN 0.545 nan 8.150 nan 0.000 0.448 1347 A N -0.566 122.386 122.820 0.219 0.000 1.840 1347 A HA 0.078 4.398 4.320 -0.000 0.000 0.214 1347 A C 2.107 179.780 177.584 0.149 0.000 1.198 1347 A CA 1.566 53.773 52.037 0.284 0.000 0.608 1347 A CB -0.833 18.436 19.000 0.447 0.000 0.839 1347 A HN 0.801 nan 8.150 nan 0.000 0.443 1348 L N -1.107 120.199 121.223 0.138 0.000 2.010 1348 L HA -0.259 4.081 4.340 -0.000 0.000 0.219 1348 L C 2.319 179.171 176.870 -0.031 0.000 1.077 1348 L CA 2.908 57.719 54.840 -0.048 0.000 0.773 1348 L CB -1.138 41.035 42.059 0.190 0.000 0.892 1348 L HN 0.559 nan 8.230 nan 0.000 0.436 1349 Y N 0.245 120.550 120.300 0.009 0.000 2.089 1349 Y HA -0.261 4.289 4.550 -0.000 0.000 0.282 1349 Y C 2.698 178.631 175.900 0.054 0.000 1.139 1349 Y CA 2.396 60.502 58.100 0.009 0.000 1.123 1349 Y CB -0.433 38.024 38.460 -0.005 0.000 0.980 1349 Y HN 0.190 nan 8.280 nan 0.000 0.493 1350 K N -0.053 120.349 120.400 0.004 0.000 2.089 1350 K HA -0.313 4.007 4.320 -0.000 0.000 0.210 1350 K C 2.082 178.661 176.600 -0.035 0.000 1.048 1350 K CA 2.160 58.429 56.287 -0.030 0.000 0.926 1350 K CB -0.228 32.299 32.500 0.045 0.000 0.714 1350 K HN 0.338 nan 8.250 nan 0.000 0.448 1351 E N 0.112 120.286 120.200 -0.043 0.000 2.031 1351 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 1351 E C 1.837 178.355 176.600 -0.136 0.000 0.994 1351 E CA 1.248 57.598 56.400 -0.083 0.000 0.800 1351 E CB -0.057 29.502 29.700 -0.236 0.000 0.752 1351 E HN 0.075 nan 8.360 nan 0.000 0.447 1352 V N 0.564 120.362 119.914 -0.193 0.000 2.392 1352 V HA -0.267 3.853 4.120 -0.000 0.000 0.249 1352 V C 2.129 178.128 176.094 -0.158 0.000 1.059 1352 V CA 2.085 64.285 62.300 -0.167 0.000 1.051 1352 V CB -0.769 30.963 31.823 -0.151 0.000 0.658 1352 V HN 0.397 nan 8.190 nan 0.000 0.455 1353 Y N 1.957 122.028 120.300 -0.382 0.000 2.181 1353 Y HA -0.187 4.363 4.550 -0.000 0.000 0.288 1353 Y C 2.390 178.207 175.900 -0.138 0.000 1.146 1353 Y CA 1.866 59.780 58.100 -0.311 0.000 1.164 1353 Y CB -0.414 37.754 38.460 -0.487 0.000 0.982 1353 Y HN 0.269 nan 8.280 nan 0.000 0.515 1354 N N -0.011 118.598 118.700 -0.152 0.000 2.573 1354 N HA -0.108 4.632 4.740 -0.000 0.000 0.187 1354 N C 1.618 177.022 175.510 -0.176 0.000 1.107 1354 N CA 1.220 54.162 53.050 -0.179 0.000 0.918 1354 N CB 0.147 38.635 38.487 0.001 0.000 0.966 1354 N HN 0.339 nan 8.380 nan 0.000 0.448 1355 V N 0.644 120.461 119.914 -0.162 0.000 2.992 1355 V HA 0.052 4.172 4.120 -0.000 0.000 0.250 1355 V C 2.033 178.048 176.094 -0.132 0.000 1.090 1355 V CA 0.651 62.880 62.300 -0.118 0.000 1.101 1355 V CB 0.069 31.838 31.823 -0.090 0.000 0.743 1355 V HN 0.170 nan 8.190 nan 0.000 0.468 1356 I N 0.410 120.872 120.570 -0.180 0.000 3.030 1356 I HA 0.017 4.187 4.170 -0.000 0.000 0.270 1356 I C 2.459 178.461 176.117 -0.192 0.000 1.211 1356 I CA 1.020 62.231 61.300 -0.149 0.000 1.479 1356 I CB -0.270 37.662 38.000 -0.113 0.000 1.105 1356 I HN 0.252 nan 8.210 nan 0.000 0.447 1357 A N 0.795 123.407 122.820 -0.346 0.000 1.975 1357 A HA -0.115 4.205 4.320 -0.000 0.000 0.215 1357 A C 2.397 179.867 177.584 -0.189 0.000 1.170 1357 A CA 1.344 53.167 52.037 -0.357 0.000 0.656 1357 A CB -0.526 18.058 19.000 -0.693 0.000 0.821 1357 A HN 0.454 nan 8.150 nan 0.000 0.449 1358 S N -0.609 114.999 115.700 -0.154 0.000 2.507 1358 S HA -0.116 4.354 4.470 -0.000 0.000 0.235 1358 S C 1.254 175.816 174.600 -0.064 0.000 0.988 1358 S CA 1.208 59.355 58.200 -0.088 0.000 0.944 1358 S CB -0.228 62.931 63.200 -0.068 0.000 0.762 1358 S HN 0.524 nan 8.310 nan 0.000 0.526 1359 D N 0.998 121.356 120.400 -0.070 0.000 2.354 1359 D HA 0.157 4.797 4.640 -0.000 0.000 0.209 1359 D C 1.476 177.756 176.300 -0.033 0.000 1.015 1359 D CA 0.874 54.847 54.000 -0.044 0.000 0.867 1359 D CB 0.185 40.960 40.800 -0.042 0.000 0.933 1359 D HN 0.605 nan 8.370 nan 0.000 0.520 1360 G N 0.768 109.541 108.800 -0.045 0.000 2.159 1360 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.256 1360 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.256 1360 G C 0.659 175.559 174.900 -0.001 0.000 0.977 1360 G CA 0.621 45.704 45.100 -0.028 0.000 0.652 1360 G HN 0.344 nan 8.290 nan 0.000 0.531 1361 S N -1.099 114.602 115.700 0.003 0.000 2.598 1361 S HA 0.733 5.203 4.470 -0.000 0.000 0.267 1361 S C -0.441 174.246 174.600 0.145 0.000 1.189 1361 S CA 0.363 58.593 58.200 0.051 0.000 1.010 1361 S CB 1.100 64.312 63.200 0.021 0.000 1.084 1361 S HN 1.179 nan 8.310 nan 0.000 0.541 1362 Y N -0.022 120.278 120.300 0.000 0.000 2.376 1362 Y HA 0.502 5.052 4.550 -0.000 0.000 0.321 1362 Y C -1.838 174.111 175.900 0.082 0.000 1.189 1362 Y CA -0.970 57.156 58.100 0.042 0.000 1.069 1362 Y CB 0.258 38.742 38.460 0.041 0.000 1.292 1362 Y HN 0.318 nan 8.280 nan 0.000 0.430 1363 V N 6.416 126.275 119.914 -0.092 0.000 2.604 1363 V HA 0.356 4.476 4.120 -0.000 0.000 0.305 1363 V C -0.266 175.750 176.094 -0.129 0.000 1.043 1363 V CA -1.128 61.078 62.300 -0.156 0.000 0.888 1363 V CB 1.947 33.820 31.823 0.083 0.000 0.995 1363 V HN 0.820 nan 8.190 nan 0.000 0.429 1364 N N 3.054 121.645 118.700 -0.181 0.000 2.405 1364 N HA 0.051 4.791 4.740 -0.000 0.000 0.260 1364 N C 1.023 176.599 175.510 0.111 0.000 1.152 1364 N CA -0.148 52.907 53.050 0.007 0.000 0.948 1364 N CB 0.281 38.723 38.487 -0.075 0.000 1.111 1364 N HN 0.751 nan 8.380 nan 0.000 0.485 1365 Y N 5.280 125.681 120.300 0.167 0.000 2.212 1365 Y HA -0.530 4.020 4.550 -0.000 0.000 0.188 1365 Y C 2.163 178.069 175.900 0.009 0.000 1.270 1365 Y CA 3.159 61.340 58.100 0.135 0.000 0.872 1365 Y CB -0.553 37.925 38.460 0.030 0.000 0.674 1365 Y HN 0.719 nan 8.280 nan 0.000 0.578 1366 R N -1.455 119.029 120.500 -0.026 0.000 2.227 1366 R HA -0.325 4.015 4.340 -0.000 0.000 0.259 1366 R C 1.820 177.996 176.300 -0.207 0.000 1.139 1366 R CA 2.209 58.162 56.100 -0.244 0.000 0.969 1366 R CB -1.473 28.570 30.300 -0.429 0.000 0.903 1366 R HN 0.598 nan 8.270 nan 0.000 0.452 1367 H N 0.680 119.762 119.070 0.020 0.000 2.307 1367 H HA 0.052 4.608 4.556 -0.000 0.000 0.303 1367 H C 2.391 177.721 175.328 0.003 0.000 1.073 1367 H CA 1.811 57.877 56.048 0.030 0.000 1.338 1367 H CB -0.431 29.347 29.762 0.027 0.000 1.389 1367 H HN 0.256 nan 8.280 nan 0.000 0.503 1368 M N 0.417 120.110 119.600 0.156 0.000 2.108 1368 M HA -0.147 4.333 4.480 -0.000 0.000 0.261 1368 M C 2.723 179.078 176.300 0.091 0.000 1.066 1368 M CA 1.523 56.919 55.300 0.160 0.000 1.107 1368 M CB -0.397 32.380 32.600 0.295 0.000 1.356 1368 M HN 0.250 nan 8.290 nan 0.000 0.406 1369 A N 0.791 123.493 122.820 -0.197 0.000 1.851 1369 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 1369 A C 2.137 179.642 177.584 -0.131 0.000 1.195 1369 A CA 1.768 53.564 52.037 -0.402 0.000 0.622 1369 A CB -1.068 17.410 19.000 -0.871 0.000 0.831 1369 A HN 0.444 nan 8.150 nan 0.000 0.444 1370 L N -0.599 120.588 121.223 -0.060 0.000 1.997 1370 L HA -0.220 4.120 4.340 -0.000 0.000 0.216 1370 L C 2.342 179.214 176.870 0.003 0.000 1.074 1370 L CA 2.578 57.425 54.840 0.012 0.000 0.763 1370 L CB -0.667 41.445 42.059 0.089 0.000 0.890 1370 L HN 0.441 nan 8.230 nan 0.000 0.434 1371 L N -1.272 119.960 121.223 0.014 0.000 1.994 1371 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 1371 L C 2.478 179.362 176.870 0.025 0.000 1.071 1371 L CA 1.998 56.841 54.840 0.005 0.000 0.745 1371 L CB -0.995 41.069 42.059 0.008 0.000 0.892 1371 L HN 0.123 nan 8.230 nan 0.000 0.431 1372 V N 0.094 120.039 119.914 0.051 0.000 2.546 1372 V HA -0.317 3.803 4.120 -0.000 0.000 0.254 1372 V C 2.117 178.248 176.094 0.062 0.000 1.076 1372 V CA 2.340 64.690 62.300 0.083 0.000 1.087 1372 V CB -0.619 31.291 31.823 0.145 0.000 0.674 1372 V HN 0.609 nan 8.190 nan 0.000 0.470 1373 D N -0.770 119.645 120.400 0.025 0.000 2.162 1373 D HA -0.054 4.586 4.640 -0.000 0.000 0.205 1373 D C 2.132 178.439 176.300 0.013 0.000 0.964 1373 D CA 1.409 55.417 54.000 0.014 0.000 0.847 1373 D CB -0.013 40.780 40.800 -0.012 0.000 0.988 1373 D HN 0.410 nan 8.370 nan 0.000 0.480 1374 V N 1.537 121.451 119.914 0.000 0.000 2.392 1374 V HA -0.253 3.867 4.120 -0.000 0.000 0.249 1374 V C 2.506 178.615 176.094 0.024 0.000 1.059 1374 V CA 1.354 63.649 62.300 -0.009 0.000 1.051 1374 V CB -0.513 31.283 31.823 -0.045 0.000 0.658 1374 V HN 0.202 nan 8.190 nan 0.000 0.455 1375 M N -0.591 119.036 119.600 0.045 0.000 2.254 1375 M HA -0.114 4.366 4.480 -0.000 0.000 0.265 1375 M C 2.349 178.702 176.300 0.088 0.000 1.066 1375 M CA 2.021 57.370 55.300 0.082 0.000 1.123 1375 M CB -0.480 32.184 32.600 0.107 0.000 1.388 1375 M HN 0.465 nan 8.290 nan 0.000 0.425 1376 T N -0.000 114.600 114.554 0.077 0.000 2.837 1376 T HA -0.090 4.260 4.350 -0.000 0.000 0.248 1376 T C 1.854 176.590 174.700 0.060 0.000 1.033 1376 T CA 2.022 64.168 62.100 0.077 0.000 1.150 1376 T CB -0.452 68.466 68.868 0.082 0.000 0.865 1376 T HN 0.563 nan 8.240 nan 0.000 0.425 1377 T N 1.256 115.835 114.554 0.043 0.000 2.397 1377 T HA -0.401 3.949 4.350 -0.000 0.000 0.236 1377 T C 1.863 176.588 174.700 0.043 0.000 1.393 1377 T CA 2.270 64.389 62.100 0.033 0.000 1.148 1377 T CB -1.434 67.437 68.868 0.004 0.000 0.853 1377 T HN 0.508 nan 8.240 nan 0.000 0.419 1378 Q N 1.422 121.249 119.800 0.044 0.000 2.274 1378 Q HA -0.239 4.100 4.340 -0.000 0.000 0.217 1378 Q C 2.096 178.127 176.000 0.051 0.000 1.008 1378 Q CA 2.377 58.211 55.803 0.050 0.000 0.925 1378 Q CB -0.708 28.067 28.738 0.062 0.000 0.957 1378 Q HN 0.948 nan 8.270 nan 0.000 0.416 1379 G N -3.252 105.580 108.800 0.052 0.000 4.081 1379 G HA2 0.089 4.049 3.960 -0.000 0.000 0.192 1379 G HA3 0.089 4.049 3.960 -0.000 0.000 0.192 1379 G C 0.269 175.198 174.900 0.048 0.000 0.917 1379 G CA 0.313 45.442 45.100 0.048 0.000 0.915 1379 G HN 0.577 nan 8.290 nan 0.000 0.330 1380 G N -0.226 108.604 108.800 0.049 0.000 3.481 1380 G HA2 0.482 4.441 3.960 -0.000 0.000 0.180 1380 G HA3 0.482 4.441 3.960 -0.000 0.000 0.180 1380 G C -0.950 173.983 174.900 0.055 0.000 1.345 1380 G CA -0.300 44.827 45.100 0.045 0.000 1.104 1380 G HN 0.475 nan 8.290 nan 0.000 0.749 1381 L N 2.692 123.938 121.223 0.038 0.000 2.504 1381 L HA 0.357 4.697 4.340 -0.000 0.000 0.249 1381 L C -0.237 176.673 176.870 0.066 0.000 1.120 1381 L CA -0.313 54.558 54.840 0.051 0.000 0.997 1381 L CB 0.994 43.042 42.059 -0.018 0.000 1.349 1381 L HN 0.212 nan 8.230 nan 0.000 0.439 1382 T N 0.858 115.467 114.554 0.091 0.000 2.769 1382 T HA 0.099 4.449 4.350 -0.000 0.000 0.293 1382 T C 0.735 175.523 174.700 0.146 0.000 0.931 1382 T CA -0.195 61.973 62.100 0.113 0.000 1.139 1382 T CB 0.526 69.469 68.868 0.124 0.000 0.881 1382 T HN 0.602 nan 8.240 nan 0.000 0.532 1383 S N 2.339 118.130 115.700 0.151 0.000 2.593 1383 S HA 0.243 4.713 4.470 -0.000 0.000 0.269 1383 S C 0.458 175.220 174.600 0.271 0.000 1.334 1383 S CA -0.973 57.336 58.200 0.181 0.000 1.015 1383 S CB 0.742 64.036 63.200 0.157 0.000 0.912 1383 S HN 0.407 nan 8.310 nan 0.000 0.541 1384 V N 2.525 122.605 119.914 0.277 0.000 2.224 1384 V HA 0.329 4.449 4.120 -0.000 0.000 0.289 1384 V C 0.035 176.391 176.094 0.437 0.000 1.518 1384 V CA -0.176 62.375 62.300 0.419 0.000 1.533 1384 V CB -1.366 30.567 31.823 0.183 0.000 1.460 1384 V HN 1.033 nan 8.190 nan 0.000 0.515 1385 T N 0.030 114.787 114.554 0.338 0.000 2.787 1385 T HA 0.283 4.633 4.350 -0.000 0.000 0.297 1385 T C 1.088 175.723 174.700 -0.109 0.000 1.221 1385 T CA -0.802 61.413 62.100 0.193 0.000 1.006 1385 T CB 1.944 70.921 68.868 0.181 0.000 1.328 1385 T HN 0.415 nan 8.240 nan 0.000 0.509 1386 R N 0.334 120.669 120.500 -0.275 0.000 2.261 1386 R HA -0.185 4.155 4.340 -0.000 0.000 0.236 1386 R C 1.070 177.127 176.300 -0.405 0.000 1.141 1386 R CA 1.732 57.529 56.100 -0.504 0.000 1.001 1386 R CB -0.421 29.533 30.300 -0.576 0.000 0.866 1386 R HN 0.606 nan 8.270 nan 0.000 0.468 1387 H N -0.402 118.589 119.070 -0.132 0.000 2.384 1387 H HA 0.123 4.679 4.556 -0.000 0.000 0.300 1387 H C 1.688 176.976 175.328 -0.066 0.000 1.057 1387 H CA 1.412 57.412 56.048 -0.080 0.000 1.370 1387 H CB 0.008 29.752 29.762 -0.030 0.000 1.417 1387 H HN 0.434 nan 8.280 nan 0.000 0.527 1388 G N 0.515 109.357 108.800 0.069 0.000 2.992 1388 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.195 1388 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.195 1388 G C 1.302 176.220 174.900 0.030 0.000 2.032 1388 G CA 0.352 45.498 45.100 0.077 0.000 0.831 1388 G HN 0.319 nan 8.290 nan 0.000 0.647 1389 F N 1.931 121.935 119.950 0.091 0.000 2.135 1389 F HA -0.224 4.303 4.527 -0.000 0.000 0.300 1389 F C 1.466 177.319 175.800 0.088 0.000 1.074 1389 F CA 1.826 59.874 58.000 0.081 0.000 1.262 1389 F CB -0.872 38.173 39.000 0.075 0.000 1.013 1389 F HN 0.213 nan 8.300 nan 0.000 0.489 1390 N N 0.441 118.626 118.700 -0.859 0.000 2.471 1390 N HA -0.017 4.723 4.740 -0.000 0.000 0.205 1390 N C 1.229 176.623 175.510 -0.193 0.000 1.251 1390 N CA 0.442 53.163 53.050 -0.548 0.000 0.843 1390 N CB -0.315 37.745 38.487 -0.712 0.000 1.044 1390 N HN 0.726 nan 8.380 nan 0.000 0.461 1391 R N -1.945 118.503 120.500 -0.086 0.000 2.531 1391 R HA 0.237 4.577 4.340 -0.000 0.000 0.316 1391 R C 0.398 176.711 176.300 0.022 0.000 0.955 1391 R CA -0.240 55.841 56.100 -0.032 0.000 1.120 1391 R CB -0.184 30.100 30.300 -0.027 0.000 1.361 1391 R HN 0.111 nan 8.270 nan 0.000 0.534 1392 S N 0.840 116.576 115.700 0.061 0.000 2.618 1392 S HA 0.070 4.540 4.470 -0.000 0.000 0.254 1392 S C 0.639 175.278 174.600 0.064 0.000 1.284 1392 S CA -0.176 58.069 58.200 0.076 0.000 0.975 1392 S CB 0.146 63.413 63.200 0.110 0.000 1.022 1392 S HN 0.348 nan 8.310 nan 0.000 0.571 1393 N N 0.760 119.497 118.700 0.063 0.000 2.461 1393 N HA 0.034 4.774 4.740 -0.000 0.000 0.188 1393 N C 0.014 175.558 175.510 0.056 0.000 1.134 1393 N CA 0.366 53.447 53.050 0.053 0.000 0.878 1393 N CB -0.728 37.787 38.487 0.046 0.000 0.972 1393 N HN 0.591 nan 8.380 nan 0.000 0.456 1394 T N 0.672 115.269 114.554 0.072 0.000 2.908 1394 T HA 0.149 4.499 4.350 -0.000 0.000 0.325 1394 T C 1.321 176.061 174.700 0.068 0.000 1.092 1394 T CA -0.116 62.029 62.100 0.074 0.000 1.125 1394 T CB 0.557 69.488 68.868 0.105 0.000 1.016 1394 T HN 0.204 nan 8.240 nan 0.000 0.550 1395 G N 0.022 108.858 108.800 0.059 0.000 2.855 1395 G HA2 0.310 4.270 3.960 -0.000 0.000 0.248 1395 G HA3 0.310 4.270 3.960 -0.000 0.000 0.248 1395 G C 1.129 176.085 174.900 0.093 0.000 1.243 1395 G CA -0.250 44.887 45.100 0.062 0.000 0.881 1395 G HN 0.928 nan 8.290 nan 0.000 0.598 1396 A N -0.071 122.833 122.820 0.140 0.000 1.855 1396 A HA 0.096 4.416 4.320 -0.000 0.000 0.213 1396 A C 2.462 180.136 177.584 0.150 0.000 1.195 1396 A CA 1.030 53.172 52.037 0.176 0.000 0.610 1396 A CB -0.494 18.717 19.000 0.352 0.000 0.837 1396 A HN 0.551 nan 8.150 nan 0.000 0.444 1397 L N -0.828 120.512 121.223 0.197 0.000 2.263 1397 L HA -0.242 4.098 4.340 -0.000 0.000 0.216 1397 L C 2.715 179.636 176.870 0.086 0.000 1.111 1397 L CA 1.750 56.672 54.840 0.136 0.000 0.773 1397 L CB -0.376 41.761 42.059 0.130 0.000 0.906 1397 L HN 0.640 nan 8.230 nan 0.000 0.439 1398 M N -0.316 119.335 119.600 0.086 0.000 2.102 1398 M HA -0.149 4.331 4.480 -0.000 0.000 0.259 1398 M C 2.402 178.774 176.300 0.120 0.000 1.083 1398 M CA 1.513 56.865 55.300 0.087 0.000 1.141 1398 M CB -0.058 32.590 32.600 0.080 0.000 1.318 1398 M HN -0.037 nan 8.290 nan 0.000 0.421 1399 R N -0.289 120.285 120.500 0.123 0.000 2.159 1399 R HA -0.196 4.144 4.340 -0.000 0.000 0.237 1399 R C 2.482 178.838 176.300 0.092 0.000 1.131 1399 R CA 1.450 57.630 56.100 0.133 0.000 0.982 1399 R CB -1.186 29.155 30.300 0.069 0.000 0.868 1399 R HN 0.609 nan 8.270 nan 0.000 0.453 1400 C N 1.333 120.668 119.300 0.059 0.000 2.411 1400 C HA -0.052 4.408 4.460 -0.000 0.000 0.279 1400 C C 1.830 176.843 174.990 0.038 0.000 1.288 1400 C CA 1.140 60.167 59.018 0.014 0.000 1.764 1400 C CB -0.817 26.924 27.740 0.000 0.000 1.974 1400 C HN 0.484 nan 8.230 nan 0.000 0.498 1401 S N -0.535 115.221 115.700 0.092 0.000 3.983 1401 S HA 0.454 4.924 4.470 -0.000 0.000 0.194 1401 S C -0.516 174.233 174.600 0.249 0.000 1.464 1401 S CA -0.352 57.916 58.200 0.113 0.000 1.021 1401 S CB -0.735 62.514 63.200 0.082 0.000 1.424 1401 S HN 0.715 nan 8.310 nan 0.000 0.473 1402 F N 0.668 120.619 119.950 0.002 0.000 3.255 1402 F HA 0.206 4.733 4.527 -0.000 0.000 0.319 1402 F C 0.177 175.966 175.800 -0.018 0.000 0.980 1402 F CA -0.920 57.093 58.000 0.021 0.000 1.387 1402 F CB -0.605 38.439 39.000 0.074 0.000 1.655 1402 F HN 0.449 nan 8.300 nan 0.000 0.819 1403 E N 1.625 121.644 120.200 -0.302 0.000 5.052 1403 E HA -0.284 4.066 4.350 -0.000 0.000 0.167 1403 E C 0.739 177.159 176.600 -0.301 0.000 1.146 1403 E CA 1.996 58.144 56.400 -0.420 0.000 2.262 1403 E CB -0.581 28.637 29.700 -0.805 0.000 1.785 1403 E HN 0.777 nan 8.360 nan 0.000 0.455 1404 E N 0.007 120.041 120.200 -0.277 0.000 2.431 1404 E HA 0.042 4.392 4.350 -0.000 0.000 0.200 1404 E C 1.178 177.669 176.600 -0.182 0.000 0.995 1404 E CA 1.000 57.270 56.400 -0.216 0.000 0.915 1404 E CB 0.456 30.027 29.700 -0.215 0.000 0.930 1404 E HN 0.371 nan 8.360 nan 0.000 0.496 1405 T N 1.315 115.774 114.554 -0.157 0.000 5.690 1405 T HA -0.370 3.980 4.350 -0.000 0.000 0.185 1405 T C 1.793 176.352 174.700 -0.235 0.000 1.700 1405 T CA 2.365 64.370 62.100 -0.158 0.000 1.180 1405 T CB -1.378 67.405 68.868 -0.141 0.000 1.351 1405 T HN 0.048 nan 8.240 nan 0.000 0.460 1406 V N 2.719 122.449 119.914 -0.306 0.000 2.220 1406 V HA -0.285 3.834 4.120 -0.000 0.000 0.250 1406 V C 2.772 178.533 176.094 -0.555 0.000 1.056 1406 V CA 2.901 64.881 62.300 -0.533 0.000 1.016 1406 V CB -1.032 30.441 31.823 -0.583 0.000 0.639 1406 V HN 0.688 nan 8.190 nan 0.000 0.446 1407 E N -0.417 119.586 120.200 -0.328 0.000 2.136 1407 E HA -0.295 4.055 4.350 -0.000 0.000 0.202 1407 E C 2.126 178.670 176.600 -0.093 0.000 1.019 1407 E CA 2.007 58.328 56.400 -0.132 0.000 0.819 1407 E CB -0.315 29.330 29.700 -0.092 0.000 0.739 1407 E HN 0.581 nan 8.360 nan 0.000 0.458 1408 I N 0.734 121.216 120.570 -0.146 0.000 2.202 1408 I HA -0.255 3.914 4.170 -0.000 0.000 0.242 1408 I C 2.455 178.495 176.117 -0.130 0.000 1.091 1408 I CA 0.833 62.064 61.300 -0.115 0.000 1.368 1408 I CB -0.100 37.832 38.000 -0.114 0.000 1.058 1408 I HN 0.153 nan 8.210 nan 0.000 0.410 1409 L N -0.175 120.916 121.223 -0.220 0.000 2.042 1409 L HA -0.266 4.074 4.340 -0.000 0.000 0.210 1409 L C 2.531 179.312 176.870 -0.148 0.000 1.076 1409 L CA 1.660 56.318 54.840 -0.304 0.000 0.749 1409 L CB -0.529 41.300 42.059 -0.383 0.000 0.893 1409 L HN 0.193 nan 8.230 nan 0.000 0.432 1410 F N 0.681 120.557 119.950 -0.123 0.000 2.011 1410 F HA -0.307 4.220 4.527 -0.000 0.000 0.296 1410 F C 2.175 178.027 175.800 0.087 0.000 1.144 1410 F CA 1.134 59.152 58.000 0.030 0.000 1.185 1410 F CB -0.217 38.805 39.000 0.036 0.000 0.961 1410 F HN 0.124 nan 8.300 nan 0.000 0.485 1411 E N 0.077 120.386 120.200 0.181 0.000 2.461 1411 E HA -0.026 4.324 4.350 -0.000 0.000 0.196 1411 E C 1.131 177.679 176.600 -0.088 0.000 1.129 1411 E CA 0.218 56.582 56.400 -0.060 0.000 0.902 1411 E CB -0.034 29.603 29.700 -0.104 0.000 0.963 1411 E HN 0.360 nan 8.360 nan 0.000 0.503 1412 A N 0.076 122.867 122.820 -0.049 0.000 2.229 1412 A HA 0.244 4.564 4.320 -0.000 0.000 0.211 1412 A C 1.987 179.578 177.584 0.012 0.000 1.193 1412 A CA 0.465 52.473 52.037 -0.048 0.000 0.879 1412 A CB 0.382 19.287 19.000 -0.158 0.000 0.911 1412 A HN 0.328 nan 8.150 nan 0.000 0.492 1413 G N -1.143 107.659 108.800 0.003 0.000 2.784 1413 G HA2 0.330 4.290 3.960 -0.000 0.000 0.208 1413 G HA3 0.330 4.290 3.960 -0.000 0.000 0.208 1413 G C 1.395 176.342 174.900 0.079 0.000 1.120 1413 G CA 1.004 46.170 45.100 0.109 0.000 0.774 1413 G HN 0.557 nan 8.290 nan 0.000 0.528 1414 A N 0.755 123.541 122.820 -0.057 0.000 1.968 1414 A HA 0.201 4.521 4.320 -0.000 0.000 0.217 1414 A C 2.165 179.465 177.584 -0.472 0.000 1.169 1414 A CA 1.748 53.569 52.037 -0.360 0.000 0.638 1414 A CB -0.111 18.425 19.000 -0.775 0.000 0.812 1414 A HN 0.200 nan 8.150 nan 0.000 0.446 1415 S N -0.642 114.866 115.700 -0.320 0.000 2.614 1415 S HA 0.457 4.927 4.470 -0.000 0.000 0.230 1415 S C 0.826 175.384 174.600 -0.070 0.000 0.952 1415 S CA 0.355 58.385 58.200 -0.284 0.000 0.949 1415 S CB -0.111 62.953 63.200 -0.226 0.000 0.786 1415 S HN 1.432 nan 8.310 nan 0.000 0.478 1416 A N 1.945 124.777 122.820 0.020 0.000 2.364 1416 A HA -0.227 4.093 4.320 -0.000 0.000 0.288 1416 A C 0.340 177.998 177.584 0.122 0.000 1.433 1416 A CA 0.715 52.836 52.037 0.140 0.000 0.757 1416 A CB -1.531 17.626 19.000 0.262 0.000 1.098 1416 A HN 0.611 nan 8.150 nan 0.000 0.380 1417 E N -1.449 118.836 120.200 0.140 0.000 2.408 1417 E HA 0.392 4.742 4.350 -0.000 0.000 0.259 1417 E C -0.110 176.492 176.600 0.003 0.000 1.110 1417 E CA -0.390 56.078 56.400 0.113 0.000 0.929 1417 E CB 0.562 30.380 29.700 0.196 0.000 0.971 1417 E HN 0.599 nan 8.360 nan 0.000 0.438 1418 L N 2.156 123.358 121.223 -0.036 0.000 2.362 1418 L HA 0.353 4.693 4.340 -0.000 0.000 0.275 1418 L C -1.177 175.622 176.870 -0.119 0.000 0.998 1418 L CA -0.363 54.401 54.840 -0.127 0.000 0.820 1418 L CB 1.835 43.856 42.059 -0.062 0.000 1.270 1418 L HN 0.359 nan 8.230 nan 0.000 0.415 1419 D N 2.719 123.000 120.400 -0.199 0.000 2.344 1419 D HA 0.207 4.846 4.640 -0.000 0.000 0.239 1419 D C 0.109 176.347 176.300 -0.102 0.000 1.064 1419 D CA -0.197 53.724 54.000 -0.131 0.000 0.829 1419 D CB 1.728 42.432 40.800 -0.159 0.000 1.129 1419 D HN 0.599 nan 8.370 nan 0.000 0.506 1420 D N 1.815 122.182 120.400 -0.056 0.000 2.123 1420 D HA -0.129 4.511 4.640 -0.000 0.000 0.196 1420 D C 0.918 177.191 176.300 -0.045 0.000 0.992 1420 D CA 0.828 54.802 54.000 -0.043 0.000 0.833 1420 D CB 0.091 40.876 40.800 -0.024 0.000 0.954 1420 D HN 0.523 nan 8.370 nan 0.000 0.455 1421 C N -0.335 118.941 119.300 -0.041 0.000 4.623 1421 C HA -0.129 4.331 4.460 -0.000 0.000 0.294 1421 C C 1.484 176.459 174.990 -0.026 0.000 1.274 1421 C CA -0.299 58.697 59.018 -0.037 0.000 2.099 1421 C CB -2.528 25.184 27.740 -0.047 0.000 1.221 1421 C HN 0.406 nan 8.230 nan 0.000 0.767 1422 R N 0.342 120.832 120.500 -0.017 0.000 2.282 1422 R HA 0.221 4.561 4.340 -0.000 0.000 0.195 1422 R C 1.423 177.720 176.300 -0.005 0.000 0.909 1422 R CA 0.736 56.830 56.100 -0.010 0.000 1.039 1422 R CB 0.262 30.559 30.300 -0.004 0.000 1.015 1422 R HN 0.601 nan 8.270 nan 0.000 0.513 1423 G N 0.167 108.964 108.800 -0.005 0.000 2.527 1423 G HA2 0.219 4.179 3.960 -0.000 0.000 0.248 1423 G HA3 0.219 4.179 3.960 -0.000 0.000 0.248 1423 G C 1.111 176.001 174.900 -0.016 0.000 1.231 1423 G CA -0.611 44.487 45.100 -0.004 0.000 0.838 1423 G HN -0.117 nan 8.290 nan 0.000 0.570 1424 V N 1.876 121.774 119.914 -0.026 0.000 2.237 1424 V HA -0.215 3.905 4.120 -0.000 0.000 0.245 1424 V C 3.037 179.114 176.094 -0.028 0.000 1.046 1424 V CA 2.472 64.749 62.300 -0.038 0.000 1.007 1424 V CB -1.068 30.723 31.823 -0.052 0.000 0.638 1424 V HN 0.723 nan 8.190 nan 0.000 0.445 1425 S N -0.130 115.559 115.700 -0.018 0.000 2.389 1425 S HA -0.283 4.187 4.470 -0.000 0.000 0.231 1425 S C 1.877 176.476 174.600 -0.002 0.000 1.052 1425 S CA 1.803 59.999 58.200 -0.006 0.000 1.053 1425 S CB -0.506 62.701 63.200 0.013 0.000 0.886 1425 S HN 0.676 nan 8.310 nan 0.000 0.456 1426 E N 2.021 122.221 120.200 0.000 0.000 2.055 1426 E HA -0.187 4.163 4.350 -0.000 0.000 0.209 1426 E C 1.761 178.353 176.600 -0.012 0.000 1.036 1426 E CA 1.216 57.615 56.400 -0.002 0.000 0.849 1426 E CB -0.854 28.840 29.700 -0.010 0.000 0.767 1426 E HN 0.567 nan 8.360 nan 0.000 0.461 1427 N N 0.639 119.326 118.700 -0.022 0.000 2.309 1427 N HA -0.084 4.656 4.740 -0.000 0.000 0.182 1427 N C 2.033 177.527 175.510 -0.027 0.000 1.018 1427 N CA 0.749 53.783 53.050 -0.028 0.000 0.876 1427 N CB -0.007 38.458 38.487 -0.036 0.000 0.972 1427 N HN 0.005 nan 8.380 nan 0.000 0.434 1428 V N 1.933 121.831 119.914 -0.025 0.000 2.407 1428 V HA -0.165 3.955 4.120 -0.000 0.000 0.248 1428 V C 2.235 178.318 176.094 -0.019 0.000 1.055 1428 V CA 1.213 63.497 62.300 -0.026 0.000 1.049 1428 V CB -0.329 31.479 31.823 -0.025 0.000 0.662 1428 V HN 0.217 nan 8.190 nan 0.000 0.455 1429 I N -0.717 119.847 120.570 -0.010 0.000 2.353 1429 I HA -0.174 3.996 4.170 -0.000 0.000 0.248 1429 I C 2.144 178.257 176.117 -0.007 0.000 1.119 1429 I CA 1.369 62.667 61.300 -0.004 0.000 1.417 1429 I CB -0.213 37.792 38.000 0.009 0.000 1.078 1429 I HN 0.236 nan 8.210 nan 0.000 0.421 1430 L N 0.412 121.628 121.223 -0.012 0.000 2.341 1430 L HA 0.120 4.460 4.340 -0.000 0.000 0.214 1430 L C 1.422 178.280 176.870 -0.020 0.000 1.115 1430 L CA 0.699 55.530 54.840 -0.016 0.000 0.820 1430 L CB -0.400 41.646 42.059 -0.021 0.000 0.944 1430 L HN 0.512 nan 8.230 nan 0.000 0.452 1431 G N 0.676 109.462 108.800 -0.023 0.000 2.171 1431 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.238 1431 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.238 1431 G C -0.117 174.765 174.900 -0.030 0.000 1.039 1431 G CA -0.212 44.872 45.100 -0.027 0.000 0.759 1431 G HN 0.449 nan 8.290 nan 0.000 0.501 1432 Q N -0.814 118.967 119.800 -0.032 0.000 2.394 1432 Q HA 0.633 4.973 4.340 -0.000 0.000 0.273 1432 Q C 0.390 176.364 176.000 -0.042 0.000 1.089 1432 Q CA -1.118 54.664 55.803 -0.035 0.000 0.812 1432 Q CB 1.936 30.655 28.738 -0.032 0.000 1.353 1432 Q HN 0.392 nan 8.270 nan 0.000 0.438 1433 M N 1.912 121.484 119.600 -0.047 0.000 2.260 1433 M HA 0.191 4.671 4.480 -0.000 0.000 0.348 1433 M C -0.741 175.520 176.300 -0.066 0.000 1.342 1433 M CA 0.274 55.538 55.300 -0.060 0.000 1.040 1433 M CB 0.327 32.887 32.600 -0.067 0.000 1.810 1433 M HN 0.826 nan 8.290 nan 0.000 0.453 1434 A N 6.715 129.491 122.820 -0.073 0.000 2.295 1434 A HA 0.624 4.944 4.320 -0.000 0.000 0.318 1434 A C -2.448 175.080 177.584 -0.093 0.000 1.134 1434 A CA -1.638 50.356 52.037 -0.071 0.000 0.827 1434 A CB 0.082 19.044 19.000 -0.063 0.000 1.136 1434 A HN 0.659 nan 8.150 nan 0.000 0.493 1435 P HA 0.200 nan 4.420 nan 0.000 0.245 1435 P C -1.134 176.104 177.300 -0.105 0.000 1.670 1435 P CA 1.042 64.088 63.100 -0.089 0.000 1.146 1435 P CB -0.532 31.144 31.700 -0.039 0.000 1.954 1436 I N 0.471 120.954 120.570 -0.144 0.000 2.548 1436 I HA 0.290 4.460 4.170 -0.000 0.000 0.287 1436 I C 1.317 177.330 176.117 -0.174 0.000 1.103 1436 I CA -0.641 60.572 61.300 -0.145 0.000 1.049 1436 I CB 1.943 39.871 38.000 -0.119 0.000 1.232 1436 I HN 0.340 nan 8.210 nan 0.000 0.429 1437 G N 4.386 113.087 108.800 -0.164 0.000 2.684 1437 G HA2 -0.421 3.539 3.960 -0.000 0.000 0.358 1437 G HA3 -0.421 3.539 3.960 -0.000 0.000 0.358 1437 G C 1.036 175.808 174.900 -0.214 0.000 1.164 1437 G CA 1.501 46.522 45.100 -0.132 0.000 0.935 1437 G HN 0.532 nan 8.290 nan 0.000 0.574 1438 T N 1.204 115.651 114.554 -0.178 0.000 2.751 1438 T HA -0.040 4.310 4.350 -0.000 0.000 0.268 1438 T C 1.981 176.346 174.700 -0.557 0.000 1.045 1438 T CA 2.441 64.396 62.100 -0.241 0.000 1.142 1438 T CB -0.465 68.330 68.868 -0.122 0.000 0.851 1438 T HN 1.403 nan 8.240 nan 0.000 0.474 1439 G N -0.466 108.053 108.800 -0.469 0.000 3.690 1439 G HA2 0.475 4.435 3.960 -0.000 0.000 0.283 1439 G HA3 0.475 4.435 3.960 -0.000 0.000 0.283 1439 G C 0.923 175.551 174.900 -0.453 0.000 1.057 1439 G CA 0.303 45.124 45.100 -0.464 0.000 0.821 1439 G HN 0.494 nan 8.290 nan 0.000 0.526 1440 A N 0.363 122.843 122.820 -0.568 0.000 2.291 1440 A HA 0.607 4.927 4.320 -0.000 0.000 0.220 1440 A C 0.259 177.821 177.584 -0.038 0.000 1.262 1440 A CA 0.038 51.920 52.037 -0.257 0.000 0.867 1440 A CB -0.739 18.140 19.000 -0.203 0.000 0.888 1440 A HN 0.754 nan 8.150 nan 0.000 0.487 1441 F N -4.299 115.706 119.950 0.092 0.000 2.926 1441 F HA 0.693 5.220 4.527 -0.000 0.000 0.321 1441 F C -1.547 174.302 175.800 0.081 0.000 1.168 1441 F CA -2.077 56.005 58.000 0.138 0.000 0.890 1441 F CB 0.342 39.485 39.000 0.239 0.000 1.357 1441 F HN -0.185 nan 8.300 nan 0.000 0.468 1442 D N 0.632 121.293 120.400 0.435 0.000 2.419 1442 D HA 0.662 5.302 4.640 -0.000 0.000 0.234 1442 D C -1.217 175.251 176.300 0.280 0.000 1.014 1442 D CA -0.208 53.955 54.000 0.271 0.000 0.919 1442 D CB 2.670 43.558 40.800 0.146 0.000 1.366 1442 D HN 0.716 nan 8.370 nan 0.000 0.490 1443 V N -0.862 119.170 119.914 0.197 0.000 2.604 1443 V HA 0.769 4.889 4.120 -0.000 0.000 0.305 1443 V C -0.369 175.776 176.094 0.086 0.000 1.043 1443 V CA -0.724 61.660 62.300 0.139 0.000 0.888 1443 V CB 1.631 33.544 31.823 0.149 0.000 0.995 1443 V HN 0.456 nan 8.190 nan 0.000 0.429 1444 M N 4.482 124.119 119.600 0.062 0.000 2.446 1444 M HA 0.599 5.079 4.480 -0.000 0.000 0.294 1444 M C -1.341 174.985 176.300 0.042 0.000 1.158 1444 M CA -0.608 54.721 55.300 0.048 0.000 0.899 1444 M CB 2.541 35.165 32.600 0.040 0.000 1.687 1444 M HN 0.650 nan 8.290 nan 0.000 0.455 1445 I N 0.961 121.556 120.570 0.041 0.000 2.421 1445 I HA 0.127 4.297 4.170 -0.000 0.000 0.291 1445 I C 0.171 176.309 176.117 0.035 0.000 1.089 1445 I CA 0.033 61.359 61.300 0.044 0.000 1.354 1445 I CB -0.479 37.545 38.000 0.041 0.000 1.413 1445 I HN 0.467 nan 8.210 nan 0.000 0.513 1446 D N 5.798 126.219 120.400 0.036 0.000 2.470 1446 D HA -0.024 4.616 4.640 -0.000 0.000 0.226 1446 D C 1.273 177.579 176.300 0.010 0.000 1.196 1446 D CA 0.051 54.062 54.000 0.018 0.000 0.979 1446 D CB 0.420 41.228 40.800 0.013 0.000 1.059 1446 D HN 0.564 nan 8.370 nan 0.000 0.515 1447 E N 2.866 123.071 120.200 0.008 0.000 2.301 1447 E HA -0.271 4.079 4.350 -0.000 0.000 0.202 1447 E C 1.021 177.609 176.600 -0.020 0.000 1.017 1447 E CA 1.000 57.401 56.400 0.002 0.000 0.831 1447 E CB 0.345 30.046 29.700 0.002 0.000 0.742 1447 E HN 0.703 nan 8.360 nan 0.000 0.491 1448 E N -0.077 120.103 120.200 -0.032 0.000 2.001 1448 E HA -0.146 4.203 4.350 -0.000 0.000 0.195 1448 E C 2.010 178.543 176.600 -0.112 0.000 1.002 1448 E CA 1.749 58.114 56.400 -0.059 0.000 0.819 1448 E CB -0.045 29.622 29.700 -0.054 0.000 0.769 1448 E HN 0.293 nan 8.360 nan 0.000 0.454 1449 S N 0.717 116.331 115.700 -0.143 0.000 2.493 1449 S HA -0.169 4.301 4.470 -0.000 0.000 0.243 1449 S C 1.603 175.990 174.600 -0.354 0.000 0.991 1449 S CA 0.527 58.530 58.200 -0.329 0.000 0.957 1449 S CB -0.149 62.890 63.200 -0.269 0.000 0.756 1449 S HN 0.247 nan 8.310 nan 0.000 0.521 1450 L N 1.249 122.416 121.223 -0.092 0.000 2.682 1450 L HA 0.382 4.722 4.340 -0.000 0.000 0.240 1450 L C 0.771 177.640 176.870 -0.001 0.000 1.178 1450 L CA 0.301 55.157 54.840 0.027 0.000 0.970 1450 L CB -0.082 42.011 42.059 0.057 0.000 1.179 1450 L HN 0.197 nan 8.230 nan 0.000 0.435 1451 V N -2.098 117.769 119.914 -0.079 0.000 3.359 1451 V HA 0.077 4.197 4.120 -0.000 0.000 0.270 1451 V C 1.781 177.829 176.094 -0.076 0.000 1.583 1451 V CA 0.005 62.277 62.300 -0.046 0.000 1.019 1451 V CB 0.265 32.063 31.823 -0.042 0.000 0.831 1451 V HN 0.265 nan 8.190 nan 0.000 0.426 1452 K N -0.043 120.240 120.400 -0.196 0.000 2.418 1452 K HA 0.128 4.448 4.320 -0.000 0.000 0.195 1452 K C -0.091 176.435 176.600 -0.124 0.000 1.035 1452 K CA 0.634 56.791 56.287 -0.216 0.000 1.003 1452 K CB 0.099 32.385 32.500 -0.356 0.000 0.793 1452 K HN 0.507 nan 8.250 nan 0.000 0.494 1453 Y N 2.085 122.385 120.300 0.000 0.000 2.907 1453 Y HA 0.233 4.783 4.550 -0.000 0.000 0.332 1453 Y C -0.133 175.768 175.900 0.002 0.000 1.211 1453 Y CA -0.990 57.110 58.100 0.001 0.000 1.387 1453 Y CB -0.029 38.432 38.460 0.002 0.000 1.396 1453 Y HN -0.018 nan 8.280 nan 0.000 0.519 1454 M N 1.433 121.117 119.600 0.140 0.000 2.479 1454 M HA 0.395 4.875 4.480 -0.000 0.000 0.192 1454 M C -3.112 173.219 176.300 0.052 0.000 0.939 1454 M CA -1.354 53.994 55.300 0.080 0.000 0.822 1454 M CB 0.468 33.104 32.600 0.060 0.000 2.615 1454 M HN 0.080 nan 8.290 nan 0.000 0.412 1455 P HA 0.000 nan 4.420 nan 0.000 0.216 1455 P CA 0.000 63.117 63.100 0.029 0.000 0.800 1455 P CB 0.000 31.715 31.700 0.024 0.000 0.726